A0A087XYC5_POEFO Loading...

WD repeat containing, antisense to TP73

AlphaFold DB , UniProt , Accession A0A087XYC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.5Confident89.2Confident64 Ų6466.1 Ų66.132%0.31533%0.331SS..  0131.30-74.2-178.1-155.900107.3L398 V405 V407 Y441 M442 D443M1-L398 HydrophobicContact CE-CD1 3.21Å; M1-L398 HydrophobicContact SD-CD1 3.99Å; M1-V405 HydrophobicContact CE-CG1 4.31Å; M1-V407 HydrophobicContact CE-CG2 4.18Å; M1-V407 HydrophobicContact SD-CB 4.46Å; M1-V407 HydrophobicContact SD-CG1 4.4Å; M1-V407 HydrophobicContact SD-CG2 3.75Å; M1-Y441 VanDerWaalsContact CA-O 3.22Å; M1-Y441 WeakPolarHBondContact CA-O 3.13Å; M1-M442 HydrophobicContact CE-SD 3.75Å; M1-M442 HydrophobicContact CG-SD 4.24Å; M1-M442 HydrophobicContact SD-SD 3.84Å; M1-D443 VanDerWaalsContact CA-OD1 3.26Å; M1-D443 WeakPolarHBondContact CA-OD1 3.48Å; M1-D443 PolarHBondContact N-OD1 3.37Å; M1-D443 PolarHBondContact N-OD2 3.02Å
2N87.1Confident89.1Confident109 Ų10965.8 Ų65.858%0.58333%0.328SS*.EExtended strand (participates in β ladder)trans-111.8151.5179.6-67.4-41.5000109.9Y441N2-Y441 PolarHBondContact N-O 3.19Å; N2-Y441 PolarHBondContact O-N 3.46Å
3F90.4Very high89.3Confident43 Ų4361.9 Ų61.919%0.18931%0.308CS..EExtended strand (participates in β ladder)trans-119.3141.7179.8-67.2-92.9000110.3V407 V409 P410 L431 L439 C440F3-V407 HydrophobicContact CE2-CG1 3.84Å; F3-V407 HydrophobicContact CZ-CG1 3.65Å; F3-V409 HydrophobicContact CD1-CG1 4.11Å; F3-V409 HydrophobicContact CE1-CB 4.33Å; F3-V409 HydrophobicContact CE1-CG1 4.11Å; F3-V409 HydrophobicContact CE1-CG2 4.04Å; F3-P410 HydrophobicContact CB-CG 3.68Å; F3-P410 HydrophobicContact CD2-CG 3.5Å; F3-P410 HydrophobicContact CE2-CG 4.24Å; F3-P410 HydrophobicContact CG-CG 3.67Å; F3-L431 HydrophobicContact CD1-CD1 4.34Å; F3-L431 HydrophobicContact CE1-CD1 3.85Å; F3-L439 CarbonylContact C-O 3.57Å; F3-L439 VanDerWaalsContact CA-O 3.29Å; F3-L439 WeakPolarHBondContact CA-O 3.22Å; F3-C440 HydrophobicContact CD1-CB 3.94Å; F3-C440 HydrophobicContact CE1-CB 3.68Å; F3-C440 HydrophobicContact CZ-CB 4.45Å
4S91.3Very high89.6Confident18 Ų1857.5 Ų57.513%0.12629%0.286CS..PPolyproline II helixtrans-72.4167.3168.7750000111C438 L439S4-C438 PolarHBondContact O-SG 3.16Å; S4-L439 PolarHBondContact N-O 3.11Å; S4-L439 WeakPolarHBondContact OG-CD1 3.26Å; S4-L439 PolarHBondContact OG-N 3.16Å
5E89.2Confident89.9Confident139 Ų13959.3 Ų59.365%0.6529%0.292SS*.PPolyproline II helixtrans-57.5161.8158.853.1-178.9142.600112.1F7E5-F7 HydrophobicContact CG-CE1 3.92Å; E5-F7 HydrophobicContact CG-CE2 4.21Å; E5-F7 HydrophobicContact CG-CZ 3.56Å; E5-F7 WeakPolarHBondContact O-CD2 3.3Å; E5-F7 WeakPolarHBondContact O-CE2 3.45Å
6V90.8Very high90.2Very high52 Ų5257.3 Ų57.332%0.31528%0.284SS..PPolyproline II helixtrans-89.8125.5-175.3-178.70000110.2A411 Q436 L437V6-A411 HydrophobicContact CG2-CB 3.98Å; V6-Q436 HydrophobicContact CG1-CB 3.61Å; V6-Q436 HydrophobicContact CG1-CG 3.74Å; V6-L437 CarbonylContact C-O 3.56Å; V6-L437 WeakPolarHBondContact CA-O 3.41Å
7F91Very high90.6Very high20 Ų2054 Ų549%0.08827%0.268CS..EExtended strand (participates in β ladder)trans-104.3147.3178.1-55.2-76.4000111.3E5 L39 Q436 L437 L439E5-F7 HydrophobicContact CG-CE1 3.92Å; E5-F7 HydrophobicContact CG-CE2 4.21Å; E5-F7 HydrophobicContact CG-CZ 3.56Å; E5-F7 WeakPolarHBondContact O-CD2 3.3Å; E5-F7 WeakPolarHBondContact O-CE2 3.45Å; F7-L39 HydrophobicContact CE2-CD1 4.13Å; F7-L39 HydrophobicContact CE2-CD2 4.31Å; F7-L39 HydrophobicContact CZ-CB 4.03Å; F7-L39 HydrophobicContact CZ-CD1 3.93Å; F7-L39 HydrophobicContact CZ-CD2 4.37Å; F7-L39 HydrophobicContact CZ-CG 4.34Å; F7-Q436 CarbonylContact O-C 3.46Å; F7-Q436 VanDerWaalsContact O-CA 3.22Å; F7-Q436 WeakPolarHBondContact O-CA 3.29Å; F7-L437 HydrophobicContact CB-CD1 3.91Å; F7-L437 HydrophobicContact CB-CG 3.98Å; F7-L437 HydrophobicContact CD2-CD1 3.71Å; F7-L437 HydrophobicContact CG-CD1 4.27Å; F7-L437 PolarHBondContact N-O 2.58Å; F7-L437 PolarHBondContact O-N 2.99Å; F7-L439 HydrophobicContact CD2-CD1 4.14Å; F7-L439 HydrophobicContact CE2-CD1 3.82Å
8K91.7Very high90.8Very high156 Ų15654.6 Ų54.668%0.67828%0.276SS*.EExtended strand (participates in β ladder)trans-75.7144.8173.2-66.5-175.2-179179.60110.9V27K8-V27 HydrophobicContact CB-CG2 4.23Å; K8-V27 WeakPolarHBondContact O-CG2 3.18Å
9Q91.2Very high91Very high3 Ų355.3 Ų55.31%0.01428%0.281CS..  trans-152163.7173.964.598-1.400110.1G433 D435 Q436 L437Q9-G433 PolarHBondContact NE2-O 2.9Å; Q9-D435 PolarHBondContact N-O 2.73Å; Q9-D435 CarbonylContact O-C 3.58Å; Q9-D435 VanDerWaalsContact O-C 3.3Å; Q9-D435 WeakPolarHBondContact O-CA 3.39Å; Q9-D435 VanDerWaalsContact O-O 3.04Å; Q9-Q436 PolarHBondContact NE2-O 2.96Å; Q9-L437 HydrophobicContact CB-CD2 3.87Å; Q9-L437 HydrophobicContact CG-CB 4.17Å; Q9-L437 HydrophobicContact CG-CD2 4.02Å; Q9-L437 HydrophobicContact CG-CG 4.39Å
10S90.3Very high91.1Very high15 Ų1553 Ų5311%0.10527%0.271CS..SBendtrans-117.9128.2175.9-62.70000110.7H12 L13 C26 Q28S10-H12 VanDerWaalsContact C-N 3.3Å; S10-H12 PolarHBondContact O-N 2.88Å; S10-L13 WeakPolarHBondContact O-CB 3.25Å; S10-L13 WeakPolarHBondContact O-CD1 3.48Å; S10-L13 WeakPolarHBondContact O-CG 3.33Å; S10-L13 PolarHBondContact O-N 2.71Å; S10-C26 PolarHBondContact N-O 2.67Å; S10-Q28 PolarHBondContact OG-N 2.86Å
11N86.7Confident91.3Very high108 Ų10856.3 Ų56.358%0.57828%0.284SS*.THydrogen-bonded Turntrans52.539168.6-61-27.2000115.3L13N11-L13 PolarHBondContact O-N 2.91Å
12H88.5Confident91.9Very high63 Ų6356.4 Ų56.429%0.29228%0.281SS..THydrogen-bonded Turntrans62.321.5-177.3-50.8-58000114.9S10 C14 K421 L432 G433S10-H12 VanDerWaalsContact C-N 3.3Å; S10-H12 PolarHBondContact O-N 2.88Å; H12-C14 VanDerWaalsContact C-N 3.26Å; H12-C14 PolarHBondContact O-N 3Å; H12-K421 PolarHBondContact O-NZ 3.3Å; H12-K421 VanDerWaalsContact O-NZ 3.14Å; H12-L432 HydrophobicContact CB-CD1 4.15Å; H12-G433 PolarHBondContact CE1-O 2.83Å; H12-G433 PolarHBondContact ND1-O 2.73Å
13L91.6Very high92.3Very high15 Ų1551.2 Ų51.28%0.07925%0.253CS..  trans-78.276.2176.2-63.3172.4000110.9S10 N11 T25 C26 V51 M54S10-L13 WeakPolarHBondContact O-CB 3.25Å; S10-L13 WeakPolarHBondContact O-CD1 3.48Å; S10-L13 WeakPolarHBondContact O-CG 3.33Å; S10-L13 PolarHBondContact O-N 2.71Å; N11-L13 PolarHBondContact O-N 2.91Å; L13-T25 WeakPolarHBondContact O-CA 3.32Å; L13-C26 HydrophobicContact CB-CB 3.76Å; L13-C26 HydrophobicContact CD1-CB 4Å; L13-C26 PolarHBondContact O-N 3.08Å; L13-V51 HydrophobicContact CD1-CB 4.34Å; L13-V51 HydrophobicContact CD1-CG1 4.3Å; L13-V51 WeakPolarHBondContact CD1-O 3.37Å; L13-M54 HydrophobicContact CB-SD 3.91Å; L13-M54 HydrophobicContact CD2-CG 4.35Å; L13-M54 VanDerWaalsContact O-SD 3.39Å
14C93.4Very high92.6Very high0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-142.5130.3177.1146.80000108.5H12 A24 T25 K421 L432 L437H12-C14 VanDerWaalsContact C-N 3.26Å; H12-C14 PolarHBondContact O-N 3Å; C14-A24 CarbonylContact C-O 3.51Å; C14-A24 VanDerWaalsContact CA-O 3.3Å; C14-A24 WeakPolarHBondContact CA-O 3.42Å; C14-T25 HydrophobicContact CB-CG2 4.47Å; C14-K421 WeakPolarHBondContact O-CD 3.37Å; C14-K421 PolarHBondContact O-NZ 2.88Å; C14-L432 HydrophobicContact CB-CD2 3.87Å; C14-L437 HydrophobicContact CB-CD2 3.82Å
15K94.2Very high92.9Very high84 Ų8448.3 Ų48.337%0.36524%0.238SC..EExtended strand (participates in β ladder)trans-144.5135.4177.1-68.7-71.7-170.8159.50110.3A24 M54 W56K15-A24 PolarHBondContact N-O 3.06Å; K15-A24 PolarHBondContact O-N 3.14Å; K15-M54 HydrophobicContact CG-CG 4.16Å; K15-W56 PolarHBondContact O-NE1 2.98Å
16V95Very high93.2Very high27 Ų2741.7 Ų41.716%0.16421%0.207CC..EExtended strand (participates in β ladder)trans-77.9142.7165.9-1710000108.2Y22 L23 I430V16-Y22 CarbonylContact C-O 3.58Å; V16-Y22 VanDerWaalsContact CA-O 3.31Å; V16-Y22 WeakPolarHBondContact CA-O 3.29Å; V16-L23 HydrophobicContact CG2-CD1 4.32Å; V16-I430 HydrophobicContact CG2-CD1 3.3Å
17S95.9Very high93.3Very high2 Ų241.2 Ų41.21%0.01420%0.204CC..  trans-59.6149169.155.60000111.2D19 G20 K21 Y22S17-D19 VanDerWaalsContact CB-OD1 3.25Å; S17-D19 WeakPolarHBondContact CB-OD1 3.32Å; S17-D19 PolarHBondContact O-N 2.74Å; S17-D19 PolarHBondContact OG-OD1 2.62Å; S17-G20 PolarHBondContact O-N 3.06Å; S17-K21 PolarHBondContact OG-N 3.01Å; S17-Y22 PolarHBondContact N-O 3.02Å; S17-Y22 PolarHBondContact OG-N 3.26Å; S17-Y22 PolarHBondContact OG-O 3.22Å
18P94.4Very high93.4Very high64 Ų6445.7 Ų45.742%0.41623%0.225SC..THydrogen-bonded Turntrans-54-33.1176.4-31.736.7000114.9G20 W56 S57 S58 S60P18-G20 VanDerWaalsContact C-N 3.25Å; P18-G20 PolarHBondContact O-N 3.19Å; P18-W56 HydrophobicContact CG-CB 4.31Å; P18-S57 WeakPolarHBondContact CG-O 3.23Å; P18-S58 WeakPolarHBondContact CB-O 3.14Å; P18-S60 VanDerWaalsContact CD-OG 3.22Å; P18-S60 WeakPolarHBondContact CD-OG 3.33Å
19D94.3Very high93.5Very high69 Ų6942.1 Ų42.137%0.36921%0.208SC..THydrogen-bonded Turntrans-75.8-8.617675.5-11.7000114.4S17 K21 S60S17-D19 VanDerWaalsContact CB-OD1 3.25Å; S17-D19 WeakPolarHBondContact CB-OD1 3.32Å; S17-D19 PolarHBondContact O-N 2.74Å; S17-D19 PolarHBondContact OG-OD1 2.62Å; D19-K21 VanDerWaalsContact C-N 3.3Å; D19-K21 PolarHBondContact O-N 2.99Å; D19-K21 PolarHBondContact OD1-N 3.35Å; D19-K21 WeakPolarHBondContact OD2-CD 3.36Å; D19-S60 PolarHBondContact N-OG 2.83Å
20G93.6Very high93.8Very high8 Ų847.6 Ų47.68%0.08223%0.229CC..SBendtrans78.63179.300000115.7S17 P18 H423 C424S17-G20 PolarHBondContact O-N 3.06Å; P18-G20 VanDerWaalsContact C-N 3.25Å; P18-G20 PolarHBondContact O-N 3.19Å; G20-H423 WeakPolarHBondContact CA-NE2 3.5Å; G20-H423 PolarHBondContact O-NE2 3.02Å; G20-C424 WeakPolarHBondContact CA-SG 3.34Å
21K94.5Very high94.1Very high123 Ų12346.9 Ų46.954%0.53522%0.224SC..SBendtrans-87.3-28.4-173.9-63.8-176.1-172.5167.60113.5S17 D19 L36S17-K21 PolarHBondContact OG-N 3.01Å; D19-K21 VanDerWaalsContact C-N 3.3Å; D19-K21 PolarHBondContact O-N 2.99Å; D19-K21 PolarHBondContact OD1-N 3.35Å; D19-K21 WeakPolarHBondContact OD2-CD 3.36Å; K21-L36 WeakPolarHBondContact O-CB 3.15Å; K21-L36 PolarHBondContact O-N 3.05Å
22Y95.6Very high94.5Very high67 Ų6742.2 Ų42.226%0.26320%0.199SC..EExtended strand (participates in β ladder)trans-122.9144.7-168.8-50.3-65000112.2V16 S17 R34 L42 W56 L78V16-Y22 CarbonylContact C-O 3.58Å; V16-Y22 VanDerWaalsContact CA-O 3.31Å; V16-Y22 WeakPolarHBondContact CA-O 3.29Å; S17-Y22 PolarHBondContact N-O 3.02Å; S17-Y22 PolarHBondContact OG-N 3.26Å; S17-Y22 PolarHBondContact OG-O 3.22Å; Y22-R34 CarbonylContact C-O 3.56Å; Y22-R34 VanDerWaalsContact CA-O 3.29Å; Y22-R34 WeakPolarHBondContact CA-O 3.32Å; Y22-L42 HydrophobicContact CD1-CD1 3.44Å; Y22-L42 VanDerWaalsContact CD1-CD1 3.44Å; Y22-L42 HydrophobicContact CE1-CD1 3.39Å; Y22-W56 HydrophobicContact CD2-CH2 4.41Å; Y22-W56 HydrophobicContact CG-CH2 4.33Å; Y22-L78 HydrophobicContact CD2-CD1 3.86Å; Y22-L78 HydrophobicContact CE2-CD1 4.04Å; Y22-L78 HydrophobicContact CG-CD1 4.25Å
23L95.6Very high94.9Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-113.3113.8171.2178.262.7000109.6V16 T25 V33 R34 L36 I430 L437 L439V16-L23 HydrophobicContact CG2-CD1 4.32Å; L23-T25 HydrophobicContact CD1-CG2 4.41Å; L23-T25 HydrophobicContact CD2-CG2 4.17Å; L23-T25 HydrophobicContact CG-CG2 3.93Å; L23-V33 WeakPolarHBondContact O-CA 3.46Å; L23-R34 PolarHBondContact N-O 3.22Å; L23-R34 PolarHBondContact O-N 2.91Å; L23-L36 HydrophobicContact CB-CD1 3.76Å; L23-L36 HydrophobicContact CD2-CD1 4.47Å; L23-I430 HydrophobicContact CD1-CD1 3.68Å; L23-L437 HydrophobicContact CD2-CD1 4.38Å; L23-L439 HydrophobicContact CD2-CD1 4.18Å
24A96.3Very high95.1Very high0 Ų039.6 Ų39.60%019%0.186CC..EExtended strand (participates in β ladder)trans-94.4130.3170.500000110.3C14 K15 L31 V32 V33 M54 W56 I63C14-A24 CarbonylContact C-O 3.51Å; C14-A24 VanDerWaalsContact CA-O 3.3Å; C14-A24 WeakPolarHBondContact CA-O 3.42Å; K15-A24 PolarHBondContact N-O 3.06Å; K15-A24 PolarHBondContact O-N 3.14Å; A24-L31 HydrophobicContact CB-CD1 4.04Å; A24-V32 WeakPolarHBondContact CA-O 3.22Å; A24-V33 HydrophobicContact CB-CG2 4.47Å; A24-M54 HydrophobicContact CB-CE 3.37Å; A24-W56 HydrophobicContact CB-CH2 4.4Å; A24-W56 HydrophobicContact CB-CZ2 3.4Å; A24-I63 HydrophobicContact CB-CD1 4.2Å
25T96.3Very high95.2Very high0 Ų041 Ų410%019%0.193CC..EExtended strand (participates in β ladder)trans-131.1132.2177.464.30000109.7L13 C14 L23 V32 R34 L437L13-T25 WeakPolarHBondContact O-CA 3.32Å; C14-T25 HydrophobicContact CB-CG2 4.47Å; L23-T25 HydrophobicContact CD1-CG2 4.41Å; L23-T25 HydrophobicContact CD2-CG2 4.17Å; L23-T25 HydrophobicContact CG-CG2 3.93Å; T25-V32 PolarHBondContact N-O 2.95Å; T25-V32 PolarHBondContact O-N 3.45Å; T25-V32 PolarHBondContact OG1-O 2.84Å; T25-R34 PolarHBondContact OG1-NH1 2.91Å; T25-L437 HydrophobicContact CG2-CD2 3.66Å
26C95.4Very high95.1Very high0 Ų037.7 Ų37.70%018%0.18CC..EExtended strand (participates in β ladder)trans-99.3133.2171.3-66.40000111S10 L13 R30 V51 M54S10-C26 PolarHBondContact N-O 2.67Å; L13-C26 HydrophobicContact CB-CB 3.76Å; L13-C26 HydrophobicContact CD1-CB 4Å; L13-C26 PolarHBondContact O-N 3.08Å; C26-R30 CarbonylContact C-O 3.43Å; C26-R30 VanDerWaalsContact CA-O 3.32Å; C26-R30 WeakPolarHBondContact CA-O 3.47Å; C26-V51 HydrophobicContact CB-CB 4.26Å; C26-V51 HydrophobicContact CB-CG1 4.47Å; C26-M54 HydrophobicContact CB-SD 4.29Å; C26-M54 VanDerWaalsContact SG-CE 3.56Å
27V94Very high94.8Very high41 Ų4141.2 Ų41.225%0.24821%0.206CC..EExtended strand (participates in β ladder)trans-122.1102.3170.8-175.80000107.4K8 Y29 R30K8-V27 HydrophobicContact CB-CG2 4.23Å; K8-V27 WeakPolarHBondContact O-CG2 3.18Å; V27-Y29 PolarHBondContact O-N 3.21Å; V27-R30 PolarHBondContact N-O 2.9Å; V27-R30 PolarHBondContact O-N 2.95Å
28Q92.9Very high94.6Very high114 Ų11444.8 Ų44.853%0.53323%0.227SC..THydrogen-bonded Turntrans54.2-103.7-171.9-58.3177.5-17.400112.3S10 V51S10-Q28 PolarHBondContact OG-N 2.86Å; Q28-V51 PolarHBondContact O-N 2.92Å
29Y94.6Very high94.5Very high81 Ų8143 Ų4332%0.31821%0.214SC..THydrogen-bonded Turntrans-101.4-0.8-179.863.7-92.2000113V27 T46 C47 D49V27-Y29 PolarHBondContact O-N 3.21Å; Y29-T46 HydrophobicContact CD2-CG2 3.79Å; Y29-T46 HydrophobicContact CE2-CG2 3.88Å; Y29-C47 WeakPolarHBondContact O-CA 3.42Å; Y29-C47 VanDerWaalsContact O-CB 3.27Å; Y29-C47 WeakPolarHBondContact O-CB 3.27Å; Y29-C47 PolarHBondContact O-N 3.36Å; Y29-D49 WeakPolarHBondContact CA-O 3.33Å; Y29-D49 VanDerWaalsContact CB-O 3.32Å; Y29-D49 WeakPolarHBondContact CB-O 3.44Å
30R96.4Very high94.5Very high118 Ų11846.2 Ų46.245%0.44523%0.227SC..EExtended strand (participates in β ladder)trans-100.9129.5-178.8-62.5-176.8-177173-1.6110.6C26 V27 Y45C26-R30 CarbonylContact C-O 3.43Å; C26-R30 VanDerWaalsContact CA-O 3.32Å; C26-R30 WeakPolarHBondContact CA-O 3.47Å; V27-R30 PolarHBondContact N-O 2.9Å; V27-R30 PolarHBondContact O-N 2.95Å; R30-Y45 WeakPolarHBondContact CA-O 3.28Å
31L96.2Very high94.6Very high0 Ų050.7 Ų50.70%025%0.248CC..EExtended strand (participates in β ladder)trans-97.7122168.8169.766000108.3A24 V33 L44 Y45 M54 I63 W76A24-L31 HydrophobicContact CB-CD1 4.04Å; L31-V33 HydrophobicContact CG-CG2 4.32Å; L31-L44 WeakPolarHBondContact O-CA 3.23Å; L31-Y45 HydrophobicContact CD2-CD2 3.71Å; L31-Y45 HydrophobicContact CD2-CE2 4.48Å; L31-Y45 HydrophobicContact CD2-CG 4.43Å; L31-Y45 HydrophobicContact CG-CD2 4.1Å; L31-Y45 PolarHBondContact N-O 2.94Å; L31-Y45 PolarHBondContact O-N 3.49Å; L31-M54 HydrophobicContact CD1-CE 3.5Å; L31-M54 VanDerWaalsContact CD1-CE 3.5Å; L31-I63 HydrophobicContact CD1-CG2 4.2Å; L31-I63 HydrophobicContact CD2-CB 4.08Å; L31-I63 HydrophobicContact CD2-CD1 3.98Å; L31-I63 HydrophobicContact CD2-CG2 3.76Å; L31-W76 HydrophobicContact CD2-CG 4.37Å
32V96.4Very high94.6Very high11 Ų1148.8 Ų48.87%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-114123.7176.8-1650000108.4A24 T25 I41 L44A24-V32 WeakPolarHBondContact CA-O 3.22Å; T25-V32 PolarHBondContact N-O 2.95Å; T25-V32 PolarHBondContact O-N 3.45Å; T25-V32 PolarHBondContact OG1-O 2.84Å; V32-I41 HydrophobicContact CG1-CB 4.44Å; V32-I41 HydrophobicContact CG1-CD1 4.02Å; V32-I41 HydrophobicContact CG1-CG1 3.89Å; V32-I41 HydrophobicContact CG1-CG2 3.78Å; V32-L44 HydrophobicContact CB-CD1 4.43Å; V32-L44 HydrophobicContact CG1-CD1 4.34Å; V32-L44 HydrophobicContact CG2-CD1 3.81Å
33V96.6Very high94.5Very high0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-108.9125.6175.6-174.30000108.6L23 A24 L31 L42 Q43 Y45 W56 I63 L78L23-V33 WeakPolarHBondContact O-CA 3.46Å; A24-V33 HydrophobicContact CB-CG2 4.47Å; L31-V33 HydrophobicContact CG-CG2 4.32Å; V33-L42 PolarHBondContact O-N 2.82Å; V33-Q43 HydrophobicContact CB-CB 4.23Å; V33-Q43 HydrophobicContact CG2-CB 4.48Å; V33-Q43 PolarHBondContact N-O 3.46Å; V33-Q43 PolarHBondContact O-N 3.26Å; V33-Y45 HydrophobicContact CG2-CE2 4.25Å; V33-W56 HydrophobicContact CG1-CH2 3.89Å; V33-W56 HydrophobicContact CG1-CZ2 4.3Å; V33-I63 HydrophobicContact CG2-CD1 3.39Å; V33-L78 HydrophobicContact CB-CD2 4.33Å; V33-L78 HydrophobicContact CG1-CD2 3.97Å; V33-L78 HydrophobicContact CG2-CD2 4.11Å
34R95.9Very high94.5Very high22 Ų2253.2 Ų53.28%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-115.8150.5177.7-66.7175.9-171.576.7-1.4110.9Y22 L23 T25 L39 Q40 I41Y22-R34 CarbonylContact C-O 3.56Å; Y22-R34 VanDerWaalsContact CA-O 3.29Å; Y22-R34 WeakPolarHBondContact CA-O 3.32Å; L23-R34 PolarHBondContact N-O 3.22Å; L23-R34 PolarHBondContact O-N 2.91Å; T25-R34 PolarHBondContact OG1-NH1 2.91Å; R34-L39 WeakPolarHBondContact CD-O 3.42Å; R34-Q40 CarbonylContact C-O 3.49Å; R34-Q40 WeakPolarHBondContact CA-O 3.43Å; R34-Q40 WeakPolarHBondContact CB-O 3.36Å; R34-I41 HydrophobicContact CG-CG1 4.04Å
35D94.7Very high94.5Very high29 Ų2953.9 Ų53.916%0.15527%0.272CS..EExtended strand (participates in β ladder)trans-70.2132160.5171.335.7000109S37 T38 L39 Q40 L42D35-S37 VanDerWaalsContact C-N 3.3Å; D35-S37 PolarHBondContact OD1-N 3.04Å; D35-S37 PolarHBondContact OD1-OG 2.66Å; D35-S37 PolarHBondContact OD2-OG 3.01Å; D35-T38 WeakPolarHBondContact CB-OG1 3.09Å; D35-T38 WeakPolarHBondContact OD2-CB 3.39Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.49Å; D35-T38 PolarHBondContact OD2-N 3.11Å; D35-T38 PolarHBondContact OD2-OG1 3.12Å; D35-L39 WeakPolarHBondContact O-CA 3.41Å; D35-L39 PolarHBondContact O-N 2.89Å; D35-Q40 PolarHBondContact N-O 3.12Å; D35-L42 HydrophobicContact CB-CD1 4Å; D35-L42 HydrophobicContact CB-CD2 4.32Å; D35-L42 HydrophobicContact CB-CG 4.14Å
36L91.5Very high94.5Very high16 Ų1657.9 Ų57.98%0.08430%0.296CS..THydrogen-bonded Turntrans-74-25.2-178-157.990.3000112.1K21 L23 H423 L439K21-L36 WeakPolarHBondContact O-CB 3.15Å; K21-L36 PolarHBondContact O-N 3.05Å; L23-L36 HydrophobicContact CB-CD1 3.76Å; L23-L36 HydrophobicContact CD2-CD1 4.47Å; L36-H423 WeakPolarHBondContact CD2-CD2 3.33Å; L36-H423 WeakPolarHBondContact CD2-NE2 3.21Å; L36-L439 HydrophobicContact CD1-CD2 3.72Å; L36-L439 HydrophobicContact CG-CD2 4.23Å
37S89.3Confident94.5Very high101 Ų10158.1 Ų58.171%0.70630%0.298SS*.THydrogen-bonded Turntrans-78.3-42.9-177.380.50000112.4D35D35-S37 VanDerWaalsContact C-N 3.3Å; D35-S37 PolarHBondContact OD1-N 3.04Å; D35-S37 PolarHBondContact OD1-OG 2.66Å; D35-S37 PolarHBondContact OD2-OG 3.01Å
38T91.8Very high94.5Very high76 Ų7660.9 Ų60.947%0.46631%0.31SS..THydrogen-bonded Turntrans-101.6-14.1-179.261.30000113.9D35 Q40D35-T38 WeakPolarHBondContact CB-OG1 3.09Å; D35-T38 WeakPolarHBondContact OD2-CB 3.39Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.49Å; D35-T38 PolarHBondContact OD2-N 3.11Å; D35-T38 PolarHBondContact OD2-OG1 3.12Å; T38-Q40 PolarHBondContact O-N 3.4Å; T38-Q40 VanDerWaalsContact O-N 3.12Å; T38-Q40 PolarHBondContact OG1-N 2.88Å
39L92.4Very high94.6Very high28 Ų2857.8 Ų57.815%0.14730%0.297CS..  trans59.611.5-171.4-57.5173.7000114.5F7 R34 D35 L439F7-L39 HydrophobicContact CE2-CD1 4.13Å; F7-L39 HydrophobicContact CE2-CD2 4.31Å; F7-L39 HydrophobicContact CZ-CB 4.03Å; F7-L39 HydrophobicContact CZ-CD1 3.93Å; F7-L39 HydrophobicContact CZ-CD2 4.37Å; F7-L39 HydrophobicContact CZ-CG 4.34Å; R34-L39 WeakPolarHBondContact CD-O 3.42Å; D35-L39 WeakPolarHBondContact O-CA 3.41Å; D35-L39 PolarHBondContact O-N 2.89Å; L39-L439 HydrophobicContact CD2-CD1 3.94Å; L39-L439 HydrophobicContact CD2-CD2 4.45Å
40Q94.5Very high94.6Very high135 Ų13557.4 Ų57.463%0.63130%0.299SS*.  trans-74145.5176.4-66.7-174.5-3.200111.4R34 D35 T38 L42R34-Q40 CarbonylContact C-O 3.49Å; R34-Q40 WeakPolarHBondContact CA-O 3.43Å; R34-Q40 WeakPolarHBondContact CB-O 3.36Å; D35-Q40 PolarHBondContact N-O 3.12Å; T38-Q40 PolarHBondContact O-N 3.4Å; T38-Q40 VanDerWaalsContact O-N 3.12Å; T38-Q40 PolarHBondContact OG1-N 2.88Å; Q40-L42 PolarHBondContact O-N 3.05Å
41I95.7Very high94.6Very high102 Ų10251.9 Ų51.952%0.52328%0.278SS..EExtended strand (participates in β ladder)trans-74.4118.7176.2-59.9172.5000108.5V32 R34V32-I41 HydrophobicContact CG1-CB 4.44Å; V32-I41 HydrophobicContact CG1-CD1 4.02Å; V32-I41 HydrophobicContact CG1-CG1 3.89Å; V32-I41 HydrophobicContact CG1-CG2 3.78Å; R34-I41 HydrophobicContact CG-CG1 4.04Å
42L94.3Very high94.5Very high84 Ų8454.1 Ų54.144%0.4429%0.294SS..EExtended strand (participates in β ladder)trans-89-46.4175.7-64.3177.5000111.4Y22 V33 D35 Q40Y22-L42 HydrophobicContact CD1-CD1 3.44Å; Y22-L42 VanDerWaalsContact CD1-CD1 3.44Å; Y22-L42 HydrophobicContact CE1-CD1 3.39Å; V33-L42 PolarHBondContact O-N 2.82Å; D35-L42 HydrophobicContact CB-CD1 4Å; D35-L42 HydrophobicContact CB-CD2 4.32Å; D35-L42 HydrophobicContact CB-CG 4.14Å; Q40-L42 PolarHBondContact O-N 3.05Å
43Q94.1Very high94.5Very high63 Ų6356.4 Ų56.429%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-139.8146-175.8-64.4-64.1-13.500111.3V33 Y45 L78V33-Q43 HydrophobicContact CB-CB 4.23Å; V33-Q43 HydrophobicContact CG2-CB 4.48Å; V33-Q43 PolarHBondContact N-O 3.46Å; V33-Q43 PolarHBondContact O-N 3.26Å; Q43-Y45 HydrophobicContact CB-CD2 4.3Å; Q43-Y45 HydrophobicContact CB-CE2 3.51Å; Q43-Y45 HydrophobicContact CG-CE2 4.27Å; Q43-L78 HydrophobicContact CG-CD2 4.26Å
44L95.6Very high94.5Very high97 Ų9756.5 Ų56.551%0.50830%0.304SS..EExtended strand (participates in β ladder)trans-131.8112.7176.5-175.585000109L31 V32L31-L44 WeakPolarHBondContact O-CA 3.23Å; V32-L44 HydrophobicContact CB-CD1 4.43Å; V32-L44 HydrophobicContact CG1-CD1 4.34Å; V32-L44 HydrophobicContact CG2-CD1 3.81Å
45Y95.6Very high94.5Very high14 Ų1458.1 Ų58.16%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-110.6147.7177.3-51.8-81.1000111R30 L31 V33 Q43 W76 S77 L78R30-Y45 WeakPolarHBondContact CA-O 3.28Å; L31-Y45 HydrophobicContact CD2-CD2 3.71Å; L31-Y45 HydrophobicContact CD2-CE2 4.48Å; L31-Y45 HydrophobicContact CD2-CG 4.43Å; L31-Y45 HydrophobicContact CG-CD2 4.1Å; L31-Y45 PolarHBondContact N-O 2.94Å; L31-Y45 PolarHBondContact O-N 3.49Å; V33-Y45 HydrophobicContact CG2-CE2 4.25Å; Q43-Y45 HydrophobicContact CB-CD2 4.3Å; Q43-Y45 HydrophobicContact CB-CE2 3.51Å; Q43-Y45 HydrophobicContact CG-CE2 4.27Å; Y45-W76 HydrophobicContact CD1-CB 4.23Å; Y45-W76 AromaticContact CD1-CD2 3.69Å; Y45-W76 HydrophobicContact CD1-CD2 3.69Å; Y45-W76 AromaticContact CD1-CE3 3.43Å; Y45-W76 HydrophobicContact CD1-CE3 3.43Å; Y45-W76 VanDerWaalsContact CD1-CE3 3.43Å; Y45-W76 HydrophobicContact CD1-CG 4.04Å; Y45-W76 HydrophobicContact CD1-CZ3 4.02Å; Y45-W76 HydrophobicContact CD2-CB 4.2Å; Y45-W76 HydrophobicContact CD2-CG 4.2Å; Y45-W76 HydrophobicContact CE1-CB 4.18Å; Y45-W76 HydrophobicContact CE1-CD2 4.37Å; Y45-W76 AromaticContact CE1-CE3 3.98Å; Y45-W76 HydrophobicContact CE1-CE3 3.98Å; Y45-W76 HydrophobicContact CE1-CG 4.48Å; Y45-W76 HydrophobicContact CE2-CB 4.14Å; Y45-W76 HydrophobicContact CG-CB 4.23Å; Y45-W76 AromaticContact CG-CD2 3.8Å; Y45-W76 HydrophobicContact CG-CD2 3.8Å; Y45-W76 HydrophobicContact CG-CE3 4.03Å; Y45-W76 AromaticContact CG-CG 3.88Å; Y45-W76 HydrophobicContact CG-CG 3.88Å; Y45-S77 PolarHBondContact OH-O 2.67Å; Y45-L78 HydrophobicContact CE2-CD2 4.43Å
46T95.9Very high94.6Very high83 Ų8357.4 Ų57.451%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-113112.6178.2-61.90000109Y29Y29-T46 HydrophobicContact CD2-CG2 3.79Å; Y29-T46 HydrophobicContact CE2-CG2 3.88Å
47C95.8Very high94.9Very high6 Ų656.6 Ų56.64%0.04130%0.304CS..  trans-80160.2174.5-61.60000111.3Y29 D49 V51 M67 Q74Y29-C47 WeakPolarHBondContact O-CA 3.42Å; Y29-C47 VanDerWaalsContact O-CB 3.27Å; Y29-C47 WeakPolarHBondContact O-CB 3.27Å; Y29-C47 PolarHBondContact O-N 3.36Å; C47-D49 VanDerWaalsContact C-N 3.26Å; C47-D49 PolarHBondContact O-N 3.23Å; C47-V51 HydrophobicContact CB-CG2 3.96Å; C47-M67 HydrophobicContact CB-SD 4.07Å; C47-Q74 VanDerWaalsContact CA-OE1 3.23Å
48L95.1Very high95.1Very high98 Ų9854.7 Ų54.751%0.51329%0.29SS..SBendtrans-70.8-20.8-178.1-67172.6000113.7M67 L72 K86L48-M67 HydrophobicContact CB-SD 4.18Å; L48-L72 HydrophobicContact CD1-CD1 4.17Å; L48-K86 HydrophobicContact CD1-CD 4.43Å
49D94.7Very high95.3Very high49 Ų4953.6 Ų53.626%0.26228%0.282SS..SBendtrans-154.4-179.8177.8-152.4-16.9000110.7Y29 C47 V51 M67 R70Y29-D49 WeakPolarHBondContact CA-O 3.33Å; Y29-D49 VanDerWaalsContact CB-O 3.32Å; Y29-D49 WeakPolarHBondContact CB-O 3.44Å; C47-D49 VanDerWaalsContact C-N 3.26Å; C47-D49 PolarHBondContact O-N 3.23Å; D49-V51 PolarHBondContact O-N 2.86Å; D49-M67 HydrophobicContact CB-CB 4.43Å; D49-M67 HydrophobicContact CB-CG 4.26Å; D49-M67 HydrophobicContact CB-SD 4.06Å; D49-M67 PolarHBondContact N-SD 2.78Å; D49-M67 VanDerWaalsContact N-SD 3.42Å; D49-R70 HydrophobicContact CB-CG 4.25Å; D49-R70 WeakPolarHBondContact OD2-CD 3.28Å; D49-R70 WeakPolarHBondContact OD2-CG 3.24Å; D49-R70 IonicContact OD2-CZ 3.9Å; D49-R70 IonicContact OD2-NE 3.68Å; D49-R70 PolarHBondContact OD2-NE 2.78Å; D49-R70 IonicContact OD2-NH2 3.32Å
50Q94.4Very high95.5Very high74 Ų7452.5 Ų52.535%0.34628%0.276SS..  trans-55.8119.8173.2-173.5177.512.800111S52Q50-S52 PolarHBondContact O-N 2.82Å
51V96.1Very high95.5Very high1 Ų148.1 Ų48.11%0.00626%0.257CS..  trans-67.6127.6176.3-176.20000108.4L13 C26 Q28 C47 D49 H53 C65L13-V51 HydrophobicContact CD1-CB 4.34Å; L13-V51 HydrophobicContact CD1-CG1 4.3Å; L13-V51 WeakPolarHBondContact CD1-O 3.37Å; C26-V51 HydrophobicContact CB-CB 4.26Å; C26-V51 HydrophobicContact CB-CG1 4.47Å; Q28-V51 PolarHBondContact O-N 2.92Å; C47-V51 HydrophobicContact CB-CG2 3.96Å; D49-V51 PolarHBondContact O-N 2.86Å; V51-H53 WeakPolarHBondContact CG1-O 3.39Å; V51-C65 HydrophobicContact CG1-CB 4.05Å; V51-C65 HydrophobicContact CG2-CB 4.19Å
52S95.1Very high95.5Very high48 Ų4844.6 Ų44.634%0.33624%0.238SC..  trans-99.8-29.4178-57.50000111.8Q50 A66Q50-S52 PolarHBondContact O-N 2.82Å; S52-A66 PolarHBondContact N-O 2.82Å
53H95.6Very high95.7Very high58 Ų5840.6 Ų40.627%0.26922%0.217SC..EExtended strand (participates in β ladder)trans-147.8148.2178.9-177.578000111V51 A66 Y68V51-H53 WeakPolarHBondContact CG1-O 3.39Å; H53-A66 HydrophobicContact CB-CB 4.2Å; H53-A66 PolarHBondContact N-O 2.86Å; H53-A66 PolarHBondContact O-N 3.18Å; H53-Y68 HydrophobicContact CB-CE2 3.79Å; H53-Y68 VanDerWaalsContact CB-OH 3.27Å; H53-Y68 WeakPolarHBondContact CB-OH 3.26Å
54M96.1Very high95.8Very high3 Ų337.6 Ų37.62%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-140.9143.8175.877.8-174.4-57.400112.2L13 K15 A24 C26 L31 I63 L64L13-M54 HydrophobicContact CB-SD 3.91Å; L13-M54 HydrophobicContact CD2-CG 4.35Å; L13-M54 VanDerWaalsContact O-SD 3.39Å; K15-M54 HydrophobicContact CG-CG 4.16Å; A24-M54 HydrophobicContact CB-CE 3.37Å; C26-M54 HydrophobicContact CB-SD 4.29Å; C26-M54 VanDerWaalsContact SG-CE 3.56Å; L31-M54 HydrophobicContact CD1-CE 3.5Å; L31-M54 VanDerWaalsContact CD1-CE 3.5Å; M54-I63 HydrophobicContact CE-CG2 4.44Å; M54-L64 VanDerWaalsContact CA-O 3.22Å; M54-L64 WeakPolarHBondContact CA-O 3.28Å
55E96.8Very high95.9Very high55 Ų5533 Ų3326%0.25718%0.178SC..EExtended strand (participates in β ladder)trans-150.5140.8178.2-162177-153.700111.6L64 R98 W99E55-L64 PolarHBondContact N-O 2.7Å; E55-L64 PolarHBondContact O-N 2.93Å; E55-R98 VanDerWaalsContact OE2-CA 3.28Å; E55-R98 WeakPolarHBondContact OE2-CA 3.4Å; E55-W99 PolarHBondContact O-NE1 2.88Å; E55-W99 VanDerWaalsContact O-NE1 3.13Å; E55-W99 PolarHBondContact OE2-N 2.84Å
56W97.3Very high96Very high14 Ų1432.3 Ų32.35%0.05318%0.176CC..EExtended strand (participates in β ladder)trans-81.6144.8170.6-72.597.9000110.5K15 P18 Y22 A24 V33 S60 F62 I63 L78 W99K15-W56 PolarHBondContact O-NE1 2.98Å; P18-W56 HydrophobicContact CG-CB 4.31Å; Y22-W56 HydrophobicContact CD2-CH2 4.41Å; Y22-W56 HydrophobicContact CG-CH2 4.33Å; A24-W56 HydrophobicContact CB-CH2 4.4Å; A24-W56 HydrophobicContact CB-CZ2 3.4Å; V33-W56 HydrophobicContact CG1-CH2 3.89Å; V33-W56 HydrophobicContact CG1-CZ2 4.3Å; W56-S60 WeakPolarHBondContact CZ3-O 3.33Å; W56-F62 WeakPolarHBondContact CA-O 3.2Å; W56-I63 HydrophobicContact CD2-CD1 4.45Å; W56-I63 HydrophobicContact CD2-CG1 3.85Å; W56-I63 HydrophobicContact CE3-CD1 4.09Å; W56-I63 HydrophobicContact CE3-CG1 3.42Å; W56-I63 VanDerWaalsContact CE3-CG1 3.42Å; W56-I63 HydrophobicContact CH2-CD1 3.47Å; W56-I63 VanDerWaalsContact CH2-CD1 3.47Å; W56-I63 HydrophobicContact CH2-CG1 3.8Å; W56-I63 HydrophobicContact CZ2-CD1 3.89Å; W56-I63 HydrophobicContact CZ2-CG1 4.2Å; W56-I63 HydrophobicContact CZ3-CD1 3.58Å; W56-I63 HydrophobicContact CZ3-CG1 3.37Å; W56-L78 HydrophobicContact CH2-CD1 3.67Å; W56-L78 HydrophobicContact CH2-CG 4.38Å; W56-L78 HydrophobicContact CZ3-CD1 3.46Å; W56-L78 VanDerWaalsContact CZ3-CD1 3.46Å; W56-L78 HydrophobicContact CZ3-CG 4.05Å; W56-W99 VanDerWaalsContact O-CD1 3.3Å
