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@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])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](CCCNC(N)=[NH2+])C(=O)NC(CC1CNCN1)C(O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)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)CCC(=O)O)[C@@H](C)CC | RILSILRHQNLLKE | 54.339744 | 52.237686 | 20.132152 | 66.462521 | 63.478168 | 28.975501 | 2.232696 | 1.380099 | 1.171348 | 0.4291 | 2.196213 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(N)=O | FLPLIGRVLSGIA | 33.342005 | 29.808865 | 16.301033 | 38.45231 | 35.540262 | 18.896361 | 1.961652 | 1.283597 | 0.955866 | 0.479469 | 2.150034 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CC(=O)O | IKD | 4.158981 | 3.928631 | 0.79981 | 5.561117 | 4.983995 | 0.982514 | 1.273942 | 0.493754 | 0.353859 | 0.176299 | 0.813685 |
CC[C@H](C)[C@H](N)C(=O)N[C@H](C=O)C(C)C | IV | 1.1765 | 1.023672 | 0.391134 | 1.943463 | 1.701397 | 0.555151 | 0.768677 | 0.497172 | 0.33855 | 0.264686 | 0.636231 |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | PWTNF | 14.022307 | 11.90239 | 3.860562 | 14.205016 | 12.314287 | 3.263232 | 1.854908 | 0.848376 | 0.570436 | 0.169555 | 0.992717 |
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CN)CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N2 | GYGCPFNQYQCHSHCSGIRGYKGGYCKGLFKQTCNCY | 245.662593 | 218.078835 | 105.638608 | 226.685856 | 197.964958 | 95.78055 | 3.135002 | 2.115136 | 1.716909 | 0.408054 | 2.871339 |
CC(C)C[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | RHLCW | 11.130619 | 8.75941 | 4.839512 | 12.558959 | 10.542663 | 4.762511 | 1.477485 | 1.040911 | 0.548432 | 0.30273 | 1.248231 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C=O)[C@@H](C)CC | CQWQFISPSRAGCIGP | 45.913158 | 41.440273 | 23.565495 | 43.579139 | 40.276441 | 21.559523 | 1.965468 | 1.380691 | 1.025902 | 0.513392 | 2.296933 |
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(O)C(CC1CNCN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(O)C(CC1CNCN1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC=O)[C@@H](C)O | GCCSNPVCHLEHSNLCTNG | 47.112328 | 45.299765 | 32.779051 | 44.891636 | 40.269666 | 32.718801 | 1.863502 | 1.345658 | 1.40231 | 0.772551 | 2.604853 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])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](CC(C)C)C(=O)N[C@@H](C)C(=O)NC(CC1CNCN1)C(O)N[C@H](C=O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC | IKITTMLAKLGKVLAHV | 71.665875 | 52.793879 | 32.677171 | 91.84032 | 68.662936 | 48.362483 | 2.108767 | 2.008594 | 1.088008 | 0.274871 | 1.862904 |
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC(CO)CC1CNCN1 | LALERRDGWLRLFGLKPRRKH | 137.335529 | 116.294225 | 52.559404 | 157.29686 | 133.004026 | 67.672731 | 2.652147 | 2.182826 | 1.340881 | 0.318291 | 2.322431 |
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O | FAKLF | 8.252805 | 7.683732 | 4.38297 | 9.444305 | 8.709202 | 5.788115 | 1.337287 | 0.899708 | 0.87931 | 0.57004 | 1.611372 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)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@@H](C)O)C(C)C)C(=O)N[C@H](C=O)C(C)C | KKKKFVAATYVLV | 34.95446 | 27.992815 | 21.724067 | 45.912992 | 37.457332 | 28.454381 | 1.625105 | 1.566162 | 1.22811 | 0.527194 | 2.081233 |
CSCC[C@H](NC(C)O)C(=O)NC(CC1CNCN1)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 | MHKRRR | 26.514154 | 22.561351 | 7.999572 | 32.84828 | 27.321142 | 11.175046 | 1.799838 | 1.304 | 0.783962 | 0.220859 | 1.352982 |
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)O)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](Cc3ccc(O)cc3)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](CCCCN)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=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)CNC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](CO)C(=O)N3)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)N2 | GSIPCAESCVYIPCITGIAGCSCKNKVCYYN | 150.099074 | 115.592235 | 75.747235 | 145.149038 | 104.496983 | 78.684265 | 2.727741 | 2.195198 | 1.383303 | 0.354957 | 2.321253 |
