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
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|
CCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)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(C)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](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](CCC(=O)O)C(=O)N[C@H](C=O)CCC(=O)O)[C@@H](C)CC | DAENLMDSFQEIVKEVGQLAETQHFECTMHQPRSPLQDLKGALESLIEE | 436.163936 | 414.216663 | 225.583177 | 368.068538 | 338.66946 | 191.934385 | 3.723458 | 2.472703 | 2.242801 | 0.560767 | 3.979754 |
CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=[NH2+])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](CC(C)C)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](CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C=O | GLRRALLRLLRSLRRLLLRA | 167.514497 | 157.45936 | 34.123996 | 195.449314 | 186.907504 | 48.449782 | 3.481133 | 1.482187 | 1.30675 | 0.206953 | 2.13585 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CS | CSGGKVLDC | 19.140778 | 13.696287 | 8.147427 | 18.35713 | 13.913615 | 7.81165 | 1.603365 | 1.334283 | 0.582592 | 0.203769 | 1.124306 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)O)C(C)C)[C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC3=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC1=O | EDCIAVGQLCVFWNIGRPCCSGLCVFACTVKLP | 198.377023 | 144.578873 | 110.680459 | 182.778648 | 141.531432 | 104.675653 | 3.077499 | 2.730981 | 1.739301 | 0.37868 | 2.608434 |
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(=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](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](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](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O | GILDTLKQFAKGVGKDLVKGAAQGVLSTVSCKLALTC | 505.213785 | 466.161546 | 74.049439 | 515.89912 | 469.917348 | 89.756631 | 4.24769 | 2.00809 | 1.253499 | 0.100761 | 2.009905 |
CC(C)[C@H]1NC(=O)CNC1=O | VG | 0.54439 | 0.366728 | 0.250107 | 0.544595 | 0.468871 | 0.124098 | 0.499645 | 0.421074 | 0.226635 | 0.206196 | 0.37423 |
CC[C@H](C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N)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 | alylairrr | 22.32906 | 16.024549 | 13.458475 | 29.554398 | 22.650194 | 17.539434 | 1.572848 | 1.577043 | 1.048811 | 0.423207 | 1.606039 |
CC[C@H](C)[C@H](NC(=O)CNC(O)C(CC1CNCN1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)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](C(=O)N[C@H](C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O | YIELAVVADHGIFTKYNSNLNTIR | 136.975278 | 122.946602 | 54.051931 | 138.310369 | 125.822883 | 61.388174 | 3.001966 | 1.940835 | 1.371997 | 0.386597 | 2.558723 |
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H](N)CCCCN)CSSC[C@@H]2NC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC2=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C1=O | KGGPCAKKPCCGPLGHYKVDCSTIPDYPCCSKYGFCGSGPQYCG | 284.789909 | 264.113751 | 153.94887 | 247.213545 | 227.250606 | 143.679697 | 3.181336 | 2.563754 | 2.218665 | 0.568068 | 3.38987 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](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 | KKKKVVAATPVLV | 34.387532 | 29.364388 | 16.812012 | 50.679009 | 47.230552 | 24.419217 | 2.247712 | 1.298626 | 1.073428 | 0.446862 | 1.966629 |
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C=O)CCCC[NH3+] | FGK | 2.814393 | 2.350653 | 1.009329 | 2.882145 | 2.300668 | 1.171437 | 0.95194 | 0.534342 | 0.362592 | 0.260022 | 0.873827 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C)C(C)C)[C@@H](C)CC | LEAIPCSIPPCVGFGKPFVF | 63.596452 | 56.441139 | 37.295321 | 69.950385 | 61.549181 | 39.068666 | 2.243238 | 1.614427 | 1.451646 | 0.558117 | 2.403309 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(=O)O)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](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](CCCC[NH3+])C(=O)N[C@@H](CC(=O)O)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](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC | GIKEFKRIVQRIKDFLRNLV | 155.929909 | 153.979012 | 29.673808 | 173.299249 | 171.383688 | 39.317484 | 3.134498 | 1.268542 | 1.325288 | 0.247546 | 2.18671 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCSC | FLPGLIAGIAKM | 28.908405 | 21.615644 | 14.057393 | 34.778006 | 23.991059 | 19.751123 | 1.691377 | 1.504798 | 0.823196 | 0.3221 | 1.558653 |