57S97Very high96Very high0 Ų028.4 Ų28.40%015%0.152CC..  trans-63.2154.9163.660.40000110.2P18 D59 S60 L61 F62P18-S57 WeakPolarHBondContact CG-O 3.23Å; S57-D59 VanDerWaalsContact CB-OD1 3.29Å; S57-D59 WeakPolarHBondContact CB-OD1 3.46Å; S57-D59 PolarHBondContact O-N 3.47Å; S57-D59 PolarHBondContact OG-OD1 2.85Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-L61 PolarHBondContact OG-N 2.6Å; S57-F62 PolarHBondContact N-O 3.24Å; S57-F62 PolarHBondContact OG-N 2.79Å; S57-F62 PolarHBondContact OG-O 2.69Å
58S94.5Very high95.9Very high60 Ų6030.6 Ų30.642%0.4216%0.16SC..THydrogen-bonded Turntrans-59.1-27.9-177.5520000113.9P18 P101 G103P18-S58 WeakPolarHBondContact CB-O 3.14Å; S58-P101 VanDerWaalsContact CB-O 3.24Å; S58-P101 WeakPolarHBondContact CB-O 3.3Å; S58-P101 PolarHBondContact OG-O 2.76Å; S58-G103 PolarHBondContact OG-N 3.35Å
59D94.9Very high95.8Very high54 Ų5434.4 Ų34.429%0.28917%0.172SC..THydrogen-bonded Turntrans-903.4176.764.7-3.2000114.2S57 L61 R104S57-D59 VanDerWaalsContact CB-OD1 3.29Å; S57-D59 WeakPolarHBondContact CB-OD1 3.46Å; S57-D59 PolarHBondContact O-N 3.47Å; S57-D59 PolarHBondContact OG-OD1 2.85Å; D59-L61 HydrophobicContact CB-CG 4.26Å; D59-L61 PolarHBondContact O-N 2.97Å; D59-L61 PolarHBondContact OD1-N 3.49Å; D59-L61 WeakPolarHBondContact OD2-CD1 3.33Å; D59-R104 IonicContact OD1-NH1 2.69Å; D59-R104 IonicContact OD2-CZ 2.76Å; D59-R104 IonicContact OD2-NH1 2.75Å; D59-R104 PolarHBondContact OD2-NH1 3.2Å; D59-R104 IonicContact OD2-NH2 3.18Å; D59-R104 PolarHBondContact OD2-NH2 2.75Å
60S95.9Very high95.7Very high5 Ų538.9 Ų38.94%0.03519%0.185CC..SBendtrans64.79.3-178.6-47.80000115.7P18 D19 W56 S57P18-S60 VanDerWaalsContact CD-OG 3.22Å; P18-S60 WeakPolarHBondContact CD-OG 3.33Å; D19-S60 PolarHBondContact N-OG 2.83Å; W56-S60 WeakPolarHBondContact CZ3-O 3.33Å; S57-S60 PolarHBondContact O-N 3.36Å
61L94.9Very high95.7Very high43 Ų4335.4 Ų35.423%0.22517%0.17CC..SBendtrans-86.6-28.1-176.2-61.9-174.4000113.7S57 D59 L78 E79S57-L61 PolarHBondContact OG-N 2.6Å; D59-L61 HydrophobicContact CB-CG 4.26Å; D59-L61 PolarHBondContact O-N 2.97Å; D59-L61 PolarHBondContact OD1-N 3.49Å; D59-L61 WeakPolarHBondContact OD2-CD1 3.33Å; L61-L78 PolarHBondContact O-N 3.13Å; L61-E79 HydrophobicContact CD2-CG 3.97Å; L61-E79 WeakPolarHBondContact CD2-OE1 3.47Å
62F96.6Very high95.7Very high27 Ų2736 Ų3612%0.11817%0.172CC..EExtended strand (participates in β ladder)trans-123.5149.5-174.8-58.1-82.5000112W56 S57 V75 W76 W83 W99W56-F62 WeakPolarHBondContact CA-O 3.2Å; S57-F62 PolarHBondContact N-O 3.24Å; S57-F62 PolarHBondContact OG-N 2.79Å; S57-F62 PolarHBondContact OG-O 2.69Å; F62-V75 HydrophobicContact CB-CG1 3.9Å; F62-V75 HydrophobicContact CD1-CG1 4.22Å; F62-V75 HydrophobicContact CG-CG1 4.42Å; F62-W76 CarbonylContact C-O 3.54Å; F62-W76 VanDerWaalsContact CA-O 3.25Å; F62-W76 WeakPolarHBondContact CA-O 3.27Å; F62-W83 HydrophobicContact CD1-CE3 4.09Å; F62-W83 HydrophobicContact CD1-CH2 4.07Å; F62-W83 AromaticContact CD1-CZ3 3.55Å; F62-W83 HydrophobicContact CD1-CZ3 3.55Å; F62-W83 HydrophobicContact CE1-CD2 4.37Å; F62-W83 AromaticContact CE1-CE3 3.82Å; F62-W83 HydrophobicContact CE1-CE3 3.82Å; F62-W83 AromaticContact CE1-CH2 3.88Å; F62-W83 HydrophobicContact CE1-CH2 3.88Å; F62-W83 HydrophobicContact CE1-CZ2 4.41Å; F62-W83 AromaticContact CE1-CZ3 3.57Å; F62-W83 HydrophobicContact CE1-CZ3 3.57Å; F62-W99 HydrophobicContact CB-CH2 3.61Å; F62-W99 HydrophobicContact CB-CZ2 3.59Å; F62-W99 HydrophobicContact CG-CH2 4.18Å
63I97Very high95.8Very high0 Ų033.7 Ų33.70%016%0.156CC..EExtended strand (participates in β ladder)trans-124121.2173.9-54.6167.1000108.5A24 L31 V33 M54 W56 V75 W76 L78A24-I63 HydrophobicContact CB-CD1 4.2Å; L31-I63 HydrophobicContact CD1-CG2 4.2Å; L31-I63 HydrophobicContact CD2-CB 4.08Å; L31-I63 HydrophobicContact CD2-CD1 3.98Å; L31-I63 HydrophobicContact CD2-CG2 3.76Å; V33-I63 HydrophobicContact CG2-CD1 3.39Å; M54-I63 HydrophobicContact CE-CG2 4.44Å; W56-I63 HydrophobicContact CD2-CD1 4.45Å; W56-I63 HydrophobicContact CD2-CG1 3.85Å; W56-I63 HydrophobicContact CE3-CD1 4.09Å; W56-I63 HydrophobicContact CE3-CG1 3.42Å; W56-I63 VanDerWaalsContact CE3-CG1 3.42Å; W56-I63 HydrophobicContact CH2-CD1 3.47Å; W56-I63 VanDerWaalsContact CH2-CD1 3.47Å; W56-I63 HydrophobicContact CH2-CG1 3.8Å; W56-I63 HydrophobicContact CZ2-CD1 3.89Å; W56-I63 HydrophobicContact CZ2-CG1 4.2Å; W56-I63 HydrophobicContact CZ3-CD1 3.58Å; W56-I63 HydrophobicContact CZ3-CG1 3.37Å; I63-V75 VanDerWaalsContact O-CA 3.32Å; I63-V75 WeakPolarHBondContact O-CA 3.47Å; I63-W76 PolarHBondContact N-O 3.01Å; I63-W76 PolarHBondContact O-N 2.52Å; I63-L78 HydrophobicContact CD1-CD2 4.21Å
64L97.3Very high95.9Very high0 Ų031.6 Ų31.60%015%0.147CC..EExtended strand (participates in β ladder)trans-87.6132.6171.7179.7153.9000109.4M54 E55 A66 V73 W99 I106M54-L64 VanDerWaalsContact CA-O 3.22Å; M54-L64 WeakPolarHBondContact CA-O 3.28Å; E55-L64 PolarHBondContact N-O 2.7Å; E55-L64 PolarHBondContact O-N 2.93Å; L64-A66 HydrophobicContact CD2-CB 4.15Å; L64-V73 HydrophobicContact CD1-CG1 3.82Å; L64-V73 HydrophobicContact CD2-CG1 4.03Å; L64-V73 HydrophobicContact CG-CG1 3.54Å; L64-W99 HydrophobicContact CB-CZ2 3.97Å; L64-W99 VanDerWaalsContact CB-NE1 3.25Å; L64-I106 HydrophobicContact CD1-CB 4.42Å; L64-I106 HydrophobicContact CD1-CD1 3.88Å; L64-I106 HydrophobicContact CD1-CG1 3.97Å; L64-I106 HydrophobicContact CD1-CG2 3.61Å
65C97.5Very high95.9Very high0 Ų031.4 Ų31.40%015%0.146CC..EExtended strand (participates in β ladder)trans-126.7111.4172.1-72.90000109.2V51 Q74V51-C65 HydrophobicContact CG1-CB 4.05Å; V51-C65 HydrophobicContact CG2-CB 4.19Å; C65-Q74 PolarHBondContact N-O 3.21Å; C65-Q74 PolarHBondContact O-N 2.84Å
66A96.9Very high95.9Very high0 Ų030.1 Ų30.10%014%0.139CC..EExtended strand (participates in β ladder)trans-97.9137.6178.600000111.6S52 H53 L64 Y68 V73S52-A66 PolarHBondContact N-O 2.82Å; H53-A66 HydrophobicContact CB-CB 4.2Å; H53-A66 PolarHBondContact N-O 2.86Å; H53-A66 PolarHBondContact O-N 3.18Å; L64-A66 HydrophobicContact CD2-CB 4.15Å; A66-Y68 HydrophobicContact CB-CD1 4.04Å; A66-Y68 HydrophobicContact CB-CE1 3.46Å; A66-Y68 VanDerWaalsContact CB-CE1 3.46Å; A66-V73 HydrophobicContact CB-CG2 4.1Å
67M96.1Very high95.9Very high1 Ų129.6 Ų29.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-122.479.8180-63.3156.5-7600108.1C47 L48 D49 K69 R70 G71 L72 Q74C47-M67 HydrophobicContact CB-SD 4.07Å; L48-M67 HydrophobicContact CB-SD 4.18Å; D49-M67 HydrophobicContact CB-CB 4.43Å; D49-M67 HydrophobicContact CB-CG 4.26Å; D49-M67 HydrophobicContact CB-SD 4.06Å; D49-M67 PolarHBondContact N-SD 2.78Å; D49-M67 VanDerWaalsContact N-SD 3.42Å; M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.08Å; M67-R70 PolarHBondContact O-N 2.81Å; M67-G71 PolarHBondContact O-N 2.84Å; M67-L72 HydrophobicContact CB-CB 4.44Å; M67-L72 HydrophobicContact CE-CB 3.82Å; M67-L72 PolarHBondContact N-O 2.88Å; M67-L72 PolarHBondContact O-N 2.87Å; M67-Q74 HydrophobicContact CE-CB 4.07Å; M67-Q74 HydrophobicContact CE-CG 3.65Å
68Y94.5Very high95.7Very high53 Ų5331 Ų3121%0.20815%0.145CC..G310 helixtrans-58.9-35.9-170.9-62.6-35.8000113.8H53 A66 R70 G71 L94 S96 S97H53-Y68 HydrophobicContact CB-CE2 3.79Å; H53-Y68 VanDerWaalsContact CB-OH 3.27Å; H53-Y68 WeakPolarHBondContact CB-OH 3.26Å; A66-Y68 HydrophobicContact CB-CD1 4.04Å; A66-Y68 HydrophobicContact CB-CE1 3.46Å; A66-Y68 VanDerWaalsContact CB-CE1 3.46Å; Y68-R70 PolarHBondContact O-N 3.25Å; Y68-R70 VanDerWaalsContact O-N 3.08Å; Y68-G71 PolarHBondContact O-N 2.77Å; Y68-L94 VanDerWaalsContact CB-O 3.3Å; Y68-L94 WeakPolarHBondContact CB-O 3.25Å; Y68-L94 HydrophobicContact CD1-CB 4.16Å; Y68-L94 HydrophobicContact CD1-CD2 3.7Å; Y68-L94 HydrophobicContact CD1-CG 3.65Å; Y68-L94 WeakPolarHBondContact CD1-O 3.32Å; Y68-L94 HydrophobicContact CE1-CD2 3.93Å; Y68-L94 HydrophobicContact CE1-CG 3.91Å; Y68-S96 WeakPolarHBondContact OH-CA 3.43Å; Y68-S97 PolarHBondContact OH-N 2.99Å; Y68-S97 VanDerWaalsContact OH-N 3.13Å
69K91.8Very high95.5Very high178 Ų17834.6 Ų34.677%0.77416%0.155SC*.G310 helixtrans-59.7-20.9175.6-68.5-175.5179.2176.30114.2M67M67-K69 VanDerWaalsContact C-N 3.29Å; M67-K69 PolarHBondContact O-N 3.08Å
70R92.9Very high95.4Very high142 Ų14237.6 Ų37.654%0.53617%0.167SC..G310 helixtrans-107.3-6.4177-68-162.6176.3-115.71.5114D49 M67 Y68 L72D49-R70 HydrophobicContact CB-CG 4.25Å; D49-R70 WeakPolarHBondContact OD2-CD 3.28Å; D49-R70 WeakPolarHBondContact OD2-CG 3.24Å; D49-R70 IonicContact OD2-CZ 3.9Å; D49-R70 IonicContact OD2-NE 3.68Å; D49-R70 PolarHBondContact OD2-NE 2.78Å; D49-R70 IonicContact OD2-NH2 3.32Å; M67-R70 PolarHBondContact O-N 2.81Å; Y68-R70 PolarHBondContact O-N 3.25Å; Y68-R70 VanDerWaalsContact O-N 3.08Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 HydrophobicContact CB-CB 4.19Å; R70-L72 HydrophobicContact CB-CD1 3.82Å; R70-L72 HydrophobicContact CB-CG 3.83Å; R70-L72 PolarHBondContact O-N 3.32Å
71G94.5Very high94.9Very high2 Ų240.3 Ų40.32%0.02118%0.184CC..THydrogen-bonded Turntrans67.625.9-170.800000113.7M67 Y68 E89M67-G71 PolarHBondContact O-N 2.84Å; Y68-G71 PolarHBondContact O-N 2.77Å; G71-E89 PolarHBondContact O-N 2.8Å; G71-E89 VanDerWaalsContact O-N 3.13Å
72L96Very high94.7Very high12 Ų1245.6 Ų45.66%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-116.2145.7-171.1-69179.7000113L48 M67 R70 D88L48-L72 HydrophobicContact CD1-CD1 4.17Å; M67-L72 HydrophobicContact CB-CB 4.44Å; M67-L72 HydrophobicContact CE-CB 3.82Å; M67-L72 PolarHBondContact N-O 2.88Å; M67-L72 PolarHBondContact O-N 2.87Å; R70-L72 VanDerWaalsContact C-N 3.26Å; R70-L72 HydrophobicContact CB-CB 4.19Å; R70-L72 HydrophobicContact CB-CD1 3.82Å; R70-L72 HydrophobicContact CB-CG 3.83Å; R70-L72 PolarHBondContact O-N 3.32Å; L72-D88 HydrophobicContact CD2-CB 3.71Å; L72-D88 WeakPolarHBondContact CD2-OD2 3.43Å
73V97.4Very high94.5Very high0 Ų047.9 Ų47.90%022%0.221CC..EExtended strand (participates in β ladder)trans-125.7133.6166-177.20000109.3L64 A66 K86 I87 L94 S97L64-V73 HydrophobicContact CD1-CG1 3.82Å; L64-V73 HydrophobicContact CD2-CG1 4.03Å; L64-V73 HydrophobicContact CG-CG1 3.54Å; A66-V73 HydrophobicContact CB-CG2 4.1Å; V73-K86 WeakPolarHBondContact O-CA 3.34Å; V73-I87 HydrophobicContact CB-CB 4.28Å; V73-I87 PolarHBondContact N-O 3.23Å; V73-I87 PolarHBondContact O-N 2.79Å; V73-L94 HydrophobicContact CG2-CD2 3.53Å; V73-S97 VanDerWaalsContact CG2-OG 3.22Å; V73-S97 WeakPolarHBondContact CG2-OG 3.32Å
74Q97.4Very high94.3Very high14 Ų1453.3 Ų53.37%0.06525%0.246CC..EExtended strand (participates in β ladder)trans-114.7140.6170-76.2179.9-63.400110.3C47 C65 M67 C85C47-Q74 VanDerWaalsContact CA-OE1 3.23Å; C65-Q74 PolarHBondContact N-O 3.21Å; C65-Q74 PolarHBondContact O-N 2.84Å; M67-Q74 HydrophobicContact CE-CB 4.07Å; M67-Q74 HydrophobicContact CE-CG 3.65Å; Q74-C85 CarbonylContact C-O 3.51Å; Q74-C85 VanDerWaalsContact CA-O 3.3Å; Q74-C85 WeakPolarHBondContact CA-O 3.06Å
75V97.6Very high94.1Very high0 Ų054.6 Ų54.60%026%0.255CS..EExtended strand (participates in β ladder)trans-122.9134.2176.5-166.70000108.9F62 I63 W83 H84 C85 W99 I106 L121F62-V75 HydrophobicContact CB-CG1 3.9Å; F62-V75 HydrophobicContact CD1-CG1 4.22Å; F62-V75 HydrophobicContact CG-CG1 4.42Å; I63-V75 VanDerWaalsContact O-CA 3.32Å; I63-V75 WeakPolarHBondContact O-CA 3.47Å; V75-W83 HydrophobicContact CB-CH2 4.29Å; V75-W83 HydrophobicContact CB-CZ3 4.07Å; V75-W83 HydrophobicContact CG1-CH2 4.2Å; V75-W83 HydrophobicContact CG1-CZ3 3.9Å; V75-H84 VanDerWaalsContact O-CA 3.3Å; V75-H84 WeakPolarHBondContact O-CA 3.48Å; V75-C85 HydrophobicContact CB-CB 3.92Å; V75-C85 HydrophobicContact CG2-CB 4.09Å; V75-C85 PolarHBondContact N-O 2.95Å; V75-C85 PolarHBondContact O-N 2.79Å; V75-W99 HydrophobicContact CG1-CH2 3.68Å; V75-W99 HydrophobicContact CG1-CZ2 3.67Å; V75-I106 HydrophobicContact CG2-CD1 3.34Å; V75-L121 HydrophobicContact CG1-CD1 4.47Å
76W96.9Very high94.1Very high28 Ų2859.7 Ų59.711%0.10628%0.277CS..EExtended strand (participates in β ladder)trans-117.3141.9178.5-5599.1000109.7L31 Y45 F62 I63 H84L31-W76 HydrophobicContact CD2-CG 4.37Å; Y45-W76 HydrophobicContact CD1-CB 4.23Å; Y45-W76 AromaticContact CD1-CD2 3.69Å; Y45-W76 HydrophobicContact CD1-CD2 3.69Å; Y45-W76 AromaticContact CD1-CE3 3.43Å; Y45-W76 HydrophobicContact CD1-CE3 3.43Å; Y45-W76 VanDerWaalsContact CD1-CE3 3.43Å; Y45-W76 HydrophobicContact CD1-CG 4.04Å; Y45-W76 HydrophobicContact CD1-CZ3 4.02Å; Y45-W76 HydrophobicContact CD2-CB 4.2Å; Y45-W76 HydrophobicContact CD2-CG 4.2Å; Y45-W76 HydrophobicContact CE1-CB 4.18Å; Y45-W76 HydrophobicContact CE1-CD2 4.37Å; Y45-W76 AromaticContact CE1-CE3 3.98Å; Y45-W76 HydrophobicContact CE1-CE3 3.98Å; Y45-W76 HydrophobicContact CE1-CG 4.48Å; Y45-W76 HydrophobicContact CE2-CB 4.14Å; Y45-W76 HydrophobicContact CG-CB 4.23Å; Y45-W76 AromaticContact CG-CD2 3.8Å; Y45-W76 HydrophobicContact CG-CD2 3.8Å; Y45-W76 HydrophobicContact CG-CE3 4.03Å; Y45-W76 AromaticContact CG-CG 3.88Å; Y45-W76 HydrophobicContact CG-CG 3.88Å; F62-W76 CarbonylContact C-O 3.54Å; F62-W76 VanDerWaalsContact CA-O 3.25Å; F62-W76 WeakPolarHBondContact CA-O 3.27Å; I63-W76 PolarHBondContact N-O 3.01Å; I63-W76 PolarHBondContact O-N 2.52Å; W76-H84 HydrophobicContact CE3-CB 3.74Å; W76-H84 HydrophobicContact CH2-CB 4.41Å; W76-H84 HydrophobicContact CZ3-CB 3.65Å
77S95.4Very high94Very high3 Ų359.9 Ų59.92%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-98.6136.3170.9-178.90000110.2Y45 E79 Q80Y45-S77 PolarHBondContact OH-O 2.67Å; S77-E79 PolarHBondContact OG-N 3.04Å; S77-Q80 WeakPolarHBondContact CB-O 3.41Å; S77-Q80 PolarHBondContact OG-N 2.99Å
78L92.7Very high94Very high29 Ų2963.5 Ų63.515%0.15230%0.298CS..SBendtrans-76.1-37.5171.2-72.9-171.5000113Y22 V33 Q43 Y45 W56 L61 I63Y22-L78 HydrophobicContact CD2-CD1 3.86Å; Y22-L78 HydrophobicContact CE2-CD1 4.04Å; Y22-L78 HydrophobicContact CG-CD1 4.25Å; V33-L78 HydrophobicContact CB-CD2 4.33Å; V33-L78 HydrophobicContact CG1-CD2 3.97Å; V33-L78 HydrophobicContact CG2-CD2 4.11Å; Q43-L78 HydrophobicContact CG-CD2 4.26Å; Y45-L78 HydrophobicContact CE2-CD2 4.43Å; W56-L78 HydrophobicContact CH2-CD1 3.67Å; W56-L78 HydrophobicContact CH2-CG 4.38Å; W56-L78 HydrophobicContact CZ3-CD1 3.46Å; W56-L78 VanDerWaalsContact CZ3-CD1 3.46Å; W56-L78 HydrophobicContact CZ3-CG 4.05Å; L61-L78 PolarHBondContact O-N 3.13Å; I63-L78 HydrophobicContact CD1-CD2 4.21Å
79E91.5Very high93.9Very high136 Ų13661.5 Ų61.564%0.63629%0.29SS*.SBendtrans-74.8-33.6-179.1-71.1-173.6161.500112.1L61 S77 P81L61-E79 HydrophobicContact CD2-CG 3.97Å; L61-E79 WeakPolarHBondContact CD2-OE1 3.47Å; S77-E79 PolarHBondContact OG-N 3.04Å; E79-P81 WeakPolarHBondContact O-CD 3.41Å
80Q91.8Very high93.8Very high116 Ų11654.7 Ų54.754%0.54227%0.27SS..  trans-121.987.7-177.5-61.9-178.923.600110S77 D82 W83S77-Q80 WeakPolarHBondContact CB-O 3.41Å; S77-Q80 PolarHBondContact OG-N 2.99Å; Q80-D82 PolarHBondContact O-N 2.95Å; Q80-D82 VanDerWaalsContact O-N 3.15Å; Q80-W83 HydrophobicContact CB-CB 3.78Å; Q80-W83 WeakPolarHBondContact O-CB 3.15Å; Q80-W83 PolarHBondContact O-N 3.1Å
81P86.1Confident93.5Very high62 Ų6254.2 Ų54.240%0.40329%0.289SS..THydrogen-bonded Turntrans-59.1-28.9-175.7-26.635.3000114.7E79 W83E79-P81 WeakPolarHBondContact O-CD 3.41Å; P81-W83 VanDerWaalsContact C-N 3.32Å
82D89.9Confident93.3Very high154 Ų15457 Ų5782%0.82430%0.303SS*.THydrogen-bonded Turntrans-76.8-21.5177.7-63-37.2000112.6Q80 H84Q80-D82 PolarHBondContact O-N 2.95Å; Q80-D82 VanDerWaalsContact O-N 3.15Å; D82-H84 PolarHBondContact O-N 3.39Å; D82-H84 PolarHBondContact O-ND1 3.42Å
83W93.5Very high93.1Very high75 Ų7557 Ų5728%0.28431%0.305SS..  trans-77.6125.9178.6-17397.9000110.4F62 V75 Q80 P81 C85 L121F62-W83 HydrophobicContact CD1-CE3 4.09Å; F62-W83 HydrophobicContact CD1-CH2 4.07Å; F62-W83 AromaticContact CD1-CZ3 3.55Å; F62-W83 HydrophobicContact CD1-CZ3 3.55Å; F62-W83 HydrophobicContact CE1-CD2 4.37Å; F62-W83 AromaticContact CE1-CE3 3.82Å; F62-W83 HydrophobicContact CE1-CE3 3.82Å; F62-W83 AromaticContact CE1-CH2 3.88Å; F62-W83 HydrophobicContact CE1-CH2 3.88Å; F62-W83 HydrophobicContact CE1-CZ2 4.41Å; F62-W83 AromaticContact CE1-CZ3 3.57Å; F62-W83 HydrophobicContact CE1-CZ3 3.57Å; V75-W83 HydrophobicContact CB-CH2 4.29Å; V75-W83 HydrophobicContact CB-CZ3 4.07Å; V75-W83 HydrophobicContact CG1-CH2 4.2Å; V75-W83 HydrophobicContact CG1-CZ3 3.9Å; Q80-W83 HydrophobicContact CB-CB 3.78Å; Q80-W83 WeakPolarHBondContact O-CB 3.15Å; Q80-W83 PolarHBondContact O-N 3.1Å; P81-W83 VanDerWaalsContact C-N 3.32Å; W83-C85 HydrophobicContact CH2-CB 3.58Å; W83-C85 HydrophobicContact CZ2-CB 4Å; W83-C85 HydrophobicContact CZ3-CB 4.15Å; W83-L121 HydrophobicContact CH2-CD1 4.23Å; W83-L121 HydrophobicContact CH2-CD2 4.49Å
84H92.8Very high93Very high114 Ų11457.4 Ų57.453%0.52831%0.307SS..EExtended strand (participates in β ladder)trans-145.5144.8171.460.1-77.5000110.1V75 W76 D82V75-H84 VanDerWaalsContact O-CA 3.3Å; V75-H84 WeakPolarHBondContact O-CA 3.48Å; W76-H84 HydrophobicContact CE3-CB 3.74Å; W76-H84 HydrophobicContact CH2-CB 4.41Å; W76-H84 HydrophobicContact CZ3-CB 3.65Å; D82-H84 PolarHBondContact O-N 3.39Å; D82-H84 PolarHBondContact O-ND1 3.42Å
85C94Very high92.8Very high28 Ų2859.8 Ų59.819%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-112.2140173.2-176.90000109.6Q74 V75 W83 L121Q74-C85 CarbonylContact C-O 3.51Å; Q74-C85 VanDerWaalsContact CA-O 3.3Å; Q74-C85 WeakPolarHBondContact CA-O 3.06Å; V75-C85 HydrophobicContact CB-CB 3.92Å; V75-C85 HydrophobicContact CG2-CB 4.09Å; V75-C85 PolarHBondContact N-O 2.95Å; V75-C85 PolarHBondContact O-N 2.79Å; W83-C85 HydrophobicContact CH2-CB 3.58Å; W83-C85 HydrophobicContact CZ2-CB 4Å; W83-C85 HydrophobicContact CZ3-CB 4.15Å; C85-L121 HydrophobicContact CB-CD2 4.23Å
86K95.7Very high92.7Very high106 Ų10662 Ų6246%0.46134%0.338SS..EExtended strand (participates in β ladder)trans-121.1123.2169.1-177.8-167.1168.4-155.30108.1L48 V73 D88L48-K86 HydrophobicContact CD1-CD 4.43Å; V73-K86 WeakPolarHBondContact O-CA 3.34Å; K86-D88 WeakPolarHBondContact CE-OD2 3.46Å; K86-D88 IonicContact NZ-OD2 2.69Å; K86-D88 PolarHBondContact NZ-OD2 2.88Å
87I96.4Very high92.7Very high4 Ų460.8 Ų60.82%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-110.4127.8171.9-58.4168.2000107.7V73 I106 N108 W119V73-I87 HydrophobicContact CB-CB 4.28Å; V73-I87 PolarHBondContact N-O 3.23Å; V73-I87 PolarHBondContact O-N 2.79Å; I87-I106 HydrophobicContact CD1-CB 4.14Å; I87-I106 HydrophobicContact CD1-CD1 3.85Å; I87-I106 HydrophobicContact CD1-CG2 4.19Å; I87-N108 WeakPolarHBondContact CG2-ND2 3.42Å; I87-W119 HydrophobicContact CD1-CB 3.82Å; I87-W119 HydrophobicContact CD1-CD2 4.46Å; I87-W119 HydrophobicContact CD1-CG 3.92Å; I87-W119 HydrophobicContact CG1-CD2 4.41Å; I87-W119 HydrophobicContact CG1-CG 4.38Å; I87-W119 HydrophobicContact CG2-CD2 3.73Å; I87-W119 VanDerWaalsContact CG2-CE2 3.44Å; I87-W119 HydrophobicContact CG2-CE3 4.4Å; I87-W119 HydrophobicContact CG2-CG 3.94Å; I87-W119 HydrophobicContact CG2-CZ2 3.92Å
88D95.3Very high92.7Very high78 Ų7864.2 Ų64.242%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-122.6107.3-175.1-160.5-30.5000108.8L72 K86 G90L72-D88 HydrophobicContact CD2-CB 3.71Å; L72-D88 WeakPolarHBondContact CD2-OD2 3.43Å; K86-D88 WeakPolarHBondContact CE-OD2 3.46Å; K86-D88 IonicContact NZ-OD2 2.69Å; K86-D88 PolarHBondContact NZ-OD2 2.88Å; D88-G90 PolarHBondContact O-N 3.11Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.92Å
89E92.8Very high93Very high11 Ų1163.4 Ų63.45%0.05134%0.341CS..  trans-802.3175.6-73.1-62147.800112.2G71 L94 N108 R115 T117 W119G71-E89 PolarHBondContact O-N 2.8Å; G71-E89 VanDerWaalsContact O-N 3.13Å; E89-L94 HydrophobicContact CG-CD1 4.18Å; E89-N108 HydrophobicContact CG-CB 4.28Å; E89-R115 IonicContact OE2-NH2 2.94Å; E89-T117 WeakPolarHBondContact OE1-CB 3.16Å; E89-T117 PolarHBondContact OE1-OG1 3.23Å; E89-T117 WeakPolarHBondContact OE2-CG2 3.3Å; E89-W119 PolarHBondContact OE1-NE1 2.98Å
90G89.1Confident93.2Very high35 Ų3557 Ų5736%0.36131%0.312SS..G310 helixtrans65.2-15117900000112.8D88 I92 G93D88-G90 PolarHBondContact O-N 3.11Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.92Å; G90-I92 PolarHBondContact O-N 2.99Å; G90-G93 PolarHBondContact O-N 3.37Å
91S87.3Confident93.3Very high131 Ų13153.7 Ų53.792%0.91630%0.3SS*.G310 helixtrans-74.4-3.6-173.660.70000114.8G93S91-G93 PolarHBondContact O-N 2.86Å
92I88.9Confident93.7Very high62 Ų6254 Ų5432%0.31830%0.298SS..G310 helixtrans-69.4-26.7177.2-58.7173.5000110.2G90 T110 E111 L114G90-I92 PolarHBondContact O-N 2.99Å; I92-T110 HydrophobicContact CG2-CG2 4.11Å; I92-E111 WeakPolarHBondContact O-CB 3.48Å; I92-L114 HydrophobicContact CG2-CD1 4.09Å
93G92.3Very high94Very high10 Ų1046.6 Ų46.610%0.10326%0.259CS..  trans81.1169.7-175.700000112.9G90 S91 T110 E111G90-G93 PolarHBondContact O-N 3.37Å; S91-G93 PolarHBondContact O-N 2.86Å; G93-T110 WeakPolarHBondContact O-CA 3.47Å; G93-E111 PolarHBondContact O-N 2.88Å; G93-E111 VanDerWaalsContact O-N 3.16Å
94L95Very high94Very high9 Ų946.5 Ų46.55%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-140.4128.5-171.3-178.370.6000109.4Y68 V73 E89 S96 S97 N108 T109Y68-L94 VanDerWaalsContact CB-O 3.3Å; Y68-L94 WeakPolarHBondContact CB-O 3.25Å; Y68-L94 HydrophobicContact CD1-CB 4.16Å; Y68-L94 HydrophobicContact CD1-CD2 3.7Å; Y68-L94 HydrophobicContact CD1-CG 3.65Å; Y68-L94 WeakPolarHBondContact CD1-O 3.32Å; Y68-L94 HydrophobicContact CE1-CD2 3.93Å; Y68-L94 HydrophobicContact CE1-CG 3.91Å; V73-L94 HydrophobicContact CG2-CD2 3.53Å; E89-L94 HydrophobicContact CG-CD1 4.18Å; L94-S96 WeakPolarHBondContact CD1-O 3.49Å; L94-S97 WeakPolarHBondContact CD2-OG 3.26Å; L94-N108 HydrophobicContact CD1-CB 3.55Å; L94-T109 WeakPolarHBondContact CD1-O 3.39Å
95V94.9Very high94.3Very high64 Ų6442.2 Ų42.239%0.38824%0.238SC..EExtended strand (participates in β ladder)trans-108-29.5-179.774.20000112.9T109V95-T109 HydrophobicContact CG1-CG2 3.86Å; V95-T109 WeakPolarHBondContact CG1-O 3.3Å; V95-T109 PolarHBondContact N-O 2.86Å
96S95.1Very high94.4Very high47 Ų4740.9 Ų40.933%0.32923%0.229SC..EExtended strand (participates in β ladder)trans-150.5145.8-177.8-171.50000111.1Y68 L94 N108 T109Y68-S96 WeakPolarHBondContact OH-CA 3.43Å; L94-S96 WeakPolarHBondContact CD1-O 3.49Å; S96-N108 WeakPolarHBondContact O-CA 3.49Å; S96-T109 PolarHBondContact N-O 2.9Å; S96-T109 PolarHBondContact O-N 3.28Å
97S96.6Very high94.5Very high2 Ų235.9 Ų35.91%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-138.1140.3172.9-65.10000109.5Y68 V73 L94 L107 N108Y68-S97 PolarHBondContact OH-N 2.99Å; Y68-S97 VanDerWaalsContact OH-N 3.13Å; V73-S97 VanDerWaalsContact CG2-OG 3.22Å; V73-S97 WeakPolarHBondContact CG2-OG 3.32Å; L94-S97 WeakPolarHBondContact CD2-OG 3.26Å; S97-L107 CarbonylContact C-O 3.54Å; S97-L107 VanDerWaalsContact CA-O 3.29Å; S97-L107 WeakPolarHBondContact CA-O 3.23Å; S97-N108 WeakPolarHBondContact CB-OD1 3.41Å; S97-N108 PolarHBondContact OG-OD1 3.45Å
98R96.4Very high94.6Very high75 Ų7535.8 Ų35.828%0.28321%0.207SC..EExtended strand (participates in β ladder)trans-151.7155.317568-171.5-51.7175.43.4112.5E55 L107 I139E55-R98 VanDerWaalsContact OE2-CA 3.28Å; E55-R98 WeakPolarHBondContact OE2-CA 3.4Å; R98-L107 HydrophobicContact CG-CB 4.05Å; R98-L107 PolarHBondContact N-O 3.04Å; R98-L107 PolarHBondContact O-N 2.98Å; R98-I139 PolarHBondContact NH1-O 2.85Å
99W97.5Very high94.7Very high12 Ų1232.5 Ų32.55%0.04519%0.19CC..EExtended strand (participates in β ladder)trans-72.2147.2168.1-71.2102.5000111.8E55 W56 F62 L64 V75 G103 I106 L121E55-W99 PolarHBondContact O-NE1 2.88Å; E55-W99 VanDerWaalsContact O-NE1 3.13Å; E55-W99 PolarHBondContact OE2-N 2.84Å; W56-W99 VanDerWaalsContact O-CD1 3.3Å; F62-W99 HydrophobicContact CB-CH2 3.61Å; F62-W99 HydrophobicContact CB-CZ2 3.59Å; F62-W99 HydrophobicContact CG-CH2 4.18Å; L64-W99 HydrophobicContact CB-CZ2 3.97Å; L64-W99 VanDerWaalsContact CB-NE1 3.25Å; V75-W99 HydrophobicContact CG1-CH2 3.68Å; V75-W99 HydrophobicContact CG1-CZ2 3.67Å; W99-G103 VanDerWaalsContact CZ3-O 3.29Å; W99-G103 WeakPolarHBondContact CZ3-O 3.38Å; W99-I106 HydrophobicContact CD2-CG1 4.23Å; W99-I106 HydrophobicContact CE3-CD1 4.43Å; W99-I106 HydrophobicContact CE3-CG1 3.75Å; W99-I106 HydrophobicContact CH2-CD1 4Å; W99-I106 HydrophobicContact CH2-CG1 4.2Å; W99-I106 HydrophobicContact CZ2-CD1 4.36Å; W99-I106 HydrophobicContact CZ3-CD1 4.02Å; W99-I106 HydrophobicContact CZ3-CG1 3.73Å; W99-L121 HydrophobicContact CH2-CD1 3.43Å; W99-L121 VanDerWaalsContact CH2-CD1 3.43Å; W99-L121 HydrophobicContact CZ3-CD1 3.43Å; W99-L121 VanDerWaalsContact CZ3-CD1 3.43Å; W99-L121 HydrophobicContact CZ3-CG 4.49Å
100S96.3Very high94.8Very high3 Ų332 Ų322%0.02119%0.187CC..  trans-73.1158.615649.90000110.9D102 G103 H105S100-D102 WeakPolarHBondContact CB-OD1 3.39Å; S100-D102 PolarHBondContact O-N 2.75Å; S100-D102 VanDerWaalsContact O-N 3.14Å; S100-D102 PolarHBondContact OG-OD1 3.49Å; S100-G103 PolarHBondContact O-N 2.5Å; S100-H105 PolarHBondContact N-O 2.8Å; S100-H105 VanDerWaalsContact OG-C 3.32Å; S100-H105 VanDerWaalsContact OG-CA 3.24Å; S100-H105 WeakPolarHBondContact OG-CA 3.47Å; S100-H105 WeakPolarHBondContact OG-CB 3.26Å; S100-H105 PolarHBondContact OG-N 3Å; S100-H105 PolarHBondContact OG-O 3.27Å
101P94.4Very high95Very high45 Ų4534.5 Ų34.529%0.29219%0.19SC..THydrogen-bonded Turntrans-57.3-27.1179.4-28.637000115.1S58 G103 F141S58-P101 VanDerWaalsContact CB-O 3.24Å; S58-P101 WeakPolarHBondContact CB-O 3.3Å; S58-P101 PolarHBondContact OG-O 2.76Å; P101-G103 VanDerWaalsContact C-N 3.26Å; P101-G103 PolarHBondContact O-N 3.06Å; P101-F141 VanDerWaalsContact CD-CD1 3.43Å; P101-F141 VanDerWaalsContact CD-CE1 3.48Å; P101-F141 HydrophobicContact CG-CB 3.7Å; P101-F141 HydrophobicContact CG-CD1 3.55Å; P101-F141 HydrophobicContact CG-CD2 4.11Å; P101-F141 HydrophobicContact CG-CE1 4.15Å; P101-F141 HydrophobicContact CG-CG 3.52Å
102D94.1Very high95.2Very high68 Ų6836 Ų3636%0.36418%0.18SC..THydrogen-bonded Turntrans-74.3-11177.269.90.2000114.2S100 R104 H105S100-D102 WeakPolarHBondContact CB-OD1 3.39Å; S100-D102 PolarHBondContact O-N 2.75Å; S100-D102 VanDerWaalsContact O-N 3.14Å; S100-D102 PolarHBondContact OG-OD1 3.49Å; D102-R104 PolarHBondContact O-N 3.26Å; D102-R104 PolarHBondContact OD1-N 3.18Å; D102-H105 PolarHBondContact OD1-N 2.92Å; D102-H105 VanDerWaalsContact OD1-N 3.17Å; D102-H105 IonicContact OD1-ND1 3.73Å; D102-H105 IonicContact OD2-CE1 3.86Å; D102-H105 PolarHBondContact OD2-CE1 3.19Å; D102-H105 IonicContact OD2-CG 3.3Å; D102-H105 IonicContact OD2-ND1 3.09Å; D102-H105 PolarHBondContact OD2-ND1 2.79Å
103G95Very high95.4Very high0 Ų035.9 Ų35.90%018%0.178CC..SBendtrans64.718-176.400000114.3S58 W99 S100 P101S58-G103 PolarHBondContact OG-N 3.35Å; W99-G103 VanDerWaalsContact CZ3-O 3.29Å; W99-G103 WeakPolarHBondContact CZ3-O 3.38Å; S100-G103 PolarHBondContact O-N 2.5Å; P101-G103 VanDerWaalsContact C-N 3.26Å; P101-G103 PolarHBondContact O-N 3.06Å
104R95.3Very high95.4Very high72 Ų7240.7 Ų40.727%0.27220%0.201SC..SBendtrans-124.2-14.3-178.9-64-62.3177.1-83.5-3113.7D59 D102 L121D59-R104 IonicContact OD1-NH1 2.69Å; D59-R104 IonicContact OD2-CZ 2.76Å; D59-R104 IonicContact OD2-NH1 2.75Å; D59-R104 PolarHBondContact OD2-NH1 3.2Å; D59-R104 IonicContact OD2-NH2 3.18Å; D59-R104 PolarHBondContact OD2-NH2 2.75Å; D102-R104 PolarHBondContact O-N 3.26Å; D102-R104 PolarHBondContact OD1-N 3.18Å; R104-L121 WeakPolarHBondContact O-CB 3.16Å; R104-L121 WeakPolarHBondContact O-CG 3.27Å; R104-L121 PolarHBondContact O-N 2.74Å
105H97.3Very high95.4Very high24 Ų2443.7 Ų43.711%0.11121%0.212CC..EExtended strand (participates in β ladder)trans-111.2149.2169.6-54.883.4000112.3S100 D102 V118 W119 S120 W168S100-H105 PolarHBondContact N-O 2.8Å; S100-H105 VanDerWaalsContact OG-C 3.32Å; S100-H105 VanDerWaalsContact OG-CA 3.24Å; S100-H105 WeakPolarHBondContact OG-CA 3.47Å; S100-H105 WeakPolarHBondContact OG-CB 3.26Å; S100-H105 PolarHBondContact OG-N 3Å; S100-H105 PolarHBondContact OG-O 3.27Å; D102-H105 PolarHBondContact OD1-N 2.92Å; D102-H105 VanDerWaalsContact OD1-N 3.17Å; D102-H105 IonicContact OD1-ND1 3.73Å; D102-H105 IonicContact OD2-CE1 3.86Å; D102-H105 PolarHBondContact OD2-CE1 3.19Å; D102-H105 IonicContact OD2-CG 3.3Å; D102-H105 IonicContact OD2-ND1 3.09Å; D102-H105 PolarHBondContact OD2-ND1 2.79Å; H105-V118 HydrophobicContact CB-CG1 3.97Å; H105-W119 CarbonylContact C-O 3.54Å; H105-W119 WeakPolarHBondContact CA-O 3.37Å; H105-S120 VanDerWaalsContact CD2-CA 3.48Å; H105-S120 WeakPolarHBondContact CD2-CA 3.29Å; H105-S120 WeakPolarHBondContact NE2-CB 3.3Å; H105-S120 PolarHBondContact NE2-OG 3.31Å; H105-W168 HydrophobicContact CB-CZ2 3.95Å; H105-W168 AromaticContact CD2-NE1 3.5Å; H105-W168 AromaticContact CG-NE1 3.53Å; H105-W168 AromaticContact ND1-NE1 3.87Å; H105-W168 AromaticContact NE2-NE1 3.89Å
106I97.8Very high95.5Very high0 Ų040.6 Ų40.60%019%0.193CC..EExtended strand (participates in β ladder)trans-122.4126.8175-66.2171.3000108.3L64 V75 I87 W99 V118 W119 L121L64-I106 HydrophobicContact CD1-CB 4.42Å; L64-I106 HydrophobicContact CD1-CD1 3.88Å; L64-I106 HydrophobicContact CD1-CG1 3.97Å; L64-I106 HydrophobicContact CD1-CG2 3.61Å; V75-I106 HydrophobicContact CG2-CD1 3.34Å; I87-I106 HydrophobicContact CD1-CB 4.14Å; I87-I106 HydrophobicContact CD1-CD1 3.85Å; I87-I106 HydrophobicContact CD1-CG2 4.19Å; W99-I106 HydrophobicContact CD2-CG1 4.23Å; W99-I106 HydrophobicContact CE3-CD1 4.43Å; W99-I106 HydrophobicContact CE3-CG1 3.75Å; W99-I106 HydrophobicContact CH2-CD1 4Å; W99-I106 HydrophobicContact CH2-CG1 4.2Å; W99-I106 HydrophobicContact CZ2-CD1 4.36Å; W99-I106 HydrophobicContact CZ3-CD1 4.02Å; W99-I106 HydrophobicContact CZ3-CG1 3.73Å; I106-V118 WeakPolarHBondContact O-CA 3.38Å; I106-W119 PolarHBondContact N-O 2.86Å; I106-W119 PolarHBondContact O-N 2.83Å; I106-L121 HydrophobicContact CD1-CD1 4.13Å; I106-L121 HydrophobicContact CD1-CD2 4.05Å; I106-L121 HydrophobicContact CD1-CG 4.33Å