C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](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)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)O)[C@@H](C)O | TATTRRRGRPPGFSPFR | 72.320665 | 59.923488 | 28.183876 | 80.506987 | 67.4088 | 31.737418 | 2.392074 | 1.626543 | 1.059517 | 0.300408 | 1.92631 |
CC[C@H](C)[C@@H](C=O)NC(=O)CNC(=O)[C@@H](N)CC(C)C | LGI | 1.821364 | 1.495634 | 0.945848 | 2.929503 | 2.465146 | 1.149553 | 0.798086 | 0.631895 | 0.488266 | 0.417972 | 0.8922 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC | INWLKLGKQILGAL | 37.772965 | 37.001751 | 22.466853 | 52.895071 | 43.948182 | 31.088331 | 2.007961 | 1.471296 | 1.284 | 0.66064 | 2.52049 |
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CCC(=O)O)C(C)C | LFKCYKPDSRGFRVCE | 91.443484 | 73.044068 | 29.365846 | 93.357328 | 74.214531 | 30.45521 | 2.454176 | 1.655683 | 0.867818 | 0.168677 | 1.621654 |
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+])C(N)=O | KWKKLLKKPLLKKLLKKL | 93.340157 | 78.331718 | 41.266274 | 132.96488 | 110.51259 | 65.763735 | 2.430198 | 1.8084 | 1.315325 | 0.371729 | 2.31737 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CO | LLCISCCVSITECCQLMSGCAVEIKS | 95.417219 | 78.708348 | 59.51238 | 92.38146 | 76.90464 | 65.791556 | 2.096264 | 1.803666 | 1.55378 | 0.545433 | 2.583211 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)NCC=O)[C@@H](C)O)C(C)C)[C@@H](C)CC | FLPLILPSIVTALSSFLKQG | 92.298901 | 82.438985 | 31.144237 | 100.511338 | 89.796287 | 41.028132 | 2.4365 | 1.690408 | 1.249122 | 0.312345 | 2.070025 |
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(O)C(CC1CNCN1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C=O)[C@@H](C)O)[C@@H](C)CC | RCCISPACHDDCICCIT | 44.692298 | 35.116638 | 32.254852 | 42.914239 | 35.316999 | 32.356123 | 1.630534 | 1.573186 | 1.314474 | 0.630538 | 2.396261 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCC(=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](CC(C)C)C(N)=O)C(C)C | FAFGKGIGKVGKKLL | 46.792294 | 37.742081 | 25.121757 | 59.351738 | 47.178571 | 36.490157 | 1.871373 | 1.666451 | 1.248453 | 0.448365 | 2.082457 |
C[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])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](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+] | KAAKKAWKAWKKAAKAAWKKAA | 152.468228 | 143.067833 | 39.907175 | 192.891608 | 179.77908 | 54.370459 | 3.158163 | 1.948385 | 1.213992 | 0.275157 | 2.376511 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](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](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)CC | YQLLIRPIYKNI | 43.885286 | 36.080089 | 17.875925 | 52.286729 | 41.121735 | 24.077199 | 2.189075 | 1.532423 | 1.017028 | 0.304479 | 1.675723 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)N)C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)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](C(=O)N[C@H](C(=O)NCC=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C | AKKVFKRLGIGAVLWVLTTG | 75.176163 | 58.320381 | 42.714814 | 91.682045 | 75.748194 | 53.622793 | 2.120634 | 1.824655 | 1.318108 | 0.449458 | 2.388011 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)CC | FLFSLIPSAISGLISAFKGRR | 71.903446 | 61.184452 | 43.826348 | 85.157351 | 73.693112 | 50.226935 | 2.072506 | 1.79489 | 1.280512 | 0.569763 | 2.660159 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O | NNSVALDPIDISIELNKAKSDLEESKEWIRRSNQK | 1,076.307274 | 1,073.069288 | 43.508589 | 958.519259 | 957.880428 | 51.913131 | 6.860033 | 1.315871 | 1.318885 | 0.056001 | 2.032606 |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=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](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C=O)CS | CERPYSRLC | 26.024458 | 19.723034 | 12.332451 | 23.355102 | 18.89047 | 11.073589 | 1.891331 | 1.323352 | 0.717639 | 0.327362 | 1.621241 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C=O | GFFTLIKAANKLINKTVNKEAGKGGLEIMA | 377.061904 | 372.794922 | 39.492843 | 384.957519 | 384.334699 | 49.781854 | 4.258757 | 1.397279 | 1.308805 | 0.134124 | 2.180536 |
CC[C@H](C)[C@@H](NC(=O)CN)C(=O)NCC(=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(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CO)C(N)=O)[C@@H](C)CC)C(C)C | gigkflhsakkfgkafvgeins | 117.46693 | 110.52136 | 32.542258 | 124.812769 | 118.60698 | 38.63871 | 2.659282 | 1.451245 | 1.15282 | 0.302281 | 2.232355 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=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)NCC(=O)N[C@@H](C)C=O | GLWSTIKNVGKEAAIAAGKAALGA | 70.169414 | 58.82455 | 42.4608 | 80.949132 | 68.621158 | 48.148146 | 2.22044 | 1.628483 | 1.377214 | 0.544408 | 2.536797 |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | YYY | 6.301463 | 5.448274 | 2.420739 | 4.953075 | 4.526629 | 1.708317 | 1.063101 | 0.747561 | 0.506234 | 0.339255 | 1.230617 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](C)NC(O)C(CC1CNCN1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)[C@@H](C)CC)C(=O)NC(CC1CNCN1)C(O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC(CC1CNCN1)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)NC(CC1CNCN1)C(N)O)[C@@H](C)CC | FFGWLIRGAIHAGKAIHGLIHRRRH | 164.735998 | 159.267098 | 51.743914 | 174.984533 | 169.766412 | 62.419733 | 3.202415 | 1.644728 | 1.417918 | 0.367998 | 2.660878 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@@H](N)[C@@H](C)CC | IGGSI | 3.362666 | 2.64639 | 2.117519 | 4.01174 | 3.046864 | 2.426401 | 0.908031 | 0.752813 | 0.558273 | 0.497197 | 1.19174 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C=O)CCCC[NH3+] | ELSKAVRLIK | 20.942609 | 15.108626 | 13.197374 | 29.80549 | 21.285733 | 20.052908 | 1.346925 | 1.364273 | 0.894336 | 0.45406 | 1.750121 |
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(O)C(N)CC1CNCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](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](C=O)C(C)C)[C@@H](C)O | HRMANMMMNWSPTAALV | 54.196181 | 51.839568 | 30.804411 | 51.01517 | 49.825834 | 31.47936 | 2.128762 | 1.434037 | 1.343205 | 0.573117 | 2.470548 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)CO)C(C)C)[C@@H](C)O | KQATCSIPYEYSNGKFKRTLYYSNGVYANS | 211.592908 | 186.927253 | 75.085964 | 187.81385 | 164.160767 | 71.636222 | 3.122327 | 1.983014 | 1.38333 | 0.325239 | 2.531848 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(C)O)C(=O)NC(CC1CCCCC1)C(O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NC(CC1CCCCC1)C(O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O | DeLIChaCPChaDLPYK(Ac) | 39.18523 | 32.897049 | 25.377935 | 46.421563 | 39.337503 | 30.949628 | 1.692114 | 1.511173 | 1.222272 | 0.578922 | 2.344176 |
CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@H](C=O)CCCC[NH3+] | KQMK | 7.939088 | 5.459755 | 3.266331 | 10.809495 | 8.087562 | 3.962441 | 1.281955 | 1.163885 | 0.415282 | 0.149824 | 0.853927 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C=O)CCCC[NH3+] | DIQKLVGKLNWASQIYPGIK | 88.02209 | 74.287071 | 39.339355 | 94.494837 | 77.297561 | 47.194725 | 2.393304 | 1.66031 | 1.199033 | 0.385982 | 2.272784 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)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]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC1=O | GIPCGESCVFIPCITGAIGCSCKSKVCYRN | 125.76448 | 120.550552 | 77.270619 | 115.149002 | 109.441855 | 76.88612 | 2.330758 | 1.809042 | 1.706827 | 0.667202 | 3.109014 |