CC(C)C[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)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](N)CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(N)=O | KKllKWKlKlKK | 60.688063 | 54.921872 | 23.039393 | 89.803095 | 82.441249 | 36.902183 | 2.486523 | 1.716076 | 1.196229 | 0.379814 | 2.125051 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C=O | QTLLQELPIPP | 22.325071 | 19.309542 | 13.106676 | 26.490177 | 21.357067 | 17.357855 | 1.615247 | 1.288822 | 0.94122 | 0.551189 | 1.880037 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CCC(=O)O | QCCGWEWCDDICGCCE | 72.774529 | 71.308803 | 27.177439 | 56.602495 | 53.892545 | 18.888739 | 2.366688 | 1.291328 | 1.241304 | 0.439831 | 2.526093 |
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(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)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)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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(C)C | GVLGTVKNLLIGAGKSAAQSVLKGLACKLSNDC | 360.641671 | 328.387206 | 83.928711 | 375.154445 | 343.851362 | 92.548875 | 3.688693 | 2.073258 | 1.657864 | 0.203175 | 2.638049 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)C(C)C)[C@@H](C)O | NLLQFRKMIKKMTGKEVVWYAFYGCYCGGGGK | 268.627179 | 237.444264 | 108.896684 | 253.700372 | 222.674183 | 106.537706 | 3.635963 | 2.398429 | 1.631642 | 0.374235 | 2.965559 |
CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NC(CC1CNCN1)C(O)N[C@H](C=O)CCCC[NH3+] | GVYPHK | 11.481627 | 9.291961 | 4.897604 | 14.155288 | 11.90306 | 5.674068 | 1.588393 | 0.943584 | 0.63095 | 0.322828 | 1.387524 |
N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)Cc1ccccc1 | EKF | 3.49573 | 3.282731 | 1.49504 | 3.740063 | 3.23 | 1.729352 | 1.051721 | 0.550984 | 0.573119 | 0.477955 | 1.188933 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O | GCLGDKCDYNNGCCSGYVCSRTWKWCVLAGP | 148.745203 | 131.949458 | 98.20975 | 124.466405 | 117.177045 | 80.164057 | 2.443603 | 2.181008 | 1.894282 | 0.652128 | 3.270413 |
CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCC[NH3+] | GINAEWPLRAGLK | 49.038754 | 39.063544 | 19.516153 | 54.244236 | 45.708108 | 21.248456 | 2.335102 | 1.663129 | 0.905245 | 0.27019 | 1.856509 |
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CS | GCCSRPPCIANNPDLC | 47.37929 | 42.846886 | 18.807591 | 41.317922 | 35.523585 | 20.246196 | 2.251092 | 1.472474 | 1.030669 | 0.419293 | 1.991275 |
CC(C)C[C@@H]1NC(O)C(CCC[NH3+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | VOLFPWWNQY | 30.042506 | 26.831135 | 14.402946 | 30.107694 | 26.610151 | 13.896884 | 1.89503 | 1.285724 | 1.132135 | 0.458796 | 1.871737 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)NC(CO)CC1CNCN1 | LVYPFPGPIH | 24.548642 | 20.822452 | 11.276371 | 23.381007 | 19.871354 | 13.427012 | 1.925188 | 1.281733 | 0.919277 | 0.412849 | 1.68784 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=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)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC | GLFSKFAGKGIKDLIFKGVKHIGKEVGMDVIRTGIDVAGRKIKGEC | 1,370.841979 | 1,343.215547 | 113.368086 | 1,342.74216 | 1,314.613745 | 137.634765 | 6.328815 | 2.207996 | 1.828889 | 0.091583 | 2.818947 |
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CO)CC1CNCN1 | SDLPFEH | 19.976516 | 17.540094 | 6.157657 | 19.699668 | 17.267014 | 5.716148 | 1.714033 | 1.015224 | 0.771914 | 0.261972 | 1.332935 |
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] | SKWSECSRTCGGGVKFQER | 66.882615 | 51.364351 | 42.421369 | 61.812236 | 48.679923 | 39.774606 | 1.825715 | 1.827807 | 1.390361 | 0.512166 | 2.357442 |
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CC(N)=O | WCCRQFN | 16.770685 | 16.603431 | 8.072862 | 13.185946 | 12.623947 | 7.189674 | 1.560762 | 0.962471 | 0.915864 | 0.5998 | 1.967089 |