107L97.9Very high95.6Very high2 Ų238.4 Ų38.41%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-101.3122.5176.7-66.972.5000108.4S97 R98 I116 T117 V118 F141 M148 W168S97-L107 CarbonylContact C-O 3.54Å; S97-L107 VanDerWaalsContact CA-O 3.29Å; S97-L107 WeakPolarHBondContact CA-O 3.23Å; R98-L107 HydrophobicContact CG-CB 4.05Å; R98-L107 PolarHBondContact N-O 3.04Å; R98-L107 PolarHBondContact O-N 2.98Å; L107-I116 HydrophobicContact CB-CG2 4.06Å; L107-I116 HydrophobicContact CD2-CG2 4.41Å; L107-I116 HydrophobicContact CG-CG2 4.43Å; L107-T117 WeakPolarHBondContact CA-O 3.34Å; L107-V118 HydrophobicContact CD1-CG1 4.4Å; L107-V118 HydrophobicContact CG-CG1 4.38Å; L107-V118 HydrophobicContact CG-CG2 4.22Å; L107-F141 HydrophobicContact CD1-CZ 4.19Å; L107-F141 HydrophobicContact CD2-CZ 3.81Å; L107-M148 HydrophobicContact CD2-SD 3.48Å; L107-M148 WeakPolarHBondContact CD2-SD 3.46Å; L107-W168 HydrophobicContact CD1-CH2 3.54Å; L107-W168 HydrophobicContact CD1-CZ2 3.93Å; L107-W168 HydrophobicContact CD1-CZ3 4.32Å; L107-W168 HydrophobicContact CD2-CH2 3.75Å; L107-W168 HydrophobicContact CD2-CZ3 3.75Å; L107-W168 HydrophobicContact CG-CH2 3.93Å; L107-W168 HydrophobicContact CG-CZ3 4.21Å
108N97.5Very high95.7Very high1 Ų138.4 Ų38.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-115.1120.4177-77.6-17.1000109.3I87 E89 L94 S96 S97 I116 T117I87-N108 WeakPolarHBondContact CG2-ND2 3.42Å; E89-N108 HydrophobicContact CG-CB 4.28Å; L94-N108 HydrophobicContact CD1-CB 3.55Å; S96-N108 WeakPolarHBondContact O-CA 3.49Å; S97-N108 WeakPolarHBondContact CB-OD1 3.41Å; S97-N108 PolarHBondContact OG-OD1 3.45Å; N108-I116 CarbonylContact O-C 3.54Å; N108-I116 VanDerWaalsContact O-CA 3.26Å; N108-I116 WeakPolarHBondContact O-CA 3.27Å; N108-T117 WeakPolarHBondContact CB-OG1 3.16Å; N108-T117 PolarHBondContact N-O 3.22Å; N108-T117 PolarHBondContact O-N 3.42Å; N108-T117 PolarHBondContact O-OG1 3.18Å
109T96.8Very high95.7Very high9 Ų937.7 Ų37.76%0.05518%0.175CC..EExtended strand (participates in β ladder)trans-92.1119.2171.7-51.50000108.5L94 V95 S96 I116L94-T109 WeakPolarHBondContact CD1-O 3.39Å; V95-T109 HydrophobicContact CG1-CG2 3.86Å; V95-T109 WeakPolarHBondContact CG1-O 3.3Å; V95-T109 PolarHBondContact N-O 2.86Å; S96-T109 PolarHBondContact N-O 2.9Å; S96-T109 PolarHBondContact O-N 3.28Å; T109-I116 HydrophobicContact CG2-CG1 4.27Å
110T95.2Very high95.7Very high0 Ų037.7 Ų37.70%018%0.176CC..EExtended strand (participates in β ladder)trans-71.4165.3-179.564.60000111.8I92 G93 H113 R115I92-T110 HydrophobicContact CG2-CG2 4.11Å; G93-T110 WeakPolarHBondContact O-CA 3.47Å; T110-H113 PolarHBondContact O-N 2.76Å; T110-H113 VanDerWaalsContact O-N 3.16Å; T110-R115 HydrophobicContact CG2-CG 3.7Å; T110-R115 PolarHBondContact N-O 2.8Å; T110-R115 PolarHBondContact OG1-N 3.41Å; T110-R115 PolarHBondContact OG1-O 2.92Å
111E93.6Very high95.6Very high89 Ų8938.9 Ų38.942%0.41618%0.183SC..G310 helixtrans-54.4149.2174.6-156.3170176.100111.8I92 G93 H113 L114I92-E111 WeakPolarHBondContact O-CB 3.48Å; G93-E111 PolarHBondContact O-N 2.88Å; G93-E111 VanDerWaalsContact O-N 3.16Å; E111-H113 PolarHBondContact O-N 2.84Å; E111-L114 WeakPolarHBondContact O-CG 3.48Å; E111-L114 PolarHBondContact O-N 2.98Å
112F90.9Very high95.5Very high163 Ų16340.9 Ų40.972%0.71520%0.197SC*.G310 helixtrans54.916.8-173.7-53.1-71.9000115.7L114F112-L114 HydrophobicContact CB-CG 4.31Å; F112-L114 PolarHBondContact O-N 2.91Å
113H93.1Very high95.5Very high58 Ų5842.5 Ų42.527%0.26921%0.209SC..G310 helixtrans55.337.1-177.9-61.7-104.6000112.5T110 E111 R115 P132 A134T110-H113 PolarHBondContact O-N 2.76Å; T110-H113 VanDerWaalsContact O-N 3.16Å; E111-H113 PolarHBondContact O-N 2.84Å; H113-R115 VanDerWaalsContact C-N 3.34Å; H113-R115 PolarHBondContact O-N 2.8Å; H113-P132 HydrophobicContact CB-CG 4.2Å; H113-P132 WeakPolarHBondContact CB-O 3.33Å; H113-P132 WeakPolarHBondContact O-CD 3.18Å; H113-P132 WeakPolarHBondContact O-CG 3.22Å; H113-A134 HydrophobicContact CB-CB 4.32Å; H113-A134 WeakPolarHBondContact CD2-CB 3.44Å
114L92.4Very high95.5Very high112 Ų11251 Ų5159%0.58625%0.246SC*.  trans-64.2-40.2178.9-64.9172.7000112.1I92 E111 F112I92-L114 HydrophobicContact CG2-CD1 4.09Å; E111-L114 WeakPolarHBondContact O-CG 3.48Å; E111-L114 PolarHBondContact O-N 2.98Å; F112-L114 HydrophobicContact CB-CG 4.31Å; F112-L114 PolarHBondContact O-N 2.91Å
115R95.1Very high95.5Very high71 Ų7150 Ų5027%0.26825%0.253SS..EExtended strand (participates in β ladder)trans-159.8164.6178.665.7-172.5-170.8-175.91.5111.6E89 T110 H113 T117 I129E89-R115 IonicContact OE2-NH2 2.94Å; T110-R115 HydrophobicContact CG2-CG 3.7Å; T110-R115 PolarHBondContact N-O 2.8Å; T110-R115 PolarHBondContact OG1-N 3.41Å; T110-R115 PolarHBondContact OG1-O 2.92Å; H113-R115 VanDerWaalsContact C-N 3.34Å; H113-R115 PolarHBondContact O-N 2.8Å; R115-T117 HydrophobicContact CG-CG2 4.45Å; R115-I129 CarbonylContact C-O 3.59Å; R115-I129 WeakPolarHBondContact CA-O 3.15Å; R115-I129 WeakPolarHBondContact CB-O 3.16Å
116I97.3Very high95.4Very high0 Ų050.8 Ų50.80%026%0.26CS..EExtended strand (participates in β ladder)trans-108129.9161.8-61.7158.5000107.6L107 N108 T109 V118 I129 P132 I139 L150L107-I116 HydrophobicContact CB-CG2 4.06Å; L107-I116 HydrophobicContact CD2-CG2 4.41Å; L107-I116 HydrophobicContact CG-CG2 4.43Å; N108-I116 CarbonylContact O-C 3.54Å; N108-I116 VanDerWaalsContact O-CA 3.26Å; N108-I116 WeakPolarHBondContact O-CA 3.27Å; T109-I116 HydrophobicContact CG2-CG1 4.27Å; I116-V118 HydrophobicContact CG2-CG2 4.37Å; I116-I129 HydrophobicContact CB-CB 4.19Å; I116-I129 PolarHBondContact N-O 2.9Å; I116-I129 PolarHBondContact O-N 2.86Å; I116-P132 HydrophobicContact CD1-CB 3.72Å; I116-P132 HydrophobicContact CD1-CG 4.33Å; I116-P132 HydrophobicContact CG1-CB 4Å; I116-P132 HydrophobicContact CG1-CG 4.05Å; I116-I139 HydrophobicContact CD1-CD1 3.54Å; I116-I139 HydrophobicContact CD1-CG1 4.4Å; I116-L150 HydrophobicContact CD1-CD1 3.75Å; I116-L150 HydrophobicContact CD1-CD2 4.18Å
117T97.3Very high95.4Very high0 Ų052.7 Ų52.70%027%0.273CS..EExtended strand (participates in β ladder)trans-101.2133.6169490000108.8E89 L107 N108 R115 W119 S127 Y128E89-T117 WeakPolarHBondContact OE1-CB 3.16Å; E89-T117 PolarHBondContact OE1-OG1 3.23Å; E89-T117 WeakPolarHBondContact OE2-CG2 3.3Å; L107-T117 WeakPolarHBondContact CA-O 3.34Å; N108-T117 WeakPolarHBondContact CB-OG1 3.16Å; N108-T117 PolarHBondContact N-O 3.22Å; N108-T117 PolarHBondContact O-N 3.42Å; N108-T117 PolarHBondContact O-OG1 3.18Å; R115-T117 HydrophobicContact CG-CG2 4.45Å; T117-W119 PolarHBondContact OG1-NE1 3.28Å; T117-S127 WeakPolarHBondContact CA-O 3.24Å; T117-Y128 HydrophobicContact CG2-CD1 3.73Å; T117-Y128 HydrophobicContact CG2-CE1 3.65Å
118V98Very high95.3Very high2 Ų258.7 Ų58.71%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-113115.8177.6-170.80000108.3H105 I106 L107 I116 V126 S127 I129 W168H105-V118 HydrophobicContact CB-CG1 3.97Å; I106-V118 WeakPolarHBondContact O-CA 3.38Å; L107-V118 HydrophobicContact CD1-CG1 4.4Å; L107-V118 HydrophobicContact CG-CG1 4.38Å; L107-V118 HydrophobicContact CG-CG2 4.22Å; I116-V118 HydrophobicContact CG2-CG2 4.37Å; V118-V126 CarbonylContact O-C 3.3Å; V118-V126 VanDerWaalsContact O-CA 3.31Å; V118-V126 WeakPolarHBondContact O-CA 3.25Å; V118-S127 PolarHBondContact N-O 2.94Å; V118-S127 PolarHBondContact O-N 3.38Å; V118-I129 HydrophobicContact CG2-CD1 3.85Å; V118-I129 HydrophobicContact CG2-CG1 4.37Å; V118-W168 HydrophobicContact CB-CD2 4.11Å; V118-W168 HydrophobicContact CB-CG 4.25Å; V118-W168 HydrophobicContact CG1-CD2 3.46Å; V118-W168 VanDerWaalsContact CG1-CD2 3.46Å; V118-W168 HydrophobicContact CG1-CE3 4.09Å; V118-W168 HydrophobicContact CG1-CG 3.8Å; V118-W168 HydrophobicContact CG1-CH2 4.25Å; V118-W168 HydrophobicContact CG1-CZ2 3.65Å; V118-W168 HydrophobicContact CG1-CZ3 4.44Å; V118-W168 HydrophobicContact CG2-CD2 3.89Å; V118-W168 HydrophobicContact CG2-CE3 3.8Å; V118-W168 HydrophobicContact CG2-CG 4.29Å; V118-W168 HydrophobicContact CG2-CZ3 4.28Å
119W97.3Very high95.3Very high61 Ų6158.9 Ų58.923%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-104.6124.6-176.6-6885.4000110.5I87 E89 H105 I106 T117 V126I87-W119 HydrophobicContact CD1-CB 3.82Å; I87-W119 HydrophobicContact CD1-CD2 4.46Å; I87-W119 HydrophobicContact CD1-CG 3.92Å; I87-W119 HydrophobicContact CG1-CD2 4.41Å; I87-W119 HydrophobicContact CG1-CG 4.38Å; I87-W119 HydrophobicContact CG2-CD2 3.73Å; I87-W119 VanDerWaalsContact CG2-CE2 3.44Å; I87-W119 HydrophobicContact CG2-CE3 4.4Å; I87-W119 HydrophobicContact CG2-CG 3.94Å; I87-W119 HydrophobicContact CG2-CZ2 3.92Å; E89-W119 PolarHBondContact OE1-NE1 2.98Å; H105-W119 CarbonylContact C-O 3.54Å; H105-W119 WeakPolarHBondContact CA-O 3.37Å; I106-W119 PolarHBondContact N-O 2.86Å; I106-W119 PolarHBondContact O-N 2.83Å; T117-W119 PolarHBondContact OG1-NE1 3.28Å; W119-V126 HydrophobicContact CD2-CG1 4.31Å; W119-V126 HydrophobicContact CD2-CG2 3.77Å; W119-V126 HydrophobicContact CE3-CG2 3.32Å; W119-V126 HydrophobicContact CH2-CG2 3.6Å; W119-V126 HydrophobicContact CZ2-CG1 4.23Å; W119-V126 HydrophobicContact CZ2-CG2 4.02Å; W119-V126 HydrophobicContact CZ3-CG2 3.23Å
120S96.5Very high95.2Very high11 Ų1164.6 Ų64.68%0.07732%0.321CS..EExtended strand (participates in β ladder)trans-86.8122.2171.4-172.60000110.8H105 C122 T123 K124 A125H105-S120 VanDerWaalsContact CD2-CA 3.48Å; H105-S120 WeakPolarHBondContact CD2-CA 3.29Å; H105-S120 WeakPolarHBondContact NE2-CB 3.3Å; H105-S120 PolarHBondContact NE2-OG 3.31Å; S120-C122 PolarHBondContact O-N 2.83Å; S120-C122 PolarHBondContact OG-N 2.79Å; S120-T123 VanDerWaalsContact CB-OG1 3.24Å; S120-T123 WeakPolarHBondContact CB-OG1 3.4Å; S120-T123 PolarHBondContact OG-N 2.97Å; S120-T123 PolarHBondContact OG-OG1 2.97Å; S120-K124 WeakPolarHBondContact O-CA 3.37Å; S120-K124 PolarHBondContact O-N 2.85Å; S120-A125 PolarHBondContact N-O 3.3Å
121L94.5Very high95.2Very high29 Ų2969.7 Ų69.715%0.15234%0.341CS..THydrogen-bonded Turntrans-73.2-19.6174.7-62.6-176000112.8V75 W83 C85 W99 R104 I106V75-L121 HydrophobicContact CG1-CD1 4.47Å; W83-L121 HydrophobicContact CH2-CD1 4.23Å; W83-L121 HydrophobicContact CH2-CD2 4.49Å; C85-L121 HydrophobicContact CB-CD2 4.23Å; W99-L121 HydrophobicContact CH2-CD1 3.43Å; W99-L121 VanDerWaalsContact CH2-CD1 3.43Å; W99-L121 HydrophobicContact CZ3-CD1 3.43Å; W99-L121 VanDerWaalsContact CZ3-CD1 3.43Å; W99-L121 HydrophobicContact CZ3-CG 4.49Å; R104-L121 WeakPolarHBondContact O-CB 3.16Å; R104-L121 WeakPolarHBondContact O-CG 3.27Å; R104-L121 PolarHBondContact O-N 2.74Å; I106-L121 HydrophobicContact CD1-CD1 4.13Å; I106-L121 HydrophobicContact CD1-CD2 4.05Å; I106-L121 HydrophobicContact CD1-CG 4.33Å
122C93.1Very high95.4Very high87 Ų8765.9 Ų65.959%0.58832%0.324SS*.THydrogen-bonded Turntrans-83.3-53.7179.3-61.70000111.6S120S120-C122 PolarHBondContact O-N 2.83Å; S120-C122 PolarHBondContact OG-N 2.79Å
123T94.3Very high95.6Very high101 Ų10158.7 Ų58.762%0.6229%0.293SS*.THydrogen-bonded Turntrans-98.2-12.2-17262.50000113.5S120 A125S120-T123 VanDerWaalsContact CB-OG1 3.24Å; S120-T123 WeakPolarHBondContact CB-OG1 3.4Å; S120-T123 PolarHBondContact OG-N 2.97Å; S120-T123 PolarHBondContact OG-OG1 2.97Å; T123-A125 PolarHBondContact O-N 2.8Å; T123-A125 VanDerWaalsContact OG1-CB 3.28Å; T123-A125 WeakPolarHBondContact OG1-CB 3.47Å; T123-A125 PolarHBondContact OG1-N 2.74Å
124K93.7Very high95.7Very high179 Ų17959.1 Ų59.178%0.77831%0.306SS*.  trans61.214.4-169.5-51.1175.3-178.9176.80113.5S120S120-K124 WeakPolarHBondContact O-CA 3.37Å; S120-K124 PolarHBondContact O-N 2.85Å
125A95.6Very high95.7Very high51 Ų5155.3 Ų55.342%0.42129%0.289SS..  trans-71.4154.3174.200000111.1S120 T123S120-A125 PolarHBondContact N-O 3.3Å; T123-A125 PolarHBondContact O-N 2.8Å; T123-A125 VanDerWaalsContact OG1-CB 3.28Å; T123-A125 WeakPolarHBondContact OG1-CB 3.47Å; T123-A125 PolarHBondContact OG1-N 2.74Å
126V96.2Very high95.4Very high41 Ų4160.8 Ų60.825%0.24832%0.317CS..EExtended strand (participates in β ladder)trans-128.3123.9178.2-170.70000109.7V118 W119 Y128V118-V126 CarbonylContact O-C 3.3Å; V118-V126 VanDerWaalsContact O-CA 3.31Å; V118-V126 WeakPolarHBondContact O-CA 3.25Å; W119-V126 HydrophobicContact CD2-CG1 4.31Å; W119-V126 HydrophobicContact CD2-CG2 3.77Å; W119-V126 HydrophobicContact CE3-CG2 3.32Å; W119-V126 HydrophobicContact CH2-CG2 3.6Å; W119-V126 HydrophobicContact CZ2-CG1 4.23Å; W119-V126 HydrophobicContact CZ2-CG2 4.02Å; W119-V126 HydrophobicContact CZ3-CG2 3.23Å; V126-Y128 HydrophobicContact CB-CE2 4.27Å; V126-Y128 HydrophobicContact CG1-CD2 4.46Å; V126-Y128 HydrophobicContact CG1-CE1 4.22Å; V126-Y128 HydrophobicContact CG1-CE2 3.87Å
127S96.5Very high95.2Very high39 Ų3965.1 Ų65.127%0.27334%0.336SS..EExtended strand (participates in β ladder)trans-104.9146.3170.8-61.60000110.1T117 V118T117-S127 WeakPolarHBondContact CA-O 3.24Å; V118-S127 PolarHBondContact N-O 2.94Å; V118-S127 PolarHBondContact O-N 3.38Å
128Y96.3Very high95.2Very high129 Ų12965.5 Ų65.551%0.50634%0.34SS..EExtended strand (participates in β ladder)trans-119.2120.1-176.7-65.2-88.4000110.6T117 V126T117-Y128 HydrophobicContact CG2-CD1 3.73Å; T117-Y128 HydrophobicContact CG2-CE1 3.65Å; V126-Y128 HydrophobicContact CB-CE2 4.27Å; V126-Y128 HydrophobicContact CG1-CD2 4.46Å; V126-Y128 HydrophobicContact CG1-CE1 4.22Å; V126-Y128 HydrophobicContact CG1-CE2 3.87Å
129I97.1Very high95.1Very high5 Ų567 Ų673%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-108.4124.6175.7-56.9172.3000108.3R115 I116 V118 M148 L150 F163 W168R115-I129 CarbonylContact C-O 3.59Å; R115-I129 WeakPolarHBondContact CA-O 3.15Å; R115-I129 WeakPolarHBondContact CB-O 3.16Å; I116-I129 HydrophobicContact CB-CB 4.19Å; I116-I129 PolarHBondContact N-O 2.9Å; I116-I129 PolarHBondContact O-N 2.86Å; V118-I129 HydrophobicContact CG2-CD1 3.85Å; V118-I129 HydrophobicContact CG2-CG1 4.37Å; I129-M148 HydrophobicContact CD1-CE 3.7Å; I129-L150 HydrophobicContact CG2-CD2 3.4Å; I129-F163 HydrophobicContact CB-CZ 4.43Å; I129-F163 HydrophobicContact CD1-CD1 4.29Å; I129-F163 HydrophobicContact CD1-CD2 4.4Å; I129-F163 HydrophobicContact CD1-CE1 4.28Å; I129-F163 HydrophobicContact CD1-CE2 4.39Å; I129-F163 HydrophobicContact CD1-CG 4.36Å; I129-F163 HydrophobicContact CD1-CZ 4.34Å; I129-F163 HydrophobicContact CG1-CD1 4.49Å; I129-F163 HydrophobicContact CG1-CE1 4.09Å; I129-F163 HydrophobicContact CG1-CZ 4.22Å; I129-F163 HydrophobicContact CG2-CE1 4.19Å; I129-F163 HydrophobicContact CG2-CE2 3.83Å; I129-F163 HydrophobicContact CG2-CZ 3.48Å; I129-F163 VanDerWaalsContact CG2-CZ 3.48Å; I129-W168 HydrophobicContact CD1-CE3 4.12Å
130K95.3Very high95.2Very high128 Ų12866 Ų6656%0.55735%0.347SS*.EExtended strand (participates in β ladder)trans-99.5158-172.9-60.8-179.1-178.4178.10111.3P132K130-P132 VanDerWaalsContact C-CD 3.4Å
131Y95.9Very high95.2Very high107 Ų10766.6 Ų66.642%0.4235%0.348SS..  trans63.132.8171.5-43.8-80000116.7K133 E152 R153 R154Y131-K133 PolarHBondContact O-N 2.98Å; Y131-E152 WeakPolarHBondContact O-CA 2.95Å; Y131-E152 WeakPolarHBondContact O-CG 3.45Å; Y131-R153 PolarHBondContact O-N 3.2Å; Y131-R153 VanDerWaalsContact O-N 3.13Å; Y131-R154 HydrophobicContact CD1-CG 3.85Å; Y131-R154 HydrophobicContact CD2-CG 3.96Å; Y131-R154 HydrophobicContact CE1-CG 4.4Å; Y131-R154 HydrophobicContact CE2-CG 4.49Å; Y131-R154 VanDerWaalsContact CE2-CZ 3.47Å; Y131-R154 HydrophobicContact CG-CG 3.58Å
132P97.2Very high95.3Very high9 Ų965.4 Ų65.46%0.05834%0.342CS..BIsolated β-bridgetrans-61.3132.8176.730.9-35.3000109.8H113 I116 K130 L150H113-P132 HydrophobicContact CB-CG 4.2Å; H113-P132 WeakPolarHBondContact CB-O 3.33Å; H113-P132 WeakPolarHBondContact O-CD 3.18Å; H113-P132 WeakPolarHBondContact O-CG 3.22Å; I116-P132 HydrophobicContact CD1-CB 3.72Å; I116-P132 HydrophobicContact CD1-CG 4.33Å; I116-P132 HydrophobicContact CG1-CB 4Å; I116-P132 HydrophobicContact CG1-CG 4.05Å; K130-P132 VanDerWaalsContact C-CD 3.4Å; P132-L150 HydrophobicContact CB-CD1 3.98Å; P132-L150 HydrophobicContact CB-CD2 4.46Å
133K95.9Very high95.3Very high13 Ų1370.7 Ų70.76%0.05735%0.35CS..  trans-76.9136.6177.6-172.8177.2179.7178.40110.2Y131 C135 A151 R153 D158 D180 L181Y131-K133 PolarHBondContact O-N 2.98Å; K133-C135 HydrophobicContact CG-CB 4.43Å; K133-C135 PolarHBondContact O-N 2.84Å; K133-C135 VanDerWaalsContact O-N 3.15Å; K133-A151 HydrophobicContact CB-CB 4.09Å; K133-A151 WeakPolarHBondContact CB-O 3.33Å; K133-A151 PolarHBondContact N-O 3.25Å; K133-R153 HydrophobicContact CB-CB 4.19Å; K133-R153 HydrophobicContact CD-CB 4.3Å; K133-R153 HydrophobicContact CG-CB 4.08Å; K133-D158 VanDerWaalsContact NZ-CG 3.26Å; K133-D158 IonicContact NZ-OD1 2.67Å; K133-D158 PolarHBondContact NZ-OD1 2.89Å; K133-D158 VanDerWaalsContact NZ-OD1 3.16Å; K133-D158 IonicContact NZ-OD2 3.2Å; K133-D158 PolarHBondContact NZ-OD2 2.82Å; K133-D180 WeakPolarHBondContact CE-OD1 3.36Å; K133-D180 IonicContact NZ-OD1 2.83Å; K133-D180 PolarHBondContact NZ-OD1 3.43Å; K133-L181 HydrophobicContact CD-CB 4.34Å; K133-L181 WeakPolarHBondContact CE-O 3.48Å; K133-L181 PolarHBondContact NZ-O 2.83Å
134A93.9Very high95.4Very high66 Ų6670.9 Ų70.955%0.54535%0.347SS..  trans-77.293.1169.600000110.1H113H113-A134 HydrophobicContact CB-CB 4.32Å; H113-A134 WeakPolarHBondContact CD2-CB 3.44Å
135C92.9Very high95.4Very high33 Ų3363 Ų6322%0.22332%0.317CS..  trans-143.2168.317663.90000111.8K133 K137 G138 A182K133-C135 HydrophobicContact CG-CB 4.43Å; K133-C135 PolarHBondContact O-N 2.84Å; K133-C135 VanDerWaalsContact O-N 3.15Å; C135-K137 PolarHBondContact O-N 2.9Å; C135-G138 WeakPolarHBondContact SG-CA 3.44Å; C135-A182 WeakPolarHBondContact CB-O 3.38Å
136Q88.1Confident95.4Very high186 Ų18663.3 Ų63.387%0.86932%0.315SS*.THydrogen-bonded Turntrans-65.4-42-170.1-72.5-171.92.700113.2A182Q136-A182 PolarHBondContact N-O 3.32Å
137K94.3Very high95.5Very high90 Ų9064.5 Ų64.539%0.39132%0.316SS..BIsolated β-bridgetrans-12763.4177.9-75.3-171.3170.4-1770110.2C135 G183 L184 E185 W196C135-K137 PolarHBondContact O-N 2.9Å; K137-G183 CarbonylContact O-C 3.59Å; K137-G183 WeakPolarHBondContact O-CA 3.29Å; K137-L184 PolarHBondContact O-N 3.29Å; K137-E185 IonicContact NZ-OE2 3.83Å; K137-E185 PolarHBondContact NZ-OE2 2.85Å; K137-W196 HydrophobicContact CB-CH2 4.1Å; K137-W196 HydrophobicContact CB-CZ2 3.97Å; K137-W196 HydrophobicContact CD-CH2 3.71Å; K137-W196 HydrophobicContact CD-CZ2 3.8Å; K137-W196 HydrophobicContact CG-CZ2 4.35Å
138G96.2Very high95.6Very high9 Ų962.7 Ų62.79%0.09330%0.303CS..  trans-84-10.6-174.800000116.2C135 L150 A151C135-G138 WeakPolarHBondContact SG-CA 3.44Å; G138-L150 CarbonylContact O-C 3.56Å; G138-L150 WeakPolarHBondContact O-CA 3.4Å; G138-A151 PolarHBondContact O-N 2.81Å
139I97.1Very high95.7Very high32 Ų3256.5 Ų56.516%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-138.8128.3-177.2-59.6169000109.2R98 I116 M148 A149 L150R98-I139 PolarHBondContact NH1-O 2.85Å; I116-I139 HydrophobicContact CD1-CD1 3.54Å; I116-I139 HydrophobicContact CD1-CG1 4.4Å; I139-M148 HydrophobicContact CG2-CG 3.8Å; I139-M148 HydrophobicContact CG2-SD 3.62Å; I139-A149 WeakPolarHBondContact CA-O 3.22Å; I139-L150 HydrophobicContact CD1-CD1 4.13Å; I139-L150 HydrophobicContact CG1-CD1 3.55Å
140D97.9Very high95.7Very high41 Ų4156.3 Ų56.322%0.21928%0.278CS..EExtended strand (participates in β ladder)trans-142.8149.2172.7-163.928.9000112.4M148 A149 L184 E185 W186D140-M148 WeakPolarHBondContact O-CA 3.44Å; D140-A149 PolarHBondContact N-O 2.79Å; D140-A149 VanDerWaalsContact N-O 3.08Å; D140-A149 PolarHBondContact O-N 2.84Å; D140-L184 HydrophobicContact CB-CD1 3.72Å; D140-E185 WeakPolarHBondContact OD2-CA 3.31Å; D140-W186 PolarHBondContact OD2-N 2.88Å
141F97.5Very high95.9Very high23 Ų2350.2 Ų50.210%0.10125%0.251CS..EExtended strand (participates in β ladder)trans-104.7143.2179.9-71.1-80.5000110.4P101 L107 Y147 M148 W168 W186P101-F141 VanDerWaalsContact CD-CD1 3.43Å; P101-F141 VanDerWaalsContact CD-CE1 3.48Å; P101-F141 HydrophobicContact CG-CB 3.7Å; P101-F141 HydrophobicContact CG-CD1 3.55Å; P101-F141 HydrophobicContact CG-CD2 4.11Å; P101-F141 HydrophobicContact CG-CE1 4.15Å; P101-F141 HydrophobicContact CG-CG 3.52Å; L107-F141 HydrophobicContact CD1-CZ 4.19Å; L107-F141 HydrophobicContact CD2-CZ 3.81Å; F141-Y147 CarbonylContact C-O 3.54Å; F141-Y147 WeakPolarHBondContact CA-O 3.37Å; F141-M148 HydrophobicContact CD1-CB 3.77Å; F141-M148 HydrophobicContact CD1-CG 3.96Å; F141-M148 HydrophobicContact CE1-CB 3.65Å; F141-M148 HydrophobicContact CE1-CG 3.68Å; F141-M148 HydrophobicContact CE1-SD 4Å; F141-M148 HydrophobicContact CZ-CG 4.07Å; F141-M148 HydrophobicContact CZ-SD 3.95Å; F141-W168 AromaticContact CE1-CH2 3.8Å; F141-W168 HydrophobicContact CE1-CH2 3.8Å; F141-W168 HydrophobicContact CE1-CZ3 4.32Å; F141-W168 HydrophobicContact CZ-CH2 4.08Å; F141-W186 VanDerWaalsContact C-CD1 3.47Å
142S96.6Very high95.9Very high5 Ų545.2 Ų45.24%0.03523%0.231CC..  trans-62.6152.6168.861.70000110.1D144 G145 C146 Y147S142-D144 VanDerWaalsContact CB-OD1 3.22Å; S142-D144 WeakPolarHBondContact CB-OD1 3.22Å; S142-D144 PolarHBondContact O-N 2.8Å; S142-D144 PolarHBondContact OG-OD1 3.29Å; S142-G145 WeakPolarHBondContact O-CA 3.38Å; S142-G145 PolarHBondContact O-N 3.41Å; S142-C146 PolarHBondContact OG-N 3.41Å; S142-Y147 PolarHBondContact N-O 3.28Å; S142-Y147 PolarHBondContact OG-N 3.25Å; S142-Y147 PolarHBondContact OG-O 2.84Å
143R93.7Very high95.8Very high198 Ų19849 Ų4975%0.74725%0.245SC*.THydrogen-bonded Turntrans-59-33.3-174.5-178.165.7178.8104.9-3.5113.8G145 P188R143-G145 VanDerWaalsContact C-N 3.28Å; R143-P188 WeakPolarHBondContact CB-O 3.39Å; R143-P188 VanDerWaalsContact CG-O 3.32Å; R143-P188 WeakPolarHBondContact CG-O 3.44Å
144D94.6Very high95.7Very high104 Ų10452.2 Ų52.256%0.55626%0.256SS*.THydrogen-bonded Turntrans-79.4-9.9176.263.7-9.4000113.2S142 C146S142-D144 VanDerWaalsContact CB-OD1 3.22Å; S142-D144 WeakPolarHBondContact CB-OD1 3.22Å; S142-D144 PolarHBondContact O-N 2.8Å; S142-D144 PolarHBondContact OG-OD1 3.29Å; D144-C146 PolarHBondContact O-N 2.95Å; D144-C146 PolarHBondContact OD1-N 2.94Å; D144-C146 VanDerWaalsContact OD1-N 3.16Å; D144-C146 PolarHBondContact OD2-SG 3.09Å
145G95Very high95.6Very high14 Ų1456.3 Ų56.314%0.14427%0.269CS..SBendtrans75.36.2-179.400000114.8S142 R143 C165S142-G145 WeakPolarHBondContact O-CA 3.38Å; S142-G145 PolarHBondContact O-N 3.41Å; R143-G145 VanDerWaalsContact C-N 3.28Å; G145-C165 VanDerWaalsContact O-CB 3.26Å; G145-C165 WeakPolarHBondContact O-CB 3.25Å; G145-C165 PolarHBondContact O-SG 3.12Å; G145-C165 VanDerWaalsContact O-SG 3.41Å
146C96Very high95.5Very high57 Ų5760.6 Ų60.639%0.38530%0.298SS..SBendtrans-74.5-30.5-178.2-64.90000112.5S142 D144 C165S142-C146 PolarHBondContact OG-N 3.41Å; D144-C146 PolarHBondContact O-N 2.95Å; D144-C146 PolarHBondContact OD1-N 2.94Å; D144-C146 VanDerWaalsContact OD1-N 3.16Å; D144-C146 PolarHBondContact OD2-SG 3.09Å; C146-C165 PolarHBondContact O-N 2.98Å
147Y97.4Very high95.8Very high67 Ų6756.4 Ų56.426%0.26328%0.277SS..EExtended strand (participates in β ladder)trans-127.9145.6-172.3-53.7-68.9000112.5F141 S142 I162 F163 V164 L171 L209F141-Y147 CarbonylContact C-O 3.54Å; F141-Y147 WeakPolarHBondContact CA-O 3.37Å; S142-Y147 PolarHBondContact N-O 3.28Å; S142-Y147 PolarHBondContact OG-N 3.25Å; S142-Y147 PolarHBondContact OG-O 2.84Å; Y147-I162 HydrophobicContact CD1-CG2 4.41Å; Y147-F163 CarbonylContact C-O 3.6Å; Y147-F163 VanDerWaalsContact CA-O 3.28Å; Y147-F163 WeakPolarHBondContact CA-O 3.35Å; Y147-V164 HydrophobicContact CD1-CG2 4.32Å; Y147-V164 HydrophobicContact CE1-CG2 4.13Å; Y147-L171 HydrophobicContact CD1-CD2 3.86Å; Y147-L171 HydrophobicContact CE1-CD2 3.58Å; Y147-L209 HydrophobicContact CD1-CD1 4.32Å; Y147-L209 HydrophobicContact CD2-CD1 3.94Å; Y147-L209 HydrophobicContact CD2-CD2 4.19Å; Y147-L209 HydrophobicContact CE2-CD1 4.24Å; Y147-L209 HydrophobicContact CE2-CD2 3.69Å; Y147-L209 HydrophobicContact CG-CD1 3.97Å
148M97.9Very high95.9Very high0 Ų052.4 Ų52.40%026%0.26CS..EExtended strand (participates in β ladder)trans-119.8127169.5-174-169.465.400109.2L107 I129 I139 D140 F141 L150 I162 F163 W168L107-M148 HydrophobicContact CD2-SD 3.48Å; L107-M148 WeakPolarHBondContact CD2-SD 3.46Å; I129-M148 HydrophobicContact CD1-CE 3.7Å; I139-M148 HydrophobicContact CG2-CG 3.8Å; I139-M148 HydrophobicContact CG2-SD 3.62Å; D140-M148 WeakPolarHBondContact O-CA 3.44Å; F141-M148 HydrophobicContact CD1-CB 3.77Å; F141-M148 HydrophobicContact CD1-CG 3.96Å; F141-M148 HydrophobicContact CE1-CB 3.65Å; F141-M148 HydrophobicContact CE1-CG 3.68Å; F141-M148 HydrophobicContact CE1-SD 4Å; F141-M148 HydrophobicContact CZ-CG 4.07Å; F141-M148 HydrophobicContact CZ-SD 3.95Å; M148-L150 HydrophobicContact CE-CB 4.38Å; M148-I162 CarbonylContact O-C 3.6Å; M148-I162 VanDerWaalsContact O-CA 3.32Å; M148-I162 WeakPolarHBondContact O-CA 2.96Å; M148-F163 HydrophobicContact CE-CB 4.28Å; M148-F163 HydrophobicContact CE-CD2 3.6Å; M148-F163 HydrophobicContact CE-CE2 4.28Å; M148-F163 HydrophobicContact CE-CG 4.14Å; M148-F163 PolarHBondContact N-O 2.81Å; M148-F163 PolarHBondContact O-N 2.96Å; M148-W168 HydrophobicContact CB-CZ3 4.4Å; M148-W168 HydrophobicContact CE-CE3 4.42Å; M148-W168 HydrophobicContact CE-CZ3 3.95Å; M148-W168 HydrophobicContact SD-CH2 4.48Å; M148-W168 HydrophobicContact SD-CZ3 3.76Å
149A98.3Very high96Very high0 Ų053.9 Ų53.90%026%0.263CS..EExtended strand (participates in β ladder)trans-93.4135.8167.300000109.8I139 D140 L184 W186 L193I139-A149 WeakPolarHBondContact CA-O 3.22Å; D140-A149 PolarHBondContact N-O 2.79Å; D140-A149 VanDerWaalsContact N-O 3.08Å; D140-A149 PolarHBondContact O-N 2.84Å; A149-L184 HydrophobicContact CB-CD1 3.84Å; A149-L184 HydrophobicContact CB-CD2 4.2Å; A149-W186 HydrophobicContact CB-CZ2 4.02Å; A149-W186 VanDerWaalsContact CB-NE1 3.34Å; A149-L193 HydrophobicContact CB-CD1 3.9Å; A149-L193 HydrophobicContact CB-CD2 3.91Å
150L98.4Very high96.1Very high1 Ų152.3 Ų52.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-127.7128.8178.5172.666.7000110I116 I129 P132 G138 I139 M148 V160 S161 F163I116-L150 HydrophobicContact CD1-CD1 3.75Å; I116-L150 HydrophobicContact CD1-CD2 4.18Å; I129-L150 HydrophobicContact CG2-CD2 3.4Å; P132-L150 HydrophobicContact CB-CD1 3.98Å; P132-L150 HydrophobicContact CB-CD2 4.46Å; G138-L150 CarbonylContact O-C 3.56Å; G138-L150 WeakPolarHBondContact O-CA 3.4Å; I139-L150 HydrophobicContact CD1-CD1 4.13Å; I139-L150 HydrophobicContact CG1-CD1 3.55Å; M148-L150 HydrophobicContact CE-CB 4.38Å; L150-V160 WeakPolarHBondContact O-CA 3.25Å; L150-S161 PolarHBondContact N-O 3.21Å; L150-S161 PolarHBondContact O-N 2.83Å; L150-F163 HydrophobicContact CB-CE2 4.16Å; L150-F163 HydrophobicContact CD2-CE2 3.99Å
151A98.2Very high96.1Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-74.6127165.400000108.9K133 G138 L181 L184K133-A151 HydrophobicContact CB-CB 4.09Å; K133-A151 WeakPolarHBondContact CB-O 3.33Å; K133-A151 PolarHBondContact N-O 3.25Å; G138-A151 PolarHBondContact O-N 2.81Å; A151-L181 HydrophobicContact CB-CD1 4.24Å; A151-L181 HydrophobicContact CB-CD2 3.51Å; A151-L184 HydrophobicContact CB-CD2 3.98Å
152E96.8Very high96.1Very high1 Ų149.3 Ų49.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-129.2143.8-172.2-164.3-165.5104.200109.7Y131 R154 D158 Y159 S161 H173Y131-E152 WeakPolarHBondContact O-CA 2.95Å; Y131-E152 WeakPolarHBondContact O-CG 3.45Å; E152-R154 WeakPolarHBondContact OE1-CD 3.39Å; E152-R154 WeakPolarHBondContact OE1-CG 3.33Å; E152-R154 IonicContact OE1-CZ 3.06Å; E152-R154 IonicContact OE1-NE 2.58Å; E152-R154 PolarHBondContact OE1-NE 3.09Å; E152-R154 IonicContact OE1-NH2 2.99Å; E152-R154 PolarHBondContact OE1-NH2 2.84Å; E152-R154 IonicContact OE2-CZ 3.91Å; E152-R154 IonicContact OE2-NE 3.99Å; E152-R154 IonicContact OE2-NH2 3.85Å; E152-R154 PolarHBondContact OE2-NH2 2.85Å; E152-D158 WeakPolarHBondContact O-CA 3.32Å; E152-Y159 PolarHBondContact N-O 2.85Å; E152-Y159 PolarHBondContact O-N 2.9Å; E152-S161 PolarHBondContact OE2-OG 3.3Å; E152-H173 IonicContact OE1-CE1 3.01Å; E152-H173 PolarHBondContact OE1-CE1 2.91Å; E152-H173 IonicContact OE1-ND1 3.96Å; E152-H173 IonicContact OE2-CE1 3.1Å; E152-H173 IonicContact OE2-ND1 2.7Å
153R95.4Very high96.2Very high89 Ų8949.9 Ų49.934%0.33624%0.242SC..EExtended strand (participates in β ladder)trans-129.2118.6175.1176.8162.5-79.7177.4-11.4110.8Y131 K133 K157 D158 D180Y131-R153 PolarHBondContact O-N 3.2Å; Y131-R153 VanDerWaalsContact O-N 3.13Å; K133-R153 HydrophobicContact CB-CB 4.19Å; K133-R153 HydrophobicContact CD-CB 4.3Å; K133-R153 HydrophobicContact CG-CB 4.08Å; R153-K157 WeakPolarHBondContact CA-O 3.46Å; R153-D158 IonicContact CZ-OD1 3.16Å; R153-D158 IonicContact CZ-OD2 2.73Å; R153-D158 IonicContact NE-OD1 2.84Å; R153-D158 PolarHBondContact NE-OD1 3.11Å; R153-D158 IonicContact NH2-OD1 3.19Å; R153-D158 PolarHBondContact NH2-OD1 3.38Å; R153-D158 IonicContact NH2-OD2 3.82Å; R153-D158 PolarHBondContact NH2-OD2 3.38Å; R153-D180 IonicContact CZ-OD1 2.9Å; R153-D180 IonicContact NH1-OD1 3.8Å; R153-D180 PolarHBondContact NH1-OD1 3.09Å; R153-D180 IonicContact NH2-OD1 2.73Å; R153-D180 PolarHBondContact NH2-OD1 2.84Å
154R93.8Very high96.3Very high80 Ų8041.7 Ų41.730%0.30221%0.214SC..EExtended strand (participates in β ladder)trans-132.5137.9175.6-64.8-168.8-160.3177.612109.8Y131 E152 C156 K157 Y159Y131-R154 HydrophobicContact CD1-CG 3.85Å; Y131-R154 HydrophobicContact CD2-CG 3.96Å; Y131-R154 HydrophobicContact CE1-CG 4.4Å; Y131-R154 HydrophobicContact CE2-CG 4.49Å; Y131-R154 VanDerWaalsContact CE2-CZ 3.47Å; Y131-R154 HydrophobicContact CG-CG 3.58Å; E152-R154 WeakPolarHBondContact OE1-CD 3.39Å; E152-R154 WeakPolarHBondContact OE1-CG 3.33Å; E152-R154 IonicContact OE1-CZ 3.06Å; E152-R154 IonicContact OE1-NE 2.58Å; E152-R154 PolarHBondContact OE1-NE 3.09Å; E152-R154 IonicContact OE1-NH2 2.99Å; E152-R154 PolarHBondContact OE1-NH2 2.84Å; E152-R154 IonicContact OE2-CZ 3.91Å; E152-R154 IonicContact OE2-NE 3.99Å; E152-R154 IonicContact OE2-NH2 3.85Å; E152-R154 PolarHBondContact OE2-NH2 2.85Å; R154-C156 PolarHBondContact O-N 3.3Å; R154-C156 VanDerWaalsContact O-N 3.08Å; R154-K157 PolarHBondContact N-O 2.83Å; R154-K157 PolarHBondContact O-N 2.85Å; R154-Y159 HydrophobicContact CB-CD2 4.46Å; R154-Y159 HydrophobicContact CB-CE2 4.22Å