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C | SYSMEHFRWGKPV | 45.829781 | 37.506282 | 22.762935 | 42.045314 | 35.194443 | 23.29707 | 2.024334 | 1.254712 | 1.063048 | 0.40116 | 1.990762 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)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](C)NC(=O)[C@@H](N)C(C)C | VALALKALKKALKKLKKALKKAL | 179.498488 | 167.755069 | 38.374007 | 238.442045 | 223.939859 | 66.561927 | 3.41149 | 1.763752 | 1.274122 | 0.212627 | 2.217155 |
CC(O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC(=O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)C(O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)NCC(N)=O | HHPHGHHPHGHHPHG | 41.26947 | 32.668832 | 28.07949 | 47.851862 | 40.529933 | 30.463988 | 1.658276 | 1.470612 | 1.180646 | 0.576255 | 2.224141 |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CC(N)=O | VVKCSYRLGSPDSQCN | 57.679244 | 52.315573 | 19.005924 | 63.579193 | 59.158354 | 18.227312 | 2.407408 | 1.330379 | 0.981953 | 0.306957 | 1.848635 |
CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC=O)C(C)C)C(C)C | SIGSALKKALPVAKKIGKIALPIAKAALPVAAGLVG | 620.342294 | 613.300626 | 31.364716 | 675.193379 | 664.397271 | 53.923676 | 5.517502 | 1.452084 | 1.225078 | 0.059793 | 1.762428 |
CC(C)[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(O)C(CC1CNCN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C | VSCEDCPEHCSTQKARAKCDNDKCVCESV | 212.841381 | 187.707579 | 69.653467 | 192.953837 | 168.125757 | 61.48323 | 2.836061 | 1.833773 | 1.438501 | 0.267368 | 2.354175 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)N)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](CS)C(=O)N[C@@H](CS)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](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C=O)CS)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O | AIKLTCCSELTCAGNYPNIC | 80.070353 | 70.551717 | 27.769608 | 81.700262 | 73.90291 | 26.647077 | 2.572045 | 1.447413 | 0.941277 | 0.301342 | 2.016498 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCSC | QDKPFWPPPIYPM | 49.655453 | 37.74519 | 24.711261 | 48.869234 | 39.29811 | 21.918215 | 2.00581 | 1.64601 | 0.886098 | 0.328236 | 1.821676 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)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](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)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](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O | DLSNQINSINKSLKSAEDWIADSNFFANQARTAK | 589.116031 | 572.263859 | 66.458803 | 539.763672 | 526.816738 | 71.493339 | 4.868437 | 2.028624 | 1.396933 | 0.122073 | 2.34203 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(O)C(CC1CNCN1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O | QQWPPGHHIPP | 26.040546 | 21.638884 | 17.77475 | 25.698813 | 22.908439 | 17.134784 | 1.524008 | 1.383313 | 1.09661 | 0.607093 | 2.053242 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C=O | INNQFLP | 15.757186 | 13.26837 | 6.482074 | 14.891114 | 12.474636 | 6.957105 | 1.388783 | 0.888585 | 0.862256 | 0.334224 | 1.433429 |
C.CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCC[NH3+])C(C)C | SWLRDIWDWVCEVLSDFK | 74.112509 | 60.051448 | 44.02396 | 67.60902 | 55.644888 | 43.171635 | 1.933578 | 1.716271 | 1.409087 | 0.503652 | 2.384302 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCC[NH3+])[C@@H](C)CC | CSICSNNPTCWAICKRIPNKKPGKK | 169.245631 | 145.675238 | 54.666355 | 183.133921 | 160.577968 | 65.153978 | 2.964225 | 2.002576 | 1.398444 | 0.255631 | 2.140032 |