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC=O)C(C)C | YAFDVVG | 10.974687 | 9.585036 | 5.146898 | 10.595985 | 9.284544 | 4.703778 | 1.358828 | 0.906984 | 0.716109 | 0.443191 | 1.547935 |
CC[C@H](C)[C@H](NC(=O)C[NH3+])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](CCCC[NH3+])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)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](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](CCCC[NH3+])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(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C | GIGAVLKVLTTGLPALISWIKRKRQQ | 246.470092 | 237.111644 | 41.864388 | 275.711932 | 272.798617 | 51.018486 | 3.751644 | 1.601842 | 1.289232 | 0.188649 | 2.266242 |
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](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=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+] | RVISLPAGFSPFR | 41.268311 | 31.993416 | 18.334881 | 47.087219 | 36.127202 | 22.092541 | 2.061803 | 1.345634 | 0.940945 | 0.297457 | 1.656742 |
CC(C)C[C@H](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](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O | FAKLLFKALKKAL | 62.3093 | 59.77377 | 14.785933 | 84.477228 | 80.756974 | 22.433686 | 2.603969 | 1.270213 | 1.144931 | 0.271661 | 1.832459 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)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](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O | AQITAAVALVEAKQARSDIEKLKEAIRDTNKAVQS | 642.241627 | 636.955033 | 42.908245 | 641.181714 | 635.676144 | 52.801607 | 5.231959 | 1.510033 | 1.443542 | 0.085761 | 1.998997 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)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](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(O)C(N)CC1CNCN1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O | HFLLTLVNKAKKIL | 39.116001 | 37.844504 | 24.138983 | 53.808305 | 50.171636 | 36.798997 | 1.847849 | 1.396822 | 1.452171 | 0.678441 | 2.475224 |
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(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)[C@@H](C)O | FLFPLITSFLSKVL | 62.149973 | 58.788359 | 15.400105 | 69.855399 | 65.56335 | 22.177207 | 2.344382 | 1.235921 | 1.037788 | 0.261972 | 1.832564 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CCC(N)=O)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]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)CN)C(C)C | GSWYAWSPLVPSAQI | 72.279528 | 64.628421 | 15.93883 | 75.16067 | 67.019197 | 16.315352 | 2.82307 | 1.42312 | 0.781711 | 0.16217 | 1.439521 |
CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C=O | RGLERA | 11.732011 | 9.296685 | 4.526888 | 13.619689 | 9.766669 | 6.980794 | 1.333126 | 1.160296 | 0.645741 | 0.248231 | 1.125949 |
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)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)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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(C)C)C(C)C | GLLDTFKNMALNAAKSAGVSVLNALSCKLSKTC | 535.584998 | 513.774125 | 56.02197 | 553.785942 | 530.785106 | 64.714719 | 4.685826 | 1.806184 | 1.35673 | 0.08956 | 2.038104 |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CS)C(C)C)[C@@H](C)O)C(C)C | LLDYVTGACCAGLNFVCC | 91.808336 | 86.108524 | 19.522656 | 79.468961 | 71.741084 | 22.64805 | 2.68211 | 1.446555 | 1.075057 | 0.206059 | 1.77015 |
CC(C)C[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | RRHLCW | 14.320106 | 12.673939 | 10.384316 | 17.358914 | 16.042539 | 10.433677 | 1.411418 | 1.065337 | 1.031993 | 0.6471 | 1.969554 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)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](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)[C@@H](C)O | GVFTLIKGATQLIGKTLGKELGKTGLELMACKITEQC | 545.508737 | 513.600808 | 79.64976 | 566.849488 | 539.484845 | 89.855013 | 4.620556 | 2.115977 | 1.614541 | 0.122838 | 2.201361 |
