Datasets:
SMILES
stringlengths 12
1.04k
| aminoseq
stringlengths 2
50
| inertia_mass_a
float64 0.33
5.89k
| inertia_mass_b
float64 0.31
5.72k
| inertia_mass_c
float64 0.08
540
| inertia_valence_a
float64 0.39
5.97k
| inertia_valence_b
float64 0.36
5.87k
| inertia_valence_c
float64 0.03
452
| length_a
float64 0.49
11.8
| length_b
float64 0.23
4.74
| length_c
float64 0.16
3.35
| spherocity
float64 0.01
0.88
| plane_best_fit
float64 0.37
5.43
|
---|---|---|---|---|---|---|---|---|---|---|---|---|
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C=O)C(C)C)C(C)C | VKLkVyPLKVKLyP | 52.685814 | 40.811127 | 27.02651 | 71.094393 | 57.95795 | 37.318991 | 2.155146 | 1.656084 | 1.258256 | 0.377793 | 1.932336 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O)C(C)C)C(C)C)C(C)C | DVAHGILNEAYRKVLDQLSAGKHLQSLVARGVGGSLGGGAGDDAEPLS | 1,292.606391 | 1,115.281483 | 279.06256 | 1,124.238848 | 953.102121 | 262.429803 | 5.770156 | 3.126547 | 1.839625 | 0.112756 | 3.042486 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C | FAVGLRAIKRALKKLRRGVRKVAKDL | 301.299338 | 289.180057 | 42.928412 | 346.23546 | 328.863569 | 60.938556 | 3.997785 | 1.751966 | 1.202204 | 0.147835 | 2.182571 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2 | AVCNLARCQLSCASLGLLGKCIGDKCECVKH | 172.2895 | 143.859176 | 77.796122 | 170.538007 | 141.783458 | 84.752377 | 3.076665 | 2.012422 | 1.852733 | 0.377222 | 2.4584 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)C(C)C | GKPRPYSPRPTSHPRPIRV | 108.919826 | 100.495536 | 28.84763 | 121.013274 | 112.302359 | 34.625669 | 2.910591 | 1.477063 | 1.12537 | 0.259958 | 2.037457 |
N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)N[C@H](C=O)CS | CGEGHPC | 6.86499 | 6.349032 | 5.613838 | 5.804198 | 5.028102 | 4.332877 | 0.957845 | 0.869599 | 0.798325 | 0.775073 | 1.78009 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC | GIMSIVKDVAKTAAKEAAKGALSTLSCKLAKTC | 282.71607 | 260.806556 | 77.571346 | 298.191439 | 276.463042 | 90.434462 | 3.128965 | 2.009014 | 1.608039 | 0.275085 | 2.68918 |
C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CCC(N)=O | RCCTWQECDGNCRCCQ | 64.636106 | 59.696477 | 27.043379 | 48.009047 | 44.939562 | 20.727532 | 2.259968 | 1.303892 | 1.27832 | 0.42485 | 2.176246 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(N)=O)[C@@H](C)CC)[C@@H](C)CC | LNWGAILKKIIK | 39.410356 | 38.340538 | 15.117185 | 50.727892 | 46.501673 | 23.719393 | 1.98024 | 1.292712 | 1.098902 | 0.461193 | 2.135028 |
CSCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)CSSC[C@@H]2NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC2=O | ATCDLLSMWNVNHSACAAHCLLLGKSGGRCNDDAVCVCRK | 276.510626 | 225.385995 | 141.224353 | 250.739451 | 215.886175 | 128.574241 | 3.063783 | 2.346371 | 1.962373 | 0.427756 | 3.078885 |
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NC(CC1CNCN1)C(O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CC(C)C | RCCISPACHKDCYCCL | 51.056288 | 42.757526 | 31.148764 | 51.62174 | 42.350093 | 31.745527 | 1.879414 | 1.672247 | 1.191611 | 0.576603 | 2.387473 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(O)C(CC1CNCN1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N[C@@H](CC(C)C)C(N)=O | FLSLIPHAINAISAIAHHL | 75.871433 | 60.684673 | 37.394055 | 87.43396 | 76.419096 | 44.062283 | 2.100739 | 1.771795 | 1.291969 | 0.386532 | 2.237088 |