CC(C)C[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])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 | LKCNKLVPLFYKTCP | 62.06767 | 54.744646 | 23.287736 | 74.577847 | 66.965258 | 26.071555 | 2.636377 | 1.526335 | 1.074305 | 0.331785 | 2.021691 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12)C(C)C | QKKIRVRLSW | 79.865543 | 75.380425 | 11.416753 | 84.349505 | 76.449484 | 16.012542 | 2.893089 | 1.265922 | 0.893505 | 0.125776 | 1.439102 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC | QQLLGTGRVQGYDGYFVLSVEQYLELSDSANNIHFMRQSEI | 221.63749 | 178.502127 | 149.588438 | 185.42323 | 149.620773 | 129.376463 | 2.516352 | 2.303236 | 1.886313 | 0.581105 | 3.148551 |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C=O)C(C)C | KWLNALLKKGLNCAKGVLA | 79.763508 | 67.66105 | 33.338491 | 101.667348 | 85.362971 | 44.108239 | 2.2763 | 1.647316 | 1.390952 | 0.36141 | 2.046391 |
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C=O)CS | CSPQSQPMC | 36.589069 | 32.577976 | 7.552316 | 33.94748 | 29.853009 | 7.245913 | 2.152945 | 1.079223 | 0.738172 | 0.138649 | 1.223676 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)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(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)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)CC(C)C)[C@@H](C)CC | INLKAIAALAKKL | 45.089319 | 42.618664 | 13.189309 | 63.854868 | 59.653825 | 23.227576 | 2.489246 | 1.301385 | 1.138589 | 0.323558 | 1.794115 |
C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)NCCC(N)=O)[C@@H](C)O.O=CN[C@H](C=O)Cc1ccccc1 | YAPWTNF | 14.640707 | 12.880382 | 6.537943 | 12.631838 | 10.816699 | 5.934463 | 1.368017 | 1.01932 | 0.745384 | 0.403921 | 1.550514 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])[C@@H](C)CC)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CS)[C@@H](C)CC | RLCIPYIIPC | 24.566541 | 20.716175 | 14.072079 | 28.01878 | 23.236414 | 16.706535 | 1.608247 | 1.562137 | 1.126479 | 0.545447 | 1.808304 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | IMY | 6.490795 | 5.511243 | 1.537195 | 6.912991 | 5.403134 | 2.177869 | 1.450596 | 0.891298 | 0.465232 | 0.124565 | 0.714925 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C | GYSAGERIVD | 19.880108 | 17.953672 | 10.876621 | 19.118058 | 18.404798 | 10.8547 | 1.605262 | 1.116702 | 1.01134 | 0.553414 | 1.914338 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)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](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)O | AVSEHQLLHDKGKSIQDLRRRFFLHHLIAEIHTAEI | 799.724661 | 791.846364 | 54.184361 | 767.109029 | 756.425962 | 57.669933 | 5.76005 | 1.730075 | 1.43754 | 0.083812 | 2.073802 |
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O | FALA | 5.904192 | 5.606234 | 1.841108 | 6.165023 | 5.468865 | 2.820696 | 1.307782 | 0.775502 | 0.65096 | 0.345098 | 1.234615 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)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](CCCC[NH3+])NC1=O | GSVIKCGESCLLGKCYTPGCTCSRPICKKD | 143.337381 | 105.317427 | 75.505324 | 131.04199 | 104.485814 | 74.4425 | 2.495087 | 1.962176 | 1.271106 | 0.360975 | 2.298916 |
CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCCCN | MLWSASMRIFASAFSTRGLGTRMLMYCSLPSRCWRK | 241.211877 | 189.749906 | 114.291079 | 223.788211 | 175.332862 | 120.61786 | 3.047967 | 2.473656 | 1.712585 | 0.352632 | 2.535073 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)NCC(=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)N1CCC[C@H]1C(=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](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](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CO)CC1CNCN1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC | GIGGKILGGPKTALKGAAKELASTYLH | 148.919841 | 127.793539 | 44.749577 | 163.691535 | 143.823319 | 53.939331 | 2.843332 | 1.691079 | 1.177548 | 0.226874 | 2.06175 |
NC(=O)C[C@H](N)C(=O)NCC=O | NG | 0.883246 | 0.738994 | 0.251708 | 0.755011 | 0.519698 | 0.250971 | 0.73515 | 0.422669 | 0.224633 | 0.158818 | 0.468852 |