155D92.3Very high96.4Very high153 Ų15337 Ų3782%0.81819%0.189SC*.THydrogen-bonded Turntrans49.540.4176.2-53.6-41.1000113.2K157D155-K157 PolarHBondContact O-N 2.52Å
156C90.1Very high96.3Very high122 Ų12242.8 Ų42.882%0.82422%0.217SC*.THydrogen-bonded Turntrans61.217.9-176.7-57.90000115.5R154R154-C156 PolarHBondContact O-N 3.3Å; R154-C156 VanDerWaalsContact O-N 3.08Å
157K95.1Very high96.2Very high98 Ų9844.1 Ų44.143%0.42622%0.22SC..EExtended strand (participates in β ladder)trans-113.3148.8173-71.8179.7164-137.30111.5R153 R154 D155 Y159 E175R153-K157 WeakPolarHBondContact CA-O 3.46Å; R154-K157 PolarHBondContact N-O 2.83Å; R154-K157 PolarHBondContact O-N 2.85Å; D155-K157 PolarHBondContact O-N 2.52Å; K157-Y159 HydrophobicContact CB-CD2 4.42Å; K157-Y159 HydrophobicContact CB-CE2 3.59Å; K157-E175 IonicContact NZ-OE1 2.77Å; K157-E175 PolarHBondContact NZ-OE1 2.8Å; K157-E175 IonicContact NZ-OE2 3.35Å; K157-E175 PolarHBondContact NZ-OE2 2.93Å
158D96.8Very high96.1Very high6 Ų641.6 Ų41.63%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-96.5136.3178.5-70.7-24.3000111.8K133 E152 R153 T176 D180 L181K133-D158 VanDerWaalsContact NZ-CG 3.26Å; K133-D158 IonicContact NZ-OD1 2.67Å; K133-D158 PolarHBondContact NZ-OD1 2.89Å; K133-D158 VanDerWaalsContact NZ-OD1 3.16Å; K133-D158 IonicContact NZ-OD2 3.2Å; K133-D158 PolarHBondContact NZ-OD2 2.82Å; E152-D158 WeakPolarHBondContact O-CA 3.32Å; R153-D158 IonicContact CZ-OD1 3.16Å; R153-D158 IonicContact CZ-OD2 2.73Å; R153-D158 IonicContact NE-OD1 2.84Å; R153-D158 PolarHBondContact NE-OD1 3.11Å; R153-D158 IonicContact NH2-OD1 3.19Å; R153-D158 PolarHBondContact NH2-OD1 3.38Å; R153-D158 IonicContact NH2-OD2 3.82Å; R153-D158 PolarHBondContact NH2-OD2 3.38Å; D158-T176 WeakPolarHBondContact CB-OG1 3.48Å; D158-T176 PolarHBondContact O-N 2.94Å; D158-T176 PolarHBondContact O-OG1 3.05Å; D158-T176 VanDerWaalsContact O-OG1 3.14Å; D158-D180 WeakPolarHBondContact OD2-CA 3.5Å; D158-L181 HydrophobicContact CB-CB 3.99Å; D158-L181 HydrophobicContact CB-CD1 4.5Å; D158-L181 WeakPolarHBondContact OD2-CB 3.43Å; D158-L181 PolarHBondContact OD2-N 3.06Å
159Y97.7Very high96Very high40 Ų4045.7 Ų45.716%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-131.6159.1178.4-61.6-94000109.7E152 R154 K157 H173 F174 E175E152-Y159 PolarHBondContact N-O 2.85Å; E152-Y159 PolarHBondContact O-N 2.9Å; R154-Y159 HydrophobicContact CB-CD2 4.46Å; R154-Y159 HydrophobicContact CB-CE2 4.22Å; K157-Y159 HydrophobicContact CB-CD2 4.42Å; K157-Y159 HydrophobicContact CB-CE2 3.59Å; Y159-H173 VanDerWaalsContact CB-CE1 3.44Å; Y159-H173 WeakPolarHBondContact CB-CE1 3.3Å; Y159-H173 AromaticContact CD1-CE1 3.51Å; Y159-H173 AromaticContact CD1-NE2 3.4Å; Y159-H173 WeakPolarHBondContact CD1-NE2 3.42Å; Y159-H173 AromaticContact CE1-NE2 3.88Å; Y159-H173 AromaticContact CG-CE1 3.47Å; Y159-H173 VanDerWaalsContact CG-CE1 3.47Å; Y159-H173 AromaticContact CG-NE2 3.82Å; Y159-F174 CarbonylContact C-O 3.58Å; Y159-F174 VanDerWaalsContact CA-O 3.26Å; Y159-F174 WeakPolarHBondContact CA-O 3.39Å; Y159-F174 WeakPolarHBondContact CB-O 3.08Å; Y159-E175 VanDerWaalsContact CD1-CA 3.5Å; Y159-E175 HydrophobicContact CD1-CB 3.9Å; Y159-E175 HydrophobicContact CD1-CG 4.49Å; Y159-E175 HydrophobicContact CE1-CB 3.66Å; Y159-E175 HydrophobicContact CE1-CG 4.08Å
160V98.3Very high96Very high0 Ų049.8 Ų49.80%025%0.25CS..EExtended strand (participates in β ladder)trans-114.8128.4164.8169.30000108.4L150 I162 H173 F174 T176 L181 L184 L193 V195L150-V160 WeakPolarHBondContact O-CA 3.25Å; V160-I162 HydrophobicContact CG1-CG1 4.34Å; V160-H173 WeakPolarHBondContact O-CA 3.37Å; V160-F174 HydrophobicContact CB-CD2 4.35Å; V160-F174 HydrophobicContact CB-CE1 4.12Å; V160-F174 HydrophobicContact CB-CE2 3.74Å; V160-F174 HydrophobicContact CB-CZ 3.62Å; V160-F174 HydrophobicContact CG1-CE1 3.92Å; V160-F174 HydrophobicContact CG1-CE2 4.2Å; V160-F174 HydrophobicContact CG1-CZ 3.55Å; V160-F174 HydrophobicContact CG2-CE2 4.38Å; V160-F174 PolarHBondContact N-O 2.83Å; V160-F174 PolarHBondContact O-N 3.4Å; V160-F174 VanDerWaalsContact O-N 3.07Å; V160-T176 HydrophobicContact CB-CG2 4.25Å; V160-T176 HydrophobicContact CG2-CG2 3.53Å; V160-L181 HydrophobicContact CG2-CD1 3.89Å; V160-L184 HydrophobicContact CG2-CD2 4.27Å; V160-L193 HydrophobicContact CG1-CD2 3.69Å; V160-V195 HydrophobicContact CG2-CG2 4.1Å
161S98.1Very high95.9Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-112.9128.4176.2-68.80000109.1L150 E152 R172 H173L150-S161 PolarHBondContact N-O 3.21Å; L150-S161 PolarHBondContact O-N 2.83Å; E152-S161 PolarHBondContact OE2-OG 3.3Å; S161-R172 CarbonylContact C-O 3.41Å; S161-R172 WeakPolarHBondContact CA-O 3.47Å; S161-H173 PolarHBondContact OG-ND1 2.86Å
162I98.2Very high95.9Very high1 Ų157.3 Ų57.31%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-109.2125.8177.5-57177.3000108Y147 M148 V160 L171 R172 F174 W186 L209Y147-I162 HydrophobicContact CD1-CG2 4.41Å; M148-I162 CarbonylContact O-C 3.6Å; M148-I162 VanDerWaalsContact O-CA 3.32Å; M148-I162 WeakPolarHBondContact O-CA 2.96Å; V160-I162 HydrophobicContact CG1-CG1 4.34Å; I162-L171 HydrophobicContact CG2-CB 4.43Å; I162-L171 HydrophobicContact CG2-CD2 4.2Å; I162-L171 WeakPolarHBondContact O-CA 3.4Å; I162-L171 WeakPolarHBondContact O-CB 3.44Å; I162-L171 PolarHBondContact O-N 2.85Å; I162-R172 HydrophobicContact CB-CB 4.16Å; I162-R172 HydrophobicContact CD1-CB 4.3Å; I162-R172 HydrophobicContact CG1-CB 4.4Å; I162-R172 PolarHBondContact N-O 2.82Å; I162-R172 PolarHBondContact O-N 2.99Å; I162-R172 VanDerWaalsContact O-N 3.15Å; I162-F174 HydrophobicContact CD1-CE1 4.02Å; I162-F174 HydrophobicContact CG1-CE1 4.39Å; I162-W186 HydrophobicContact CD1-CH2 4.08Å; I162-W186 HydrophobicContact CD1-CZ2 4.2Å; I162-W186 HydrophobicContact CG1-CZ2 4.48Å; I162-W186 HydrophobicContact CG2-CZ2 4.43Å; I162-L209 HydrophobicContact CD1-CD1 4.29Å; I162-L209 WeakPolarHBondContact CD1-O 3.49Å; I162-L209 HydrophobicContact CG2-CD1 4.09Å
163F97.9Very high95.9Very high16 Ų1661 Ų617%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-112.5146179.1-64.1-92000110.8I129 Y147 M148 L150 H169 L170I129-F163 HydrophobicContact CB-CZ 4.43Å; I129-F163 HydrophobicContact CD1-CD1 4.29Å; I129-F163 HydrophobicContact CD1-CD2 4.4Å; I129-F163 HydrophobicContact CD1-CE1 4.28Å; I129-F163 HydrophobicContact CD1-CE2 4.39Å; I129-F163 HydrophobicContact CD1-CG 4.36Å; I129-F163 HydrophobicContact CD1-CZ 4.34Å; I129-F163 HydrophobicContact CG1-CD1 4.49Å; I129-F163 HydrophobicContact CG1-CE1 4.09Å; I129-F163 HydrophobicContact CG1-CZ 4.22Å; I129-F163 HydrophobicContact CG2-CE1 4.19Å; I129-F163 HydrophobicContact CG2-CE2 3.83Å; I129-F163 HydrophobicContact CG2-CZ 3.48Å; I129-F163 VanDerWaalsContact CG2-CZ 3.48Å; Y147-F163 CarbonylContact C-O 3.6Å; Y147-F163 VanDerWaalsContact CA-O 3.28Å; Y147-F163 WeakPolarHBondContact CA-O 3.35Å; M148-F163 HydrophobicContact CE-CB 4.28Å; M148-F163 HydrophobicContact CE-CD2 3.6Å; M148-F163 HydrophobicContact CE-CE2 4.28Å; M148-F163 HydrophobicContact CE-CG 4.14Å; M148-F163 PolarHBondContact N-O 2.81Å; M148-F163 PolarHBondContact O-N 2.96Å; L150-F163 HydrophobicContact CB-CE2 4.16Å; L150-F163 HydrophobicContact CD2-CE2 3.99Å; F163-H169 VanDerWaalsContact CA-O 3.31Å; F163-H169 WeakPolarHBondContact CA-O 3.47Å; F163-L170 HydrophobicContact CD1-CB 4.28Å; F163-L170 HydrophobicContact CD1-CD1 4.29Å; F163-L170 HydrophobicContact CE1-CB 3.97Å; F163-L170 HydrophobicContact CE1-CD1 3.78Å; F163-L170 HydrophobicContact CE2-CD1 4.18Å; F163-L170 HydrophobicContact CZ-CD1 3.71Å
164V97Very high96Very high27 Ų2758 Ų5816%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-81.3129.3165.7-177.50000108.2Y147 D166 W168 H169 L171Y147-V164 HydrophobicContact CD1-CG2 4.32Å; Y147-V164 HydrophobicContact CE1-CG2 4.13Å; V164-D166 VanDerWaalsContact C-N 3.34Å; V164-D166 HydrophobicContact CG1-CB 4.25Å; V164-D166 PolarHBondContact O-N 2.98Å; V164-W168 WeakPolarHBondContact O-CA 3.37Å; V164-W168 PolarHBondContact O-N 3.19Å; V164-H169 WeakPolarHBondContact CG2-CE1 3.43Å; V164-H169 WeakPolarHBondContact CG2-NE2 3.33Å; V164-H169 PolarHBondContact N-O 3.2Å; V164-L171 HydrophobicContact CG2-CB 4.06Å; V164-L171 HydrophobicContact CG2-CD1 4.18Å; V164-L171 HydrophobicContact CG2-CD2 4.41Å; V164-L171 HydrophobicContact CG2-CG 4.44Å
165C96Very high96.2Very high6 Ų659 Ų594%0.04130%0.297CS..THydrogen-bonded Turntrans-79-14.3-171.9-62.10000114.4G145 C146 W168G145-C165 VanDerWaalsContact O-CB 3.26Å; G145-C165 WeakPolarHBondContact O-CB 3.25Å; G145-C165 PolarHBondContact O-SG 3.12Å; G145-C165 VanDerWaalsContact O-SG 3.41Å; C146-C165 PolarHBondContact O-N 2.98Å; C165-W168 HydrophobicContact CB-CH2 4.46Å; C165-W168 HydrophobicContact CB-CZ2 4.36Å; C165-W168 PolarHBondContact O-NE1 3.42Å
166D93.4Very high96.3Very high135 Ų13552 Ų5272%0.72226%0.259SS*.THydrogen-bonded Turntrans-66.2-51.1-179.2-174.454.7000111.7V164V164-D166 VanDerWaalsContact C-N 3.34Å; V164-D166 HydrophobicContact CG1-CB 4.25Å; V164-D166 PolarHBondContact O-N 2.98Å
167D93.2Very high96.5Very high85 Ų8551.6 Ų51.646%0.45525%0.246SC..THydrogen-bonded Turntrans-122.30.5-17765.5-11.8000113.2H169D167-H169 VanDerWaalsContact C-N 3.26Å; D167-H169 PolarHBondContact O-N 3.24Å; D167-H169 IonicContact OD1-CE1 2.74Å; D167-H169 IonicContact OD1-CG 2.69Å; D167-H169 PolarHBondContact OD1-N 2.98Å; D167-H169 IonicContact OD1-ND1 2.74Å; D167-H169 PolarHBondContact OD1-ND1 2.87Å; D167-H169 IonicContact OD2-CE1 2.86Å; D167-H169 IonicContact OD2-CG 3.81Å; D167-H169 IonicContact OD2-ND1 3.69Å; D167-H169 PolarHBondContact OD2-ND1 3.2Å
168W96Very high96.5Very high14 Ų1447.6 Ų47.65%0.05323%0.229CC..  trans6326.4178-58.685.1000114.3H105 L107 V118 I129 F141 M148 V164 C165H105-W168 HydrophobicContact CB-CZ2 3.95Å; H105-W168 AromaticContact CD2-NE1 3.5Å; H105-W168 AromaticContact CG-NE1 3.53Å; H105-W168 AromaticContact ND1-NE1 3.87Å; H105-W168 AromaticContact NE2-NE1 3.89Å; L107-W168 HydrophobicContact CD1-CH2 3.54Å; L107-W168 HydrophobicContact CD1-CZ2 3.93Å; L107-W168 HydrophobicContact CD1-CZ3 4.32Å; L107-W168 HydrophobicContact CD2-CH2 3.75Å; L107-W168 HydrophobicContact CD2-CZ3 3.75Å; L107-W168 HydrophobicContact CG-CH2 3.93Å; L107-W168 HydrophobicContact CG-CZ3 4.21Å; V118-W168 HydrophobicContact CB-CD2 4.11Å; V118-W168 HydrophobicContact CB-CG 4.25Å; V118-W168 HydrophobicContact CG1-CD2 3.46Å; V118-W168 VanDerWaalsContact CG1-CD2 3.46Å; V118-W168 HydrophobicContact CG1-CE3 4.09Å; V118-W168 HydrophobicContact CG1-CG 3.8Å; V118-W168 HydrophobicContact CG1-CH2 4.25Å; V118-W168 HydrophobicContact CG1-CZ2 3.65Å; V118-W168 HydrophobicContact CG1-CZ3 4.44Å; V118-W168 HydrophobicContact CG2-CD2 3.89Å; V118-W168 HydrophobicContact CG2-CE3 3.8Å; V118-W168 HydrophobicContact CG2-CG 4.29Å; V118-W168 HydrophobicContact CG2-CZ3 4.28Å; I129-W168 HydrophobicContact CD1-CE3 4.12Å; F141-W168 AromaticContact CE1-CH2 3.8Å; F141-W168 HydrophobicContact CE1-CH2 3.8Å; F141-W168 HydrophobicContact CE1-CZ3 4.32Å; F141-W168 HydrophobicContact CZ-CH2 4.08Å; M148-W168 HydrophobicContact CB-CZ3 4.4Å; M148-W168 HydrophobicContact CE-CE3 4.42Å; M148-W168 HydrophobicContact CE-CZ3 3.95Å; M148-W168 HydrophobicContact SD-CH2 4.48Å; M148-W168 HydrophobicContact SD-CZ3 3.76Å; V164-W168 WeakPolarHBondContact O-CA 3.37Å; V164-W168 PolarHBondContact O-N 3.19Å; C165-W168 HydrophobicContact CB-CH2 4.46Å; C165-W168 HydrophobicContact CB-CZ2 4.36Å; C165-W168 PolarHBondContact O-NE1 3.42Å
169H95.8Very high96.3Very high85 Ų8553.7 Ų53.739%0.39426%0.257SS..  trans-77.7151.2172.978.8-95.7000112.1F163 V164 D167 L171F163-H169 VanDerWaalsContact CA-O 3.31Å; F163-H169 WeakPolarHBondContact CA-O 3.47Å; V164-H169 WeakPolarHBondContact CG2-CE1 3.43Å; V164-H169 WeakPolarHBondContact CG2-NE2 3.33Å; V164-H169 PolarHBondContact N-O 3.2Å; D167-H169 VanDerWaalsContact C-N 3.26Å; D167-H169 PolarHBondContact O-N 3.24Å; D167-H169 IonicContact OD1-CE1 2.74Å; D167-H169 IonicContact OD1-CG 2.69Å; D167-H169 PolarHBondContact OD1-N 2.98Å; D167-H169 IonicContact OD1-ND1 2.74Å; D167-H169 PolarHBondContact OD1-ND1 2.87Å; D167-H169 IonicContact OD2-CE1 2.86Å; D167-H169 IonicContact OD2-CG 3.81Å; D167-H169 IonicContact OD2-ND1 3.69Å; D167-H169 PolarHBondContact OD2-ND1 3.2Å; H169-L171 PolarHBondContact O-N 3.33Å
170L97.6Very high96.2Very high86 Ų8654.6 Ų54.645%0.4527%0.265SS..EExtended strand (participates in β ladder)trans-74115.2177.3-178.669.3000110.1F163 R172 H173F163-L170 HydrophobicContact CD1-CB 4.28Å; F163-L170 HydrophobicContact CD1-CD1 4.29Å; F163-L170 HydrophobicContact CE1-CB 3.97Å; F163-L170 HydrophobicContact CE1-CD1 3.78Å; F163-L170 HydrophobicContact CE2-CD1 4.18Å; F163-L170 HydrophobicContact CZ-CD1 3.71Å; L170-R172 VanDerWaalsContact CD1-O 3.28Å; L170-R172 WeakPolarHBondContact CD1-O 3.47Å; L170-H173 HydrophobicContact CD1-CB 4.37Å; L170-H173 HydrophobicContact CD2-CB 4.13Å
171L97.3Very high96.1Very high47 Ų4754.7 Ų54.725%0.24627%0.265CS..EExtended strand (participates in β ladder)trans-85.3-48.9176.5-174.668.5000111.7Y147 I162 V164 H169Y147-L171 HydrophobicContact CD1-CD2 3.86Å; Y147-L171 HydrophobicContact CE1-CD2 3.58Å; I162-L171 HydrophobicContact CG2-CB 4.43Å; I162-L171 HydrophobicContact CG2-CD2 4.2Å; I162-L171 WeakPolarHBondContact O-CA 3.4Å; I162-L171 WeakPolarHBondContact O-CB 3.44Å; I162-L171 PolarHBondContact O-N 2.85Å; V164-L171 HydrophobicContact CG2-CB 4.06Å; V164-L171 HydrophobicContact CG2-CD1 4.18Å; V164-L171 HydrophobicContact CG2-CD2 4.41Å; V164-L171 HydrophobicContact CG2-CG 4.44Å; H169-L171 PolarHBondContact O-N 3.33Å
172R97.3Very high96Very high113 Ų11355.9 Ų55.943%0.42628%0.275SS..EExtended strand (participates in β ladder)trans-141.4151.2-178.4-66.1-63.3179.5-94.80.2111S161 I162 L170 F174S161-R172 CarbonylContact C-O 3.41Å; S161-R172 WeakPolarHBondContact CA-O 3.47Å; I162-R172 HydrophobicContact CB-CB 4.16Å; I162-R172 HydrophobicContact CD1-CB 4.3Å; I162-R172 HydrophobicContact CG1-CB 4.4Å; I162-R172 PolarHBondContact N-O 2.82Å; I162-R172 PolarHBondContact O-N 2.99Å; I162-R172 VanDerWaalsContact O-N 3.15Å; L170-R172 VanDerWaalsContact CD1-O 3.28Å; L170-R172 WeakPolarHBondContact CD1-O 3.47Å; R172-F174 HydrophobicContact CB-CD1 4.43Å
173H97.4Very high96Very high77 Ų7755.8 Ų55.836%0.35628%0.275SS..EExtended strand (participates in β ladder)trans-148.5123174.417575.2000108E152 Y159 V160 S161 L170E152-H173 IonicContact OE1-CE1 3.01Å; E152-H173 PolarHBondContact OE1-CE1 2.91Å; E152-H173 IonicContact OE1-ND1 3.96Å; E152-H173 IonicContact OE2-CE1 3.1Å; E152-H173 IonicContact OE2-ND1 2.7Å; Y159-H173 VanDerWaalsContact CB-CE1 3.44Å; Y159-H173 WeakPolarHBondContact CB-CE1 3.3Å; Y159-H173 AromaticContact CD1-CE1 3.51Å; Y159-H173 AromaticContact CD1-NE2 3.4Å; Y159-H173 WeakPolarHBondContact CD1-NE2 3.42Å; Y159-H173 AromaticContact CE1-NE2 3.88Å; Y159-H173 AromaticContact CG-CE1 3.47Å; Y159-H173 VanDerWaalsContact CG-CE1 3.47Å; Y159-H173 AromaticContact CG-NE2 3.82Å; V160-H173 WeakPolarHBondContact O-CA 3.37Å; S161-H173 PolarHBondContact OG-ND1 2.86Å; L170-H173 HydrophobicContact CD1-CB 4.37Å; L170-H173 HydrophobicContact CD2-CB 4.13Å
174F97.6Very high96Very high28 Ų2855.1 Ų55.112%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-147.9148.1-176.956.7-89.7000111.7Y159 V160 I162 R172 T176 Y207Y159-F174 CarbonylContact C-O 3.58Å; Y159-F174 VanDerWaalsContact CA-O 3.26Å; Y159-F174 WeakPolarHBondContact CA-O 3.39Å; Y159-F174 WeakPolarHBondContact CB-O 3.08Å; V160-F174 HydrophobicContact CB-CD2 4.35Å; V160-F174 HydrophobicContact CB-CE1 4.12Å; V160-F174 HydrophobicContact CB-CE2 3.74Å; V160-F174 HydrophobicContact CB-CZ 3.62Å; V160-F174 HydrophobicContact CG1-CE1 3.92Å; V160-F174 HydrophobicContact CG1-CE2 4.2Å; V160-F174 HydrophobicContact CG1-CZ 3.55Å; V160-F174 HydrophobicContact CG2-CE2 4.38Å; V160-F174 PolarHBondContact N-O 2.83Å; V160-F174 PolarHBondContact O-N 3.4Å; V160-F174 VanDerWaalsContact O-N 3.07Å; I162-F174 HydrophobicContact CD1-CE1 4.02Å; I162-F174 HydrophobicContact CG1-CE1 4.39Å; R172-F174 HydrophobicContact CB-CD1 4.43Å; F174-T176 HydrophobicContact CE2-CG2 4.49Å; F174-Y207 HydrophobicContact CD2-CD1 4.11Å; F174-Y207 AromaticContact CD2-CE1 3.91Å; F174-Y207 HydrophobicContact CD2-CE1 3.91Å; F174-Y207 AromaticContact CE2-CD1 3.49Å; F174-Y207 HydrophobicContact CE2-CD1 3.49Å; F174-Y207 VanDerWaalsContact CE2-CD1 3.49Å; F174-Y207 AromaticContact CE2-CD2 3.99Å; F174-Y207 HydrophobicContact CE2-CD2 3.99Å; F174-Y207 AromaticContact CE2-CE1 3.6Å; F174-Y207 HydrophobicContact CE2-CE1 3.6Å; F174-Y207 HydrophobicContact CE2-CE2 4.08Å; F174-Y207 AromaticContact CE2-CG 3.69Å; F174-Y207 HydrophobicContact CE2-CG 3.69Å; F174-Y207 AromaticContact CE2-CZ 3.9Å; F174-Y207 HydrophobicContact CZ-CD1 4.09Å; F174-Y207 HydrophobicContact CZ-CD2 4.48Å; F174-Y207 HydrophobicContact CZ-CG 4.01Å
175E96.7Very high96.1Very high100 Ų10055.4 Ų55.447%0.46727%0.271SS..EExtended strand (participates in β ladder)trans-73.4138.9176.9-171.8169.2171.600109.8K157 Y159K157-E175 IonicContact NZ-OE1 2.77Å; K157-E175 PolarHBondContact NZ-OE1 2.8Å; K157-E175 IonicContact NZ-OE2 3.35Å; K157-E175 PolarHBondContact NZ-OE2 2.93Å; Y159-E175 VanDerWaalsContact CD1-CA 3.5Å; Y159-E175 HydrophobicContact CD1-CB 3.9Å; Y159-E175 HydrophobicContact CD1-CG 4.49Å; Y159-E175 HydrophobicContact CE1-CB 3.66Å; Y159-E175 HydrophobicContact CE1-CG 4.08Å
176T95.8Very high96.2Very high6 Ų655.5 Ų55.54%0.03727%0.271CS..  trans-98.4143.517553.80000111.1D158 V160 F174 T178 L181 V195 Y207D158-T176 WeakPolarHBondContact CB-OG1 3.48Å; D158-T176 PolarHBondContact O-N 2.94Å; D158-T176 PolarHBondContact O-OG1 3.05Å; D158-T176 VanDerWaalsContact O-OG1 3.14Å; V160-T176 HydrophobicContact CB-CG2 4.25Å; V160-T176 HydrophobicContact CG2-CG2 3.53Å; F174-T176 HydrophobicContact CE2-CG2 4.49Å; T176-T178 PolarHBondContact O-N 3.08Å; T176-T178 VanDerWaalsContact O-N 3.12Å; T176-T178 PolarHBondContact OG1-OG1 3.06Å; T176-L181 HydrophobicContact CG2-CD1 4.05Å; T176-V195 HydrophobicContact CG2-CG1 4.34Å; T176-Y207 HydrophobicContact CG2-CE2 4.33Å
177E94.3Very high96.3Very high114 Ų11449.1 Ų49.153%0.53324%0.237SC..SBendtrans-78.314.2177.1-59.9-172.115800114K203 L205E177-K203 PolarHBondContact O-NZ 3.26Å; E177-K203 VanDerWaalsContact O-NZ 3.09Å; E177-L205 HydrophobicContact CB-CD1 4.14Å; E177-L205 HydrophobicContact CB-CD2 4.38Å
178T94.4Very high96.5Very high13 Ų1347.1 Ų47.18%0.0823%0.229CC..  trans-77.9148.1173.857.80000111T176 L181 V195 D197 L205T176-T178 PolarHBondContact O-N 3.08Å; T176-T178 VanDerWaalsContact O-N 3.12Å; T176-T178 PolarHBondContact OG1-OG1 3.06Å; T178-L181 HydrophobicContact CG2-CB 4.5Å; T178-L181 PolarHBondContact OG1-N 3.01Å; T178-V195 HydrophobicContact CG2-CG1 4.29Å; T178-D197 VanDerWaalsContact CA-OD2 3.23Å; T178-D197 WeakPolarHBondContact CA-OD2 3.34Å; T178-D197 WeakPolarHBondContact CB-OD2 3.35Å; T178-D197 HydrophobicContact CG2-CB 4.32Å; T178-L205 HydrophobicContact CG2-CD1 3.61Å
179Q93.4Very high96.4Very high134 Ų13450.4 Ų50.463%0.62625%0.248SC*.SBendtrans-76.6-43.1168.1-67.8-63.2-24.300111.3D197 E201Q179-D197 PolarHBondContact N-OD2 2.68Å; Q179-E201 HydrophobicContact CB-CG 4.11Å; Q179-E201 HydrophobicContact CG-CG 4Å
180D94.8Very high96.4Very high60 Ų6047.3 Ų47.332%0.32124%0.239SC..SBendtrans-147.183.8177.6-170.129000111.2K133 R153 D158 A182 D197 S198K133-D180 WeakPolarHBondContact CE-OD1 3.36Å; K133-D180 IonicContact NZ-OD1 2.83Å; K133-D180 PolarHBondContact NZ-OD1 3.43Å; R153-D180 IonicContact CZ-OD1 2.9Å; R153-D180 IonicContact NH1-OD1 3.8Å; R153-D180 PolarHBondContact NH1-OD1 3.09Å; R153-D180 IonicContact NH2-OD1 2.73Å; R153-D180 PolarHBondContact NH2-OD1 2.84Å; D158-D180 WeakPolarHBondContact OD2-CA 3.5Å; D180-A182 PolarHBondContact O-N 3.16Å; D180-D197 VanDerWaalsContact C-OD1 3.27Å; D180-D197 WeakPolarHBondContact CA-OD1 3.28Å; D180-D197 PolarHBondContact N-OD1 2.95Å; D180-D197 VanDerWaalsContact O-OD1 3.13Å; D180-S198 WeakPolarHBondContact O-CB 3.29Å; D180-S198 PolarHBondContact O-N 3.49Å
181L96.6Very high96.2Very high1 Ų146.8 Ų46.81%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-45.1111.1176.7-169165.7000112.4K133 A151 D158 V160 T176 T178 V195K133-L181 HydrophobicContact CD-CB 4.34Å; K133-L181 WeakPolarHBondContact CE-O 3.48Å; K133-L181 PolarHBondContact NZ-O 2.83Å; A151-L181 HydrophobicContact CB-CD1 4.24Å; A151-L181 HydrophobicContact CB-CD2 3.51Å; D158-L181 HydrophobicContact CB-CB 3.99Å; D158-L181 HydrophobicContact CB-CD1 4.5Å; D158-L181 WeakPolarHBondContact OD2-CB 3.43Å; D158-L181 PolarHBondContact OD2-N 3.06Å; V160-L181 HydrophobicContact CG2-CD1 3.89Å; T176-L181 HydrophobicContact CG2-CD1 4.05Å; T178-L181 HydrophobicContact CG2-CB 4.5Å; T178-L181 PolarHBondContact OG1-N 3.01Å; L181-V195 HydrophobicContact CD1-CG1 3.62Å; L181-V195 HydrophobicContact CD2-CG1 4.45Å; L181-V195 HydrophobicContact CG-CG1 3.67Å
182A96.4Very high96.1Very high25 Ų2545.2 Ų45.221%0.20723%0.234CC..EExtended strand (participates in β ladder)trans-96.9-25.2-177.100000113.5C135 Q136 D180 W196 D197C135-A182 WeakPolarHBondContact CB-O 3.38Å; Q136-A182 PolarHBondContact N-O 3.32Å; D180-A182 PolarHBondContact O-N 3.16Å; A182-W196 PolarHBondContact N-O 3.2Å; A182-D197 WeakPolarHBondContact CB-O 3.24Å
183G97.3Very high96.2Very high0 Ų039.9 Ų39.90%021%0.213CC..EExtended strand (participates in β ladder)trans-171.5172.6169.900000114.5K137 W196K137-G183 CarbonylContact O-C 3.59Å; K137-G183 WeakPolarHBondContact O-CA 3.29Å; G183-W196 VanDerWaalsContact CA-CZ2 3.49Å; G183-W196 PolarHBondContact N-O 3.45Å; G183-W196 PolarHBondContact O-N 2.9Å
184L98.2Very high96.2Very high2 Ų236.2 Ų36.21%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-140.7154.1175.359.176.6000110.7K137 D140 A149 A151 V160 L193 A194 V195K137-L184 PolarHBondContact O-N 3.29Å; D140-L184 HydrophobicContact CB-CD1 3.72Å; A149-L184 HydrophobicContact CB-CD1 3.84Å; A149-L184 HydrophobicContact CB-CD2 4.2Å; A151-L184 HydrophobicContact CB-CD2 3.98Å; V160-L184 HydrophobicContact CG2-CD2 4.27Å; L184-L193 HydrophobicContact CB-CD1 4.25Å; L184-L193 HydrophobicContact CD1-CD1 4.34Å; L184-A194 CarbonylContact C-O 3.58Å; L184-A194 WeakPolarHBondContact CA-O 3.25Å; L184-V195 HydrophobicContact CB-CG2 4.08Å
185E98.1Very high96.3Very high32 Ų3234.9 Ų34.915%0.1519%0.191CC..EExtended strand (participates in β ladder)trans-156.5127.6178.3-166.1174.8133.600111.1K137 D140 A194 W196 W231K137-E185 IonicContact NZ-OE2 3.83Å; K137-E185 PolarHBondContact NZ-OE2 2.85Å; D140-E185 WeakPolarHBondContact OD2-CA 3.31Å; E185-A194 PolarHBondContact N-O 2.85Å; E185-A194 PolarHBondContact O-N 2.84Å; E185-W196 HydrophobicContact CB-CH2 4.12Å; E185-W196 HydrophobicContact CB-CZ3 3.93Å; E185-W231 PolarHBondContact O-NE1 2.71Å; E185-W231 VanDerWaalsContact O-NE1 3.14Å
186W98.1Very high96.3Very high8 Ų831 Ų313%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-68.9140.4171.9-76.3105.4000110.4D140 F141 A149 I162 L193 L209 W231D140-W186 PolarHBondContact OD2-N 2.88Å; F141-W186 VanDerWaalsContact C-CD1 3.47Å; A149-W186 HydrophobicContact CB-CZ2 4.02Å; A149-W186 VanDerWaalsContact CB-NE1 3.34Å; I162-W186 HydrophobicContact CD1-CH2 4.08Å; I162-W186 HydrophobicContact CD1-CZ2 4.2Å; I162-W186 HydrophobicContact CG1-CZ2 4.48Å; I162-W186 HydrophobicContact CG2-CZ2 4.43Å; W186-L193 HydrophobicContact CD2-CB 4.43Å; W186-L193 HydrophobicContact CD2-CD1 3.9Å; W186-L193 HydrophobicContact CE3-CB 4.04Å; W186-L193 HydrophobicContact CE3-CD1 4.35Å; W186-L193 HydrophobicContact CG-CD1 4.07Å; W186-L193 HydrophobicContact CH2-CB 4.2Å; W186-L193 HydrophobicContact CZ2-CD1 4.45Å; W186-L193 HydrophobicContact CZ3-CB 3.92Å; W186-L209 HydrophobicContact CH2-CB 4.35Å; W186-L209 HydrophobicContact CH2-CD1 3.48Å; W186-L209 VanDerWaalsContact CH2-CD1 3.48Å; W186-L209 HydrophobicContact CZ2-CD1 4.13Å; W186-L209 HydrophobicContact CZ3-CD1 4.25Å; W186-W231 VanDerWaalsContact O-CD1 3.31Å
187S97.3Very high96.3Very high2 Ų230.7 Ų30.71%0.01417%0.17CC..  trans-60.9146.2165.9610000109.6N189 G190 C191 V192S187-N189 WeakPolarHBondContact CB-OD1 3.43Å; S187-N189 PolarHBondContact O-N 2.9Å; S187-N189 PolarHBondContact OG-OD1 2.91Å; S187-G190 WeakPolarHBondContact O-CA 3.3Å; S187-G190 PolarHBondContact O-N 2.93Å; S187-C191 PolarHBondContact OG-N 2.99Å; S187-V192 WeakPolarHBondContact CB-O 3.4Å; S187-V192 PolarHBondContact N-O 3.38Å; S187-V192 PolarHBondContact OG-N 3.31Å; S187-V192 PolarHBondContact OG-O 2.83Å; S187-V192 VanDerWaalsContact OG-O 3.09Å
188P96.3Very high96.3Very high43 Ų4325.9 Ų25.928%0.27915%0.149SC..THydrogen-bonded Turntrans-60-21.5-178.1-29.235.8000115.1R143 G190 W231 S232 S235R143-P188 WeakPolarHBondContact CB-O 3.39Å; R143-P188 VanDerWaalsContact CG-O 3.32Å; R143-P188 WeakPolarHBondContact CG-O 3.44Å; P188-G190 VanDerWaalsContact C-N 3.35Å; P188-W231 VanDerWaalsContact CD-CB 3.45Å; P188-W231 HydrophobicContact CG-CB 3.95Å; P188-S232 WeakPolarHBondContact CG-O 3.43Å; P188-S235 WeakPolarHBondContact CB-OG 3.44Å; P188-S235 VanDerWaalsContact CD-OG 3.3Å; P188-S235 WeakPolarHBondContact CD-OG 3.19Å
189N94.6Very high96.2Very high83 Ų8327.4 Ų27.444%0.44416%0.16SC..THydrogen-bonded Turntrans-84.4-2.8171.8680.7000114.2S187 C191 S235S187-N189 WeakPolarHBondContact CB-OD1 3.43Å; S187-N189 PolarHBondContact O-N 2.9Å; S187-N189 PolarHBondContact OG-OD1 2.91Å; N189-C191 PolarHBondContact O-N 2.85Å; N189-C191 PolarHBondContact OD1-N 2.91Å; N189-C191 VanDerWaalsContact OD1-N 3.15Å; N189-S235 PolarHBondContact N-OG 2.81Å
190G94.3Very high96.2Very high20 Ų2026.8 Ų26.821%0.20616%0.16CC..SBendtrans72.94.7178.500000115.6S187 P188S187-G190 WeakPolarHBondContact O-CA 3.3Å; S187-G190 PolarHBondContact O-N 2.93Å; P188-G190 VanDerWaalsContact C-N 3.35Å
191C93.3Very high96.1Very high75 Ų7527.1 Ų27.151%0.50716%0.16SC..SBendtrans-85.3-25.7-173.1-59.10000114.1S187 N189S187-C191 PolarHBondContact OG-N 2.99Å; N189-C191 PolarHBondContact O-N 2.85Å; N189-C191 PolarHBondContact OD1-N 2.91Å; N189-C191 VanDerWaalsContact OD1-N 3.15Å
192V97.1Very high96.1Very high14 Ų1427.2 Ų27.29%0.08516%0.16CC..EExtended strand (participates in β ladder)trans-136.6138.5-168.7-178.70000109.5S187 L206 Y207 L214 W231 W255S187-V192 WeakPolarHBondContact CB-O 3.4Å; S187-V192 PolarHBondContact N-O 3.38Å; S187-V192 PolarHBondContact OG-N 3.31Å; S187-V192 PolarHBondContact OG-O 2.83Å; S187-V192 VanDerWaalsContact OG-O 3.09Å; V192-L206 HydrophobicContact CG1-CB 4.24Å; V192-L206 HydrophobicContact CG1-CD2 3.86Å; V192-Y207 CarbonylContact C-O 3.43Å; V192-Y207 WeakPolarHBondContact CA-O 3.07Å; V192-L214 HydrophobicContact CG1-CD1 4.25Å; V192-L214 HydrophobicContact CG2-CD1 4.11Å; V192-W231 HydrophobicContact CB-CH2 4.35Å; V192-W231 HydrophobicContact CG1-CH2 4.06Å; V192-W231 HydrophobicContact CG1-CZ2 4.22Å; V192-W255 HydrophobicContact CB-CH2 4.28Å; V192-W255 HydrophobicContact CB-CZ2 4.28Å; V192-W255 HydrophobicContact CG1-CH2 3.9Å; V192-W255 HydrophobicContact CG1-CZ2 3.86Å; V192-W255 HydrophobicContact CG2-CH2 4.1Å; V192-W255 HydrophobicContact CG2-CZ2 3.73Å
193L98.1Very high96.1Very high0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-106.8118.4173.1-177.866.2000109A149 V160 L184 W186 V195 L206 Y207A149-L193 HydrophobicContact CB-CD1 3.9Å; A149-L193 HydrophobicContact CB-CD2 3.91Å; V160-L193 HydrophobicContact CG1-CD2 3.69Å; L184-L193 HydrophobicContact CB-CD1 4.25Å; L184-L193 HydrophobicContact CD1-CD1 4.34Å; W186-L193 HydrophobicContact CD2-CB 4.43Å; W186-L193 HydrophobicContact CD2-CD1 3.9Å; W186-L193 HydrophobicContact CE3-CB 4.04Å; W186-L193 HydrophobicContact CE3-CD1 4.35Å; W186-L193 HydrophobicContact CG-CD1 4.07Å; W186-L193 HydrophobicContact CH2-CB 4.2Å; W186-L193 HydrophobicContact CZ2-CD1 4.45Å; W186-L193 HydrophobicContact CZ3-CB 3.92Å; L193-V195 HydrophobicContact CD2-CG2 4.16Å; L193-V195 HydrophobicContact CG-CG2 4.07Å; L193-L206 WeakPolarHBondContact O-CA 3.38Å; L193-Y207 PolarHBondContact N-O 3.12Å; L193-Y207 PolarHBondContact O-N 3.26Å
194A98.4Very high96.1Very high0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-84.4134.9167.500000109.4L184 E185 L206 W231 L238L184-A194 CarbonylContact C-O 3.58Å; L184-A194 WeakPolarHBondContact CA-O 3.25Å; E185-A194 PolarHBondContact N-O 2.85Å; E185-A194 PolarHBondContact O-N 2.84Å; A194-L206 HydrophobicContact CB-CD2 4Å; A194-W231 HydrophobicContact CB-CZ2 3.66Å; A194-L238 HydrophobicContact CB-CD2 4.16Å
195V98.4Very high96.1Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-130.5137.4175-1790000107.3V160 T176 T178 L181 L184 L193 V204 L205 Y207V160-V195 HydrophobicContact CG2-CG2 4.1Å; T176-V195 HydrophobicContact CG2-CG1 4.34Å; T178-V195 HydrophobicContact CG2-CG1 4.29Å; L181-V195 HydrophobicContact CD1-CG1 3.62Å; L181-V195 HydrophobicContact CD2-CG1 4.45Å; L181-V195 HydrophobicContact CG-CG1 3.67Å; L184-V195 HydrophobicContact CB-CG2 4.08Å; L193-V195 HydrophobicContact CD2-CG2 4.16Å; L193-V195 HydrophobicContact CG-CG2 4.07Å; V195-V204 CarbonylContact O-C 3.55Å; V195-V204 WeakPolarHBondContact O-CA 3.44Å; V195-L205 HydrophobicContact CB-CB 4.43Å; V195-L205 PolarHBondContact N-O 2.54Å; V195-L205 PolarHBondContact O-N 2.96Å; V195-Y207 HydrophobicContact CB-CD2 4.37Å; V195-Y207 HydrophobicContact CB-CE2 4.24Å; V195-Y207 HydrophobicContact CG2-CD2 3.85Å; V195-Y207 HydrophobicContact CG2-CE2 4.07Å