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C=O)C(C)C | FAKRYVELVIVA | 30.019757 | 24.186613 | 18.540177 | 36.048324 | 30.049953 | 22.463879 | 1.851688 | 1.325372 | 0.968968 | 0.524566 | 2.075944 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CS | FLPVIAGVAANFLPKLFCAISKKC | 104.413624 | 92.509141 | 46.377316 | 122.903373 | 109.867237 | 55.251345 | 2.406973 | 1.666179 | 1.21364 | 0.426135 | 2.577791 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CO | CTPPEGGCLSSYECCSKICWRPRCYPS | 106.16013 | 88.22701 | 73.707255 | 93.337625 | 81.80853 | 64.135905 | 2.241849 | 2.114806 | 1.577617 | 0.622766 | 2.909414 |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(C)C)C(N)=O | QPNPDEFVGLM | 29.367768 | 26.464291 | 12.139075 | 25.71414 | 22.847053 | 11.842559 | 1.751563 | 1.092727 | 0.890635 | 0.425236 | 1.870355 |
CSCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])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](C)N | ALRDRPM | 14.162359 | 10.608014 | 8.43787 | 15.662907 | 12.019994 | 10.524439 | 1.239378 | 1.413245 | 0.816494 | 0.442184 | 1.500507 |
CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C=O | DCCPAKLLCCNP | 33.915242 | 31.094641 | 13.354065 | 32.234031 | 27.442432 | 14.576758 | 1.929652 | 1.142032 | 0.891824 | 0.376899 | 1.856196 |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C=O | FCVLRP | 14.027534 | 10.024318 | 6.384882 | 16.188952 | 11.338966 | 8.631741 | 1.366331 | 1.113188 | 0.623422 | 0.241422 | 1.15435 |
CC(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](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C=O | WEDWVRWA | 31.300144 | 22.994901 | 12.917967 | 26.412858 | 19.483729 | 11.066803 | 1.878582 | 1.462258 | 0.723589 | 0.204072 | 1.222703 |
CCC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCCN | KSCCKDTLARNCYNTCHFAGGSRPVCAGACRCKIISGPKCPSDYPK | 306.607596 | 266.963248 | 154.711509 | 277.719245 | 241.797305 | 155.058041 | 3.252919 | 2.425772 | 1.982121 | 0.478646 | 3.272199 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@H](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](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CS)C(C)C)[C@@H](C)O)[C@@H](C)CC | REIILPALRLQTSSDCLGFPDVWC | 87.521069 | 84.296507 | 54.434806 | 93.433407 | 86.158076 | 57.427784 | 2.115673 | 1.647028 | 1.512837 | 0.680948 | 3.012727 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CS)C(C)C | ISCAVDAC | 11.257125 | 10.184331 | 6.63796 | 10.300082 | 9.36135 | 6.556916 | 1.325552 | 0.969354 | 0.963476 | 0.546943 | 1.74763 |
CC(C)C[C@H](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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)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](CCC(=O)O)C(=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](CCCC[NH3+])C(=O)NCC=O | ETFAKKALKALEKLLKKG | 118.754052 | 116.311749 | 19.272971 | 132.615909 | 129.933436 | 30.688928 | 3.018383 | 1.272144 | 1.07335 | 0.20573 | 1.951613 |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCC[NH3+])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(=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](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C=O)CCC(N)=O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C | ALWKDILKNVGKAAGKAVLNTVTDMVNQ | 339.177462 | 325.795457 | 39.768323 | 343.740934 | 334.040746 | 46.942013 | 4.034757 | 1.687424 | 1.151011 | 0.113846 | 2.012943 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(N)=O)NC(O)C(CC1CNCN1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC1CNCN1)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](C=O)CCCNC(N)=[NH2+] | LAHQKPFIRKSYKCLHKRCR | 123.260212 | 120.527984 | 39.955384 | 137.726019 | 134.853352 | 49.686719 | 2.945196 | 1.602849 | 1.24264 | 0.388166 | 2.588818 |
CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C=O | ALP | 2.142131 | 1.902965 | 0.743785 | 3.192974 | 2.46468 | 1.211092 | 0.906163 | 0.581939 | 0.338262 | 0.300388 | 0.876789 |