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O | RRLHPQHQRFPRERPWPKPLSLPLPRPGPRPWPKP | 1,351.315022 | 1,321.027213 | 125.796314 | 1,293.555124 | 1,265.157484 | 122.392964 | 6.747093 | 2.079923 | 1.795728 | 0.103051 | 3.03146 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](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](CC(C)C)C(=O)N[C@H](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](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)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](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](CC(N)=O)C(=O)N[C@@H](CC(N)=O)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](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC | QNQSANQFQKEISQINEVLTTTNTSLGKLQDDVNQNNQSLNTLQKE | 1,593.877413 | 1,549.903535 | 96.438788 | 1,375.617465 | 1,340.57025 | 96.026521 | 6.729371 | 1.960455 | 1.260068 | 0.048734 | 2.07375 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)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](CC(C)C)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](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | INLKALAALAKALL | 48.278611 | 43.18054 | 15.617657 | 68.067265 | 59.054534 | 25.66157 | 2.239668 | 1.373538 | 0.985611 | 0.297554 | 1.906629 |
CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)NC(CC1CNCN1)C(O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)O | APVPFSCTRGCLTHLV | 44.764531 | 33.904449 | 26.779875 | 43.765438 | 35.840693 | 29.461331 | 1.687536 | 1.53207 | 1.047015 | 0.478559 | 2.016377 |
C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)[C@@H](C)O | QAFT | 4.53531 | 3.872509 | 2.220826 | 3.851809 | 3.603366 | 2.387521 | 1.242346 | 0.697649 | 0.618561 | 0.448982 | 1.239557 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)NCC(=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](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)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](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@H](C=O)Cc1ccccc1)C(C)C | GIGGALLSVGKSALKDLAKGLAEHF | 84.0196 | 68.613596 | 48.327808 | 94.271554 | 78.678509 | 57.387603 | 2.317144 | 1.739516 | 1.42546 | 0.492624 | 2.478093 |
CC(C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | TVY | 5.522384 | 4.666241 | 1.206903 | 5.581848 | 4.365443 | 1.560212 | 1.351229 | 0.657362 | 0.30443 | 0.091013 | 0.650466 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](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](C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)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](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(N)=O)[C@@H](C)CC | GIGASILSAGKSALKGFAKGLAEHFAN | 212.165217 | 175.962671 | 62.18699 | 217.71498 | 184.526187 | 68.295682 | 3.218508 | 2.204746 | 1.271402 | 0.175635 | 2.086758 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](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](CCSC)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)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)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C | KILRGVAKKIMRTFLRRILTGKK | 238.69325 | 229.193374 | 37.067621 | 294.757753 | 285.919049 | 53.413293 | 3.911619 | 1.422616 | 1.309258 | 0.167735 | 2.082661 |
CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC3=O)C(=O)N2 | CNDPGGSCTRHYHCCQLYCNKQESVCLENEPAF | 232.746442 | 209.392853 | 101.569307 | 193.549725 | 175.704102 | 80.097482 | 3.52751 | 2.22443 | 1.932227 | 0.431749 | 2.982261 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 | IKPLDY | 12.509583 | 10.330764 | 6.421553 | 15.444005 | 13.904475 | 6.027099 | 1.47363 | 1.103098 | 0.860074 | 0.425545 | 1.552553 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC | GLRKRLRKFRNKIKEKLKKI | 194.92331 | 172.746381 | 53.490323 | 249.709539 | 225.626032 | 75.572584 | 3.42813 | 1.913778 | 1.648098 | 0.223463 | 2.204448 |