196W97.8Very high96.1Very high18 Ų1827 Ų277%0.06815%0.154CC..EExtended strand (participates in β ladder)trans-136.5153179.96290.3000112.8K137 A182 G183 E185 K203 V204 V226 V229K137-W196 HydrophobicContact CB-CH2 4.1Å; K137-W196 HydrophobicContact CB-CZ2 3.97Å; K137-W196 HydrophobicContact CD-CH2 3.71Å; K137-W196 HydrophobicContact CD-CZ2 3.8Å; K137-W196 HydrophobicContact CG-CZ2 4.35Å; A182-W196 PolarHBondContact N-O 3.2Å; G183-W196 VanDerWaalsContact CA-CZ2 3.49Å; G183-W196 PolarHBondContact N-O 3.45Å; G183-W196 PolarHBondContact O-N 2.9Å; E185-W196 HydrophobicContact CB-CH2 4.12Å; E185-W196 HydrophobicContact CB-CZ3 3.93Å; W196-K203 VanDerWaalsContact CA-O 3.31Å; W196-K203 WeakPolarHBondContact CA-O 3.3Å; W196-V204 HydrophobicContact CB-CG2 4.01Å; W196-V226 HydrophobicContact CB-CG1 4.29Å; W196-V226 HydrophobicContact CG-CG1 4.16Å; W196-V229 HydrophobicContact CB-CG2 4.33Å; W196-V229 HydrophobicContact CD2-CB 4.13Å; W196-V229 HydrophobicContact CD2-CG2 3.68Å; W196-V229 HydrophobicContact CE3-CB 3.95Å; W196-V229 HydrophobicContact CE3-CG1 4.14Å; W196-V229 HydrophobicContact CE3-CG2 3.88Å; W196-V229 HydrophobicContact CG-CG2 3.87Å; W196-V229 HydrophobicContact CH2-CB 4.36Å; W196-V229 HydrophobicContact CZ3-CB 4.07Å; W196-V229 HydrophobicContact CZ3-CG1 4.22Å; W196-V229 HydrophobicContact CZ3-CG2 4.48Å
197D95.8Very high96.1Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-77.8171.7180-140.4-42.2000112.1T178 Q179 D180 A182 E201 K203T178-D197 VanDerWaalsContact CA-OD2 3.23Å; T178-D197 WeakPolarHBondContact CA-OD2 3.34Å; T178-D197 WeakPolarHBondContact CB-OD2 3.35Å; T178-D197 HydrophobicContact CG2-CB 4.32Å; Q179-D197 PolarHBondContact N-OD2 2.68Å; D180-D197 VanDerWaalsContact C-OD1 3.27Å; D180-D197 WeakPolarHBondContact CA-OD1 3.28Å; D180-D197 PolarHBondContact N-OD1 2.95Å; D180-D197 VanDerWaalsContact O-OD1 3.13Å; A182-D197 WeakPolarHBondContact CB-O 3.24Å; D197-E201 HydrophobicContact CB-CB 3.9Å; D197-K203 HydrophobicContact CB-CB 4.14Å; D197-K203 PolarHBondContact N-O 3.41Å
198S93.4Very high96Very high13 Ų1327.8 Ų27.89%0.09116%0.16CC..  trans-63.9169.8172.874.70000112.1D180 L200 E201D180-S198 WeakPolarHBondContact O-CB 3.29Å; D180-S198 PolarHBondContact O-N 3.49Å; S198-L200 PolarHBondContact O-N 3.14Å; S198-L200 PolarHBondContact OG-N 2.87Å; S198-E201 PolarHBondContact O-N 3.29Å; S198-E201 VanDerWaalsContact O-N 3.12Å
199C92.5Very high96Very high46 Ų4628.1 Ų28.131%0.31116%0.159SC..THydrogen-bonded Turntrans-62.8-6.5176.763.60000114L224 G225 Y243C199-L224 CarbonylContact O-C 3.55Å; C199-L224 WeakPolarHBondContact O-CA 3.18Å; C199-L224 VanDerWaalsContact O-CD2 3.3Å; C199-L224 WeakPolarHBondContact O-CD2 3.14Å; C199-G225 PolarHBondContact O-N 3.02Å; C199-Y243 HydrophobicContact CB-CD2 3.86Å; C199-Y243 HydrophobicContact CB-CE2 3.27Å
200L93.1Very high95.9Very high121 Ų12127.1 Ų27.163%0.63415%0.153SC*.THydrogen-bonded Turntrans-84.1-19.3177.5-58.1-179.9000112.8S198 L224S198-L200 PolarHBondContact O-N 3.14Å; S198-L200 PolarHBondContact OG-N 2.87Å; L200-L224 HydrophobicContact CD2-CD2 4.39Å
201E93.6Very high96Very high67 Ų6727 Ų2731%0.31315%0.152SC..SBendtrans-131.8142-175.9-71-68.1161.900110.3Q179 D197 S198 K203 G225Q179-E201 HydrophobicContact CB-CG 4.11Å; Q179-E201 HydrophobicContact CG-CG 4Å; D197-E201 HydrophobicContact CB-CB 3.9Å; S198-E201 PolarHBondContact O-N 3.29Å; S198-E201 VanDerWaalsContact O-N 3.12Å; E201-K203 PolarHBondContact O-N 2.91Å; E201-G225 WeakPolarHBondContact O-CA 3.33Å
202Y95.5Very high96.1Very high2 Ų231.9 Ų31.91%0.00816%0.16CC..  trans-98.380.4174.3-157.5-63000110.3Y217 C218 A219 Y220 V226 I240 S242 R248Y202-Y217 AromaticContact CE1-CD1 3.91Å; Y202-Y217 HydrophobicContact CE1-CD1 3.91Å; Y202-Y217 AromaticContact CE1-CE1 3.71Å; Y202-Y217 HydrophobicContact CE1-CE1 3.71Å; Y202-C218 WeakPolarHBondContact O-CA 3.43Å; Y202-C218 WeakPolarHBondContact O-CB 3.22Å; Y202-C218 PolarHBondContact O-SG 3.28Å; Y202-A219 HydrophobicContact CD1-CB 3.92Å; Y202-A219 VanDerWaalsContact CD1-N 3.3Å; Y202-A219 HydrophobicContact CD2-CB 4.18Å; Y202-A219 HydrophobicContact CE1-CB 3.55Å; Y202-A219 HydrophobicContact CE2-CB 3.78Å; Y202-A219 HydrophobicContact CG-CB 4.23Å; Y202-A219 VanDerWaalsContact CZ-CB 3.47Å; Y202-Y220 WeakPolarHBondContact CB-O 3.32Å; Y202-Y220 HydrophobicContact CD2-CD1 4.29Å; Y202-Y220 HydrophobicContact CD2-CD2 4.22Å; Y202-Y220 AromaticContact CD2-CE1 3.64Å; Y202-Y220 HydrophobicContact CD2-CE1 3.64Å; Y202-Y220 AromaticContact CD2-CE2 3.55Å; Y202-Y220 HydrophobicContact CD2-CE2 3.55Å; Y202-Y220 AromaticContact CD2-CZ 3.25Å; Y202-Y220 WeakPolarHBondContact CD2-OH 3.47Å; Y202-Y220 HydrophobicContact CE2-CD1 4.5Å; Y202-Y220 AromaticContact CE2-CE1 3.67Å; Y202-Y220 HydrophobicContact CE2-CE1 3.67Å; Y202-Y220 HydrophobicContact CE2-CE2 4.38Å; Y202-Y220 AromaticContact CE2-CZ 3.63Å; Y202-Y220 HydrophobicContact CG-CE2 4.24Å; Y202-V226 HydrophobicContact CD1-CG2 4.28Å; Y202-V226 HydrophobicContact CE1-CG2 4.26Å; Y202-V226 HydrophobicContact CG-CG2 4.45Å; Y202-I240 HydrophobicContact CE1-CG2 4.5Å; Y202-I240 WeakPolarHBondContact OH-CG2 3.2Å; Y202-S242 WeakPolarHBondContact CE2-OG 3.09Å; Y202-S242 PolarHBondContact OH-OG 3.09Å; Y202-R248 WeakPolarHBondContact OH-CD 3.45Å
203K96.2Very high96.1Very high55 Ų5534.4 Ų34.424%0.23917%0.172CC..  trans-130.1129.9171-62.4-178.7-179.2-178.80111.8E177 W196 D197 E201E177-K203 PolarHBondContact O-NZ 3.26Å; E177-K203 VanDerWaalsContact O-NZ 3.09Å; W196-K203 VanDerWaalsContact CA-O 3.31Å; W196-K203 WeakPolarHBondContact CA-O 3.3Å; D197-K203 HydrophobicContact CB-CB 4.14Å; D197-K203 PolarHBondContact N-O 3.41Å; E201-K203 PolarHBondContact O-N 2.91Å
204V98Very high96.1Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-122.2120.4164.3-177.30000107.4V195 W196 Y217 V226 L238 I240V195-V204 CarbonylContact O-C 3.55Å; V195-V204 WeakPolarHBondContact O-CA 3.44Å; W196-V204 HydrophobicContact CB-CG2 4.01Å; V204-Y217 PolarHBondContact N-O 3.18Å; V204-Y217 PolarHBondContact O-N 2.93Å; V204-V226 HydrophobicContact CG2-CG2 3.69Å; V204-L238 HydrophobicContact CG1-CD2 4.2Å; V204-I240 HydrophobicContact CB-CD1 4.17Å; V204-I240 HydrophobicContact CG1-CD1 4.33Å; V204-I240 HydrophobicContact CG2-CD1 3.76Å; V204-I240 HydrophobicContact CG2-CG1 4.24Å; V204-I240 HydrophobicContact CG2-CG2 4.34Å
205L98.3Very high96Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-108.5141-178.8-59.5164.7000108.6E177 T178 V195 Y207 L213 T216E177-L205 HydrophobicContact CB-CD1 4.14Å; E177-L205 HydrophobicContact CB-CD2 4.38Å; T178-L205 HydrophobicContact CG2-CD1 3.61Å; V195-L205 HydrophobicContact CB-CB 4.43Å; V195-L205 PolarHBondContact N-O 2.54Å; V195-L205 PolarHBondContact O-N 2.96Å; L205-Y207 HydrophobicContact CB-CD2 4.24Å; L205-Y207 HydrophobicContact CB-CE2 3.53Å; L205-Y207 HydrophobicContact CD1-CE2 4.19Å; L205-Y207 HydrophobicContact CG-CE2 4.46Å; L205-L213 HydrophobicContact CB-CD1 4.02Å; L205-L213 HydrophobicContact CD2-CD1 3.86Å; L205-T216 HydrophobicContact CD2-CG2 3.65Å; L205-T216 VanDerWaalsContact CD2-OG1 3.25Å; L205-T216 WeakPolarHBondContact CD2-OG1 3.36Å
206L98.3Very high96Very high0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-122.1119.3-177.7-68155.7000108.5V192 L193 A194 L214 S215 W231 L238 W255V192-L206 HydrophobicContact CG1-CB 4.24Å; V192-L206 HydrophobicContact CG1-CD2 3.86Å; L193-L206 WeakPolarHBondContact O-CA 3.38Å; A194-L206 HydrophobicContact CB-CD2 4Å; L206-L214 HydrophobicContact CB-CB 4.49Å; L206-L214 WeakPolarHBondContact O-CA 3.44Å; L206-L214 WeakPolarHBondContact O-CB 3.49Å; L206-L214 PolarHBondContact O-N 2.76Å; L206-S215 PolarHBondContact N-O 3.17Å; L206-S215 PolarHBondContact O-N 3.2Å; L206-W231 HydrophobicContact CD2-CH2 3.9Å; L206-W231 HydrophobicContact CD2-CZ2 4.02Å; L206-L238 HydrophobicContact CD2-CD2 3.91Å; L206-W255 HydrophobicContact CD1-CB 3.7Å; L206-W255 HydrophobicContact CD1-CD2 3.34Å; L206-W255 HydrophobicContact CD1-CE3 3.26Å; L206-W255 HydrophobicContact CD1-CG 3.53Å; L206-W255 HydrophobicContact CD1-CZ3 4.03Å; L206-W255 HydrophobicContact CD2-CE3 4.04Å; L206-W255 HydrophobicContact CD2-CH2 4.34Å; L206-W255 HydrophobicContact CD2-CZ3 3.92Å; L206-W255 HydrophobicContact CG-CD2 4.37Å; L206-W255 HydrophobicContact CG-CE3 4.24Å
207Y98Very high96Very high7 Ų743.1 Ų43.13%0.02722%0.223CC..EExtended strand (participates in β ladder)trans-114.4147-176.9-67.1-85.6000111F174 T176 V192 L193 V195 L205 R212 L213F174-Y207 HydrophobicContact CD2-CD1 4.11Å; F174-Y207 AromaticContact CD2-CE1 3.91Å; F174-Y207 HydrophobicContact CD2-CE1 3.91Å; F174-Y207 AromaticContact CE2-CD1 3.49Å; F174-Y207 HydrophobicContact CE2-CD1 3.49Å; F174-Y207 VanDerWaalsContact CE2-CD1 3.49Å; F174-Y207 AromaticContact CE2-CD2 3.99Å; F174-Y207 HydrophobicContact CE2-CD2 3.99Å; F174-Y207 AromaticContact CE2-CE1 3.6Å; F174-Y207 HydrophobicContact CE2-CE1 3.6Å; F174-Y207 HydrophobicContact CE2-CE2 4.08Å; F174-Y207 AromaticContact CE2-CG 3.69Å; F174-Y207 HydrophobicContact CE2-CG 3.69Å; F174-Y207 AromaticContact CE2-CZ 3.9Å; F174-Y207 HydrophobicContact CZ-CD1 4.09Å; F174-Y207 HydrophobicContact CZ-CD2 4.48Å; F174-Y207 HydrophobicContact CZ-CG 4.01Å; T176-Y207 HydrophobicContact CG2-CE2 4.33Å; V192-Y207 CarbonylContact C-O 3.43Å; V192-Y207 WeakPolarHBondContact CA-O 3.07Å; L193-Y207 PolarHBondContact N-O 3.12Å; L193-Y207 PolarHBondContact O-N 3.26Å; V195-Y207 HydrophobicContact CB-CD2 4.37Å; V195-Y207 HydrophobicContact CB-CE2 4.24Å; V195-Y207 HydrophobicContact CG2-CD2 3.85Å; V195-Y207 HydrophobicContact CG2-CE2 4.07Å; L205-Y207 HydrophobicContact CB-CD2 4.24Å; L205-Y207 HydrophobicContact CB-CE2 3.53Å; L205-Y207 HydrophobicContact CD1-CE2 4.19Å; L205-Y207 HydrophobicContact CG-CE2 4.46Å; Y207-R212 VanDerWaalsContact CA-O 3.29Å; Y207-R212 WeakPolarHBondContact CA-O 3.17Å; Y207-L213 HydrophobicContact CD1-CB 4.18Å; Y207-L213 HydrophobicContact CD1-CD1 4.27Å; Y207-L213 HydrophobicContact CE1-CB 3.84Å; Y207-L213 HydrophobicContact CE1-CD1 3.82Å; Y207-L213 HydrophobicContact CE1-CG 4.41Å; Y207-L213 HydrophobicContact CE2-CD1 4.26Å
208S96.1Very high96Very high20 Ų2045.9 Ų45.914%0.1424%0.242CC..EExtended strand (participates in β ladder)trans-80.6163.5162.243.70000110.9D210 G211 R212S208-D210 VanDerWaalsContact CB-OD1 3.29Å; S208-D210 WeakPolarHBondContact CB-OD1 3.15Å; S208-D210 PolarHBondContact O-N 2.7Å; S208-D210 VanDerWaalsContact O-N 3.13Å; S208-D210 PolarHBondContact OG-OD1 3.5Å; S208-G211 PolarHBondContact O-N 3.48Å; S208-R212 PolarHBondContact N-O 2.8Å; S208-R212 WeakPolarHBondContact OG-CB 3.46Å; S208-R212 PolarHBondContact OG-N 2.75Å; S208-R212 PolarHBondContact OG-O 2.69Å
209L94.9Very high96Very high49 Ų4947 Ų4726%0.25725%0.251SS..THydrogen-bonded Turntrans-54.8-29.6177.5179.266.3000113.7Y147 I162 W186 G211Y147-L209 HydrophobicContact CD1-CD1 4.32Å; Y147-L209 HydrophobicContact CD2-CD1 3.94Å; Y147-L209 HydrophobicContact CD2-CD2 4.19Å; Y147-L209 HydrophobicContact CE2-CD1 4.24Å; Y147-L209 HydrophobicContact CE2-CD2 3.69Å; Y147-L209 HydrophobicContact CG-CD1 3.97Å; I162-L209 HydrophobicContact CD1-CD1 4.29Å; I162-L209 WeakPolarHBondContact CD1-O 3.49Å; I162-L209 HydrophobicContact CG2-CD1 4.09Å; W186-L209 HydrophobicContact CH2-CB 4.35Å; W186-L209 HydrophobicContact CH2-CD1 3.48Å; W186-L209 VanDerWaalsContact CH2-CD1 3.48Å; W186-L209 HydrophobicContact CZ2-CD1 4.13Å; W186-L209 HydrophobicContact CZ3-CD1 4.25Å; L209-G211 PolarHBondContact O-N 3.33Å
210D93.8Very high96Very high63 Ų6347 Ų4734%0.33725%0.245SC..THydrogen-bonded Turntrans-79.6-3.1177.669.9-18.2000114S208 R212S208-D210 VanDerWaalsContact CB-OD1 3.29Å; S208-D210 WeakPolarHBondContact CB-OD1 3.15Å; S208-D210 PolarHBondContact O-N 2.7Å; S208-D210 VanDerWaalsContact O-N 3.13Å; S208-D210 PolarHBondContact OG-OD1 3.5Å; D210-R212 PolarHBondContact OD1-N 3.31Å; D210-R212 WeakPolarHBondContact OD2-CD 3.43Å; D210-R212 IonicContact OD2-CZ 3.56Å; D210-R212 VanDerWaalsContact OD2-CZ 3.3Å; D210-R212 IonicContact OD2-NE 2.72Å; D210-R212 PolarHBondContact OD2-NE 2.53Å; D210-R212 IonicContact OD2-NH1 3.65Å; D210-R212 IonicContact OD2-NH2 3.61Å
211G94.7Very high95.8Very high17 Ų1747.2 Ų47.218%0.17524%0.243CC..SBendtrans92.57.4177.500000115S208 L209S208-G211 PolarHBondContact O-N 3.48Å; L209-G211 PolarHBondContact O-N 3.33Å
212R96.3Very high95.4Very high177 Ų17754.9 Ų54.967%0.66827%0.269SS*.  trans-76.7135.1176.4-60.8173.1178.7167.93.8110.8Y207 S208 D210 L214Y207-R212 VanDerWaalsContact CA-O 3.29Å; Y207-R212 WeakPolarHBondContact CA-O 3.17Å; S208-R212 PolarHBondContact N-O 2.8Å; S208-R212 WeakPolarHBondContact OG-CB 3.46Å; S208-R212 PolarHBondContact OG-N 2.75Å; S208-R212 PolarHBondContact OG-O 2.69Å; D210-R212 PolarHBondContact OD1-N 3.31Å; D210-R212 WeakPolarHBondContact OD2-CD 3.43Å; D210-R212 IonicContact OD2-CZ 3.56Å; D210-R212 VanDerWaalsContact OD2-CZ 3.3Å; D210-R212 IonicContact OD2-NE 2.72Å; D210-R212 PolarHBondContact OD2-NE 2.53Å; D210-R212 IonicContact OD2-NH1 3.65Å; D210-R212 IonicContact OD2-NH2 3.61Å; R212-L214 PolarHBondContact O-N 3.04Å
213L97.6Very high95.1Very high67 Ų6758.2 Ų58.235%0.35129%0.292SS..EExtended strand (participates in β ladder)trans-72.3111.6171.3-178.363.9000109.3L205 Y207 S215L205-L213 HydrophobicContact CB-CD1 4.02Å; L205-L213 HydrophobicContact CD2-CD1 3.86Å; Y207-L213 HydrophobicContact CD1-CB 4.18Å; Y207-L213 HydrophobicContact CD1-CD1 4.27Å; Y207-L213 HydrophobicContact CE1-CB 3.84Å; Y207-L213 HydrophobicContact CE1-CD1 3.82Å; Y207-L213 HydrophobicContact CE1-CG 4.41Å; Y207-L213 HydrophobicContact CE2-CD1 4.26Å; L213-S215 WeakPolarHBondContact CD1-O 3.46Å
214L96.7Very high94.9Very high80 Ų8058.6 Ų58.642%0.41930%0.297SS..EExtended strand (participates in β ladder)trans-82.1-41178.9-58177.3000111.5V192 L206 R212V192-L214 HydrophobicContact CG1-CD1 4.25Å; V192-L214 HydrophobicContact CG2-CD1 4.11Å; L206-L214 HydrophobicContact CB-CB 4.49Å; L206-L214 WeakPolarHBondContact O-CA 3.44Å; L206-L214 WeakPolarHBondContact O-CB 3.49Å; L206-L214 PolarHBondContact O-N 2.76Å; R212-L214 PolarHBondContact O-N 3.04Å
215S97.4Very high94.6Very high29 Ų2958.6 Ų58.620%0.20330%0.297CS..EExtended strand (participates in β ladder)trans-162152.8-178.9-163.50000112.2L206 L213 W255L206-S215 PolarHBondContact N-O 3.17Å; L206-S215 PolarHBondContact O-N 3.2Å; L213-S215 WeakPolarHBondContact CD1-O 3.46Å; S215-W255 WeakPolarHBondContact OG-CB 3.39Å
216T97.4Very high94.5Very high65 Ų6558.9 Ų58.940%0.39930%0.298SS..EExtended strand (participates in β ladder)trans-120.8126171.1-58.30000108.5L205L205-T216 HydrophobicContact CD2-CG2 3.65Å; L205-T216 VanDerWaalsContact CD2-OG1 3.25Å; L205-T216 WeakPolarHBondContact CD2-OG1 3.36Å
217Y97.7Very high94.3Very high27 Ų2761 Ų6111%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-112.9122.9176-175.7-103.2000110.9Y202 V204 A219 I240 R248 L250 K257Y202-Y217 AromaticContact CE1-CD1 3.91Å; Y202-Y217 HydrophobicContact CE1-CD1 3.91Å; Y202-Y217 AromaticContact CE1-CE1 3.71Å; Y202-Y217 HydrophobicContact CE1-CE1 3.71Å; V204-Y217 PolarHBondContact N-O 3.18Å; V204-Y217 PolarHBondContact O-N 2.93Å; Y217-A219 HydrophobicContact CE1-CB 4.26Å; Y217-I240 HydrophobicContact CD1-CD1 3.56Å; Y217-I240 HydrophobicContact CE1-CD1 3.94Å; Y217-I240 HydrophobicContact CG-CD1 4.47Å; Y217-R248 WeakPolarHBondContact OH-CD 3.2Å; Y217-L250 HydrophobicContact CD1-CD1 4.02Å; Y217-L250 HydrophobicContact CD1-CD2 4.15Å; Y217-L250 HydrophobicContact CD2-CD1 4.13Å; Y217-L250 HydrophobicContact CD2-CD2 3.71Å; Y217-L250 HydrophobicContact CE1-CD2 4.08Å; Y217-L250 HydrophobicContact CE2-CD2 3.68Å; Y217-L250 HydrophobicContact CG-CD1 3.7Å; Y217-L250 HydrophobicContact CG-CD2 3.97Å; Y217-L250 HydrophobicContact CG-CG 4.47Å; Y217-K257 HydrophobicContact CE2-CB 4.08Å
218C96.5Very high94.3Very high59 Ų5961.4 Ų61.440%0.39931%0.312SS..  trans-132.6125.4173.7177.20000108.4Y202 Y220Y202-C218 WeakPolarHBondContact O-CA 3.43Å; Y202-C218 WeakPolarHBondContact O-CB 3.22Å; Y202-C218 PolarHBondContact O-SG 3.28Å; C218-Y220 PolarHBondContact SG-O 3.13Å
219A94.3Very high94.3Very high35 Ų3560.8 Ų60.829%0.28931%0.307SS..SBendtrans-86.8-31.3178.500000112.6Y202 Y217Y202-A219 HydrophobicContact CD1-CB 3.92Å; Y202-A219 VanDerWaalsContact CD1-N 3.3Å; Y202-A219 HydrophobicContact CD2-CB 4.18Å; Y202-A219 HydrophobicContact CE1-CB 3.55Å; Y202-A219 HydrophobicContact CE2-CB 3.78Å; Y202-A219 HydrophobicContact CG-CB 4.23Å; Y202-A219 VanDerWaalsContact CZ-CB 3.47Å; Y217-A219 HydrophobicContact CE1-CB 4.26Å
220Y92.8Very high94.5Very high48 Ų4859.5 Ų59.519%0.18830%0.302CS..  trans-167.6157.8-178.247.2-100.3000109.6Y202 C218 L224 D244Y202-Y220 WeakPolarHBondContact CB-O 3.32Å; Y202-Y220 HydrophobicContact CD2-CD1 4.29Å; Y202-Y220 HydrophobicContact CD2-CD2 4.22Å; Y202-Y220 AromaticContact CD2-CE1 3.64Å; Y202-Y220 HydrophobicContact CD2-CE1 3.64Å; Y202-Y220 AromaticContact CD2-CE2 3.55Å; Y202-Y220 HydrophobicContact CD2-CE2 3.55Å; Y202-Y220 AromaticContact CD2-CZ 3.25Å; Y202-Y220 WeakPolarHBondContact CD2-OH 3.47Å; Y202-Y220 HydrophobicContact CE2-CD1 4.5Å; Y202-Y220 AromaticContact CE2-CE1 3.67Å; Y202-Y220 HydrophobicContact CE2-CE1 3.67Å; Y202-Y220 HydrophobicContact CE2-CE2 4.38Å; Y202-Y220 AromaticContact CE2-CZ 3.63Å; Y202-Y220 HydrophobicContact CG-CE2 4.24Å; C218-Y220 PolarHBondContact SG-O 3.13Å; Y220-L224 VanDerWaalsContact CE2-O 3.31Å; Y220-L224 WeakPolarHBondContact CE2-O 3.16Å; Y220-L224 PolarHBondContact OH-O 3.34Å; Y220-D244 HydrophobicContact CE1-CB 4.16Å; Y220-D244 VanDerWaalsContact CE1-OD2 3.32Å; Y220-D244 WeakPolarHBondContact CE1-OD2 3.44Å
221E87.8Confident94.7Very high125 Ų12557 Ų5758%0.58429%0.288SS*.SBendtrans-98.1-30.4-174.4-64.7179.8178.900113.8
222W84.6Confident94.8Very high228 Ų22856.1 Ų56.186%0.86428%0.28SS*.SBendtrans-119.365.5-169.5-54.9-76.4000113.3
223S89.9Confident94.8Very high71 Ų7150.6 Ų50.650%0.49727%0.267SS..SBendtrans-166.9176.9168.5-158.60000110.9G225S223-G225 PolarHBondContact O-N 2.85Å
224L91.6Very high94.8Very high63 Ų6349.7 Ų49.733%0.3327%0.266SS..  trans-60.4131.6172.7-67177.2000110.6C199 L200 Y220 Y243 I330C199-L224 CarbonylContact O-C 3.55Å; C199-L224 WeakPolarHBondContact O-CA 3.18Å; C199-L224 VanDerWaalsContact O-CD2 3.3Å; C199-L224 WeakPolarHBondContact O-CD2 3.14Å; L200-L224 HydrophobicContact CD2-CD2 4.39Å; Y220-L224 VanDerWaalsContact CE2-O 3.31Å; Y220-L224 WeakPolarHBondContact CE2-O 3.16Å; Y220-L224 PolarHBondContact OH-O 3.34Å; L224-Y243 HydrophobicContact CB-CD1 4.3Å; L224-Y243 HydrophobicContact CB-CD2 4.18Å; L224-Y243 HydrophobicContact CB-CG 3.71Å; L224-Y243 HydrophobicContact CD1-CD1 3.89Å; L224-Y243 HydrophobicContact CD1-CE1 4.49Å; L224-Y243 HydrophobicContact CD1-CG 4.17Å; L224-I330 HydrophobicContact CD1-CD1 4.35Å
225G91.7Very high94.8Very high0 Ų046.1 Ų46.10%025%0.248CC..  trans-86.8-126.1-166.900000115.1C199 E201 S223 Y243C199-G225 PolarHBondContact O-N 3.02Å; E201-G225 WeakPolarHBondContact O-CA 3.33Å; S223-G225 PolarHBondContact O-N 2.85Å; G225-Y243 PolarHBondContact O-N 3.31Å; G225-Y243 VanDerWaalsContact O-N 3.1Å
226V95.6Very high94.7Very high6 Ų649.5 Ų49.54%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-80.8134.2-175.5-178.60000110.2W196 Y202 V204 V229 I240W196-V226 HydrophobicContact CB-CG1 4.29Å; W196-V226 HydrophobicContact CG-CG1 4.16Å; Y202-V226 HydrophobicContact CD1-CG2 4.28Å; Y202-V226 HydrophobicContact CE1-CG2 4.26Å; Y202-V226 HydrophobicContact CG-CG2 4.45Å; V204-V226 HydrophobicContact CG2-CG2 3.69Å; V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å; V226-I240 HydrophobicContact CG1-CG2 4.08Å; V226-I240 HydrophobicContact CG2-CG2 4.13Å
227K95.8Very high94.7Very high44 Ų4447.9 Ų47.919%0.19125%0.248CC..EExtended strand (participates in β ladder)trans-111.2-39.3176.7-172.2175.8168.5101.30112.3G241 Y243 I330 V332 D349K227-G241 WeakPolarHBondContact CA-O 3.4Å; K227-G241 WeakPolarHBondContact CB-O 3.49Å; K227-G241 PolarHBondContact N-O 3.47Å; K227-Y243 HydrophobicContact CB-CD2 3.65Å; K227-Y243 HydrophobicContact CB-CE2 3.5Å; K227-Y243 VanDerWaalsContact CB-CE2 3.5Å; K227-Y243 HydrophobicContact CB-CG 4.39Å; K227-Y243 HydrophobicContact CD-CD1 4.36Å; K227-Y243 HydrophobicContact CD-CD2 4.42Å; K227-Y243 HydrophobicContact CD-CE1 4.12Å; K227-Y243 HydrophobicContact CD-CE2 4.12Å; K227-Y243 HydrophobicContact CG-CD2 4.21Å; K227-Y243 HydrophobicContact CG-CE1 4.48Å; K227-Y243 HydrophobicContact CG-CE2 3.68Å; K227-I330 WeakPolarHBondContact CE-O 3.4Å; K227-I330 PolarHBondContact NZ-O 3.19Å; K227-V332 WeakPolarHBondContact CD-O 3.32Å; K227-D349 WeakPolarHBondContact CE-OD2 3.29Å; K227-D349 IonicContact NZ-OD2 3.32Å; K227-D349 PolarHBondContact NZ-OD2 2.92Å
228S96.4Very high94.7Very high17 Ų1746.6 Ų46.612%0.11924%0.243CC..EExtended strand (participates in β ladder)trans-146.1148.517956.10000110.7G241 V332 L335S228-G241 PolarHBondContact N-O 2.87Å; S228-G241 PolarHBondContact O-N 3.28Å; S228-V332 PolarHBondContact OG-O 2.82Å; S228-L335 VanDerWaalsContact OG-CD1 3.25Å; S228-L335 WeakPolarHBondContact OG-CD1 3.17Å; S228-L335 WeakPolarHBondContact OG-CG 3.31Å
229V97.9Very high94.8Very high7 Ų743.8 Ų43.84%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-137138175.9-177.80000107.5W196 V226 L238 A239W196-V229 HydrophobicContact CB-CG2 4.33Å; W196-V229 HydrophobicContact CD2-CB 4.13Å; W196-V229 HydrophobicContact CD2-CG2 3.68Å; W196-V229 HydrophobicContact CE3-CB 3.95Å; W196-V229 HydrophobicContact CE3-CG1 4.14Å; W196-V229 HydrophobicContact CE3-CG2 3.88Å; W196-V229 HydrophobicContact CG-CG2 3.87Å; W196-V229 HydrophobicContact CH2-CB 4.36Å; W196-V229 HydrophobicContact CZ3-CB 4.07Å; W196-V229 HydrophobicContact CZ3-CG1 4.22Å; W196-V229 HydrophobicContact CZ3-CG2 4.48Å; V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å; V229-L238 HydrophobicContact CG1-CD1 3.46Å; V229-L238 VanDerWaalsContact CG1-CD1 3.46Å; V229-L238 HydrophobicContact CG1-CG 4.19Å; V229-A239 WeakPolarHBondContact CA-O 3.43Å
230S97.8Very high95Very high22 Ų2242.1 Ų42.115%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-149132.3176.1-175.70000110.5A239S230-A239 PolarHBondContact N-O 3.2Å; S230-A239 PolarHBondContact O-N 3.19Å
231W98Very high95.3Very high9 Ų939.8 Ų39.83%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-75.3149.7167.1-70103.1000111.8E185 W186 P188 V192 A194 L206 L238 W255 F337E185-W231 PolarHBondContact O-NE1 2.71Å; E185-W231 VanDerWaalsContact O-NE1 3.14Å; W186-W231 VanDerWaalsContact O-CD1 3.31Å; P188-W231 VanDerWaalsContact CD-CB 3.45Å; P188-W231 HydrophobicContact CG-CB 3.95Å; V192-W231 HydrophobicContact CB-CH2 4.35Å; V192-W231 HydrophobicContact CG1-CH2 4.06Å; V192-W231 HydrophobicContact CG1-CZ2 4.22Å; A194-W231 HydrophobicContact CB-CZ2 3.66Å; L206-W231 HydrophobicContact CD2-CH2 3.9Å; L206-W231 HydrophobicContact CD2-CZ2 4.02Å; W231-L238 HydrophobicContact CD2-CD1 3.64Å; W231-L238 HydrophobicContact CE3-CB 3.97Å; W231-L238 HydrophobicContact CE3-CD1 3.97Å; W231-L238 HydrophobicContact CG-CD1 4Å; W231-L238 HydrophobicContact CH2-CB 4.33Å; W231-L238 HydrophobicContact CH2-CD1 4.45Å; W231-L238 HydrophobicContact CH2-CD2 4.19Å; W231-L238 HydrophobicContact CZ2-CD1 4.18Å; W231-L238 HydrophobicContact CZ2-CD2 4.24Å; W231-L238 HydrophobicContact CZ3-CB 3.87Å; W231-L238 HydrophobicContact CZ3-CD1 4.36Å; W231-W255 AromaticContact CH2-CH2 3.37Å; W231-W255 HydrophobicContact CH2-CH2 3.37Å; W231-W255 AromaticContact CH2-CZ3 3.36Å; W231-W255 HydrophobicContact CH2-CZ3 3.36Å; W231-W255 AromaticContact CZ3-CH2 3.65Å; W231-W255 HydrophobicContact CZ3-CH2 3.65Å; W231-W255 AromaticContact CZ3-CZ3 3.54Å; W231-W255 HydrophobicContact CZ3-CZ3 3.54Å; W231-F337 WeakPolarHBondContact O-CD2 3.25Å
232S97.6Very high95.7Very high0 Ų033.9 Ų33.90%017%0.173CC..  trans-73.3144162.674.30000110P188 S234 S235 Q236 F237P188-S232 WeakPolarHBondContact CG-O 3.43Å; S232-S234 PolarHBondContact O-N 2.87Å; S232-S234 VanDerWaalsContact O-N 3.09Å; S232-S234 PolarHBondContact OG-OG 3.39Å; S232-S235 WeakPolarHBondContact O-CA 3.32Å; S232-S235 PolarHBondContact O-N 3.18Å; S232-S235 PolarHBondContact OG-N 3.01Å; S232-Q236 PolarHBondContact OG-N 2.83Å; S232-F237 PolarHBondContact N-O 3.11Å; S232-F237 PolarHBondContact OG-N 2.85Å; S232-F237 PolarHBondContact OG-O 3.42Å
233P96.7Very high96.2Very high61 Ų6125.6 Ų25.640%0.39614%0.142SC..THydrogen-bonded Turntrans-53.8-30.9176.2-30.435.8000114S235 F337 S341P233-S235 PolarHBondContact O-N 2.79Å; P233-F337 VanDerWaalsContact CD-CB 3.49Å; P233-F337 HydrophobicContact CG-CB 4.36Å; P233-S341 WeakPolarHBondContact CD-OG 3.37Å
234S96.4Very high96.4Very high48 Ų4824.3 Ų24.334%0.33613%0.13SC..THydrogen-bonded Turntrans-72.6-7.6174.9640000114.7S232 Q236 S341S232-S234 PolarHBondContact O-N 2.87Å; S232-S234 VanDerWaalsContact O-N 3.09Å; S232-S234 PolarHBondContact OG-OG 3.39Å; S234-Q236 PolarHBondContact O-N 2.86Å; S234-Q236 VanDerWaalsContact O-N 3.12Å; S234-Q236 WeakPolarHBondContact OG-CB 3.29Å; S234-Q236 PolarHBondContact OG-N 3.19Å; S234-S341 WeakPolarHBondContact CB-OG 3.39Å; S234-S341 PolarHBondContact N-OG 2.89Å; S234-S341 PolarHBondContact OG-OG 2.94Å
235S96.4Very high96.6Very high5 Ų523.9 Ų23.94%0.03513%0.126CC..SBendtrans57.415.2-170.4-50.40000114.8P188 N189 S232 P233 N252P188-S235 WeakPolarHBondContact CB-OG 3.44Å; P188-S235 VanDerWaalsContact CD-OG 3.3Å; P188-S235 WeakPolarHBondContact CD-OG 3.19Å; N189-S235 PolarHBondContact N-OG 2.81Å; S232-S235 WeakPolarHBondContact O-CA 3.32Å; S232-S235 PolarHBondContact O-N 3.18Å; S232-S235 PolarHBondContact OG-N 3.01Å; P233-S235 PolarHBondContact O-N 2.79Å; S235-N252 WeakPolarHBondContact O-CB 3.22Å; S235-N252 PolarHBondContact O-ND2 2.89Å; S235-N252 VanDerWaalsContact O-ND2 3.08Å
236Q95.9Very high96.8Very high100 Ų10026.7 Ų26.747%0.46714%0.138SC..SBendtrans-84.1-27.6179.4-68.6177.9-0.200112.4S232 S234 N252S232-Q236 PolarHBondContact OG-N 2.83Å; S234-Q236 PolarHBondContact O-N 2.86Å; S234-Q236 VanDerWaalsContact O-N 3.12Å; S234-Q236 WeakPolarHBondContact OG-CB 3.29Å; S234-Q236 PolarHBondContact OG-N 3.19Å; Q236-N252 PolarHBondContact O-N 3.01Å
237F97.4Very high97Very high30 Ų3026.4 Ų26.413%0.13214%0.136CC..EExtended strand (participates in β ladder)trans-128.8143.1-174.9-53.8-60.5000111.7S232 I249 L250 I258 F337 M360 M363S232-F237 PolarHBondContact N-O 3.11Å; S232-F237 PolarHBondContact OG-N 2.85Å; S232-F237 PolarHBondContact OG-O 3.42Å; F237-I249 HydrophobicContact CB-CG2 3.85Å; F237-I249 HydrophobicContact CD1-CG2 3.85Å; F237-I249 HydrophobicContact CG-CG2 4.05Å; F237-L250 WeakPolarHBondContact CA-O 3.28Å; F237-I258 HydrophobicContact CD1-CD1 4.03Å; F237-I258 HydrophobicContact CE1-CD1 3.81Å; F237-F337 HydrophobicContact CB-CZ 4.19Å; F237-M360 HydrophobicContact CD2-CE 4.29Å; F237-M360 HydrophobicContact CG-CE 4.42Å; F237-M363 HydrophobicContact CD1-CE 4.4Å; F237-M363 HydrophobicContact CE1-CE 3.65Å; F237-M363 HydrophobicContact CE2-CE 4.46Å; F237-M363 HydrophobicContact CZ-CE 3.68Å
238L98.3Very high97.1Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-114.6117.9165.1-178.560.9000108.3A194 V204 L206 V229 W231 I240 I249 L250A194-L238 HydrophobicContact CB-CD2 4.16Å; V204-L238 HydrophobicContact CG1-CD2 4.2Å; L206-L238 HydrophobicContact CD2-CD2 3.91Å; V229-L238 HydrophobicContact CG1-CD1 3.46Å; V229-L238 VanDerWaalsContact CG1-CD1 3.46Å; V229-L238 HydrophobicContact CG1-CG 4.19Å; W231-L238 HydrophobicContact CD2-CD1 3.64Å; W231-L238 HydrophobicContact CE3-CB 3.97Å; W231-L238 HydrophobicContact CE3-CD1 3.97Å; W231-L238 HydrophobicContact CG-CD1 4Å; W231-L238 HydrophobicContact CH2-CB 4.33Å; W231-L238 HydrophobicContact CH2-CD1 4.45Å; W231-L238 HydrophobicContact CH2-CD2 4.19Å; W231-L238 HydrophobicContact CZ2-CD1 4.18Å; W231-L238 HydrophobicContact CZ2-CD2 4.24Å; W231-L238 HydrophobicContact CZ3-CB 3.87Å; W231-L238 HydrophobicContact CZ3-CD1 4.36Å; L238-I240 HydrophobicContact CG-CG1 4.46Å; L238-I249 WeakPolarHBondContact O-CA 3.26Å; L238-L250 HydrophobicContact CB-CB 4.34Å; L238-L250 HydrophobicContact CD2-CD1 4.48Å; L238-L250 PolarHBondContact N-O 3.1Å; L238-L250 VanDerWaalsContact N-O 3.09Å; L238-L250 PolarHBondContact O-N 3.21Å
239A98.6Very high97.2Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-92.3131.1174.300000110.3V229 S230 V247 I249 L335 F337 L344V229-A239 WeakPolarHBondContact CA-O 3.43Å; S230-A239 PolarHBondContact N-O 3.2Å; S230-A239 PolarHBondContact O-N 3.19Å; A239-V247 HydrophobicContact CB-CG1 4.38Å; A239-I249 HydrophobicContact CB-CD1 3.62Å; A239-L335 HydrophobicContact CB-CD1 4.12Å; A239-F337 HydrophobicContact CB-CE2 3.6Å; A239-F337 HydrophobicContact CB-CZ 3.76Å; A239-L344 HydrophobicContact CB-CD2 4.25Å
240I98.6Very high97.2Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-119.5121.1176.4-57164.9000107.9Y202 V204 Y217 V226 L238 V247 R248 L250Y202-I240 HydrophobicContact CE1-CG2 4.5Å; Y202-I240 WeakPolarHBondContact OH-CG2 3.2Å; V204-I240 HydrophobicContact CB-CD1 4.17Å; V204-I240 HydrophobicContact CG1-CD1 4.33Å; V204-I240 HydrophobicContact CG2-CD1 3.76Å; V204-I240 HydrophobicContact CG2-CG1 4.24Å; V204-I240 HydrophobicContact CG2-CG2 4.34Å; Y217-I240 HydrophobicContact CD1-CD1 3.56Å; Y217-I240 HydrophobicContact CE1-CD1 3.94Å; Y217-I240 HydrophobicContact CG-CD1 4.47Å; V226-I240 HydrophobicContact CG1-CG2 4.08Å; V226-I240 HydrophobicContact CG2-CG2 4.13Å; L238-I240 HydrophobicContact CG-CG1 4.46Å; I240-V247 CarbonylContact O-C 3.59Å; I240-V247 VanDerWaalsContact O-CA 3.3Å; I240-V247 WeakPolarHBondContact O-CA 3.45Å; I240-R248 PolarHBondContact N-O 2.52Å; I240-R248 PolarHBondContact O-N 2.78Å; I240-L250 HydrophobicContact CD1-CD1 3.68Å; I240-L250 HydrophobicContact CD1-CG 3.94Å
241G97.9Very high97.1Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-106.6124.6179.600000108.4K227 S228K227-G241 WeakPolarHBondContact CA-O 3.4Å; K227-G241 WeakPolarHBondContact CB-O 3.49Å; K227-G241 PolarHBondContact N-O 3.47Å; S228-G241 PolarHBondContact N-O 2.87Å; S228-G241 PolarHBondContact O-N 3.28Å