CC(C)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC1CNCN1)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 | LENLHLPLP | 21.507399 | 18.853765 | 8.398141 | 28.52416 | 22.488202 | 12.864104 | 1.652945 | 1.125794 | 0.89797 | 0.346078 | 1.54084 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)C(C)C)[C@@H](C)CC)[C@@H](C)O | ANFPTVSLNTVGITRQIPQDFMNAV | 115.463157 | 102.492799 | 46.958018 | 112.274208 | 102.059325 | 52.05437 | 2.622409 | 1.627905 | 1.326204 | 0.376314 | 2.280687 |
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)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]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N3)NC2=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O | DCLGWFKGCDPDNDKCCEGYKCNRRDKWCKYKLW | 228.554967 | 182.083959 | 157.729508 | 191.94712 | 153.644968 | 129.45827 | 3.017293 | 2.727202 | 1.835161 | 0.599172 | 3.413752 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS)[C@@H](C)CC)[C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)N2)[C@@H](C)CC)CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O | CKITRCPMIPCYISSPDECLWMDWVTEKNINGHQAKFFACIKRSDGSC | 496.285737 | 377.819788 | 221.98052 | 437.982232 | 336.925892 | 205.900717 | 3.516849 | 2.690964 | 1.641416 | 0.285531 | 2.84991 |
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)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](CS)C(=O)N[C@@H](C)C=O)C(C)C)C(C)C)[C@@H](C)CC | LNKRCLDGGEICGILFPSCCSGWCIVLVCA | 436.274324 | 426.433422 | 37.607113 | 420.043798 | 411.65516 | 39.144962 | 4.741276 | 1.514984 | 1.087821 | 0.089423 | 1.955596 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C | LLEYSL | 17.845548 | 15.233609 | 4.871528 | 23.315644 | 19.683552 | 5.464049 | 1.786981 | 1.116753 | 0.547935 | 0.167879 | 1.147362 |
CC[C@H](C)[C@H](NC(=O)CN)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](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)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](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC | GICRCICTRGFCRCICVL | 74.352012 | 60.594454 | 43.680046 | 79.830143 | 64.72721 | 44.703246 | 1.971015 | 1.789688 | 1.433755 | 0.475641 | 2.437492 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CSSC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)[C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O | CKQAGESCDIFSQNCCVGTCAFICIE | 90.004536 | 86.955618 | 53.034347 | 83.718144 | 81.023523 | 50.085936 | 2.274936 | 1.601103 | 1.508292 | 0.653545 | 2.954932 |
CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CC(=O)O)C(C)C)[C@@H](C)O | IPWKLPATFRPVERPFSKPFCRKD | 147.302235 | 138.411329 | 55.619187 | 158.163915 | 146.70456 | 61.90494 | 2.678884 | 1.739292 | 1.378417 | 0.411683 | 2.767288 |
CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)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](C=O)CCC(=O)O)C(C)C | LLDVLLE | 11.028632 | 10.142557 | 5.943332 | 16.38922 | 12.1772 | 8.544035 | 1.419538 | 1.07184 | 0.84572 | 0.541584 | 1.636539 |
CC(C)C[C@@H](C=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C | CVWCNGRCGL | 23.650692 | 19.355418 | 12.656968 | 23.524417 | 19.728202 | 11.399749 | 1.528434 | 1.195726 | 0.914809 | 0.466892 | 1.961272 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(C)C)[C@@H](C)CC)[C@@H](C)O | FITGLISGLMKAL | 44.897655 | 43.140093 | 10.450164 | 51.001875 | 47.564871 | 15.888634 | 2.21927 | 1.086021 | 0.91943 | 0.25594 | 1.736075 |
O=C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1 | PSY | 4.524869 | 4.237782 | 1.169276 | 4.275493 | 4.21319 | 0.834679 | 1.208791 | 0.727734 | 0.552555 | 0.252737 | 0.956461 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)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](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C=O)CS)[C@@H](C)O | GFMNTVSNVLTNVAGTVKDKIKCKFTGGC | 229.988975 | 180.602817 | 80.569752 | 224.870938 | 178.049509 | 84.056093 | 3.439587 | 1.915419 | 1.202941 | 0.198212 | 2.172773 |
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C=O)CC(C)C)C(C)C | CCIWPECGSCVCCL | 38.221439 | 34.072524 | 16.473083 | 33.019698 | 27.847891 | 16.032015 | 1.848278 | 1.324723 | 0.915775 | 0.438805 | 1.873697 |