NC(=[NH2+])NCCC[C@@H](C=O)NC(O)C(CC1CNCN1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1ccccc1 | FRWWHR | 16.235425 | 13.512243 | 11.217825 | 16.668596 | 13.241159 | 10.891605 | 1.328385 | 1.092428 | 0.91405 | 0.623641 | 2.045915 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O | GWGSFFKKAAAVGKAVGKAALTAYL | 259.286686 | 245.876859 | 30.605541 | 254.771566 | 236.916227 | 38.380006 | 3.585141 | 1.56748 | 0.89717 | 0.097078 | 1.760502 |
CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C=O)C(C)C | ALGTLLKGVGSAVATVGKMVADQFGKLLQA | 115.48844 | 103.251435 | 69.164366 | 138.615574 | 116.404549 | 85.401335 | 2.254928 | 1.897344 | 1.56023 | 0.585948 | 2.947753 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O | GIGTKILGGVKTALKGALKELAFTYVN | 114.973979 | 111.028499 | 47.648488 | 135.473099 | 128.227396 | 57.134795 | 2.674359 | 1.529634 | 1.603659 | 0.479533 | 2.735796 |
CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12 | MRW | 5.261649 | 4.756751 | 2.037731 | 5.639089 | 5.283387 | 2.2836 | 1.11544 | 0.640026 | 0.573329 | 0.408562 | 1.24619 |
CC(C)[C@H](N)C(=O)N[C@H](C=O)CCC(N)=O | VQ | 1.159653 | 0.992507 | 0.433304 | 1.542186 | 1.455763 | 0.408233 | 0.720445 | 0.402615 | 0.288629 | 0.301116 | 0.739633 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(O)C(CC1CNCN1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C=O | NKLAYNMGHYAGKATIFGLAAWALLA | 197.691368 | 183.002026 | 56.118304 | 192.78217 | 180.577974 | 57.42563 | 3.048006 | 1.785265 | 1.480153 | 0.284369 | 2.593379 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3)NC2=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C | ACSRGSRCPPQCCMGLRCGRGNPQKCIGAHEDV | 226.977942 | 171.449792 | 107.72585 | 187.80606 | 143.777216 | 97.636458 | 3.051873 | 2.552008 | 1.471824 | 0.310994 | 2.598905 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O | PAIAQRATATLGTVGSNTSGTTEIEACILL | 95.019526 | 84.27583 | 80.291364 | 104.099309 | 89.017223 | 80.849609 | 1.825412 | 1.925038 | 1.720818 | 0.796473 | 3.237784 |
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CS | CLALNMSYC | 27.988619 | 25.629349 | 7.147331 | 26.720763 | 23.739542 | 7.391161 | 2.134023 | 1.15584 | 0.775261 | 0.23251 | 1.310815 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C | ESVFSKIGNAVGPAAYWILKGLGNMSDVNQADRINRKKH | 884.658228 | 817.415811 | 123.155202 | 823.155707 | 761.862618 | 123.75557 | 5.838764 | 2.406459 | 1.465415 | 0.091443 | 2.327172 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCC(=O)O | FWGTLAKLALKAVPAVMGMIKKE | 187.148009 | 180.257506 | 44.650125 | 196.351928 | 191.048013 | 55.048316 | 3.067912 | 1.583058 | 1.537988 | 0.273768 | 2.591061 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NC(CC1CNCN1)C(O)NCC=O)C(C)C)[C@@H](C)O | AIPALGTNVKKRRHG | 100.118925 | 94.256253 | 15.599023 | 119.786268 | 111.229449 | 21.851975 | 3.012297 | 1.40376 | 0.956906 | 0.140302 | 1.601219 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C=O)CS)[C@@H](C)O | CNLLRQQTC | 19.152442 | 18.909804 | 9.361423 | 18.535337 | 18.178381 | 11.148431 | 1.771631 | 1.126835 | 1.110379 | 0.587009 | 1.925571 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C=O)CS)C(C)C | CIEGVLGGC | 13.758431 | 11.84032 | 6.506184 | 12.013717 | 10.98755 | 6.27469 | 1.283148 | 0.961395 | 0.754652 | 0.455415 | 1.565221 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C | LKWKSIVSWAKKVL | 64.374578 | 62.243111 | 18.360063 | 76.577984 | 74.329754 | 28.059718 | 2.300035 | 1.350274 | 1.18881 | 0.342381 | 2.056236 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CO)C(C)C)C(C)C)[C@@H](C)O | MGYILPALSQQTCCVRPWCDGACDCCVDS | 120.718999 | 107.344289 | 79.695843 | 113.942679 | 95.74699 | 70.013987 | 2.473421 | 2.011202 | 1.716212 | 0.609548 | 2.811927 |
CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CN)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC1=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 | GADRCRERCERRHRGDWQGKQRCLMECRRREQEED | 303.660376 | 257.596146 | 139.527427 | 246.425802 | 203.405177 | 121.307755 | 3.393618 | 2.397063 | 1.817052 | 0.39868 | 3.005452 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC2=O | SISCGESCVYIPCTVTALVGCTCKDKVCYLN | 142.287916 | 103.61716 | 84.849918 | 143.328806 | 93.792014 | 88.471325 | 2.395139 | 2.135277 | 1.35305 | 0.407339 | 2.465042 |
CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(O)C(CC2CNCN2)NC(O)C(CC2CNCN2)NC(O)C(N)CSSCC(CO)NC(=O)[C@H](C)NC(O)C(CC2CNCN2)NC(=O)[C@H]([C@@H](C)O)NC1=O | CHHNLTHAC | 26.271472 | 23.524068 | 7.40587 | 30.53246 | 27.723582 | 8.307161 | 1.845913 | 1.087645 | 0.8425 | 0.243443 | 1.318388 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC | ADVILMCFSIDSPDSLENI | 89.557527 | 62.608158 | 42.073066 | 85.448993 | 61.248384 | 43.90584 | 2.425289 | 1.873753 | 1.030575 | 0.239574 | 1.78024 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)CC)CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CO)C(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N2 | GSIPCGESCVFIPCISAVIGCSCSNKVCYKN | 138.044128 | 107.29008 | 71.834325 | 139.523655 | 103.923932 | 72.17873 | 2.545359 | 2.193575 | 1.343388 | 0.377264 | 2.391302 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=[NH2+])[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CO | RPPGFTPFRIAPAS | 47.973947 | 40.43633 | 17.248951 | 48.864728 | 42.76065 | 18.914964 | 1.936562 | 1.358245 | 0.916946 | 0.272302 | 1.680093 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | LAVRGCCSHPACAGNNPHICGRRR | 124.380141 | 105.576849 | 41.839322 | 122.227977 | 100.979437 | 46.71423 | 2.571657 | 1.652954 | 1.048891 | 0.251827 | 2.018442 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N3)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)[C@@H](C)O | GKNPTLQCMGNRGFCRPSCKKGEQAYFYCRTYQICCLQSHVRISLTGVED | 505.222429 | 449.712285 | 229.486604 | 478.49236 | 417.422488 | 209.20977 | 3.597458 | 2.581719 | 2.193747 | 0.429925 | 3.647293 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(O)C(N)CC1CNCN1 | HCKFWL | 23.149978 | 20.759306 | 6.073601 | 28.126507 | 23.663424 | 7.975031 | 1.940397 | 1.082038 | 0.816062 | 0.230285 | 1.258418 |
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C=O)[C@@H](C)O)C(C)C | AWLVTCP | 13.123874 | 8.186636 | 7.26424 | 15.175039 | 10.261419 | 7.564067 | 1.266804 | 1.2095 | 0.564217 | 0.227966 | 1.07046 |
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCC[NH3+])C(C)C | YVVFK | 10.295517 | 8.015116 | 4.02687 | 11.975361 | 8.920191 | 5.328925 | 1.39237 | 0.980265 | 0.529205 | 0.233437 | 1.074115 |
CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C=O | SVSVGMKPSPRP | 33.057768 | 29.029179 | 13.167205 | 37.136605 | 32.433449 | 16.713171 | 1.873814 | 1.289388 | 0.851729 | 0.364378 | 1.894596 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC1CNCN1)C(O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O | KWKSFIKKLTDKFLHSAKKF | 212.797953 | 208.002869 | 26.532086 | 233.45461 | 223.121808 | 40.664838 | 3.840914 | 1.526899 | 1.284509 | 0.145934 | 1.94378 |
CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(C)C)[C@@H](C)CC)C(C)C | IVWKIKRWWVGR | 47.495877 | 37.165182 | 28.038177 | 56.974577 | 40.275113 | 35.845944 | 1.880659 | 1.820374 | 1.119974 | 0.469461 | 2.306009 |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C | DPFFKVPVNKLAAAVSNFGYDLYRVRSSTSPTTN | 510.832207 | 504.102852 | 60.459585 | 477.65544 | 467.019533 | 62.821683 | 4.371496 | 1.750133 | 1.530661 | 0.148255 | 2.382773 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC | ISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPW | 2,091.790125 | 2,024.712078 | 154.033919 | 1,951.243554 | 1,888.523187 | 145.298294 | 8.190537 | 2.471556 | 1.866181 | 0.060045 | 2.598189 |
C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | RSCAEPWCY | 21.636894 | 18.168066 | 10.675997 | 17.227073 | 15.03534 | 9.07863 | 1.479827 | 1.230377 | 0.816089 | 0.433947 | 1.730389 |
CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CS[SH]3C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC)C(=O)N[C@H](C=O)CCCCN)CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N2 | KSCCRNTWARNCYNVCRLPGTISREICAKKCRCKIISGTTCPSDYPK | 345.561209 | 298.018037 | 179.224813 | 325.745713 | 291.1327 | 176.995465 | 3.146296 | 2.441508 | 2.112012 | 0.483731 | 3.355808 |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(O)C(CC1CCCC2CCCCC21)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(N)=O)C(C)C)C(C)C | VN-Nal-KKLLGKLLKVVK | 68.577223 | 56.911069 | 30.904192 | 94.372996 | 79.4648 | 49.69476 | 2.137034 | 1.720781 | 1.318307 | 0.379535 | 2.160811 |
CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C | VAPFPEVF | 16.255732 | 14.779668 | 7.263567 | 16.527996 | 14.827794 | 7.976797 | 1.567415 | 0.887534 | 0.772351 | 0.455069 | 1.733477 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | YLYEIARR | 23.890772 | 18.793636 | 11.919225 | 24.058642 | 21.174043 | 11.916748 | 1.522091 | 1.367462 | 0.908634 | 0.380403 | 1.754931 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C | FSISPGKVLDKFGKIVGKVLKQLKKVSAVAKV | 468.993716 | 461.114035 | 41.953046 | 502.35093 | 497.665478 | 58.324142 | 4.585525 | 1.618831 | 1.356284 | 0.107935 | 2.067883 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+])C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C=O)C(C)C | KKKKVVLPTYVLV | 30.603437 | 29.780436 | 21.000705 | 47.401273 | 43.946843 | 32.691557 | 1.711918 | 1.492193 | 1.377308 | 0.738594 | 2.444586 |
CSCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC1=O | PAARKAARWAWRMLKKGA | 77.185898 | 63.963657 | 38.334263 | 91.387563 | 77.626566 | 43.227367 | 2.304652 | 1.62099 | 1.239703 | 0.408617 | 2.332031 |
CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C=O)CCC(N)=O)[C@@H](C)O | APTSPGTPGVAAATQ | 33.759782 | 27.513514 | 14.235596 | 32.716563 | 25.569617 | 15.76161 | 1.861395 | 1.417888 | 0.96865 | 0.31567 | 1.58578 |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(N)=O | QADPKTFYGLM | 43.818713 | 40.784646 | 10.17362 | 43.485106 | 40.251615 | 10.358516 | 2.240724 | 1.159941 | 0.849093 | 0.230662 | 1.577109 |
CCSC.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C | ENAEEDIVLMENLFCSYIVGSADSFWT | 115.920738 | 110.992562 | 71.087809 | 105.098025 | 97.11888 | 68.994609 | 2.463324 | 1.889929 | 1.584601 | 0.674363 | 3.134453 |
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C | ADLEVVAATYVDVA | 61.306302 | 57.399325 | 12.898662 | 59.795282 | 56.370777 | 15.206711 | 2.437965 | 1.27183 | 0.838987 | 0.206582 | 1.6479 |