242S96.8Very high96.8Very high0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-114.4161.8-164.2-58.70000111.5Y202 D244 E245 K246 R248 G331 V332Y202-S242 WeakPolarHBondContact CE2-OG 3.09Å; Y202-S242 PolarHBondContact OH-OG 3.09Å; S242-D244 WeakPolarHBondContact CB-OD1 3.34Å; S242-D244 PolarHBondContact O-N 2.58Å; S242-E245 PolarHBondContact O-N 3.15Å; S242-K246 PolarHBondContact N-O 3.41Å; S242-K246 VanDerWaalsContact N-O 3.1Å; S242-R248 PolarHBondContact OG-NH1 3.02Å; S242-G331 WeakPolarHBondContact O-CA 3.06Å; S242-V332 PolarHBondContact O-N 3.37Å
243Y95.2Very high96.6Very high55 Ų5532.7 Ų32.722%0.21617%0.167CC..THydrogen-bonded Turntrans-71.1-18.3172.8-84.9-89000113.4C199 L224 G225 K227 E245 I330C199-Y243 HydrophobicContact CB-CD2 3.86Å; C199-Y243 HydrophobicContact CB-CE2 3.27Å; L224-Y243 HydrophobicContact CB-CD1 4.3Å; L224-Y243 HydrophobicContact CB-CD2 4.18Å; L224-Y243 HydrophobicContact CB-CG 3.71Å; L224-Y243 HydrophobicContact CD1-CD1 3.89Å; L224-Y243 HydrophobicContact CD1-CE1 4.49Å; L224-Y243 HydrophobicContact CD1-CG 4.17Å; G225-Y243 PolarHBondContact O-N 3.31Å; G225-Y243 VanDerWaalsContact O-N 3.1Å; K227-Y243 HydrophobicContact CB-CD2 3.65Å; K227-Y243 HydrophobicContact CB-CE2 3.5Å; K227-Y243 VanDerWaalsContact CB-CE2 3.5Å; K227-Y243 HydrophobicContact CB-CG 4.39Å; K227-Y243 HydrophobicContact CD-CD1 4.36Å; K227-Y243 HydrophobicContact CD-CD2 4.42Å; K227-Y243 HydrophobicContact CD-CE1 4.12Å; K227-Y243 HydrophobicContact CD-CE2 4.12Å; K227-Y243 HydrophobicContact CG-CD2 4.21Å; K227-Y243 HydrophobicContact CG-CE1 4.48Å; K227-Y243 HydrophobicContact CG-CE2 3.68Å; Y243-E245 PolarHBondContact O-N 2.85Å; Y243-I330 HydrophobicContact CD1-CD1 4.27Å; Y243-I330 HydrophobicContact CD1-CG1 4.05Å
244D94.2Very high96.4Very high44 Ų4433.3 Ų33.324%0.23517%0.17CC..THydrogen-bonded Turntrans-76.113.1170.179.7-19.7000114Y220 S242 K246 R248Y220-D244 HydrophobicContact CE1-CB 4.16Å; Y220-D244 VanDerWaalsContact CE1-OD2 3.32Å; Y220-D244 WeakPolarHBondContact CE1-OD2 3.44Å; S242-D244 WeakPolarHBondContact CB-OD1 3.34Å; S242-D244 PolarHBondContact O-N 2.58Å; D244-K246 PolarHBondContact O-N 2.74Å; D244-K246 WeakPolarHBondContact OD1-CB 3.17Å; D244-K246 PolarHBondContact OD1-N 2.92Å; D244-R248 IonicContact OD1-CZ 3.01Å; D244-R248 IonicContact OD1-NH1 3.73Å; D244-R248 PolarHBondContact OD1-NH1 2.79Å; D244-R248 IonicContact OD1-NH2 2.81Å; D244-R248 IonicContact OD2-CZ 3.54Å; D244-R248 IonicContact OD2-NH1 2.65Å; D244-R248 PolarHBondContact OD2-NH1 3.14Å; D244-R248 VanDerWaalsContact OD2-NH1 3.09Å; D244-R248 IonicContact OD2-NH2 3.68Å; D244-R248 PolarHBondContact OD2-NH2 2.89Å
245E95.1Very high96.4Very high54 Ų5432.1 Ų32.125%0.25216%0.158SC..SBendtrans67.910.8175.4-55.6-177.8-153.300115.2S242 Y243 H263 N348 N350S242-E245 PolarHBondContact O-N 3.15Å; Y243-E245 PolarHBondContact O-N 2.85Å; E245-H263 PolarHBondContact O-ND1 3.05Å; E245-N348 WeakPolarHBondContact CB-ND2 3.49Å; E245-N348 PolarHBondContact OE2-ND2 3.32Å; E245-N350 PolarHBondContact OE1-ND2 2.85Å; E245-N350 PolarHBondContact OE2-ND2 3.01Å; E245-N350 PolarHBondContact OE2-OD1 3.5Å
246K96.9Very high96.4Very high58 Ų5839.2 Ų39.225%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-103.4154.7178.9-60.1177.6-176-151.10111.3S242 D244 Q260 F261 E262S242-K246 PolarHBondContact N-O 3.41Å; S242-K246 VanDerWaalsContact N-O 3.1Å; D244-K246 PolarHBondContact O-N 2.74Å; D244-K246 WeakPolarHBondContact OD1-CB 3.17Å; D244-K246 PolarHBondContact OD1-N 2.92Å; K246-Q260 HydrophobicContact CB-CG 4.2Å; K246-Q260 HydrophobicContact CD-CG 4.18Å; K246-F261 WeakPolarHBondContact CA-O 3.32Å; K246-E262 HydrophobicContact CD-CG 4.42Å; K246-E262 WeakPolarHBondContact CE-OE1 3.46Å; K246-E262 HydrophobicContact CG-CG 4.26Å; K246-E262 IonicContact NZ-OE1 2.66Å; K246-E262 PolarHBondContact NZ-OE1 2.93Å
247V98.3Very high96.4Very high0 Ų039.1 Ų39.10%019%0.186CC..EExtended strand (participates in β ladder)trans-113.1129.8169.6-175.90000108.7A239 I240 I249 Q260 F261 V332 L335 L344 T346A239-V247 HydrophobicContact CB-CG1 4.38Å; I240-V247 CarbonylContact O-C 3.59Å; I240-V247 VanDerWaalsContact O-CA 3.3Å; I240-V247 WeakPolarHBondContact O-CA 3.45Å; V247-I249 HydrophobicContact CG1-CD1 3.91Å; V247-Q260 CarbonylContact O-C 3.54Å; V247-Q260 VanDerWaalsContact O-CA 3.28Å; V247-Q260 WeakPolarHBondContact O-CA 3.42Å; V247-F261 HydrophobicContact CB-CB 4.2Å; V247-F261 HydrophobicContact CB-CD2 4.39Å; V247-F261 HydrophobicContact CG1-CD2 4.44Å; V247-F261 PolarHBondContact N-O 3.18Å; V247-F261 PolarHBondContact O-N 2.98Å; V247-V332 HydrophobicContact CG2-CB 4.22Å; V247-V332 HydrophobicContact CG2-CG1 3.79Å; V247-V332 HydrophobicContact CG2-CG2 3.79Å; V247-L335 HydrophobicContact CB-CD2 4.44Å; V247-L335 HydrophobicContact CG1-CD2 3.72Å; V247-L335 HydrophobicContact CG2-CD2 3.82Å; V247-L344 HydrophobicContact CG1-CD2 4.14Å; V247-T346 HydrophobicContact CG2-CG2 4.08Å
248R98.3Very high96.4Very high13 Ų1341.5 Ų41.55%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-118.2129.6-179.4-60.3-175.5175.472.8-1.2109Y202 Y217 I240 S242 D244 K257 Q260Y202-R248 WeakPolarHBondContact OH-CD 3.45Å; Y217-R248 WeakPolarHBondContact OH-CD 3.2Å; I240-R248 PolarHBondContact N-O 2.52Å; I240-R248 PolarHBondContact O-N 2.78Å; S242-R248 PolarHBondContact OG-NH1 3.02Å; D244-R248 IonicContact OD1-CZ 3.01Å; D244-R248 IonicContact OD1-NH1 3.73Å; D244-R248 PolarHBondContact OD1-NH1 2.79Å; D244-R248 IonicContact OD1-NH2 2.81Å; D244-R248 IonicContact OD2-CZ 3.54Å; D244-R248 IonicContact OD2-NH1 2.65Å; D244-R248 PolarHBondContact OD2-NH1 3.14Å; D244-R248 VanDerWaalsContact OD2-NH1 3.09Å; D244-R248 IonicContact OD2-NH2 3.68Å; D244-R248 PolarHBondContact OD2-NH2 2.89Å; R248-K257 HydrophobicContact CB-CD 4.48Å; R248-K257 HydrophobicContact CB-CG 4.45Å; R248-K257 HydrophobicContact CG-CD 4.38Å; R248-Q260 HydrophobicContact CG-CG 4.39Å
249I98.5Very high96.4Very high0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-107.6121.5-177.6-51.6-60.5000108.7F237 L238 A239 V247 K257 I258 V259 F261 L344 M360F237-I249 HydrophobicContact CB-CG2 3.85Å; F237-I249 HydrophobicContact CD1-CG2 3.85Å; F237-I249 HydrophobicContact CG-CG2 4.05Å; L238-I249 WeakPolarHBondContact O-CA 3.26Å; A239-I249 HydrophobicContact CB-CD1 3.62Å; V247-I249 HydrophobicContact CG1-CD1 3.91Å; I249-K257 CarbonylContact O-C 3.6Å; I249-K257 WeakPolarHBondContact O-CA 3.4Å; I249-I258 PolarHBondContact O-N 3.02Å; I249-V259 HydrophobicContact CB-CG1 3.79Å; I249-V259 HydrophobicContact CG1-CG1 3.66Å; I249-V259 PolarHBondContact N-O 3.26Å; I249-F261 HydrophobicContact CD1-CD2 4.49Å; I249-F261 HydrophobicContact CD1-CE2 4.18Å; I249-F261 HydrophobicContact CG1-CD2 4.28Å; I249-F261 HydrophobicContact CG1-CE2 3.82Å; I249-F261 HydrophobicContact CG1-CZ 4.47Å; I249-L344 HydrophobicContact CD1-CD2 3.81Å; I249-M360 HydrophobicContact CD1-CE 4.22Å; I249-M360 HydrophobicContact CG1-CE 4.06Å; I249-M360 HydrophobicContact CG2-CE 3.92Å
250L98.1Very high96.3Very high0 Ų045.5 Ų45.50%022%0.22CC..EExtended strand (participates in β ladder)trans-98.8146.9174-49.4-172.8000110.9Y217 F237 L238 I240 K256 K257Y217-L250 HydrophobicContact CD1-CD1 4.02Å; Y217-L250 HydrophobicContact CD1-CD2 4.15Å; Y217-L250 HydrophobicContact CD2-CD1 4.13Å; Y217-L250 HydrophobicContact CD2-CD2 3.71Å; Y217-L250 HydrophobicContact CE1-CD2 4.08Å; Y217-L250 HydrophobicContact CE2-CD2 3.68Å; Y217-L250 HydrophobicContact CG-CD1 3.7Å; Y217-L250 HydrophobicContact CG-CD2 3.97Å; Y217-L250 HydrophobicContact CG-CG 4.47Å; F237-L250 WeakPolarHBondContact CA-O 3.28Å; L238-L250 HydrophobicContact CB-CB 4.34Å; L238-L250 HydrophobicContact CD2-CD1 4.48Å; L238-L250 PolarHBondContact N-O 3.1Å; L238-L250 VanDerWaalsContact N-O 3.09Å; L238-L250 PolarHBondContact O-N 3.21Å; I240-L250 HydrophobicContact CD1-CD1 3.68Å; I240-L250 HydrophobicContact CD1-CG 3.94Å; L250-K256 WeakPolarHBondContact CA-O 3.17Å; L250-K257 HydrophobicContact CD2-CB 3.98Å
251N95.3Very high96.3Very high37 Ų3745.8 Ų45.820%0.19822%0.221CC..EExtended strand (participates in β ladder)trans-78.9141.3170.3-173.4-18.1000110.9I253 W255 K256 I258N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.85Å; N251-I253 PolarHBondContact OD1-N 2.97Å; N251-W255 WeakPolarHBondContact O-CA 3.43Å; N251-W255 PolarHBondContact O-N 2.95Å; N251-K256 PolarHBondContact N-O 2.91Å; N251-K256 VanDerWaalsContact N-O 3.16Å; N251-I258 HydrophobicContact CB-CD1 3.61Å; N251-I258 HydrophobicContact CB-CG1 3.83Å
252N93Very high96.2Very high49 Ų4950.3 Ų50.326%0.26224%0.242SC..THydrogen-bonded Turntrans-68.8-18171.874.2-29.8000116.3S235 Q236 W255S235-N252 WeakPolarHBondContact O-CB 3.22Å; S235-N252 PolarHBondContact O-ND2 2.89Å; S235-N252 VanDerWaalsContact O-ND2 3.08Å; Q236-N252 PolarHBondContact O-N 3.01Å; N252-W255 HydrophobicContact CB-CH2 3.93Å; N252-W255 HydrophobicContact CB-CZ2 4.44Å; N252-W255 HydrophobicContact CB-CZ3 4.29Å; N252-W255 VanDerWaalsContact O-CE2 3.28Å; N252-W255 WeakPolarHBondContact O-CZ2 2.95Å
253I92.3Very high96.2Very high133 Ų13350.9 Ų50.968%0.68225%0.245SC*.THydrogen-bonded Turntrans-85.8-51.9179.5-55.9176.2000111N251N251-I253 VanDerWaalsContact C-N 3.31Å; N251-I253 PolarHBondContact O-N 2.85Å; N251-I253 PolarHBondContact OD1-N 2.97Å
254T93.7Very high96.1Very high73 Ų7350.9 Ų50.945%0.44825%0.251SS..THydrogen-bonded Turntrans-104.3-13.4-171.761.60000113.7K256T254-K256 PolarHBondContact O-N 2.91Å; T254-K256 PolarHBondContact OG1-N 2.95Å
255W95.4Very high96.1Very high23 Ų2350.7 Ų50.79%0.08726%0.256CS..  trans56.616.3-173.2-53.1114.1000114.5V192 L206 S215 W231 N251 N252V192-W255 HydrophobicContact CB-CH2 4.28Å; V192-W255 HydrophobicContact CB-CZ2 4.28Å; V192-W255 HydrophobicContact CG1-CH2 3.9Å; V192-W255 HydrophobicContact CG1-CZ2 3.86Å; V192-W255 HydrophobicContact CG2-CH2 4.1Å; V192-W255 HydrophobicContact CG2-CZ2 3.73Å; L206-W255 HydrophobicContact CD1-CB 3.7Å; L206-W255 HydrophobicContact CD1-CD2 3.34Å; L206-W255 HydrophobicContact CD1-CE3 3.26Å; L206-W255 HydrophobicContact CD1-CG 3.53Å; L206-W255 HydrophobicContact CD1-CZ3 4.03Å; L206-W255 HydrophobicContact CD2-CE3 4.04Å; L206-W255 HydrophobicContact CD2-CH2 4.34Å; L206-W255 HydrophobicContact CD2-CZ3 3.92Å; L206-W255 HydrophobicContact CG-CD2 4.37Å; L206-W255 HydrophobicContact CG-CE3 4.24Å; S215-W255 WeakPolarHBondContact OG-CB 3.39Å; W231-W255 AromaticContact CH2-CH2 3.37Å; W231-W255 HydrophobicContact CH2-CH2 3.37Å; W231-W255 AromaticContact CH2-CZ3 3.36Å; W231-W255 HydrophobicContact CH2-CZ3 3.36Å; W231-W255 AromaticContact CZ3-CH2 3.65Å; W231-W255 HydrophobicContact CZ3-CH2 3.65Å; W231-W255 AromaticContact CZ3-CZ3 3.54Å; W231-W255 HydrophobicContact CZ3-CZ3 3.54Å; N251-W255 WeakPolarHBondContact O-CA 3.43Å; N251-W255 PolarHBondContact O-N 2.95Å; N252-W255 HydrophobicContact CB-CH2 3.93Å; N252-W255 HydrophobicContact CB-CZ2 4.44Å; N252-W255 HydrophobicContact CB-CZ3 4.29Å; N252-W255 VanDerWaalsContact O-CE2 3.28Å; N252-W255 WeakPolarHBondContact O-CZ2 2.95Å
256K95.7Very high96.1Very high154 Ų15450.7 Ų50.767%0.6726%0.26SS*.  trans-88.6149.4174.3-65.7-173179-177.80110.3L250 N251 T254 I258L250-K256 WeakPolarHBondContact CA-O 3.17Å; N251-K256 PolarHBondContact N-O 2.91Å; N251-K256 VanDerWaalsContact N-O 3.16Å; T254-K256 PolarHBondContact O-N 2.91Å; T254-K256 PolarHBondContact OG1-N 2.95Å; K256-I258 PolarHBondContact O-N 3.15Å
257K97.3Very high95.9Very high98 Ų9848 Ų4843%0.42625%0.248SC..EExtended strand (participates in β ladder)trans-61.7122.3172.4-175.2-168.773.1175.90110Y217 R248 I249 L250 Q260Y217-K257 HydrophobicContact CE2-CB 4.08Å; R248-K257 HydrophobicContact CB-CD 4.48Å; R248-K257 HydrophobicContact CB-CG 4.45Å; R248-K257 HydrophobicContact CG-CD 4.38Å; I249-K257 CarbonylContact O-C 3.6Å; I249-K257 WeakPolarHBondContact O-CA 3.4Å; L250-K257 HydrophobicContact CD2-CB 3.98Å; K257-Q260 HydrophobicContact CD-CB 4.44Å
258I97.1Very high95.3Very high81 Ų8153.1 Ų53.142%0.41528%0.276SS..EExtended strand (participates in β ladder)trans-90.3-48.5174.8-47177.5000110.1F237 I249 N251 K256F237-I258 HydrophobicContact CD1-CD1 4.03Å; F237-I258 HydrophobicContact CE1-CD1 3.81Å; I249-I258 PolarHBondContact O-N 3.02Å; N251-I258 HydrophobicContact CB-CD1 3.61Å; N251-I258 HydrophobicContact CB-CG1 3.83Å; K256-I258 PolarHBondContact O-N 3.15Å
259V97.7Very high93.6Very high25 Ų2559.6 Ų59.615%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-142.9157-176.668.10000111.1I249 F261 M363I249-V259 HydrophobicContact CB-CG1 3.79Å; I249-V259 HydrophobicContact CG1-CG1 3.66Å; I249-V259 PolarHBondContact N-O 3.26Å; V259-F261 HydrophobicContact CB-CE1 4.41Å; V259-F261 HydrophobicContact CG1-CE1 3.84Å; V259-F261 HydrophobicContact CG1-CE2 4.18Å; V259-F261 HydrophobicContact CG1-CZ 3.63Å; V259-F261 HydrophobicContact CG2-CD1 4.05Å; V259-F261 HydrophobicContact CG2-CE1 3.64Å; V259-F261 HydrophobicContact CG2-CZ 4.31Å; V259-M363 HydrophobicContact CB-CB 4.32Å; V259-M363 HydrophobicContact CB-SD 4.46Å; V259-M363 HydrophobicContact CG1-CB 4.28Å; V259-M363 HydrophobicContact CG1-CG 4.39Å; V259-M363 HydrophobicContact CG1-SD 3.63Å; V259-M363 HydrophobicContact CG2-CB 4.22Å
260Q97.5Very high92.3Very high58 Ų5862 Ų6227%0.27133%0.326SS..EExtended strand (participates in β ladder)trans-125.4123.8173-179.8177.5-67.500108.4K246 V247 R248 K257 E262K246-Q260 HydrophobicContact CB-CG 4.2Å; K246-Q260 HydrophobicContact CD-CG 4.18Å; V247-Q260 CarbonylContact O-C 3.54Å; V247-Q260 VanDerWaalsContact O-CA 3.28Å; V247-Q260 WeakPolarHBondContact O-CA 3.42Å; R248-Q260 HydrophobicContact CG-CG 4.39Å; K257-Q260 HydrophobicContact CD-CB 4.44Å; Q260-E262 HydrophobicContact CG-CG 4.49Å; Q260-E262 PolarHBondContact NE2-OE1 2.98Å
261F97.7Very high91.7Very high7 Ų772.1 Ų72.13%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-99.1138.6172.4-55.3-45.5000110K246 V247 I249 V259 L344 W358 M360K246-F261 WeakPolarHBondContact CA-O 3.32Å; V247-F261 HydrophobicContact CB-CB 4.2Å; V247-F261 HydrophobicContact CB-CD2 4.39Å; V247-F261 HydrophobicContact CG1-CD2 4.44Å; V247-F261 PolarHBondContact N-O 3.18Å; V247-F261 PolarHBondContact O-N 2.98Å; I249-F261 HydrophobicContact CD1-CD2 4.49Å; I249-F261 HydrophobicContact CD1-CE2 4.18Å; I249-F261 HydrophobicContact CG1-CD2 4.28Å; I249-F261 HydrophobicContact CG1-CE2 3.82Å; I249-F261 HydrophobicContact CG1-CZ 4.47Å; V259-F261 HydrophobicContact CB-CE1 4.41Å; V259-F261 HydrophobicContact CG1-CE1 3.84Å; V259-F261 HydrophobicContact CG1-CE2 4.18Å; V259-F261 HydrophobicContact CG1-CZ 3.63Å; V259-F261 HydrophobicContact CG2-CD1 4.05Å; V259-F261 HydrophobicContact CG2-CE1 3.64Å; V259-F261 HydrophobicContact CG2-CZ 4.31Å; F261-L344 HydrophobicContact CD2-CD2 4.39Å; F261-L344 HydrophobicContact CE2-CD2 4.27Å; F261-W358 HydrophobicContact CB-CD2 3.86Å; F261-W358 HydrophobicContact CB-CE3 3.77Å; F261-W358 HydrophobicContact CB-CH2 3.84Å; F261-W358 HydrophobicContact CB-CZ2 3.87Å; F261-W358 HydrophobicContact CB-CZ3 3.74Å; F261-W358 HydrophobicContact CD1-CD2 4.03Å; F261-W358 AromaticContact CD1-CE3 3.44Å; F261-W358 HydrophobicContact CD1-CE3 3.44Å; F261-W358 VanDerWaalsContact CD1-CE3 3.44Å; F261-W358 AromaticContact CD1-CZ3 3.85Å; F261-W358 HydrophobicContact CD1-CZ3 3.85Å; F261-W358 HydrophobicContact CD2-CB 4.19Å; F261-W358 AromaticContact CD2-CD2 3.77Å; F261-W358 HydrophobicContact CD2-CD2 3.77Å; F261-W358 HydrophobicContact CD2-CE3 4.07Å; F261-W358 AromaticContact CD2-CG 3.76Å; F261-W358 HydrophobicContact CD2-CG 3.76Å; F261-W358 AromaticContact CE1-CE3 3.98Å; F261-W358 HydrophobicContact CE1-CE3 3.98Å; F261-W358 HydrophobicContact CE2-CB 3.84Å; F261-W358 HydrophobicContact CE2-CD2 4.29Å; F261-W358 AromaticContact CE2-CG 3.95Å; F261-W358 HydrophobicContact CE2-CG 3.95Å; F261-W358 AromaticContact CG-CD2 3.62Å; F261-W358 HydrophobicContact CG-CD2 3.62Å; F261-W358 AromaticContact CG-CE3 3.49Å; F261-W358 HydrophobicContact CG-CE3 3.49Å; F261-W358 VanDerWaalsContact CG-CE3 3.49Å; F261-W358 HydrophobicContact CG-CG 4.13Å; F261-W358 HydrophobicContact CG-CH2 4.47Å; F261-W358 AromaticContact CG-CZ3 3.93Å; F261-W358 HydrophobicContact CG-CZ3 3.93Å; F261-W358 HydrophobicContact CZ-CB 4.08Å; F261-W358 HydrophobicContact CZ-CE3 4.49Å; F261-W358 HydrophobicContact CZ-CG 4.46Å; F261-M360 HydrophobicContact CE2-CE 4.42Å; F261-M360 HydrophobicContact CE2-SD 3.92Å; F261-M360 HydrophobicContact CZ-SD 4.23Å
262E96.1Very high91.5Very high94 Ų9470.7 Ų70.744%0.43936%0.363SS..EExtended strand (participates in β ladder)trans-122.6148.6179.9-51.9-164.4159.100108.4K246 Q260 P264 W358K246-E262 HydrophobicContact CD-CG 4.42Å; K246-E262 WeakPolarHBondContact CE-OE1 3.46Å; K246-E262 HydrophobicContact CG-CG 4.26Å; K246-E262 IonicContact NZ-OE1 2.66Å; K246-E262 PolarHBondContact NZ-OE1 2.93Å; Q260-E262 HydrophobicContact CG-CG 4.49Å; Q260-E262 PolarHBondContact NE2-OE1 2.98Å; E262-P264 VanDerWaalsContact C-CD 3.43Å; E262-P264 WeakPolarHBondContact O-CD 3.28Å; E262-W358 WeakPolarHBondContact O-CH2 3.3Å
263H96Very high91.5Very high13 Ų1371.5 Ų71.56%0.0637%0.367CS..  trans-102.483.3178.8-56.790.9000108.4E245 T346 N348 M351 W356E245-H263 PolarHBondContact O-ND1 3.05Å; H263-T346 PolarHBondContact NE2-OG1 3.29Å; H263-N348 HydrophobicContact CB-CB 4.44Å; H263-M351 HydrophobicContact CB-CE 4.06Å; H263-M351 HydrophobicContact CB-SD 4Å; H263-M351 WeakPolarHBondContact O-CE 3.25Å; H263-W356 HydrophobicContact CB-CZ2 4.11Å; H263-W356 AromaticContact CD2-CD1 3.45Å; H263-W356 VanDerWaalsContact CD2-CD1 3.45Å; H263-W356 AromaticContact CD2-CD2 3.67Å; H263-W356 AromaticContact CD2-CE2 3.8Å; H263-W356 AromaticContact CD2-CG 3.49Å; H263-W356 VanDerWaalsContact CD2-CG 3.49Å; H263-W356 AromaticContact CD2-NE1 3.62Å
264P94.8Very high91.6Very high54 Ų5465.2 Ų65.235%0.35134%0.335SS..  trans-67.8142.1-177.728.6-37.3000111.5E262 T266 W356E262-P264 VanDerWaalsContact C-CD 3.43Å; E262-P264 WeakPolarHBondContact O-CD 3.28Å; P264-T266 PolarHBondContact O-N 2.82Å; P264-W356 HydrophobicContact CG-CH2 3.88Å; P264-W356 HydrophobicContact CG-CZ3 4.05Å; P264-W356 VanDerWaalsContact O-CH2 3.27Å; P264-W356 WeakPolarHBondContact O-CH2 3.47Å
265A93.6Very high91.7Very high41 Ų4163 Ų6334%0.33932%0.318SS..SBendtrans-67.2-28.5174.200000112.4Q315 I316 V318A265-Q315 PolarHBondContact O-OE1 2.87Å; A265-I316 PolarHBondContact O-N 2.8Å; A265-V318 HydrophobicContact CB-CG2 3.6Å
266T93.8Very high91.6Very high53 Ų5365.2 Ų65.233%0.32533%0.329SS..EExtended strand (participates in β ladder)trans-120127.6178.7-500000109.6P264 D268 P313 V314 Q315P264-T266 PolarHBondContact O-N 2.82Å; T266-D268 HydrophobicContact CG2-CB 4.49Å; T266-P313 HydrophobicContact CG2-CB 4.39Å; T266-V314 WeakPolarHBondContact CA-O 3.47Å; T266-Q315 PolarHBondContact OG1-NE2 2.91Å; T266-Q315 PolarHBondContact OG1-OE1 2.99Å
267I92.8Very high91.4Very high1 Ų158 Ų581%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-106.7108.5174.5-54.3172.6000106.7T270 V274 L312 P313 V314 I316 W356 V368I267-T270 HydrophobicContact CG2-CG2 4.35Å; I267-T270 VanDerWaalsContact CG2-OG1 3.25Å; I267-T270 WeakPolarHBondContact CG2-OG1 3.41Å; I267-V274 HydrophobicContact CD1-CG2 3.73Å; I267-V274 HydrophobicContact CG2-CG2 4.25Å; I267-L312 HydrophobicContact CB-CD2 4.27Å; I267-L312 HydrophobicContact CG2-CD2 3.74Å; I267-P313 CarbonylContact O-C 3.59Å; I267-P313 WeakPolarHBondContact O-CA 3.24Å; I267-V314 PolarHBondContact N-O 2.82Å; I267-V314 PolarHBondContact O-N 2.93Å; I267-I316 HydrophobicContact CD1-CD1 4.06Å; I267-I316 HydrophobicContact CD1-CG1 3.84Å; I267-I316 HydrophobicContact CG1-CG1 4.3Å; I267-W356 HydrophobicContact CD1-CH2 3.9Å; I267-W356 HydrophobicContact CD1-CZ3 4.13Å; I267-W356 HydrophobicContact CG1-CH2 4.11Å; I267-W356 HydrophobicContact CG1-CZ3 4.45Å; I267-V368 HydrophobicContact CD1-CB 4.1Å; I267-V368 HydrophobicContact CD1-CG1 4.27Å; I267-V368 HydrophobicContact CD1-CG2 3.68Å
268D85.9Confident91Very high109 Ų10955.3 Ų55.358%0.58329%0.289SS*.  trans-118-41.2-171.659-9.8000113.8T266 P313T266-D268 HydrophobicContact CG2-CB 4.49Å; D268-P313 HydrophobicContact CB-CB 4Å
269N64.3Low90.2Very high148 Ų14855.2 Ų55.279%0.79129%0.289SS*.SBendtrans-141.653.1-170.9-165.615.5000112.1
270T71Confident88.7Confident50 Ų5061.5 Ų61.531%0.30731%0.31SS..  trans-112.4150.6172.863.80000109.3I267 A272 L312I267-T270 HydrophobicContact CG2-CG2 4.35Å; I267-T270 VanDerWaalsContact CG2-OG1 3.25Å; I267-T270 WeakPolarHBondContact CG2-OG1 3.41Å; T270-A272 PolarHBondContact O-N 3.13Å; T270-A272 VanDerWaalsContact O-N 3.11Å; T270-A272 VanDerWaalsContact OG1-CB 3.28Å; T270-A272 WeakPolarHBondContact OG1-CB 3.41Å; T270-A272 PolarHBondContact OG1-N 2.96Å; T270-L312 WeakPolarHBondContact O-CD1 3.45Å
271K85.2Confident86.7Confident214 Ų21469 Ų6993%0.9334%0.336SS*.SBendtrans-69.35.5165.1-67.3-177.5178.8178.40112.1
272A90.2Very high84.5Confident7 Ų772.7 Ų72.76%0.05836%0.361CS..  trans-77.5146.6-175.400000111.1T270 L365 D366T270-A272 PolarHBondContact O-N 3.13Å; T270-A272 VanDerWaalsContact O-N 3.11Å; T270-A272 VanDerWaalsContact OG1-CB 3.28Å; T270-A272 WeakPolarHBondContact OG1-CB 3.41Å; T270-A272 PolarHBondContact OG1-N 2.96Å; A272-L365 HydrophobicContact CB-CB 4.14Å; A272-L365 HydrophobicContact CB-CD2 3.79Å; A272-L365 HydrophobicContact CB-CG 3.6Å; A272-D366 WeakPolarHBondContact CA-O 3.2Å
273I93.2Very high82.1Confident66 Ų6672.3 Ų72.334%0.33837%0.374SS..EExtended strand (participates in β ladder)trans-95.9130.8177.3-55.3174000108.3Y275 I309 D366 T367 V368I273-Y275 HydrophobicContact CB-CE2 4.03Å; I273-Y275 HydrophobicContact CG2-CD2 3.93Å; I273-Y275 HydrophobicContact CG2-CE1 4.27Å; I273-Y275 HydrophobicContact CG2-CE2 3.46Å; I273-Y275 VanDerWaalsContact CG2-CE2 3.46Å; I273-I309 HydrophobicContact CG2-CD1 4.38Å; I273-I309 HydrophobicContact CG2-CG1 4.2Å; I273-I309 HydrophobicContact CG2-CG2 3.94Å; I273-D366 PolarHBondContact N-O 2.91Å; I273-T367 CarbonylContact O-C 3.18Å; I273-T367 VanDerWaalsContact O-CA 3.3Å; I273-T367 WeakPolarHBondContact O-CA 3.39Å; I273-V368 PolarHBondContact O-N 3.35Å
274V95.2Very high79.6Confident1 Ų178.2 Ų78.21%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-105.7111.7174.4-1730000108.9I267 I309 C310 L312 V314 I316 V368I267-V274 HydrophobicContact CD1-CG2 3.73Å; I267-V274 HydrophobicContact CG2-CG2 4.25Å; V274-I309 WeakPolarHBondContact O-CA 3.48Å; V274-C310 HydrophobicContact CB-CB 4.43Å; V274-C310 PolarHBondContact O-N 2.66Å; V274-L312 HydrophobicContact CG2-CD2 3.99Å; V274-V314 HydrophobicContact CB-CG2 4.31Å; V274-V314 HydrophobicContact CG1-CB 4.44Å; V274-V314 HydrophobicContact CG1-CG1 4.06Å; V274-V314 HydrophobicContact CG1-CG2 4.42Å; V274-V314 HydrophobicContact CG2-CB 4.48Å; V274-V314 HydrophobicContact CG2-CG2 4.35Å; V274-I316 HydrophobicContact CG1-CD1 4.42Å; V274-V368 WeakPolarHBondContact CA-O 3.42Å; V274-V368 HydrophobicContact CG1-CB 4.41Å; V274-V368 HydrophobicContact CG2-CB 4.39Å
275Y94.8Very high77Confident26 Ų2681.5 Ų81.510%0.10243%0.429CS..EExtended strand (participates in β ladder)trans-95.7119.4172.4-65.6-87000109.2I273 I309 T367 V368 L369 E370 C404I273-Y275 HydrophobicContact CB-CE2 4.03Å; I273-Y275 HydrophobicContact CG2-CD2 3.93Å; I273-Y275 HydrophobicContact CG2-CE1 4.27Å; I273-Y275 HydrophobicContact CG2-CE2 3.46Å; I273-Y275 VanDerWaalsContact CG2-CE2 3.46Å; Y275-I309 HydrophobicContact CD1-CG1 3.87Å; Y275-I309 HydrophobicContact CE1-CD1 4.02Å; Y275-I309 HydrophobicContact CE1-CG1 3.63Å; Y275-T367 HydrophobicContact CD2-CG2 3.46Å; Y275-T367 VanDerWaalsContact CD2-CG2 3.46Å; Y275-T367 HydrophobicContact CE2-CG2 3.68Å; Y275-V368 PolarHBondContact N-O 3.5Å; Y275-L369 HydrophobicContact CD2-CD2 3.97Å; Y275-L369 HydrophobicContact CG-CD2 4.34Å; Y275-E370 PolarHBondContact O-N 2.82Å; Y275-C404 HydrophobicContact CD1-CB 4Å; Y275-C404 WeakPolarHBondContact CD2-SG 3.5Å; Y275-C404 HydrophobicContact CE1-CB 4.33Å; Y275-C404 HydrophobicContact CG-CB 4.16Å
276K93.7Very high74.5Confident69 Ų6984.7 Ų84.730%0.345%0.449SS..EExtended strand (participates in β ladder)trans-108.2128.2176.9-174.6178.8-168.1107.70110.4V278 Y307 E308 C310 E370K276-V278 HydrophobicContact CG-CG2 4.48Å; K276-V278 PolarHBondContact O-N 3Å; K276-Y307 WeakPolarHBondContact O-CA 3.29Å; K276-E308 PolarHBondContact N-O 3.23Å; K276-E308 PolarHBondContact O-N 3.01Å; K276-C310 WeakPolarHBondContact CB-SG 3.29Å; K276-E370 WeakPolarHBondContact CA-O 3.24Å; K276-E370 HydrophobicContact CB-CB 4.48Å; K276-E370 WeakPolarHBondContact CD-OE2 3.44Å; K276-E370 HydrophobicContact CG-CB 4.41Å; K276-E370 WeakPolarHBondContact CG-OE2 3.32Å; K276-E370 IonicContact NZ-OE1 2.8Å; K276-E370 PolarHBondContact NZ-OE1 3.25Å; K276-E370 IonicContact NZ-OE2 3.18Å; K276-E370 PolarHBondContact NZ-OE2 3.4Å
277E92.6Very high71.6Confident4 Ų489.1 Ų89.12%0.01947%0.471CS..EExtended strand (participates in β ladder)trans-67.4122.3168.9-174.8-171.8-157.900109.6S305 Y307 E370 T372 Y397E277-S305 VanDerWaalsContact OE1-CB 3.27Å; E277-S305 WeakPolarHBondContact OE1-CB 3.27Å; E277-S305 PolarHBondContact OE1-OG 3.41Å; E277-Y307 HydrophobicContact CB-CE1 4.26Å; E277-E370 PolarHBondContact N-O 3.01Å; E277-T372 HydrophobicContact CB-CG2 4.27Å; E277-T372 HydrophobicContact CG-CG2 4.08Å; E277-T372 WeakPolarHBondContact OE2-CB 3.27Å; E277-T372 WeakPolarHBondContact OE2-CG2 3.19Å; E277-T372 PolarHBondContact OE2-N 3.14Å; E277-T372 PolarHBondContact OE2-OG1 2.71Å; E277-Y397 HydrophobicContact CG-CE1 4.15Å; E277-Y397 VanDerWaalsContact OE1-CE1 3.23Å; E277-Y397 WeakPolarHBondContact OE1-CE1 3.5Å; E277-Y397 VanDerWaalsContact OE1-CZ 3.26Å; E277-Y397 PolarHBondContact OE1-OH 3.35Å; E277-Y397 PolarHBondContact OE2-OH 2.76Å
278V87.2Confident69.2Low41 Ų4197.5 Ų97.525%0.24851%0.51CS..EExtended strand (participates in β ladder)trans-119.4123.4173.7-175.40000108.7K276 R280 S305 K306 E308K276-V278 HydrophobicContact CG-CG2 4.48Å; K276-V278 PolarHBondContact O-N 3Å; V278-R280 PolarHBondContact O-N 2.74Å; V278-S305 WeakPolarHBondContact O-CA 3.3Å; V278-S305 WeakPolarHBondContact O-CB 3.49Å; V278-K306 PolarHBondContact N-O 3.28Å; V278-K306 PolarHBondContact O-N 2.85Å; V278-K306 VanDerWaalsContact O-N 3.08Å; V278-E308 HydrophobicContact CB-CG 4.46Å; V278-E308 HydrophobicContact CG2-CB 4.16Å; V278-E308 HydrophobicContact CG2-CG 4.07Å
279D80.6Confident66.9Low78 Ų78100.1 Ų100.142%0.41752%0.523SS..EExtended strand (participates in β ladder)trans-79.5111.7169.6-79.3-39.4000109.3T303 S305 K395D279-T303 HydrophobicContact CB-CG2 3.71Å; D279-S305 WeakPolarHBondContact OD1-CB 3.3Å; D279-K395 IonicContact OD1-NZ 3.05Å; D279-K395 PolarHBondContact OD1-NZ 2.95Å
280R66.3Low65.3Low157 Ų15798.5 Ų98.559%0.59252%0.523SS*.EExtended strand (participates in β ladder)trans-95.3119.7168.5-72.9-170.4-179-146.40.6109V278 Q304 E308V278-R280 PolarHBondContact O-N 2.74Å; R280-Q304 PolarHBondContact N-O 3.35Å; R280-Q304 VanDerWaalsContact N-O 3.14Å; R280-E308 IonicContact CZ-OE1 3.4Å; R280-E308 IonicContact NE-OE1 3.98Å; R280-E308 PolarHBondContact NE-OE1 2.89Å; R280-E308 IonicContact NH2-OE1 2.74Å; R280-E308 PolarHBondContact NH2-OE1 2.81Å
281R55.4Low63.8Low216 Ų216104.2 Ų104.282%0.81555%0.551SS**PPolyproline II helixtrans-76.9132.6161.3-63.5-178.7-174.3171.72.2107.2A283R281-A283 PolarHBondContact O-N 2.91Å
282P52Low61.6Low85 Ų85102 Ų10255%0.55254%0.544SS*.PPolyproline II helixtrans-57.5128171.222.4-29.2000108.3V284P282-V284 PolarHBondContact O-N 2.69Å
283A45Very low59Low86 Ų86108.6 Ų108.671%0.71158%0.578SS**PPolyproline II helixtrans-60.6125.8174.300000107.9R281 V285R281-A283 PolarHBondContact O-N 2.91Å; A283-V285 PolarHBondContact O-N 3.32Å
284V44.3Very low56.4Low136 Ų136111.3 Ų111.382%0.82459%0.592SS**  trans-65104.2167.81790000105.7P282 S286P282-V284 PolarHBondContact O-N 2.69Å; V284-S286 VanDerWaalsContact C-N 3.34Å; V284-S286 PolarHBondContact O-N 2.47Å
285V39.3Very low53.4Low124 Ų124117.9 Ų117.975%0.75263%0.632SS**  trans-68100168.4179.30000105.8A283 D287A283-V285 PolarHBondContact O-N 3.32Å; V285-D287 VanDerWaalsContact C-N 3.28Å; V285-D287 HydrophobicContact CG1-CB 4.37Å; V285-D287 PolarHBondContact O-N 2.69Å; V285-D287 VanDerWaalsContact O-N 3.16Å
286S40.8Very low50.6Low108 Ų108124.4 Ų124.476%0.75567%0.665SS**  trans-77.585.4164.5600000107.5V284V284-S286 VanDerWaalsContact C-N 3.34Å; V284-S286 PolarHBondContact O-N 2.47Å
287D34.3Very low47.7Very low146 Ų146123.6 Ų123.678%0.78168%0.677SS**  trans-135.8131.3155.3-103.9-19.3000108.5V285V285-D287 VanDerWaalsContact C-N 3.28Å; V285-D287 HydrophobicContact CG1-CB 4.37Å; V285-D287 PolarHBondContact O-N 2.69Å; V285-D287 VanDerWaalsContact O-N 3.16Å
288E42.1Very low45.2Very low177 Ų177128.9 Ų128.983%0.82771%0.714SS**  trans-54.5133.5-178.8-59.9179.1141.800110.9
289L37Very low42.9Very low163 Ų163132.5 Ų132.585%0.85374%0.737SS**  154.1133.1126.8-80151.2000114.4
290S31.3Very low40.6Very low115 Ų115134.5 Ų134.580%0.80475%0.747SS**  trans80.491.715967.50000119.7H292S290-H292 PolarHBondContact O-N 2.74Å; S290-H292 VanDerWaalsContact O-N 3.16Å
291L40.5Very low39.2Very low170 Ų170135.9 Ų135.989%0.8976%0.757SS**  trans-68.593.4158-82.6119.6000110.9
292H37.7Very low38.6Very low167 Ų167128.2 Ų128.277%0.77374%0.737SS**  trans-152.8126145.9-125.956.2000112.6S290S290-H292 PolarHBondContact O-N 2.74Å; S290-H292 VanDerWaalsContact O-N 3.16Å
293N34.9Very low38.3Very low146 Ų146126.6 Ų126.678%0.78173%0.725SS**  trans67.564.5174.3-61.8-12.1000117.1
294I39.6Very low38.9Very low123 Ų123129.5 Ų129.563%0.63172%0.724SS**  trans-90.2109.8156.8-58.8175.8000108.2M296I294-M296 VanDerWaalsContact C-N 3.32Å; I294-M296 HydrophobicContact CG2-CG 4.02Å; I294-M296 HydrophobicContact CG2-SD 4.09Å; I294-M296 PolarHBondContact O-N 2.97Å