C.C.C.C.C.CC[C@H](C)[C@H](NC=O)C(=O)NC(CC1CNCN1)C(O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)[C@@H](C)O.CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC(CC1CNCN1)C(O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)[C@@H](C)O | GWFGKAFRSVSNFYKKHKTYIHAGLSAATL | 169.08199 | 148.652289 | 79.162052 | 185.504141 | 158.839346 | 98.634705 | 2.512412 | 1.876305 | 1.707099 | 0.442542 | 2.720687 |
N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CCCC[NH3+] | DK | 1.453673 | 0.953641 | 0.720694 | 1.726524 | 1.279052 | 0.577739 | 0.773835 | 0.540241 | 0.248941 | 0.19969 | 0.626999 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=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)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)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](CCSC)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](CCSC)C(=O)NCC(=O)N[C@@H](CCC(=O)O)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C)C(C)C | DVAHEILNEAYRKVLDQLSARKYLQSMVARGMGENLAAAAVDDRAPLT | 1,534.100818 | 1,508.245799 | 155.903259 | 1,417.448997 | 1,390.592042 | 156.528721 | 6.76572 | 2.130211 | 2.327736 | 0.12063 | 2.993288 |
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(O)N[C@H](C(=O)N[C@H](C(C)C)C(O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(O)N[C@H](C=O)Cc1c[nH]c2ccccc12)C(C)C | VGAlAvVvWlWlWlW | 43.06505 | 39.349095 | 37.013449 | 50.348554 | 46.312053 | 43.262869 | 1.612245 | 1.666546 | 1.644335 | 0.837343 | 2.767889 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(O)C(N)CC1CNCN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])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](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O)[C@@H](C)O | HFFATSTGDVVYISPFYNGTNRNASYFG | 115.061149 | 113.259288 | 67.298962 | 103.54498 | 99.624987 | 59.379717 | 2.550733 | 1.690608 | 1.615214 | 0.660364 | 3.04628 |
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)[C@@H](C)O | ELQREESPTGPPGSIRT | 43.815671 | 38.244301 | 33.519506 | 45.526942 | 40.335757 | 33.617062 | 1.780022 | 1.544837 | 1.454052 | 0.728118 | 2.566982 |
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O | QCCPTMPECCRI | 31.353754 | 24.617231 | 18.805191 | 26.763853 | 23.648699 | 17.027586 | 1.534883 | 1.293227 | 1.156436 | 0.459972 | 1.856272 |
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)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](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)C(C)C)CSSC[C@@H](C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O | AANNKATDLMARTVRRFCSDPPCRISNPESCGWEP | 417.377869 | 384.283822 | 103.28388 | 352.81747 | 327.067072 | 93.271385 | 4.006565 | 2.250063 | 1.64083 | 0.231972 | 2.759436 |
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(O)C(CC1CNCN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](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(C)C)C(=O)N[C@H](C=O)CS | GCCSNPVCHVEHSYMC | 54.546801 | 39.425191 | 28.041745 | 47.475282 | 32.591301 | 26.809253 | 1.884285 | 1.642522 | 0.937432 | 0.316311 | 1.810883 |
C[C@@H](C=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O | DAYPSGA | 7.746247 | 6.800818 | 5.589872 | 6.620794 | 5.262401 | 4.736718 | 1.187624 | 1.127033 | 0.952402 | 0.675658 | 1.651204 |
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C=O | IRA | 3.040147 | 2.64478 | 1.118883 | 4.605233 | 3.784234 | 1.80427 | 0.891857 | 0.681268 | 0.409464 | 0.307432 | 0.960203 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NC(CC1CNCN1)C(O)N[C@H](C(=O)N[C@@H](C)C=O)[C@@H](C)CC | GLFDIVKKIAGHIA | 36.687231 | 32.654317 | 16.956472 | 45.327732 | 41.697415 | 22.873788 | 1.820172 | 1.410886 | 0.974129 | 0.453385 | 2.03629 |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)CC(C)C)C(C)C)C(C)C | CQRCGWETGVGVSGFLVRILRFVVL | 123.684547 | 104.209022 | 56.418244 | 125.870092 | 104.74613 | 59.854883 | 2.624356 | 1.839968 | 1.312732 | 0.394548 | 2.431074 |
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(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)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](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(C)C | GVLGTVKNLLIGAGKSAAQSVLKTLSCKLFNDC | 502.399904 | 490.806386 | 50.854555 | 515.016242 | 503.481188 | 59.120681 | 4.780717 | 1.811004 | 1.266219 | 0.111991 | 2.300506 |