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+] | RRRRRRRR | 67.505234 | 63.443693 | 21.512064 | 80.394626 | 75.301533 | 28.167465 | 2.771672 | 1.58889 | 1.486806 | 0.341747 | 2.0911 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)O)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC1=O | DCYCRIPACIAGERRYGTCIYQGRLWAFCC | 163.665051 | 159.464325 | 76.31226 | 144.192809 | 135.225106 | 68.473764 | 2.636926 | 1.672287 | 1.867304 | 0.53799 | 2.977106 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)[C@@H](C)O | WDAYDCIQFCMRPEMRHTYAQCLSICT | 187.893963 | 180.877866 | 74.068556 | 163.912681 | 155.239749 | 64.783439 | 2.920545 | 2.048782 | 1.748986 | 0.463211 | 2.853861 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N3)NC(=O)[C@H](CO)NC2=O | GGTIFDCGETCFLGTCYTPGCSCGNYGFCYGTN | 138.071058 | 126.730359 | 78.060947 | 116.210005 | 104.93282 | 61.866055 | 2.832852 | 1.856102 | 1.608678 | 0.581717 | 3.017485 |
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)[C@@H](C)O)[C@@H](C)O | SEDVVSSSMSYTFT | 37.794897 | 31.349745 | 21.376843 | 32.969563 | 26.245915 | 20.143546 | 1.986223 | 1.536914 | 0.979157 | 0.469991 | 2.050148 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O)C(C)C)C(C)C | GWLKKFGKKIERVGQHTRDATIQAIGVAQQAANVAATLKG | 675.521184 | 545.103888 | 187.154498 | 693.120431 | 569.966539 | 195.225744 | 4.559588 | 2.940321 | 1.60867 | 0.122119 | 2.353075 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C)[C@@H](C)CC | AVAVVGQATQIAKKWKLFKKIEKVGQ | 195.865876 | 177.726233 | 45.817753 | 219.861244 | 198.746475 | 57.417907 | 3.269712 | 1.850432 | 1.203423 | 0.202807 | 2.053744 |
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC(CC1CNCN1)C(O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CS | APGCCNNPACVKHRC | 32.7034 | 29.600996 | 22.405995 | 31.587214 | 28.782222 | 24.246038 | 1.691151 | 1.313218 | 1.152309 | 0.707534 | 2.437385 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC | GILDAIKAFANALG | 47.957495 | 44.532815 | 11.67994 | 49.03214 | 45.841319 | 15.627629 | 2.367281 | 1.100941 | 0.968312 | 0.246694 | 1.641134 |
CCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CO)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C | PPDEGYPPMRMQVPPLGGRIILVRVLLHLNKIRIRAREIYES | 377.645708 | 315.123904 | 147.860114 | 373.451928 | 320.046475 | 155.865552 | 3.154227 | 2.356006 | 1.557326 | 0.303914 | 2.794398 |
CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O | KLALKAALKAWKAAAKLA | 96.082383 | 85.347157 | 22.279294 | 123.165036 | 108.361589 | 34.109389 | 2.776404 | 1.516541 | 0.959955 | 0.172565 | 1.679182 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(N)=O)C(C)C)[C@@H](C)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O | KICCPSNQARNGYSVCRIRFSKGRCMQVSGCQNSDTCPRGWVN | 301.995913 | 234.891361 | 155.722923 | 271.405383 | 220.746218 | 135.567782 | 3.130004 | 2.861913 | 1.667045 | 0.387299 | 2.935307 |
CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C=O)C(C)C | EMPFPKYPVEP | 32.399871 | 30.819476 | 15.303106 | 30.766293 | 30.373426 | 16.4685 | 1.933475 | 1.07114 | 1.152037 | 0.535287 | 2.112951 |
CC(C)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NC(CO)CCC[NH3+] | KVPO | 7.17044 | 6.663609 | 1.481028 | 11.999354 | 11.202414 | 2.481009 | 1.417218 | 0.693389 | 0.529439 | 0.187747 | 0.972015 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(O)C(CC1CNCN1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC=O)[C@@H](C)CC)[C@@H](C)O | NTTHYRVIRLTIG | 38.952746 | 36.053109 | 19.82991 | 45.343547 | 38.760218 | 25.545589 | 1.895356 | 1.273343 | 1.186679 | 0.538927 | 2.223456 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)Cc1ccccc1 | INF | 4.567958 | 3.315475 | 1.890316 | 4.772066 | 3.517345 | 1.90377 | 1.058694 | 0.789143 | 0.40256 | 0.183262 | 0.809695 |
CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC=O)C(C)C)C(C)C | LVSFRYEDQGPLVEG | 72.470567 | 64.318627 | 25.465721 | 75.428316 | 69.670385 | 24.244803 | 2.669349 | 1.438052 | 1.282956 | 0.325997 | 2.075165 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C | FLFPLIASFLGKVL | 41.872529 | 33.648478 | 20.934988 | 52.64007 | 43.512451 | 28.067807 | 1.929368 | 1.524157 | 1.236874 | 0.403377 | 1.89463 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)C(C)C)C(C)C | VRLIRAVRAWRV | 40.486677 | 33.746773 | 19.33882 | 53.81071 | 44.845826 | 25.652027 | 2.108147 | 1.540373 | 1.069333 | 0.40331 | 1.920096 |
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)O | SPWSPCSGNCSTGKQQRTR | 108.70433 | 103.616993 | 23.452773 | 102.783283 | 97.870067 | 22.290829 | 2.71248 | 1.173129 | 1.131995 | 0.220672 | 1.902106 |
CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC=O)[C@@H](C)CC)C(C)C)C(C)C | YSSKDCLKDIGKGIGAGTVAGAAGGGLAAGLGAIPGAFVGAHFGVIGG | 246.166523 | 216.654355 | 164.875889 | 232.007167 | 202.660709 | 155.368344 | 2.909571 | 2.19677 | 1.87093 | 0.647242 | 3.797442 |
CC[C@H](C)[C@@H](C=O)NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C | CVCVKTTSLVRPRHI | 67.884925 | 66.940455 | 20.86736 | 81.577086 | 79.448731 | 25.716535 | 2.539059 | 1.31202 | 1.261875 | 0.381493 | 2.198462 |
CC(O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O | KRKRRR | 26.818077 | 23.252982 | 13.203876 | 35.718726 | 31.447124 | 19.945017 | 1.83203 | 1.521913 | 1.113179 | 0.461056 | 2.038424 |
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CCCCC1)C(O)N[C@H](C=O)CS | DDDLEChaC-OH | 21.912255 | 14.738006 | 10.889719 | 19.745705 | 12.634654 | 9.814975 | 1.392185 | 1.295779 | 0.798001 | 0.226234 | 1.266146 |
CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CS)[C@@H](C)O)[C@@H](C)O | CMTSHPTLC | 17.411391 | 14.862057 | 10.092058 | 18.3765 | 15.600724 | 10.130596 | 1.450852 | 1.145971 | 0.966179 | 0.481427 | 1.734699 |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)C(C)C | STLPPPLRFANV | 34.370883 | 26.003721 | 15.995901 | 38.948499 | 30.544158 | 18.778366 | 1.817433 | 1.304544 | 0.815829 | 0.297382 | 1.585367 |
CSCC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(O)C(N)CC1CNCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)O | HSDGMFTSELSRLQDSARLQRLLQGLV | 130.44595 | 99.987875 | 79.515352 | 123.365138 | 99.588557 | 84.083457 | 2.229535 | 2.076305 | 1.59212 | 0.482034 | 2.644251 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CC(N)=O)C(C)C)[C@@H](C)O | SIPCGESCVWIPCTITALAGCKCKSKVCYN | 295.165797 | 277.640784 | 49.241415 | 274.854623 | 254.045506 | 55.324296 | 3.697259 | 1.857088 | 1.333945 | 0.148709 | 2.042866 |
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CS | ERVCCGYPMSCKSRACKPSYCC | 104.885222 | 76.822357 | 52.659174 | 94.340669 | 74.161722 | 45.067041 | 2.524586 | 1.868427 | 1.168718 | 0.318478 | 2.117007 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCC[NH3+] | MAIPPK | 8.317657 | 7.389804 | 3.547263 | 9.826549 | 9.751723 | 4.837829 | 1.350255 | 0.78172 | 0.770416 | 0.440165 | 1.368207 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C1=O | GEYCGESCYLIPCFTPGCYCVSRQCVNKN | 130.037271 | 109.96321 | 78.347509 | 120.702582 | 103.396529 | 65.370112 | 2.363588 | 1.823273 | 1.638135 | 0.528833 | 2.686065 |
NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(N)=O | GRKKRRQRRRC | 58.109886 | 54.194117 | 22.049356 | 66.683109 | 61.539621 | 30.725805 | 2.542596 | 1.658783 | 1.594817 | 0.416886 | 2.0861 |