295T32Very low39.6Very low138 Ų138123.6 Ų123.685%0.84769%0.689SS**  trans-67.295.5158.4-26.30000106.9G297T295-G297 PolarHBondContact O-N 2.85Å
296M36.3Very low41.5Very low163 Ų163124.4 Ų124.480%0.80368%0.682SS**  trans-67.597.2176.3-81.4-73-140.900109.4I294I294-M296 VanDerWaalsContact C-N 3.32Å; I294-M296 HydrophobicContact CG2-CG 4.02Å; I294-M296 HydrophobicContact CG2-SD 4.09Å; I294-M296 PolarHBondContact O-N 2.97Å
297G32.1Very low43.7Very low52 Ų52120.1 Ų120.154%0.53665%0.65SS.*SBendtrans-160.1102.4175.500000112.5T295 T299T295-G297 PolarHBondContact O-N 2.85Å; G297-T299 PolarHBondContact O-N 3.06Å
298S40Very low46.3Very low116 Ų116116.3 Ų116.381%0.81163%0.627SS**SBendtrans67.9-17.7155.8-166.90000122
299T38.6Very low48.6Very low116 Ų116113.1 Ų113.171%0.71262%0.615SS**G310 helixtrans-88-19.2-170.652.70000115.9G297 F301G297-T299 PolarHBondContact O-N 3.06Å; T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 3.1Å
300L32.8Very low51.1Low121 Ų121106.6 Ų106.663%0.63458%0.582SS**G310 helixtrans-77.9-8.2-175.1-69.4169.2000115
301F37.7Very low53.8Low186 Ų186106.6 Ų106.682%0.81658%0.58SS**G310 helixtrans-119.514.7-179.2-62.1-75000113.6T299 T303T299-F301 VanDerWaalsContact C-N 3.31Å; T299-F301 PolarHBondContact O-N 3.1Å; F301-T303 PolarHBondContact O-N 3.29Å
302S41.8Very low55.9Low54 Ų54101.5 Ų101.538%0.37855%0.553SS.*  trans-74.595.6176-175.30000110.2Q304S302-Q304 PolarHBondContact O-N 3.46Å
303T47.3Very low58.4Low51 Ų5198.1 Ų98.131%0.31355%0.546SS..  trans-69.694.8169.4-45.80000108.9D279 F301 S305 K395D279-T303 HydrophobicContact CB-CG2 3.71Å; F301-T303 PolarHBondContact O-N 3.29Å; T303-S305 PolarHBondContact O-N 3.17Å; T303-K395 PolarHBondContact O-NZ 2.82Å; T303-K395 VanDerWaalsContact O-NZ 3.12Å
304Q56.1Low61.1Low148 Ų14891.7 Ų91.769%0.69251%0.512SS*.EExtended strand (participates in β ladder)trans-70.3115.3171.1-66.2-173.7-700108R280 S302R280-Q304 PolarHBondContact N-O 3.35Å; R280-Q304 VanDerWaalsContact N-O 3.14Å; S302-Q304 PolarHBondContact O-N 3.46Å
305S60.3Low63.7Low12 Ų1291.5 Ų91.58%0.08451%0.508CS..EExtended strand (participates in β ladder)trans-86.9139.8162.856.60000109.3E277 V278 D279 T303 K395 S406E277-S305 VanDerWaalsContact OE1-CB 3.27Å; E277-S305 WeakPolarHBondContact OE1-CB 3.27Å; E277-S305 PolarHBondContact OE1-OG 3.41Å; V278-S305 WeakPolarHBondContact O-CA 3.3Å; V278-S305 WeakPolarHBondContact O-CB 3.49Å; D279-S305 WeakPolarHBondContact OD1-CB 3.3Å; T303-S305 PolarHBondContact O-N 3.17Å; S305-K395 WeakPolarHBondContact OG-CD 3.32Å; S305-K395 WeakPolarHBondContact OG-CE 3.36Å; S305-K395 PolarHBondContact OG-NZ 2.81Å; S305-S406 PolarHBondContact O-OG 3.16Å
306K79.4Confident66.7Low141 Ų14185.2 Ų85.261%0.61347%0.47SS*.EExtended strand (participates in β ladder)trans-124.9148173-170.4-177.7175.6179.80107.6V278V278-K306 PolarHBondContact N-O 3.28Å; V278-K306 PolarHBondContact O-N 2.85Å; V278-K306 VanDerWaalsContact O-N 3.08Å
307Y86.4Confident69.4Low18 Ų1880.5 Ų80.57%0.07145%0.451CS..EExtended strand (participates in β ladder)trans-77.4127.7164.3-76.8-73.9000110.4K276 E277 H371 Y397 C404K276-Y307 WeakPolarHBondContact O-CA 3.29Å; E277-Y307 HydrophobicContact CB-CE1 4.26Å; Y307-H371 AromaticContact CZ-NE2 3.94Å; Y307-H371 PolarHBondContact OH-CD2 2.78Å; Y307-H371 PolarHBondContact OH-NE2 2.87Å; Y307-Y397 AromaticContact CE2-CD1 3.76Å; Y307-Y397 HydrophobicContact CE2-CD1 3.76Å; Y307-Y397 AromaticContact CZ-CD1 3.68Å; Y307-Y397 WeakPolarHBondContact OH-CB 3.45Å; Y307-Y397 WeakPolarHBondContact OH-CD1 3.41Å; Y307-C404 HydrophobicContact CD1-CB 4.38Å; Y307-C404 HydrophobicContact CD2-CB 3.35Å; Y307-C404 HydrophobicContact CE2-CB 3.73Å; Y307-C404 HydrophobicContact CG-CB 3.68Å
308E89.4Confident72.3Confident65 Ų6580.8 Ų80.830%0.30444%0.442SS..EExtended strand (participates in β ladder)trans-108139167.8-64.3-174.117300108.6K276 V278 R280 C310K276-E308 PolarHBondContact N-O 3.23Å; K276-E308 PolarHBondContact O-N 3.01Å; V278-E308 HydrophobicContact CB-CG 4.46Å; V278-E308 HydrophobicContact CG2-CB 4.16Å; V278-E308 HydrophobicContact CG2-CG 4.07Å; R280-E308 IonicContact CZ-OE1 3.4Å; R280-E308 IonicContact NE-OE1 3.98Å; R280-E308 PolarHBondContact NE-OE1 2.89Å; R280-E308 IonicContact NH2-OE1 2.74Å; R280-E308 PolarHBondContact NH2-OE1 2.81Å; E308-C310 PolarHBondContact O-N 3.09Å
309I90.4Very high74.8Confident111 Ų11179.9 Ų79.957%0.56943%0.432SS*.EExtended strand (participates in β ladder)trans-79.3117.7173.1-63.3172.5000106.9I273 V274 Y275I273-I309 HydrophobicContact CG2-CD1 4.38Å; I273-I309 HydrophobicContact CG2-CG1 4.2Å; I273-I309 HydrophobicContact CG2-CG2 3.94Å; V274-I309 WeakPolarHBondContact O-CA 3.48Å; Y275-I309 HydrophobicContact CD1-CG1 3.87Å; Y275-I309 HydrophobicContact CE1-CD1 4.02Å; Y275-I309 HydrophobicContact CE1-CG1 3.63Å
310C88.6Confident77.1Confident25 Ų2583.1 Ų83.117%0.16944%0.436CS..PPolyproline II helixtrans-81.6132.6-179.7-68.80000111.1V274 K276 E308 V314V274-C310 HydrophobicContact CB-CB 4.43Å; V274-C310 PolarHBondContact O-N 2.66Å; K276-C310 WeakPolarHBondContact CB-SG 3.29Å; E308-C310 PolarHBondContact O-N 3.09Å; C310-V314 HydrophobicContact CB-CG2 3.46Å; C310-V314 VanDerWaalsContact CB-CG2 3.46Å
311P87.2Confident79.5Confident116 Ų11680.4 Ų80.475%0.75343%0.426SS*.PPolyproline II helixtrans-66.8141.7168.529.9-33.3000109.5V314P311-V314 WeakPolarHBondContact O-CG2 3.22Å
312L85.9Confident81.8Confident63 Ų6377.5 Ų77.533%0.3342%0.415SS..SBendtrans-75.7147174.9-57.8-178.8000110.2I267 T270 V274 V314I267-L312 HydrophobicContact CB-CD2 4.27Å; I267-L312 HydrophobicContact CG2-CD2 3.74Å; T270-L312 WeakPolarHBondContact O-CD1 3.45Å; V274-L312 HydrophobicContact CG2-CD2 3.99Å; L312-V314 HydrophobicContact CD2-CG2 4Å
313P89.9Confident83.6Confident95 Ų9580.9 Ų80.962%0.61744%0.435SS*.SBendcis-81.8146.23.432.5-35.3000114.2T266 I267 D268T266-P313 HydrophobicContact CG2-CB 4.39Å; I267-P313 CarbonylContact O-C 3.59Å; I267-P313 WeakPolarHBondContact O-CA 3.24Å; D268-P313 HydrophobicContact CB-CB 4Å
314V92.3Very high85.4Confident11 Ų1186.2 Ų86.27%0.06746%0.462CS..EExtended strand (participates in β ladder)trans-118.3133.4176.5-175.10000110.7T266 I267 V274 C310 P311 L312 I316T266-V314 WeakPolarHBondContact CA-O 3.47Å; I267-V314 PolarHBondContact N-O 2.82Å; I267-V314 PolarHBondContact O-N 2.93Å; V274-V314 HydrophobicContact CB-CG2 4.31Å; V274-V314 HydrophobicContact CG1-CB 4.44Å; V274-V314 HydrophobicContact CG1-CG1 4.06Å; V274-V314 HydrophobicContact CG1-CG2 4.42Å; V274-V314 HydrophobicContact CG2-CB 4.48Å; V274-V314 HydrophobicContact CG2-CG2 4.35Å; C310-V314 HydrophobicContact CB-CG2 3.46Å; C310-V314 VanDerWaalsContact CB-CG2 3.46Å; P311-V314 WeakPolarHBondContact O-CG2 3.22Å; L312-V314 HydrophobicContact CD2-CG2 4Å; V314-I316 HydrophobicContact CG1-CD1 4.2Å
315Q93.5Very high86.8Confident120 Ų12085.5 Ų85.556%0.56145%0.453SS*.EExtended strand (participates in β ladder)trans-94.2120.5173.4-65.6-66.3-18.300109.8A265 T266A265-Q315 PolarHBondContact O-OE1 2.87Å; T266-Q315 PolarHBondContact OG1-NE2 2.91Å; T266-Q315 PolarHBondContact OG1-OE1 2.99Å
316I94.6Very high88Confident6 Ų688.9 Ų88.93%0.03148%0.481CS..PPolyproline II helixtrans-90129.6174.7-56.7-57000108.8A265 I267 V274 V314 V318 M351 A354 W356 V368A265-I316 PolarHBondContact O-N 2.8Å; I267-I316 HydrophobicContact CD1-CD1 4.06Å; I267-I316 HydrophobicContact CD1-CG1 3.84Å; I267-I316 HydrophobicContact CG1-CG1 4.3Å; V274-I316 HydrophobicContact CG1-CD1 4.42Å; V314-I316 HydrophobicContact CG1-CD1 4.2Å; I316-V318 WeakPolarHBondContact O-CG2 3.48Å; I316-V318 PolarHBondContact O-N 3.25Å; I316-M351 HydrophobicContact CG2-SD 4.02Å; I316-A354 HydrophobicContact CG2-CB 3.71Å; I316-W356 HydrophobicContact CG1-CH2 4.49Å; I316-W356 HydrophobicContact CG1-CZ2 4.26Å; I316-W356 HydrophobicContact CG2-CZ2 4.47Å; I316-V368 HydrophobicContact CD1-CG1 4.04Å
317P93.1Very high88.2Confident63 Ų6389.3 Ų89.341%0.40949%0.49SS..PPolyproline II helixtrans-59124178.4-25.434.6000112.5E370P317-E370 WeakPolarHBondContact CD-OE1 3.31Å
318V93.4Very high88.2Confident58 Ų5890.5 Ų90.535%0.35250%0.5SS..  trans-116.9122.5176.4-169.50000109.7A265 I316 K320 M351A265-V318 HydrophobicContact CB-CG2 3.6Å; I316-V318 WeakPolarHBondContact O-CG2 3.48Å; I316-V318 PolarHBondContact O-N 3.25Å; V318-K320 PolarHBondContact O-N 3.46Å; V318-M351 HydrophobicContact CG1-CE 4.37Å; V318-M351 HydrophobicContact CG2-CE 3.59Å; V318-M351 HydrophobicContact CG2-CG 4.16Å; V318-M351 HydrophobicContact CG2-SD 4.4Å
319V91.7Very high88.1Confident98 Ų9894.2 Ų94.259%0.59452%0.515SS*.  trans-88.2107.2174.3-177.20000108.3N350V319-N350 WeakPolarHBondContact CB-O 3.48Å; V319-N350 PolarHBondContact N-O 2.83Å; V319-N350 WeakPolarHBondContact O-CB 3.37Å
320K87.1Confident88.3Confident183 Ų18390 Ų9080%0.79649%0.494SS*.PPolyproline II helixtrans-64.4130.6175.8-67.8-176.6179.8179.80109.8V318 E322V318-K320 PolarHBondContact O-N 3.46Å; K320-E322 PolarHBondContact O-N 2.5Å
321P83.9Confident88.6Confident65 Ų6588.8 Ų88.842%0.42249%0.486SS..PPolyproline II helixtrans-66135.5176.827.7-34.4000110.3P328 I330P321-P328 HydrophobicContact CB-CB 3.75Å; P321-I330 HydrophobicContact CB-CG2 3.7Å; P321-I330 HydrophobicContact CG-CG2 3.79Å
322E84.7Confident89.1Confident125 Ų12583.3 Ų83.358%0.58445%0.45SS*.PPolyproline II helixtrans-74123.5169.6-70.7169.617800108.7K320 D324 R325K320-E322 PolarHBondContact O-N 2.5Å; E322-D324 VanDerWaalsContact C-N 3.26Å; E322-D324 PolarHBondContact O-N 3.2Å; E322-R325 HydrophobicContact CB-CB 3.83Å; E322-R325 PolarHBondContact O-N 3.38Å
323P79.5Confident89.5Confident125 Ų12582.2 Ų82.281%0.81245%0.447SS*.THydrogen-bonded Turntrans-64.1-31.4-174.523.3-32000113R325P323-R325 VanDerWaalsContact C-N 3.31Å
324D85.3Confident89.8Confident162 Ų16279.5 Ų79.587%0.86643%0.429SS*.THydrogen-bonded Turntrans-85.3-6-178.2-56.6-43.8000113.2E322 A326E322-D324 VanDerWaalsContact C-N 3.26Å; E322-D324 PolarHBondContact O-N 3.2Å; D324-A326 PolarHBondContact O-N 2.81Å
325R87Confident90Very high134 Ų13479.9 Ų79.951%0.50643%0.431SS..SBendtrans-85117.8-178.9-176.4176.7177.4167.26.7110.1E322 P323 N327 P328E322-R325 HydrophobicContact CB-CB 3.83Å; E322-R325 PolarHBondContact O-N 3.38Å; P323-R325 VanDerWaalsContact C-N 3.31Å; R325-N327 PolarHBondContact O-N 2.92Å; R325-P328 WeakPolarHBondContact O-CD 3.2Å
326A84.2Confident90.2Very high83 Ų8375.3 Ų75.369%0.68641%0.413SS*.SBendtrans-56.7137170.600000111.2D324D324-A326 PolarHBondContact O-N 2.81Å
327N83Confident90.4Very high150 Ų15075.8 Ų75.880%0.80242%0.415SS*.SBendtrans52.764.8-180-58.6-47.7000113.3R325R325-N327 PolarHBondContact O-N 2.92Å
328P86.4Confident90.6Very high43 Ų4372.8 Ų72.828%0.27940%0.396SS..  trans-60.3145.5178.525.8-33000111.3P321 R325 I330P321-P328 HydrophobicContact CB-CB 3.75Å; R325-P328 WeakPolarHBondContact O-CD 3.2Å; P328-I330 VanDerWaalsContact C-N 3.27Å; P328-I330 HydrophobicContact CB-CG1 4.38Å; P328-I330 HydrophobicContact CB-CG2 4.38Å; P328-I330 HydrophobicContact CG-CD1 4.14Å; P328-I330 HydrophobicContact CG-CG1 4.12Å; P328-I330 PolarHBondContact O-N 3.49Å
329K89.3Confident90.7Very high142 Ų14271.9 Ų71.962%0.61739%0.392SS*.SBendtrans-77.577177.9-69.7-170.9178.8-176.30110.3D349 N350K329-D349 VanDerWaalsContact C-CB 3.47Å; K329-D349 HydrophobicContact CB-CB 4.19Å; K329-D349 CarbonylContact O-C 3.47Å; K329-N350 WeakPolarHBondContact O-CA 3.35Å; K329-N350 PolarHBondContact O-N 3.08Å; K329-N350 VanDerWaalsContact O-N 3.11Å
330I92.9Very high90.9Very high23 Ų2370.8 Ų70.812%0.11838%0.383CS..  trans-131162.9-179.757.8164.6000111.6L224 K227 Y243 P321 P328 N350L224-I330 HydrophobicContact CD1-CD1 4.35Å; K227-I330 WeakPolarHBondContact CE-O 3.4Å; K227-I330 PolarHBondContact NZ-O 3.19Å; Y243-I330 HydrophobicContact CD1-CD1 4.27Å; Y243-I330 HydrophobicContact CD1-CG1 4.05Å; P321-I330 HydrophobicContact CB-CG2 3.7Å; P321-I330 HydrophobicContact CG-CG2 3.79Å; P328-I330 VanDerWaalsContact C-N 3.27Å; P328-I330 HydrophobicContact CB-CG1 4.38Å; P328-I330 HydrophobicContact CB-CG2 4.38Å; P328-I330 HydrophobicContact CG-CD1 4.14Å; P328-I330 HydrophobicContact CG-CG1 4.12Å; P328-I330 PolarHBondContact O-N 3.49Å; I330-N350 HydrophobicContact CG2-CB 4.37Å
331G94.9Very high91.3Very high0 Ų062.6 Ų62.60%035%0.349CS..SBendtrans83.9170.4177.600000113.8S242 S333 N348 D349S242-G331 WeakPolarHBondContact O-CA 3.06Å; G331-S333 PolarHBondContact O-N 2.95Å; G331-N348 PolarHBondContact N-OD1 3.46Å; G331-N348 PolarHBondContact O-OD1 2.87Å; G331-D349 PolarHBondContact O-N 2.92Å
332V97.7Very high91.9Very high0 Ų064.1 Ų64.10%035%0.346CS..EExtended strand (participates in β ladder)trans-84105.1-176.3-170.70000110.6K227 S228 S242 V247 V334 L335K227-V332 WeakPolarHBondContact CD-O 3.32Å; S228-V332 PolarHBondContact OG-O 2.82Å; S242-V332 PolarHBondContact O-N 3.37Å; V247-V332 HydrophobicContact CG2-CB 4.22Å; V247-V332 HydrophobicContact CG2-CG1 3.79Å; V247-V332 HydrophobicContact CG2-CG2 3.79Å; V332-V334 WeakPolarHBondContact CG1-O 3.5Å; V332-L335 HydrophobicContact CG1-CD2 3.72Å; V332-L335 HydrophobicContact CG1-CG 4.25Å
333S94.5Very high92.6Very high40 Ų4058.5 Ų58.528%0.2832%0.319SS..EExtended strand (participates in β ladder)trans-90.5-26-177.254.10000114.2G331 K347 D349G331-S333 PolarHBondContact O-N 2.95Å; S333-K347 PolarHBondContact N-O 2.88Å; S333-K347 WeakPolarHBondContact OG-CE 3.39Å; S333-K347 PolarHBondContact OG-NZ 3.02Å; S333-K347 PolarHBondContact OG-O 2.79Å; S333-D349 WeakPolarHBondContact CB-OD1 3.47Å; S333-D349 WeakPolarHBondContact CB-OD2 3.16Å; S333-D349 PolarHBondContact OG-OD1 2.88Å
334V96.2Very high93.5Very high39 Ų3952.5 Ų52.524%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-117.9127.7179.6-179.10000108.6V332 T346 K347V332-V334 WeakPolarHBondContact CG1-O 3.5Å; V334-T346 VanDerWaalsContact O-CA 3.25Å; V334-T346 WeakPolarHBondContact O-CA 3.42Å; V334-K347 HydrophobicContact CB-CB 3.74Å; V334-K347 HydrophobicContact CG2-CB 3.9Å; V334-K347 HydrophobicContact CG2-CD 4.36Å; V334-K347 PolarHBondContact O-N 3.21Å
335L97.4Very high94.1Very high19 Ų1944.8 Ų44.810%0.09924%0.24CC..EExtended strand (participates in β ladder)trans-132.7117.8166-63.1171.3000106.4S228 A239 V247 V332 L344 T346S228-L335 VanDerWaalsContact OG-CD1 3.25Å; S228-L335 WeakPolarHBondContact OG-CD1 3.17Å; S228-L335 WeakPolarHBondContact OG-CG 3.31Å; A239-L335 HydrophobicContact CB-CD1 4.12Å; V247-L335 HydrophobicContact CB-CD2 4.44Å; V247-L335 HydrophobicContact CG1-CD2 3.72Å; V247-L335 HydrophobicContact CG2-CD2 3.82Å; V332-L335 HydrophobicContact CG1-CD2 3.72Å; V332-L335 HydrophobicContact CG1-CG 4.25Å; L335-L344 HydrophobicContact CB-CD1 4.49Å; L335-T346 HydrophobicContact CD2-CG2 3.75Å
336A97.6Very high94.7Very high23 Ų2338.5 Ų38.519%0.1922%0.216CC..EExtended strand (participates in β ladder)trans-141.7120.3178.100000109.3A345 W380A336-A345 PolarHBondContact N-O 2.87Å; A336-A345 PolarHBondContact O-N 2.93Å; A336-W380 PolarHBondContact O-NE1 3.22Å
337F98.3Very high95.3Very high16 Ų1635.8 Ų35.87%0.0719%0.188CC..EExtended strand (participates in β ladder)trans-81147.2172.1-74.5-87000110.7W231 P233 F237 A239 Y343 L344 M360 W380W231-F337 WeakPolarHBondContact O-CD2 3.25Å; P233-F337 VanDerWaalsContact CD-CB 3.49Å; P233-F337 HydrophobicContact CG-CB 4.36Å; F237-F337 HydrophobicContact CB-CZ 4.19Å; A239-F337 HydrophobicContact CB-CE2 3.6Å; A239-F337 HydrophobicContact CB-CZ 3.76Å; F337-Y343 CarbonylContact C-O 3.52Å; F337-Y343 WeakPolarHBondContact CA-O 3.45Å; F337-L344 HydrophobicContact CD1-CB 4.13Å; F337-L344 HydrophobicContact CD1-CD1 4.1Å; F337-L344 HydrophobicContact CD2-CD1 3.9Å; F337-L344 HydrophobicContact CE1-CB 4.11Å; F337-L344 HydrophobicContact CE1-CD1 4.11Å; F337-L344 HydrophobicContact CE1-CD2 4.44Å; F337-L344 HydrophobicContact CE1-CG 4.45Å; F337-L344 HydrophobicContact CE2-CD1 3.92Å; F337-L344 HydrophobicContact CG-CD1 4.01Å; F337-L344 HydrophobicContact CZ-CD1 4.03Å; F337-L344 HydrophobicContact CZ-CD2 4.33Å; F337-M360 HydrophobicContact CD1-CG 4.25Å; F337-M360 HydrophobicContact CE1-CE 4.11Å; F337-M360 HydrophobicContact CE1-CG 3.91Å; F337-M360 HydrophobicContact CE1-SD 3.96Å; F337-W380 VanDerWaalsContact C-CD1 3.44Å
338S97.8Very high95.9Very high0 Ų028.6 Ų28.60%015%0.15CC..  trans-64.8158.8166.658.20000110.9D340 S341 R342 Y343S338-D340 WeakPolarHBondContact CB-OD1 3.36Å; S338-D340 PolarHBondContact O-N 3.31Å; S338-D340 VanDerWaalsContact O-N 3.13Å; S338-D340 PolarHBondContact OG-OD1 3.45Å; S338-S341 PolarHBondContact O-N 3.25Å; S338-R342 PolarHBondContact OG-N 3.13Å; S338-Y343 PolarHBondContact N-O 3.17Å; S338-Y343 PolarHBondContact OG-N 3.19Å; S338-Y343 PolarHBondContact OG-O 3.04Å
339S94.9Very high96.3Very high40 Ų4028 Ų2828%0.2815%0.145SC..THydrogen-bonded Turntrans-55.4-31.4-178.7580000113.8P382 R383S339-P382 VanDerWaalsContact CB-O 3.24Å; S339-P382 WeakPolarHBondContact CB-O 3.43Å; S339-R383 VanDerWaalsContact OG-C 3.3Å; S339-R383 PolarHBondContact OG-O 2.86Å
340D95.8Very high96.6Very high74 Ų7421.4 Ų21.440%0.39612%0.116SC..THydrogen-bonded Turntrans-89.53.2178.565.3-3.5000113.8S338 R342S338-D340 WeakPolarHBondContact CB-OD1 3.36Å; S338-D340 PolarHBondContact O-N 3.31Å; S338-D340 VanDerWaalsContact O-N 3.13Å; S338-D340 PolarHBondContact OG-OD1 3.45Å; D340-R342 PolarHBondContact O-N 3.39Å; D340-R342 VanDerWaalsContact O-N 3.1Å; D340-R342 WeakPolarHBondContact OD1-CB 3.46Å; D340-R342 PolarHBondContact OD1-N 3.49Å
341S96.6Very high96.7Very high11 Ų1120.5 Ų20.58%0.07711%0.112CC..SBendtrans59.39-173.3-47.50000115.5P233 S234 S338P233-S341 WeakPolarHBondContact CD-OG 3.37Å; S234-S341 WeakPolarHBondContact CB-OG 3.39Å; S234-S341 PolarHBondContact N-OG 2.89Å; S234-S341 PolarHBondContact OG-OG 2.94Å; S338-S341 PolarHBondContact O-N 3.25Å
342R96.7Very high96.7Very high98 Ų9822 Ų2237%0.3712%0.124SC..SBendtrans-78.6-32.4-176.9-177.1172.7177.5-169.6-2.9112.8S338 D340 M360S338-R342 PolarHBondContact OG-N 3.13Å; D340-R342 PolarHBondContact O-N 3.39Å; D340-R342 VanDerWaalsContact O-N 3.1Å; D340-R342 WeakPolarHBondContact OD1-CB 3.46Å; D340-R342 PolarHBondContact OD1-N 3.49Å; R342-M360 WeakPolarHBondContact O-CB 3.42Å; R342-M360 PolarHBondContact O-N 2.86Å
343Y98.1Very high96.6Very high6 Ų623.2 Ų23.22%0.02413%0.131CC..EExtended strand (participates in β ladder)trans-119.4147.2-177.7-62.5-78.5000111F337 S338 V357 W358 D359 W380 P385 W399 P401F337-Y343 CarbonylContact C-O 3.52Å; F337-Y343 WeakPolarHBondContact CA-O 3.45Å; S338-Y343 PolarHBondContact N-O 3.17Å; S338-Y343 PolarHBondContact OG-N 3.19Å; S338-Y343 PolarHBondContact OG-O 3.04Å; Y343-V357 HydrophobicContact CD1-CG1 3.88Å; Y343-V357 HydrophobicContact CG-CG1 4.29Å; Y343-W358 CarbonylContact C-O 3.59Å; Y343-W358 VanDerWaalsContact CA-O 3.25Å; Y343-W358 WeakPolarHBondContact CA-O 3.31Å; Y343-D359 HydrophobicContact CE1-CB 4.33Å; Y343-W380 HydrophobicContact CG-CH2 4.27Å; Y343-P385 HydrophobicContact CD2-CB 3.87Å; Y343-P385 HydrophobicContact CE2-CB 4.1Å; Y343-W399 AromaticContact CD1-CH2 3.77Å; Y343-W399 HydrophobicContact CD1-CH2 3.77Å; Y343-W399 HydrophobicContact CD2-CH2 4.14Å; Y343-W399 HydrophobicContact CD2-CZ3 4.43Å; Y343-W399 AromaticContact CE1-CH2 3.82Å; Y343-W399 HydrophobicContact CE1-CH2 3.82Å; Y343-W399 HydrophobicContact CE1-CZ2 4.43Å; Y343-W399 HydrophobicContact CE2-CH2 4.2Å; Y343-W399 AromaticContact CG-CH2 3.92Å; Y343-W399 HydrophobicContact CG-CH2 3.92Å; Y343-W399 HydrophobicContact CG-CZ3 4.35Å; Y343-P401 HydrophobicContact CE2-CG 3.66Å; Y343-P401 WeakPolarHBondContact OH-CG 3.23Å
344L98.5Very high96.7Very high0 Ų021.3 Ų21.30%012%0.118CC..EExtended strand (participates in β ladder)trans-121.8122.9170.7174.365.1000108A239 V247 I249 F261 L335 F337 T346 V357 W358 M360A239-L344 HydrophobicContact CB-CD2 4.25Å; V247-L344 HydrophobicContact CG1-CD2 4.14Å; I249-L344 HydrophobicContact CD1-CD2 3.81Å; F261-L344 HydrophobicContact CD2-CD2 4.39Å; F261-L344 HydrophobicContact CE2-CD2 4.27Å; L335-L344 HydrophobicContact CB-CD1 4.49Å; F337-L344 HydrophobicContact CD1-CB 4.13Å; F337-L344 HydrophobicContact CD1-CD1 4.1Å; F337-L344 HydrophobicContact CD2-CD1 3.9Å; F337-L344 HydrophobicContact CE1-CB 4.11Å; F337-L344 HydrophobicContact CE1-CD1 4.11Å; F337-L344 HydrophobicContact CE1-CD2 4.44Å; F337-L344 HydrophobicContact CE1-CG 4.45Å; F337-L344 HydrophobicContact CE2-CD1 3.92Å; F337-L344 HydrophobicContact CG-CD1 4.01Å; F337-L344 HydrophobicContact CZ-CD1 4.03Å; F337-L344 HydrophobicContact CZ-CD2 4.33Å; L344-T346 HydrophobicContact CD1-CG2 4.38Å; L344-T346 HydrophobicContact CD2-CG2 3.99Å; L344-T346 HydrophobicContact CG-CG2 3.77Å; L344-V357 CarbonylContact O-C 3.56Å; L344-V357 WeakPolarHBondContact O-CA 3.5Å; L344-W358 HydrophobicContact CB-CB 4.34Å; L344-W358 PolarHBondContact N-O 2.87Å; L344-W358 VanDerWaalsContact O-CD1 3.24Å; L344-W358 PolarHBondContact O-N 3.02Å; L344-M360 HydrophobicContact CB-CG 4.12Å; L344-M360 HydrophobicContact CB-SD 3.66Å; L344-M360 HydrophobicContact CD2-SD 4.12Å
345A98.5Very high96.8Very high0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-94.1131.8170.500000109.7A336 V355 W356 V378 W380 L387A336-A345 PolarHBondContact N-O 2.87Å; A336-A345 PolarHBondContact O-N 2.93Å; A345-V355 HydrophobicContact CB-CG1 4.47Å; A345-W356 CarbonylContact C-O 3.55Å; A345-W356 VanDerWaalsContact CA-O 3.29Å; A345-W356 WeakPolarHBondContact CA-O 3.19Å; A345-V378 HydrophobicContact CB-CG1 4.28Å; A345-W380 HydrophobicContact CB-CZ2 3.7Å; A345-L387 HydrophobicContact CB-CD1 4.27Å; A345-L387 HydrophobicContact CB-CD2 4.02Å
346T98.6Very high96.8Very high1 Ų118.6 Ų18.61%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-131.2149.4178.970.60000111.6V247 H263 V334 L335 L344 W356 W358V247-T346 HydrophobicContact CG2-CG2 4.08Å; H263-T346 PolarHBondContact NE2-OG1 3.29Å; V334-T346 VanDerWaalsContact O-CA 3.25Å; V334-T346 WeakPolarHBondContact O-CA 3.42Å; L335-T346 HydrophobicContact CD2-CG2 3.75Å; L344-T346 HydrophobicContact CD1-CG2 4.38Å; L344-T346 HydrophobicContact CD2-CG2 3.99Å; L344-T346 HydrophobicContact CG-CG2 3.77Å; T346-W356 PolarHBondContact N-O 2.64Å; T346-W356 PolarHBondContact O-N 2.76Å; T346-W358 PolarHBondContact OG1-NE1 2.83Å
347K97.4Very high96.8Very high26 Ų2617.5 Ų17.511%0.1139%0.093CC..EExtended strand (participates in β ladder)trans-132.9120.8174.2-166.4-1737168.10109.7S333 V334 D349 V375S333-K347 PolarHBondContact N-O 2.88Å; S333-K347 WeakPolarHBondContact OG-CE 3.39Å; S333-K347 PolarHBondContact OG-NZ 3.02Å; S333-K347 PolarHBondContact OG-O 2.79Å; V334-K347 HydrophobicContact CB-CB 3.74Å; V334-K347 HydrophobicContact CG2-CB 3.9Å; V334-K347 HydrophobicContact CG2-CD 4.36Å; V334-K347 PolarHBondContact O-N 3.21Å; K347-D349 IonicContact NZ-OD1 2.8Å; K347-D349 PolarHBondContact NZ-OD1 3.25Å; K347-V375 HydrophobicContact CD-CB 4.37Å
348N96.8Very high96.8Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans-88131.7170.4-169.8-2.3000109.4E245 H263 G331 N350 M351E245-N348 WeakPolarHBondContact CB-ND2 3.49Å; E245-N348 PolarHBondContact OE2-ND2 3.32Å; H263-N348 HydrophobicContact CB-CB 4.44Å; G331-N348 PolarHBondContact N-OD1 3.46Å; G331-N348 PolarHBondContact O-OD1 2.87Å; N348-N350 VanDerWaalsContact C-N 3.27Å; N348-N350 PolarHBondContact ND2-OD1 2.99Å; N348-N350 PolarHBondContact O-N 2.84Å; N348-N350 PolarHBondContact OD1-OD1 2.88Å; N348-M351 HydrophobicContact CB-CB 4.37Å; N348-M351 CarbonylContact O-C 3.55Å; N348-M351 PolarHBondContact O-N 3.49Å; N348-M351 VanDerWaalsContact O-N 3.13Å
349D94.9Very high96.8Very high30 Ų3017.2 Ų17.216%0.169%0.091CC..THydrogen-bonded Turntrans-68.2-25-173.4-83.4-15.5000114K227 K329 G331 S333 K347 M351K227-D349 WeakPolarHBondContact CE-OD2 3.29Å; K227-D349 IonicContact NZ-OD2 3.32Å; K227-D349 PolarHBondContact NZ-OD2 2.92Å; K329-D349 VanDerWaalsContact C-CB 3.47Å; K329-D349 HydrophobicContact CB-CB 4.19Å; K329-D349 CarbonylContact O-C 3.47Å; G331-D349 PolarHBondContact O-N 2.92Å; S333-D349 WeakPolarHBondContact CB-OD1 3.47Å; S333-D349 WeakPolarHBondContact CB-OD2 3.16Å; S333-D349 PolarHBondContact OG-OD1 2.88Å; K347-D349 IonicContact NZ-OD1 2.8Å; K347-D349 PolarHBondContact NZ-OD1 3.25Å; D349-M351 VanDerWaalsContact C-N 3.33Å
350N94.5Very high96.9Very high4 Ų415.5 Ų15.52%0.0218%0.079CC..THydrogen-bonded Turntrans-83-11.6175.473.4-12.3000112.8E245 V319 K329 I330 N348E245-N350 PolarHBondContact OE1-ND2 2.85Å; E245-N350 PolarHBondContact OE2-ND2 3.01Å; E245-N350 PolarHBondContact OE2-OD1 3.5Å; V319-N350 WeakPolarHBondContact CB-O 3.48Å; V319-N350 PolarHBondContact N-O 2.83Å; V319-N350 WeakPolarHBondContact O-CB 3.37Å; K329-N350 WeakPolarHBondContact O-CA 3.35Å; K329-N350 PolarHBondContact O-N 3.08Å; K329-N350 VanDerWaalsContact O-N 3.11Å; I330-N350 HydrophobicContact CG2-CB 4.37Å; N348-N350 VanDerWaalsContact C-N 3.27Å; N348-N350 PolarHBondContact ND2-OD1 2.99Å; N348-N350 PolarHBondContact O-N 2.84Å; N348-N350 PolarHBondContact OD1-OD1 2.88Å
351M95.9Very high96.8Very high4 Ų419.3 Ų19.32%0.0210%0.095CC..SBendtrans-113.557.3174.5-61.8-173.7-170.100109.6H263 I316 V318 N348 D349 T353 A354 W356H263-M351 HydrophobicContact CB-CE 4.06Å; H263-M351 HydrophobicContact CB-SD 4Å; H263-M351 WeakPolarHBondContact O-CE 3.25Å; I316-M351 HydrophobicContact CG2-SD 4.02Å; V318-M351 HydrophobicContact CG1-CE 4.37Å; V318-M351 HydrophobicContact CG2-CE 3.59Å; V318-M351 HydrophobicContact CG2-CG 4.16Å; V318-M351 HydrophobicContact CG2-SD 4.4Å; N348-M351 HydrophobicContact CB-CB 4.37Å; N348-M351 CarbonylContact O-C 3.55Å; N348-M351 PolarHBondContact O-N 3.49Å; N348-M351 VanDerWaalsContact O-N 3.13Å; D349-M351 VanDerWaalsContact C-N 3.33Å; M351-T353 PolarHBondContact O-N 3.42Å; M351-A354 HydrophobicContact CB-CB 4.27Å; M351-A354 PolarHBondContact O-N 3.36Å; M351-W356 HydrophobicContact SD-CZ2 3.83Å
352A93.9Very high96.8Very high31 Ų3124.8 Ų24.826%0.25612%0.117SC..THydrogen-bonded Turntrans-60-19.8-166.800000115.1A374 V375A352-A374 HydrophobicContact CB-CB 3.97Å; A352-A374 CarbonylContact O-C 3.5Å; A352-A374 WeakPolarHBondContact O-CA 3.28Å; A352-V375 PolarHBondContact O-N 3.37Å
353T95.8Very high96.7Very high26 Ų2622.4 Ų22.416%0.1611%0.111CC..THydrogen-bonded Turntrans-91.2-8.1179.253.70000113.9M351 H371M351-T353 PolarHBondContact O-N 3.42Å; T353-H371 VanDerWaalsContact CB-O 3.3Å; T353-H371 WeakPolarHBondContact CB-O 3.44Å; T353-H371 PolarHBondContact O-N 2.87Å; T353-H371 PolarHBondContact O-ND1 3.26Å
354A96.9Very high96.6Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-110.4137.6-173.100000112.2I316 M351 L369I316-A354 HydrophobicContact CG2-CB 3.71Å; M351-A354 HydrophobicContact CB-CB 4.27Å; M351-A354 PolarHBondContact O-N 3.36Å; A354-L369 WeakPolarHBondContact CA-O 3.28Å
355V97.9Very high96.5Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-119.7131.9165.81740000108.5A345 L369 V375 V378 L387 L389A345-V355 HydrophobicContact CB-CG1 4.47Å; V355-L369 HydrophobicContact CB-CB 4.34Å; V355-L369 PolarHBondContact N-O 2.95Å; V355-L369 PolarHBondContact O-N 3.42Å; V355-V375 HydrophobicContact CG2-CB 4.24Å; V355-V375 HydrophobicContact CG2-CG1 3.9Å; V355-V375 HydrophobicContact CG2-CG2 3.99Å; V355-V378 HydrophobicContact CG1-CG1 4.39Å; V355-V378 HydrophobicContact CG2-CG2 3.8Å; V355-L387 HydrophobicContact CG1-CD2 4.16Å; V355-L389 HydrophobicContact CB-CD2 3.91Å; V355-L389 HydrophobicContact CG1-CD2 3.9Å; V355-L389 HydrophobicContact CG2-CD2 3.73Å
356W98.1Very high96.4Very high0 Ų027 Ų270%014%0.14CC..EExtended strand (participates in β ladder)trans-108.3132.1-175.8-60.770000108.8H263 P264 I267 I316 A345 T346 M351 W358 L365 V368H263-W356 HydrophobicContact CB-CZ2 4.11Å; H263-W356 AromaticContact CD2-CD1 3.45Å; H263-W356 VanDerWaalsContact CD2-CD1 3.45Å; H263-W356 AromaticContact CD2-CD2 3.67Å; H263-W356 AromaticContact CD2-CE2 3.8Å; H263-W356 AromaticContact CD2-CG 3.49Å; H263-W356 VanDerWaalsContact CD2-CG 3.49Å; H263-W356 AromaticContact CD2-NE1 3.62Å; P264-W356 HydrophobicContact CG-CH2 3.88Å; P264-W356 HydrophobicContact CG-CZ3 4.05Å; P264-W356 VanDerWaalsContact O-CH2 3.27Å; P264-W356 WeakPolarHBondContact O-CH2 3.47Å; I267-W356 HydrophobicContact CD1-CH2 3.9Å; I267-W356 HydrophobicContact CD1-CZ3 4.13Å; I267-W356 HydrophobicContact CG1-CH2 4.11Å; I267-W356 HydrophobicContact CG1-CZ3 4.45Å; I316-W356 HydrophobicContact CG1-CH2 4.49Å; I316-W356 HydrophobicContact CG1-CZ2 4.26Å; I316-W356 HydrophobicContact CG2-CZ2 4.47Å; A345-W356 CarbonylContact C-O 3.55Å; A345-W356 VanDerWaalsContact CA-O 3.29Å; A345-W356 WeakPolarHBondContact CA-O 3.19Å; T346-W356 PolarHBondContact N-O 2.64Å; T346-W356 PolarHBondContact O-N 2.76Å; M351-W356 HydrophobicContact SD-CZ2 3.83Å; W356-W358 HydrophobicContact CB-CZ2 3.83Å; W356-W358 HydrophobicContact CD2-CZ2 4.24Å; W356-W358 AromaticContact CE3-CH2 3.86Å; W356-W358 HydrophobicContact CE3-CH2 3.86Å; W356-W358 AromaticContact CE3-CZ2 3.83Å; W356-W358 HydrophobicContact CE3-CZ2 3.83Å; W356-W358 HydrophobicContact CG-CZ2 4.28Å; W356-W358 HydrophobicContact CZ3-CH2 4.45Å; W356-L365 HydrophobicContact CB-CD1 4.46Å; W356-L365 HydrophobicContact CE3-CD1 3.62Å; W356-L365 HydrophobicContact CE3-CD2 3.76Å; W356-L365 HydrophobicContact CE3-CG 4.34Å; W356-L365 HydrophobicContact CZ3-CD1 4.3Å; W356-L365 HydrophobicContact CZ3-CD2 3.53Å; W356-V368 HydrophobicContact CD2-CG1 4.38Å; W356-V368 HydrophobicContact CD2-CG2 3.85Å; W356-V368 HydrophobicContact CE3-CG2 3.46Å; W356-V368 VanDerWaalsContact CE3-CG2 3.46Å; W356-V368 HydrophobicContact CG-CG2 4.5Å; W356-V368 HydrophobicContact CH2-CG2 4.23Å; W356-V368 HydrophobicContact CZ3-CG2 3.65Å