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C=O)CS | CSGRGDSLC | 11.57236 | 9.650148 | 8.369107 | 11.355899 | 9.522187 | 7.24166 | 1.246302 | 1.090605 | 0.817639 | 0.640895 | 1.835756 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](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](CC(C)C)C(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC | NIWKKIASIAKEVLKAL | 101.592079 | 96.929591 | 19.967429 | 111.590354 | 103.311314 | 30.727621 | 2.725913 | 1.348373 | 1.193179 | 0.216813 | 1.831812 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(N)=O | FPPWVL | 15.054282 | 12.661403 | 5.09237 | 16.275353 | 13.855067 | 5.827518 | 1.558913 | 0.964654 | 0.615598 | 0.242808 | 1.202396 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC | GIINTLQKYYSRVRGGRSAVLSSLPKEEQIGKSSTRGRKSSRRKK | 431.351282 | 328.137689 | 221.736719 | 466.533688 | 354.950844 | 229.485616 | 3.781895 | 3.338278 | 1.803422 | 0.35946 | 3.221405 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O | LKLSPETKDTLKKVLKGAIKGAIAIASLA | 290.27674 | 281.078851 | 36.596533 | 331.609901 | 320.695831 | 52.951311 | 3.754587 | 1.492844 | 1.151009 | 0.136781 | 2.008146 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(O)C(CC1CNCN1)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)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=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)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C | GWRTLLKKAEVKTVGKLALKHYL | 232.529212 | 228.239846 | 27.742145 | 257.930797 | 253.488028 | 40.374207 | 3.875653 | 1.383599 | 1.201699 | 0.145239 | 2.05411 |
NCC(=O)N1CCC[C@H]1C(=O)NCC=O | GPG | 1.342018 | 1.001604 | 0.431093 | 1.445388 | 1.004131 | 0.488594 | 0.771583 | 0.552121 | 0.191571 | 0.092111 | 0.417284 |
CSCC[C@@H](C=O)NC(=O)CN | GM | 1.044279 | 0.720737 | 0.453536 | 1.066811 | 0.683683 | 0.417114 | 0.649691 | 0.578566 | 0.235461 | 0.174042 | 0.509317 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CS | PCCPLIPGCC | 21.100917 | 17.677737 | 9.105733 | 20.673902 | 17.942853 | 9.948861 | 1.610623 | 1.279782 | 0.971985 | 0.365221 | 1.535819 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O)[C@@H](C)CC | GLLSGILNSAGGLLGNLIGSLSN | 67.104415 | 62.426545 | 33.237813 | 80.159794 | 75.427616 | 40.205252 | 2.140681 | 1.460224 | 1.318151 | 0.530575 | 2.400338 |
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O | KYYGNGVTCGKHSCSVNWGQAFSCSVSHLANFGHGKC | 671.887361 | 640.187689 | 78.877839 | 565.20957 | 538.36306 | 69.588617 | 5.066088 | 2.002972 | 1.304848 | 0.102122 | 2.294349 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])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](CC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(N)=O | RVIRWFQNKRCKDKK | 65.667105 | 48.489428 | 38.150791 | 76.89734 | 57.991318 | 45.914344 | 1.978731 | 1.708015 | 1.113558 | 0.417202 | 2.210639 |
CC(O)NC(CC1CNCN1)C(O)NC(CC1CNCN1)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 | HHKRRR | 23.220877 | 21.99401 | 9.749309 | 29.934126 | 27.643036 | 12.954803 | 1.759006 | 1.207795 | 0.931489 | 0.463029 | 2.04221 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 | AANDKASDLMALRDGCCSDPACAVNHPDICGGGR | 401.541524 | 373.616036 | 80.78454 | 332.062608 | 304.266209 | 74.680159 | 4.08935 | 2.095797 | 1.585396 | 0.183266 | 2.545036 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C | CVRLASHLRKLRKRLLRDADDL | 152.058315 | 140.084645 | 43.566284 | 167.294246 | 155.477005 | 58.158637 | 3.249612 | 1.917543 | 1.290484 | 0.293337 | 2.351127 |
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@H](C=O)CCC(N)=O | PTEAQLQ | 10.732984 | 9.440996 | 6.411062 | 10.541491 | 9.294419 | 6.392661 | 1.205718 | 1.05044 | 0.836897 | 0.585679 | 1.774735 |