CC(C)C[C@H](N)C(=O)N[C@H](C=O)CC(=O)O | LD | 2.094064 | 1.883301 | 0.345376 | 2.019439 | 1.879611 | 0.281796 | 1.011035 | 0.484126 | 0.235742 | 0.089637 | 0.470814 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(O)C(CC1CNCN1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC=O | LSCKRGTCHFGRCPSHLIKGSCSGG | 126.187483 | 98.046291 | 53.398387 | 128.560017 | 96.195512 | 60.288796 | 2.547186 | 1.977844 | 1.089757 | 0.276026 | 2.131485 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)CN)CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC1=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC3=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2 | GGYYCPFRQDKCHRHCRSFGRKAGYCGGFLKKTCICV | 220.17638 | 191.69002 | 118.829854 | 212.811205 | 180.680946 | 112.288057 | 2.986974 | 2.248832 | 1.993649 | 0.511622 | 3.072055 |
CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12 | APRKNVKW | 14.201143 | 12.833531 | 11.216109 | 17.719598 | 15.030755 | 14.38502 | 1.207932 | 1.102421 | 1.108363 | 0.775402 | 2.078493 |
CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)CCC(N)=O | IGYNQ | 8.980034 | 7.04084 | 4.57403 | 9.855541 | 8.778148 | 3.478498 | 1.333503 | 1.157065 | 0.687402 | 0.383251 | 1.426332 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CCCC[NH3+] | FKRLEKLFSKIWNWK | 74.498217 | 62.369929 | 34.469273 | 81.244113 | 66.682855 | 40.811761 | 2.144463 | 1.641091 | 1.383661 | 0.392503 | 2.163106 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(N)=O | GKWKSLLKHILK | 39.114844 | 34.839473 | 17.48556 | 54.574016 | 48.490308 | 24.791126 | 2.143126 | 1.38534 | 1.079374 | 0.438467 | 2.029438 |
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CS)[C@@H](C)O | CKGKGASCSRTMYNCCTGSCNRGKC | 114.809839 | 110.05586 | 40.852257 | 106.708251 | 100.807788 | 38.707965 | 2.394157 | 1.448255 | 1.283485 | 0.38223 | 2.425116 |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CS | AARPPLRCKAAFC | 41.924075 | 40.677932 | 15.018659 | 44.873508 | 43.371335 | 17.328401 | 2.236931 | 1.040158 | 1.211932 | 0.438469 | 2.045683 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(C)C | GVLGAVKDLLIGAGKSAAQSVLKTLSCKLSNDC | 257.71129 | 212.871104 | 87.969181 | 281.744108 | 241.108653 | 94.273826 | 3.178374 | 2.25559 | 1.449676 | 0.23236 | 2.386992 |
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCC[NH3+])C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C)C(C)C | KNDFCQLLYVWLVMFCQQCFVQFFKNVET | 350.779803 | 338.969609 | 69.580668 | 317.020364 | 305.911336 | 62.980683 | 4.044159 | 1.640452 | 1.578221 | 0.222741 | 2.665332 |
LRGB Peptides-struct
Peptides-struct (Peptides structural) dataset, part of Long Range Graph Benchmark (LRGB) [1]. It is intended to be used through scikit-fingerprints library.
The task is to predict structural properties of peptides. Note that this is raw data, whereas the original paper [1] specifies that targets should be standardized (mean 0, standard deviation 1) before training and evaluation. scikit-fingerprints does this by default in the loader function, otherwise this should be performed manually.
Characteristic | Description |
---|---|
Tasks | 11 |
Task type | regression |
Total samples | 15535 |
Recommended split | stratified random |
Recommended metric | MAE |
References
[1] Dwivedi, Vijay Prakash, et al. "Long Range Graph Benchmark" Advances in Neural Information Processing Systems 35 (2022): 22326-22340 https://proceedings.neurips.cc/paper_files/paper/2022/hash/8c3c666820ea055a77726d66fc7d447f-Abstract-Datasets_and_Benchmarks.html
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