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CS | FLPAVLKVAAHILPTAICAISRRC | 155.61967 | 117.099805 | 61.590272 | 176.707933 | 136.841372 | 71.943824 | 2.921139 | 1.945152 | 1.080565 | 0.207687 | 2.006608 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)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](C(=O)N[C@@H](CC(=O)O)C(=O)NC(CC1CNCN1)C(O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCC[NH3+])[C@@H](C)CC)[C@@H](C)CC)C(C)C | DIFKLVIDHISMKARKK | 80.029361 | 63.116408 | 33.774424 | 99.272244 | 77.70388 | 46.289097 | 2.287746 | 1.682577 | 0.990385 | 0.282441 | 1.95586 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)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](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)Cc1ccccc1 | QSHISLCRWCCNCCKANKGCGFCCKF | 133.588466 | 128.868158 | 54.138845 | 111.377661 | 104.957896 | 53.857931 | 2.445422 | 1.699376 | 1.507521 | 0.455239 | 2.652582 |
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCC[NH3+] | KRPPGFSPFR | 43.000408 | 38.751935 | 11.008455 | 47.75118 | 43.761096 | 12.805447 | 2.383593 | 1.235726 | 0.77607 | 0.219452 | 1.687749 |
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(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](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)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](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)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(=O)N[C@@H](CCCNC(=N)N)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](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O | QITAAVALVEAKQARSDIEKLKEAIRDTNKAVQSV | 478.774758 | 445.624177 | 79.478433 | 490.622822 | 461.407914 | 86.296386 | 4.142226 | 2.134716 | 1.596459 | 0.138058 | 2.202129 |
C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 | DNSCTPKPSCFF | 24.34622 | 20.784119 | 17.181162 | 21.049049 | 18.740673 | 15.246984 | 1.417302 | 1.443091 | 1.175391 | 0.688652 | 2.039132 |
CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 | YPLDL | 9.079275 | 6.485889 | 4.459013 | 12.204605 | 8.620838 | 5.58971 | 1.335978 | 1.155366 | 0.513224 | 0.268547 | 1.171549 |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC(C)C)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](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C | AVLDFIKAAGKGLVTNIMEKVG | 108.07567 | 98.690925 | 35.973289 | 124.255177 | 109.983903 | 39.593411 | 2.420657 | 1.489322 | 1.194217 | 0.329249 | 2.291359 |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(O)C(CC1CNCN1)NC(O)C(CC1CNCN1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)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)NC(CC1CNCN1)C(O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)[C@@H](C)O | WYKPAAGPHHYSVGRASGLLSSFHRFPST | 173.600404 | 150.869814 | 82.63659 | 163.040819 | 146.645881 | 79.53953 | 2.68351 | 2.238749 | 1.704226 | 0.439986 | 2.824998 |
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCNC(N)=[NH2+] | RRREKQRPCDKPRR | 61.487359 | 50.570184 | 33.092749 | 66.792317 | 55.684076 | 38.063811 | 2.122319 | 1.723355 | 1.383028 | 0.469002 | 2.274256 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](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](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)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](C=O)CS)[C@@H](C)O | FLSTLLKVAFKVVPTLFCPITKKC | 119.1857 | 91.620742 | 66.633356 | 132.615471 | 111.899965 | 73.611772 | 2.259576 | 1.807613 | 1.363618 | 0.436511 | 2.639617 |
CC[C@H](C)[C@H](NC(O)C(CC1CNCN1)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C=O)CCCC[NH3+])C(C)C | VAHINVWK | 21.330899 | 20.794426 | 6.662725 | 23.377314 | 21.835621 | 9.111846 | 1.696066 | 1.051762 | 0.842799 | 0.365282 | 1.671722 |
C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCC(=O)O)[C@@H](C)O | AYFTPE | 13.096665 | 10.308592 | 5.099074 | 12.825171 | 10.661821 | 4.405654 | 1.493609 | 1.122047 | 0.724834 | 0.239005 | 1.113842 |