357V98.1Very high96.3Very high0 Ų027.1 Ų27.10%014%0.14CC..EExtended strand (participates in β ladder)trans-117.8118.5179-174.80000108.6Y343 L344 D366 T367 W380 L387 W399Y343-V357 HydrophobicContact CD1-CG1 3.88Å; Y343-V357 HydrophobicContact CG-CG1 4.29Å; L344-V357 CarbonylContact O-C 3.56Å; L344-V357 WeakPolarHBondContact O-CA 3.5Å; V357-D366 WeakPolarHBondContact O-CB 3.49Å; V357-D366 PolarHBondContact O-N 2.74Å; V357-T367 PolarHBondContact N-O 3.27Å; V357-T367 PolarHBondContact O-N 3.01Å; V357-W380 HydrophobicContact CG1-CH2 4.14Å; V357-W380 HydrophobicContact CG1-CZ2 4.4Å; V357-L387 HydrophobicContact CG2-CD2 4.26Å; V357-W399 HydrophobicContact CB-CZ2 4.41Å; V357-W399 HydrophobicContact CG1-CH2 3.63Å; V357-W399 HydrophobicContact CG1-CZ2 3.78Å; V357-W399 HydrophobicContact CG1-CZ3 4.07Å; V357-W399 HydrophobicContact CG2-CD2 4.48Å
358W98Very high96.3Very high10 Ų1025.9 Ų25.94%0.03814%0.135CC..EExtended strand (participates in β ladder)trans-103.8137-178.2-47.790000109.8F261 E262 Y343 L344 T346 W356 L365F261-W358 HydrophobicContact CB-CD2 3.86Å; F261-W358 HydrophobicContact CB-CE3 3.77Å; F261-W358 HydrophobicContact CB-CH2 3.84Å; F261-W358 HydrophobicContact CB-CZ2 3.87Å; F261-W358 HydrophobicContact CB-CZ3 3.74Å; F261-W358 HydrophobicContact CD1-CD2 4.03Å; F261-W358 AromaticContact CD1-CE3 3.44Å; F261-W358 HydrophobicContact CD1-CE3 3.44Å; F261-W358 VanDerWaalsContact CD1-CE3 3.44Å; F261-W358 AromaticContact CD1-CZ3 3.85Å; F261-W358 HydrophobicContact CD1-CZ3 3.85Å; F261-W358 HydrophobicContact CD2-CB 4.19Å; F261-W358 AromaticContact CD2-CD2 3.77Å; F261-W358 HydrophobicContact CD2-CD2 3.77Å; F261-W358 HydrophobicContact CD2-CE3 4.07Å; F261-W358 AromaticContact CD2-CG 3.76Å; F261-W358 HydrophobicContact CD2-CG 3.76Å; F261-W358 AromaticContact CE1-CE3 3.98Å; F261-W358 HydrophobicContact CE1-CE3 3.98Å; F261-W358 HydrophobicContact CE2-CB 3.84Å; F261-W358 HydrophobicContact CE2-CD2 4.29Å; F261-W358 AromaticContact CE2-CG 3.95Å; F261-W358 HydrophobicContact CE2-CG 3.95Å; F261-W358 AromaticContact CG-CD2 3.62Å; F261-W358 HydrophobicContact CG-CD2 3.62Å; F261-W358 AromaticContact CG-CE3 3.49Å; F261-W358 HydrophobicContact CG-CE3 3.49Å; F261-W358 VanDerWaalsContact CG-CE3 3.49Å; F261-W358 HydrophobicContact CG-CG 4.13Å; F261-W358 HydrophobicContact CG-CH2 4.47Å; F261-W358 AromaticContact CG-CZ3 3.93Å; F261-W358 HydrophobicContact CG-CZ3 3.93Å; F261-W358 HydrophobicContact CZ-CB 4.08Å; F261-W358 HydrophobicContact CZ-CE3 4.49Å; F261-W358 HydrophobicContact CZ-CG 4.46Å; E262-W358 WeakPolarHBondContact O-CH2 3.3Å; Y343-W358 CarbonylContact C-O 3.59Å; Y343-W358 VanDerWaalsContact CA-O 3.25Å; Y343-W358 WeakPolarHBondContact CA-O 3.31Å; L344-W358 HydrophobicContact CB-CB 4.34Å; L344-W358 PolarHBondContact N-O 2.87Å; L344-W358 VanDerWaalsContact O-CD1 3.24Å; L344-W358 PolarHBondContact O-N 3.02Å; T346-W358 PolarHBondContact OG1-NE1 2.83Å; W356-W358 HydrophobicContact CB-CZ2 3.83Å; W356-W358 HydrophobicContact CD2-CZ2 4.24Å; W356-W358 AromaticContact CE3-CH2 3.86Å; W356-W358 HydrophobicContact CE3-CH2 3.86Å; W356-W358 AromaticContact CE3-CZ2 3.83Å; W356-W358 HydrophobicContact CE3-CZ2 3.83Å; W356-W358 HydrophobicContact CG-CZ2 4.28Å; W356-W358 HydrophobicContact CZ3-CH2 4.45Å; W358-L365 HydrophobicContact CD2-CD1 4.11Å; W358-L365 HydrophobicContact CE3-CB 3.83Å; W358-L365 HydrophobicContact CE3-CD1 3.87Å; W358-L365 HydrophobicContact CE3-CG 4.46Å; W358-L365 HydrophobicContact CH2-CB 4.28Å; W358-L365 HydrophobicContact CH2-CD1 3.8Å; W358-L365 HydrophobicContact CH2-CG 4.42Å; W358-L365 HydrophobicContact CZ2-CD1 4.1Å; W358-L365 HydrophobicContact CZ3-CB 3.53Å; W358-L365 HydrophobicContact CZ3-CD1 3.73Å; W358-L365 HydrophobicContact CZ3-CG 4.11Å
359D96.9Very high96.3Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-86113.9170.1-177.7-34000108.2Y343 Q361 K362 M363 S364 D366Y343-D359 HydrophobicContact CE1-CB 4.33Å; D359-Q361 VanDerWaalsContact C-N 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CA 3.35Å; D359-Q361 VanDerWaalsContact OD1-CB 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.22Å; D359-Q361 PolarHBondContact OD1-N 3.21Å; D359-K362 HydrophobicContact CB-CB 4.19Å; D359-K362 HydrophobicContact CB-CD 4.37Å; D359-K362 HydrophobicContact CB-CG 4.48Å; D359-K362 PolarHBondContact OD1-N 3.13Å; D359-K362 VanDerWaalsContact OD2-CD 3.32Å; D359-K362 WeakPolarHBondContact OD2-CD 3.48Å; D359-K362 VanDerWaalsContact OD2-CE 3.23Å; D359-K362 WeakPolarHBondContact OD2-CE 3.49Å; D359-K362 IonicContact OD2-NZ 3.21Å; D359-K362 PolarHBondContact OD2-NZ 3.42Å; D359-M363 VanDerWaalsContact O-CA 3.27Å; D359-M363 WeakPolarHBondContact O-CA 3.44Å; D359-M363 PolarHBondContact O-N 2.97Å; D359-S364 PolarHBondContact N-O 2.75Å; D359-S364 PolarHBondContact O-N 3.28Å; D359-D366 HydrophobicContact CB-CB 4.02Å
360M96.8Very high96.4Very high4 Ų425 Ų252%0.0213%0.13CC..THydrogen-bonded Turntrans-77.1-18-177.2-63.1-54.8-4900113.1F237 I249 F261 F337 R342 L344 M363F237-M360 HydrophobicContact CD2-CE 4.29Å; F237-M360 HydrophobicContact CG-CE 4.42Å; I249-M360 HydrophobicContact CD1-CE 4.22Å; I249-M360 HydrophobicContact CG1-CE 4.06Å; I249-M360 HydrophobicContact CG2-CE 3.92Å; F261-M360 HydrophobicContact CE2-CE 4.42Å; F261-M360 HydrophobicContact CE2-SD 3.92Å; F261-M360 HydrophobicContact CZ-SD 4.23Å; F337-M360 HydrophobicContact CD1-CG 4.25Å; F337-M360 HydrophobicContact CE1-CE 4.11Å; F337-M360 HydrophobicContact CE1-CG 3.91Å; F337-M360 HydrophobicContact CE1-SD 3.96Å; R342-M360 WeakPolarHBondContact O-CB 3.42Å; R342-M360 PolarHBondContact O-N 2.86Å; L344-M360 HydrophobicContact CB-CG 4.12Å; L344-M360 HydrophobicContact CB-SD 3.66Å; L344-M360 HydrophobicContact CD2-SD 4.12Å; M360-M363 HydrophobicContact CE-CE 4.16Å; M360-M363 HydrophobicContact CE-SD 3.76Å; M360-M363 WeakPolarHBondContact O-CE 3.48Å
361Q95Very high96.4Very high155 Ų15525.1 Ų25.172%0.72413%0.13SC*.THydrogen-bonded Turntrans-78.3-41.7172.8-173.8-178.55.700110.3D359D359-Q361 VanDerWaalsContact C-N 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CA 3.35Å; D359-Q361 VanDerWaalsContact OD1-CB 3.32Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.22Å; D359-Q361 PolarHBondContact OD1-N 3.21Å
362K95.1Very high96.2Very high126 Ų12628 Ų2855%0.54815%0.148SC..THydrogen-bonded Turntrans-84.6-15.8177.9-62.3176-166.1143.90113.4D359 S364D359-K362 HydrophobicContact CB-CB 4.19Å; D359-K362 HydrophobicContact CB-CD 4.37Å; D359-K362 HydrophobicContact CB-CG 4.48Å; D359-K362 PolarHBondContact OD1-N 3.13Å; D359-K362 VanDerWaalsContact OD2-CD 3.32Å; D359-K362 WeakPolarHBondContact OD2-CD 3.48Å; D359-K362 VanDerWaalsContact OD2-CE 3.23Å; D359-K362 WeakPolarHBondContact OD2-CE 3.49Å; D359-K362 IonicContact OD2-NZ 3.21Å; D359-K362 PolarHBondContact OD2-NZ 3.42Å; K362-S364 VanDerWaalsContact C-N 3.28Å; K362-S364 WeakPolarHBondContact CB-OG 3.47Å; K362-S364 PolarHBondContact O-N 2.91Å
363M95.8Very high96.2Very high48 Ų4829 Ų2924%0.23615%0.153CC..THydrogen-bonded Turntrans53.145.6-173-60.3-66.1-175.400111.8F237 V259 D359 M360F237-M363 HydrophobicContact CD1-CE 4.4Å; F237-M363 HydrophobicContact CE1-CE 3.65Å; F237-M363 HydrophobicContact CE2-CE 4.46Å; F237-M363 HydrophobicContact CZ-CE 3.68Å; V259-M363 HydrophobicContact CB-CB 4.32Å; V259-M363 HydrophobicContact CB-SD 4.46Å; V259-M363 HydrophobicContact CG1-CB 4.28Å; V259-M363 HydrophobicContact CG1-CG 4.39Å; V259-M363 HydrophobicContact CG1-SD 3.63Å; V259-M363 HydrophobicContact CG2-CB 4.22Å; D359-M363 VanDerWaalsContact O-CA 3.27Å; D359-M363 WeakPolarHBondContact O-CA 3.44Å; D359-M363 PolarHBondContact O-N 2.97Å; M360-M363 HydrophobicContact CE-CE 4.16Å; M360-M363 HydrophobicContact CE-SD 3.76Å; M360-M363 WeakPolarHBondContact O-CE 3.48Å
364S95.8Very high96.1Very high49 Ų4929.8 Ų29.834%0.34316%0.162SC..EExtended strand (participates in β ladder)trans-145.5160.8-176.566.90000112.2D359 K362 D366D359-S364 PolarHBondContact N-O 2.75Å; D359-S364 PolarHBondContact O-N 3.28Å; K362-S364 VanDerWaalsContact C-N 3.28Å; K362-S364 WeakPolarHBondContact CB-OG 3.47Å; K362-S364 PolarHBondContact O-N 2.91Å; S364-D366 PolarHBondContact O-N 3.4Å
365L96.7Very high96.1Very high22 Ų2230.2 Ų30.212%0.11517%0.165CC..EExtended strand (participates in β ladder)trans-61.8128.9171.6-17456.9000110.4A272 W356 W358 V368A272-L365 HydrophobicContact CB-CB 4.14Å; A272-L365 HydrophobicContact CB-CD2 3.79Å; A272-L365 HydrophobicContact CB-CG 3.6Å; W356-L365 HydrophobicContact CB-CD1 4.46Å; W356-L365 HydrophobicContact CE3-CD1 3.62Å; W356-L365 HydrophobicContact CE3-CD2 3.76Å; W356-L365 HydrophobicContact CE3-CG 4.34Å; W356-L365 HydrophobicContact CZ3-CD1 4.3Å; W356-L365 HydrophobicContact CZ3-CD2 3.53Å; W358-L365 HydrophobicContact CD2-CD1 4.11Å; W358-L365 HydrophobicContact CE3-CB 3.83Å; W358-L365 HydrophobicContact CE3-CD1 3.87Å; W358-L365 HydrophobicContact CE3-CG 4.46Å; W358-L365 HydrophobicContact CH2-CB 4.28Å; W358-L365 HydrophobicContact CH2-CD1 3.8Å; W358-L365 HydrophobicContact CH2-CG 4.42Å; W358-L365 HydrophobicContact CZ2-CD1 4.1Å; W358-L365 HydrophobicContact CZ3-CB 3.53Å; W358-L365 HydrophobicContact CZ3-CD1 3.73Å; W358-L365 HydrophobicContact CZ3-CG 4.11Å; L365-V368 HydrophobicContact CD1-CG2 3.94Å; L365-V368 HydrophobicContact CD2-CG2 3.84Å; L365-V368 HydrophobicContact CG-CG2 4.26Å
366D95.7Very high96Very high32 Ų3238.9 Ų38.917%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-106.2-51.8178.4-177.489.8000111.1A272 I273 V357 D359 S364A272-D366 WeakPolarHBondContact CA-O 3.2Å; I273-D366 PolarHBondContact N-O 2.91Å; V357-D366 WeakPolarHBondContact O-CB 3.49Å; V357-D366 PolarHBondContact O-N 2.74Å; D359-D366 HydrophobicContact CB-CB 4.02Å; S364-D366 PolarHBondContact O-N 3.4Å
367T96.2Very high95.9Very high3 Ų339.9 Ų39.92%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-141.8144.8-176.4-61.50000112I273 Y275 V357 L369 W399I273-T367 CarbonylContact O-C 3.18Å; I273-T367 VanDerWaalsContact O-CA 3.3Å; I273-T367 WeakPolarHBondContact O-CA 3.39Å; Y275-T367 HydrophobicContact CD2-CG2 3.46Å; Y275-T367 VanDerWaalsContact CD2-CG2 3.46Å; Y275-T367 HydrophobicContact CE2-CG2 3.68Å; V357-T367 PolarHBondContact N-O 3.27Å; V357-T367 PolarHBondContact O-N 3.01Å; T367-L369 HydrophobicContact CG2-CD2 3.77Å; T367-L369 HydrophobicContact CG2-CG 4.34Å; T367-W399 PolarHBondContact OG1-NE1 3.14Å
368V97.3Very high95.8Very high0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-120.2130.6165.9-178.50000109.8I267 I273 V274 Y275 I316 W356 L365I267-V368 HydrophobicContact CD1-CB 4.1Å; I267-V368 HydrophobicContact CD1-CG1 4.27Å; I267-V368 HydrophobicContact CD1-CG2 3.68Å; I273-V368 PolarHBondContact O-N 3.35Å; V274-V368 WeakPolarHBondContact CA-O 3.42Å; V274-V368 HydrophobicContact CG1-CB 4.41Å; V274-V368 HydrophobicContact CG2-CB 4.39Å; Y275-V368 PolarHBondContact N-O 3.5Å; I316-V368 HydrophobicContact CD1-CG1 4.04Å; W356-V368 HydrophobicContact CD2-CG1 4.38Å; W356-V368 HydrophobicContact CD2-CG2 3.85Å; W356-V368 HydrophobicContact CE3-CG2 3.46Å; W356-V368 VanDerWaalsContact CE3-CG2 3.46Å; W356-V368 HydrophobicContact CG-CG2 4.5Å; W356-V368 HydrophobicContact CH2-CG2 4.23Å; W356-V368 HydrophobicContact CZ3-CG2 3.65Å; L365-V368 HydrophobicContact CD1-CG2 3.94Å; L365-V368 HydrophobicContact CD2-CG2 3.84Å; L365-V368 HydrophobicContact CG-CG2 4.26Å
369L96.9Very high95.7Very high0 Ų043.4 Ų43.40%022%0.223CC..EExtended strand (participates in β ladder)trans-107.7103.8178.3-52.8176.7000109.3Y275 A354 V355 T367 H371 L387 L389 W399 C404Y275-L369 HydrophobicContact CD2-CD2 3.97Å; Y275-L369 HydrophobicContact CG-CD2 4.34Å; A354-L369 WeakPolarHBondContact CA-O 3.28Å; V355-L369 HydrophobicContact CB-CB 4.34Å; V355-L369 PolarHBondContact N-O 2.95Å; V355-L369 PolarHBondContact O-N 3.42Å; T367-L369 HydrophobicContact CG2-CD2 3.77Å; T367-L369 HydrophobicContact CG2-CG 4.34Å; L369-H371 PolarHBondContact O-ND1 3.31Å; L369-L387 HydrophobicContact CD1-CD2 4.4Å; L369-L389 HydrophobicContact CD1-CD1 3.87Å; L369-L389 HydrophobicContact CD1-CD2 3.87Å; L369-W399 HydrophobicContact CD1-CB 3.83Å; L369-W399 HydrophobicContact CD1-CG 4.19Å; L369-W399 HydrophobicContact CD2-CB 4.42Å; L369-W399 HydrophobicContact CD2-CG 4.34Å; L369-C404 WeakPolarHBondContact CD2-SG 3.36Å
370E96.1Very high95.8Very high11 Ų1144.5 Ų44.55%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-95.8126.1176.3-169.9-168174.600110.1Y275 K276 E277 P317Y275-E370 PolarHBondContact O-N 2.82Å; K276-E370 WeakPolarHBondContact CA-O 3.24Å; K276-E370 HydrophobicContact CB-CB 4.48Å; K276-E370 WeakPolarHBondContact CD-OE2 3.44Å; K276-E370 HydrophobicContact CG-CB 4.41Å; K276-E370 WeakPolarHBondContact CG-OE2 3.32Å; K276-E370 IonicContact NZ-OE1 2.8Å; K276-E370 PolarHBondContact NZ-OE1 3.25Å; K276-E370 IonicContact NZ-OE2 3.18Å; K276-E370 PolarHBondContact NZ-OE2 3.4Å; E277-E370 PolarHBondContact N-O 3.01Å; P317-E370 WeakPolarHBondContact CD-OE1 3.31Å
371H95.1Very high95.7Very high6 Ų644.4 Ų44.43%0.02823%0.227CC..  trans-114.1158.7-179.3-58.177.1000111.5Y307 T353 L369 S373 V375 T391 Y397Y307-H371 AromaticContact CZ-NE2 3.94Å; Y307-H371 PolarHBondContact OH-CD2 2.78Å; Y307-H371 PolarHBondContact OH-NE2 2.87Å; T353-H371 VanDerWaalsContact CB-O 3.3Å; T353-H371 WeakPolarHBondContact CB-O 3.44Å; T353-H371 PolarHBondContact O-N 2.87Å; T353-H371 PolarHBondContact O-ND1 3.26Å; L369-H371 PolarHBondContact O-ND1 3.31Å; H371-S373 VanDerWaalsContact C-N 3.25Å; H371-S373 PolarHBondContact O-N 2.8Å; H371-V375 HydrophobicContact CB-CG2 4.49Å; H371-T391 HydrophobicContact CB-CG2 3.85Å; H371-Y397 AromaticContact CD2-CD1 3.89Å; H371-Y397 AromaticContact CD2-CE1 3.99Å; H371-Y397 AromaticContact CD2-CG 3.88Å; H371-Y397 AromaticContact NE2-CG 3.79Å
372T92.6Very high95.7Very high66 Ų6639.8 Ų39.841%0.40521%0.21SC..SBendtrans-69.9-25176.557.50000113E277E277-T372 HydrophobicContact CB-CG2 4.27Å; E277-T372 HydrophobicContact CG-CG2 4.08Å; E277-T372 WeakPolarHBondContact OE2-CB 3.27Å; E277-T372 WeakPolarHBondContact OE2-CG2 3.19Å; E277-T372 PolarHBondContact OE2-N 3.14Å; E277-T372 PolarHBondContact OE2-OG1 2.71Å
373S93.4Very high95.7Very high52 Ų5241.8 Ų41.836%0.36421%0.214SC..SBendtrans-128.7158.7-176.2-68.20000111.2H371 V375H371-S373 VanDerWaalsContact C-N 3.25Å; H371-S373 PolarHBondContact O-N 2.8Å; S373-V375 PolarHBondContact O-N 3.44Å
374A94.8Very high95.6Very high41 Ų4146.3 Ų46.334%0.33923%0.229SC..  trans-61130.8-179.100000112A352 R376 T391A352-A374 HydrophobicContact CB-CB 3.97Å; A352-A374 CarbonylContact O-C 3.5Å; A352-A374 WeakPolarHBondContact O-CA 3.28Å; A374-R376 PolarHBondContact O-N 2.82Å; A374-T391 WeakPolarHBondContact O-CA 3.45Å
375V96.3Very high95.5Very high10 Ų1045.8 Ų45.86%0.06122%0.224CC..  trans-70125.3179.1-178.40000109.7K347 A352 V355 H371 S373 V378 T391K347-V375 HydrophobicContact CD-CB 4.37Å; A352-V375 PolarHBondContact O-N 3.37Å; V355-V375 HydrophobicContact CG2-CB 4.24Å; V355-V375 HydrophobicContact CG2-CG1 3.9Å; V355-V375 HydrophobicContact CG2-CG2 3.99Å; H371-V375 HydrophobicContact CB-CG2 4.49Å; S373-V375 PolarHBondContact O-N 3.44Å; V375-V378 HydrophobicContact CG1-CG2 3.53Å; V375-T391 HydrophobicContact CG2-CG2 4.28Å
376R94.9Very high95.4Very high182 Ų18246.7 Ų46.769%0.68723%0.226SC*.  trans-95.7-41.9-176.6-64.7-64.4-174.4156.91.6112.2A374 C390A374-R376 PolarHBondContact O-N 2.82Å; R376-C390 PolarHBondContact N-O 3.05Å
377C95.5Very high95.5Very high21 Ų2145.2 Ų45.214%0.14222%0.218CC..EExtended strand (participates in β ladder)trans-142.7143.3-176.5-168.40000110L389 C390 L420C377-L389 VanDerWaalsContact O-CA 3.3Å; C377-L389 WeakPolarHBondContact O-CA 3.42Å; C377-C390 VanDerWaalsContact CB-SG 3.57Å; C377-C390 PolarHBondContact N-O 3.48Å; C377-C390 PolarHBondContact O-N 2.91Å; C377-C390 VanDerWaalsContact O-N 3.11Å; C377-L420 HydrophobicContact CB-CG 4.48Å
378V96.8Very high95.5Very high19 Ų1945 Ų4512%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-137.3125.8176.1-176.60000106.9A345 V355 V375 L387 A388 L389A345-V378 HydrophobicContact CB-CG1 4.28Å; V355-V378 HydrophobicContact CG1-CG1 4.39Å; V355-V378 HydrophobicContact CG2-CG2 3.8Å; V375-V378 HydrophobicContact CG1-CG2 3.53Å; V378-L387 HydrophobicContact CG1-CD1 3.34Å; V378-L387 HydrophobicContact CG1-CD2 3.8Å; V378-L387 HydrophobicContact CG1-CG 3.83Å; V378-A388 WeakPolarHBondContact CA-O 3.18Å; V378-L389 HydrophobicContact CG1-CD2 4.05Å; V378-L389 HydrophobicContact CG1-CG 4.49Å; V378-L389 HydrophobicContact CG2-CD2 4Å
379M97.1Very high95.5Very high64 Ų6445 Ų4532%0.31522%0.217SC..EExtended strand (participates in β ladder)trans-143.6128.9178.6-67.5-167.469.400112.1A388 L420 W422M379-A388 PolarHBondContact N-O 2.81Å; M379-A388 PolarHBondContact O-N 3Å; M379-L420 VanDerWaalsContact SD-C 3.59Å; M379-L420 HydrophobicContact SD-CB 4.24Å; M379-W422 PolarHBondContact O-NE1 3.04Å
380W97.7Very high95.4Very high24 Ų2445 Ų459%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-71.4142168.4-69.5104.7000111.1A336 F337 Y343 A345 V357 L387 W399 W422A336-W380 PolarHBondContact O-NE1 3.22Å; F337-W380 VanDerWaalsContact C-CD1 3.44Å; Y343-W380 HydrophobicContact CG-CH2 4.27Å; A345-W380 HydrophobicContact CB-CZ2 3.7Å; V357-W380 HydrophobicContact CG1-CH2 4.14Å; V357-W380 HydrophobicContact CG1-CZ2 4.4Å; W380-L387 HydrophobicContact CD2-CB 4.33Å; W380-L387 HydrophobicContact CD2-CD1 3.64Å; W380-L387 HydrophobicContact CE3-CB 3.92Å; W380-L387 HydrophobicContact CE3-CD1 4.1Å; W380-L387 HydrophobicContact CG-CD1 3.87Å; W380-L387 HydrophobicContact CH2-CB 4.19Å; W380-L387 HydrophobicContact CZ2-CD1 4.26Å; W380-L387 HydrophobicContact CZ2-CD2 4.47Å; W380-L387 HydrophobicContact CZ3-CB 3.84Å; W380-W399 AromaticContact CH2-CE3 3.83Å; W380-W399 HydrophobicContact CH2-CE3 3.83Å; W380-W399 HydrophobicContact CH2-CH2 4.25Å; W380-W399 AromaticContact CH2-CZ3 3.38Å; W380-W399 HydrophobicContact CH2-CZ3 3.38Å; W380-W399 AromaticContact CZ3-CE3 3.84Å; W380-W399 HydrophobicContact CZ3-CE3 3.84Å; W380-W399 AromaticContact CZ3-CZ3 3.51Å; W380-W399 HydrophobicContact CZ3-CZ3 3.51Å; W380-W422 PolarHBondContact O-NE1 3.21Å
381D96Very high95.4Very high1 Ų144.9 Ų44.91%0.00522%0.217CC..  trans-57.7130.9162.3177.1-31.3000108.7R383 R384 R386 W422D381-R383 PolarHBondContact O-N 2.98Å; D381-R383 PolarHBondContact OD1-N 3.27Å; D381-R384 WeakPolarHBondContact CB-O 3.3Å; D381-R384 PolarHBondContact OD1-N 2.92Å; D381-R384 VanDerWaalsContact OD1-N 3.08Å; D381-R386 HydrophobicContact CB-CB 4.01Å; D381-R386 VanDerWaalsContact CB-O 3.26Å; D381-R386 WeakPolarHBondContact CB-O 3.44Å; D381-R386 PolarHBondContact N-O 2.8Å; D381-R386 IonicContact OD2-CZ 3.05Å; D381-R386 IonicContact OD2-NE 2.7Å; D381-R386 PolarHBondContact OD2-NE 3.15Å; D381-R386 IonicContact OD2-NH2 3.36Å; D381-R386 PolarHBondContact OD2-NH2 3.33Å; D381-W422 HydrophobicContact CB-CD2 4.1Å; D381-W422 HydrophobicContact CB-CE3 4.21Å; D381-W422 HydrophobicContact CB-CH2 4.04Å; D381-W422 HydrophobicContact CB-CZ2 3.85Å; D381-W422 HydrophobicContact CB-CZ3 4.21Å
382P94.8Very high95.2Very high58 Ų5845.4 Ų45.438%0.37722%0.224SC..SBendtrans-70-15-175.327.7-35000113.6S339 W422 H423S339-P382 VanDerWaalsContact CB-O 3.24Å; S339-P382 WeakPolarHBondContact CB-O 3.43Å; P382-W422 HydrophobicContact CG-CB 4.25Å; P382-H423 VanDerWaalsContact CG-O 3.27Å; P382-H423 WeakPolarHBondContact CG-O 3.44Å
383R93.9Very high95.1Very high169 Ų16943.8 Ų43.864%0.63821%0.213SC*.SBendtrans-112.6-37.2-177.2-60.9-57.6-170.7121.90.8112.8S339 D381 C424 S425S339-R383 VanDerWaalsContact OG-C 3.3Å; S339-R383 PolarHBondContact OG-O 2.86Å; D381-R383 PolarHBondContact O-N 2.98Å; D381-R383 PolarHBondContact OD1-N 3.27Å; R383-C424 PolarHBondContact NE-O 2.87Å; R383-S425 VanDerWaalsContact CG-O 3.28Å; R383-S425 WeakPolarHBondContact CG-O 3.34Å
384R93.8Very high95Very high142 Ų14243.4 Ų43.454%0.53621%0.21SC..SBendtrans-118.6155.9-172.7-58.3-179-174.6-174.32.4111.4D381 R386D381-R384 WeakPolarHBondContact CB-O 3.3Å; D381-R384 PolarHBondContact OD1-N 2.92Å; D381-R384 VanDerWaalsContact OD1-N 3.08Å; R384-R386 PolarHBondContact O-N 2.85Å
385P94.4Very high94.8Very high38 Ų3842 Ų4225%0.24720%0.196CC..SBendtrans-75.259.4173.732.6-36.2000111.2Y343 P401Y343-P385 HydrophobicContact CD2-CB 3.87Å; Y343-P385 HydrophobicContact CE2-CB 4.1Å; P385-P401 VanDerWaalsContact O-CD 3.25Å; P385-P401 WeakPolarHBondContact O-CD 3.41Å
386R94.9Very high94.7Very high42 Ų4241.6 Ų41.616%0.15819%0.193CC..  trans-120.3135.4177.9177.6174.557176-1.1108.9D381 R384 W399 W422 G426 M442D381-R386 HydrophobicContact CB-CB 4.01Å; D381-R386 VanDerWaalsContact CB-O 3.26Å; D381-R386 WeakPolarHBondContact CB-O 3.44Å; D381-R386 PolarHBondContact N-O 2.8Å; D381-R386 IonicContact OD2-CZ 3.05Å; D381-R386 IonicContact OD2-NE 2.7Å; D381-R386 PolarHBondContact OD2-NE 3.15Å; D381-R386 IonicContact OD2-NH2 3.36Å; D381-R386 PolarHBondContact OD2-NH2 3.33Å; R384-R386 PolarHBondContact O-N 2.85Å; R386-W399 CarbonylContact C-O 3.58Å; R386-W399 WeakPolarHBondContact CA-O 3.45Å; R386-W399 WeakPolarHBondContact CG-O 3.38Å; R386-W422 HydrophobicContact CG-CH2 4.37Å; R386-W422 VanDerWaalsContact NH2-CZ3 3.35Å; R386-G426 PolarHBondContact NH2-O 2.94Å; R386-M442 VanDerWaalsContact NH1-CG 3.33Å
387L96.8Very high94.6Very high0 Ų032.9 Ų32.90%016%0.161CC..EExtended strand (participates in β ladder)trans-112.3130.8-176.2-172.965.3000109.6A345 V355 V357 L369 V378 W380 L389 L398 W399A345-L387 HydrophobicContact CB-CD1 4.27Å; A345-L387 HydrophobicContact CB-CD2 4.02Å; V355-L387 HydrophobicContact CG1-CD2 4.16Å; V357-L387 HydrophobicContact CG2-CD2 4.26Å; L369-L387 HydrophobicContact CD1-CD2 4.4Å; V378-L387 HydrophobicContact CG1-CD1 3.34Å; V378-L387 HydrophobicContact CG1-CD2 3.8Å; V378-L387 HydrophobicContact CG1-CG 3.83Å; W380-L387 HydrophobicContact CD2-CB 4.33Å; W380-L387 HydrophobicContact CD2-CD1 3.64Å; W380-L387 HydrophobicContact CE3-CB 3.92Å; W380-L387 HydrophobicContact CE3-CD1 4.1Å; W380-L387 HydrophobicContact CG-CD1 3.87Å; W380-L387 HydrophobicContact CH2-CB 4.19Å; W380-L387 HydrophobicContact CZ2-CD1 4.26Å; W380-L387 HydrophobicContact CZ2-CD2 4.47Å; W380-L387 HydrophobicContact CZ3-CB 3.84Å; L387-L389 HydrophobicContact CD2-CD1 4.47Å; L387-L389 HydrophobicContact CD2-CD2 3.86Å; L387-L389 HydrophobicContact CD2-CG 4.25Å; L387-L389 HydrophobicContact CG-CD1 4.39Å; L387-L389 HydrophobicContact CG-CD2 4.29Å; L387-L389 HydrophobicContact CG-CG 4.15Å; L387-L398 CarbonylContact O-C 3.58Å; L387-L398 VanDerWaalsContact O-CA 3.24Å; L387-L398 WeakPolarHBondContact O-CA 3.34Å; L387-W399 HydrophobicContact CB-CB 4.27Å; L387-W399 HydrophobicContact CB-CE3 4.05Å; L387-W399 PolarHBondContact N-O 2.91Å; L387-W399 PolarHBondContact O-N 3.07Å
388A97.1Very high94.6Very high0 Ų032.2 Ų32.20%016%0.155CC..EExtended strand (participates in β ladder)trans-106.7138.8169.900000111V378 M379 L396 Y397 L398 L420 W422V378-A388 WeakPolarHBondContact CA-O 3.18Å; M379-A388 PolarHBondContact N-O 2.81Å; M379-A388 PolarHBondContact O-N 3Å; A388-L396 HydrophobicContact CB-CD1 4.26Å; A388-Y397 CarbonylContact C-O 3.53Å; A388-Y397 WeakPolarHBondContact CA-O 3.4Å; A388-L398 HydrophobicContact CB-CD2 3.57Å; A388-L420 HydrophobicContact CB-CD1 3.89Å; A388-W422 HydrophobicContact CB-CH2 4.47Å; A388-W422 HydrophobicContact CB-CZ2 3.47Å; A388-W422 VanDerWaalsContact CB-CZ2 3.47Å
389L96.7Very high94.6Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-137.6152.6-177.8-31.294.7000111.2V355 L369 C377 V378 L387 Y397V355-L389 HydrophobicContact CB-CD2 3.91Å; V355-L389 HydrophobicContact CG1-CD2 3.9Å; V355-L389 HydrophobicContact CG2-CD2 3.73Å; L369-L389 HydrophobicContact CD1-CD1 3.87Å; L369-L389 HydrophobicContact CD1-CD2 3.87Å; C377-L389 VanDerWaalsContact O-CA 3.3Å; C377-L389 WeakPolarHBondContact O-CA 3.42Å; V378-L389 HydrophobicContact CG1-CD2 4.05Å; V378-L389 HydrophobicContact CG1-CG 4.49Å; V378-L389 HydrophobicContact CG2-CD2 4Å; L387-L389 HydrophobicContact CD2-CD1 4.47Å; L387-L389 HydrophobicContact CD2-CD2 3.86Å; L387-L389 HydrophobicContact CD2-CG 4.25Å; L387-L389 HydrophobicContact CG-CD1 4.39Å; L387-L389 HydrophobicContact CG-CD2 4.29Å; L387-L389 HydrophobicContact CG-CG 4.15Å; L389-Y397 PolarHBondContact N-O 3.28Å; L389-Y397 PolarHBondContact O-N 2.65Å
390C95.5Very high94.5Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-140.8150.3170.9740000111.7R376 C377 V417 L420R376-C390 PolarHBondContact N-O 3.05Å; C377-C390 VanDerWaalsContact CB-SG 3.57Å; C377-C390 PolarHBondContact N-O 3.48Å; C377-C390 PolarHBondContact O-N 2.91Å; C377-C390 VanDerWaalsContact O-N 3.11Å; C390-V417 HydrophobicContact CB-CB 3.96Å; C390-V417 HydrophobicContact CB-CG1 3.56Å; C390-V417 PolarHBondContact SG-O 2.94Å; C390-L420 HydrophobicContact CB-CD1 4.2Å; C390-L420 HydrophobicContact CB-CD2 4.26Å; C390-L420 HydrophobicContact CB-CG 4.23Å
391T94.6Very high94.1Very high7 Ų732.5 Ų32.54%0.04317%0.167CC..  trans-114.84.4-175.9590000113.2H371 A374 V375 N393 Y397H371-T391 HydrophobicContact CB-CG2 3.85Å; A374-T391 WeakPolarHBondContact O-CA 3.45Å; V375-T391 HydrophobicContact CG2-CG2 4.28Å; T391-N393 PolarHBondContact OG1-ND2 2.71Å; T391-N393 PolarHBondContact OG1-OD1 2.76Å; T391-Y397 HydrophobicContact CG2-CD2 4.33Å; T391-Y397 HydrophobicContact CG2-CE2 3.81Å
392G92.2Very high93.8Very high17 Ų1736.2 Ų36.218%0.17521%0.205CC..SBendtrans87.16-174.800000114.3Q416 V417G392-Q416 WeakPolarHBondContact O-CB 3.43Å; G392-Q416 WeakPolarHBondContact O-CG 3.48Å; G392-V417 WeakPolarHBondContact CA-O 3.26Å; G392-V417 PolarHBondContact N-O 3.37Å
393N91Very high93.6Very high33 Ų3334.2 Ų34.218%0.17619%0.194CC..SBendtrans-93.9-172.4168.866.49.4000110.7T391 K395 Y397 V417T391-N393 PolarHBondContact OG1-ND2 2.71Å; T391-N393 PolarHBondContact OG1-OD1 2.76Å; N393-K395 PolarHBondContact O-N 2.9Å; N393-K395 WeakPolarHBondContact OD1-CB 3.28Å; N393-K395 PolarHBondContact OD1-N 3.35Å; N393-K395 PolarHBondContact OD1-O 3.12Å; N393-Y397 PolarHBondContact ND2-OH 3.15Å; N393-V417 PolarHBondContact O-N 3.16Å
394S90.4Very high93.5Very high43 Ų4327.5 Ų27.530%0.30117%0.173SC..SBendtrans-85.225.3179.552.40000113.4Q408 V409 F415S394-Q408 VanDerWaalsContact CB-NE2 3.28Å; S394-Q408 PolarHBondContact O-NE2 3.49Å; S394-Q408 PolarHBondContact OG-NE2 3.24Å; S394-V409 WeakPolarHBondContact O-CB 3.38Å; S394-V409 WeakPolarHBondContact O-CG2 3.43Å; S394-V409 PolarHBondContact O-N 2.99Å; S394-F415 VanDerWaalsContact CA-O 3.3Å; S394-F415 WeakPolarHBondContact CA-O 3.31Å; S394-F415 WeakPolarHBondContact CB-O 3.35Å
395K90.6Very high93.3Very high13 Ų1323.8 Ų23.86%0.05717%0.166CC..EExtended strand (participates in β ladder)trans-121.1147.5-176.4-58.4179.5-178.2177.20111.6D279 T303 S305 N393 Y397 V407D279-K395 IonicContact OD1-NZ 3.05Å; D279-K395 PolarHBondContact OD1-NZ 2.95Å; T303-K395 PolarHBondContact O-NZ 2.82Å; T303-K395 VanDerWaalsContact O-NZ 3.12Å; S305-K395 WeakPolarHBondContact OG-CD 3.32Å; S305-K395 WeakPolarHBondContact OG-CE 3.36Å; S305-K395 PolarHBondContact OG-NZ 2.81Å; N393-K395 PolarHBondContact O-N 2.9Å; N393-K395 WeakPolarHBondContact OD1-CB 3.28Å; N393-K395 PolarHBondContact OD1-N 3.35Å; N393-K395 PolarHBondContact OD1-O 3.12Å; K395-Y397 HydrophobicContact CB-CE2 4.04Å; K395-V407 CarbonylContact C-O 3.59Å; K395-V407 VanDerWaalsContact CA-O 3.32Å; K395-V407 WeakPolarHBondContact CA-O 3.46Å
396L93.3Very high93.2Very high0 Ų023.1 Ų23.10%016%0.162CC..EExtended strand (participates in β ladder)trans-107.1130.8167.1174.765.5000108.3A388 L398 V407 L420 L431 C440 M442A388-L396 HydrophobicContact CB-CD1 4.26Å; L396-L398 HydrophobicContact CD1-CD2 4.35Å; L396-L398 HydrophobicContact CD2-CD2 4.23Å; L396-L398 HydrophobicContact CD2-CG 4.49Å; L396-L398 HydrophobicContact CG-CD2 4.18Å; L396-L398 HydrophobicContact CG-CG 4.4Å; L396-V407 PolarHBondContact N-O 2.98Å; L396-V407 PolarHBondContact O-N 3.08Å; L396-L420 HydrophobicContact CD1-CD1 4.14Å; L396-L420 HydrophobicContact CD1-CD2 3.78Å; L396-L431 HydrophobicContact CD1-CD2 3.87Å; L396-L431 HydrophobicContact CD2-CD2 4.14Å; L396-L431 HydrophobicContact CG-CD2 4.41Å; L396-C440 HydrophobicContact CD2-CB 4.16Å; L396-M442 HydrophobicContact CD2-CE 4.38Å
397Y94.8Very high92.9Very high0 Ų022.4 Ų22.40%016%0.163CC..EExtended strand (participates in β ladder)trans-108.1137.7175.2-55.3-87.2000109.2E277 Y307 H371 A388 L389 T391 N393 K395 V405E277-Y397 HydrophobicContact CG-CE1 4.15Å; E277-Y397 VanDerWaalsContact OE1-CE1 3.23Å; E277-Y397 WeakPolarHBondContact OE1-CE1 3.5Å; E277-Y397 VanDerWaalsContact OE1-CZ 3.26Å; E277-Y397 PolarHBondContact OE1-OH 3.35Å; E277-Y397 PolarHBondContact OE2-OH 2.76Å; Y307-Y397 AromaticContact CE2-CD1 3.76Å; Y307-Y397 HydrophobicContact CE2-CD1 3.76Å; Y307-Y397 AromaticContact CZ-CD1 3.68Å; Y307-Y397 WeakPolarHBondContact OH-CB 3.45Å; Y307-Y397 WeakPolarHBondContact OH-CD1 3.41Å; H371-Y397 AromaticContact CD2-CD1 3.89Å; H371-Y397 AromaticContact CD2-CE1 3.99Å; H371-Y397 AromaticContact CD2-CG 3.88Å; H371-Y397 AromaticContact NE2-CG 3.79Å; A388-Y397 CarbonylContact C-O 3.53Å; A388-Y397 WeakPolarHBondContact CA-O 3.4Å; L389-Y397 PolarHBondContact N-O 3.28Å; L389-Y397 PolarHBondContact O-N 2.65Å; T391-Y397 HydrophobicContact CG2-CD2 4.33Å; T391-Y397 HydrophobicContact CG2-CE2 3.81Å; N393-Y397 PolarHBondContact ND2-OH 3.15Å; K395-Y397 HydrophobicContact CB-CE2 4.04Å; Y397-V405 WeakPolarHBondContact CA-O 3.42Å
398L95.2Very high92.6Very high6 Ų626 Ų263%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-127.8141.3174.8-57.2177000110.3M1 L387 A388 L396 C404 V405 W422 M442M1-L398 HydrophobicContact CE-CD1 3.21Å; M1-L398 HydrophobicContact SD-CD1 3.99Å; L387-L398 CarbonylContact O-C 3.58Å; L387-L398 VanDerWaalsContact O-CA 3.24Å; L387-L398 WeakPolarHBondContact O-CA 3.34Å; A388-L398 HydrophobicContact CB-CD2 3.57Å; L396-L398 HydrophobicContact CD1-CD2 4.35Å; L396-L398 HydrophobicContact CD2-CD2 4.23Å; L396-L398 HydrophobicContact CD2-CG 4.49Å; L396-L398 HydrophobicContact CG-CD2 4.18Å; L396-L398 HydrophobicContact CG-CG 4.4Å; L398-C404 CarbonylContact O-C 3.51Å; L398-C404 VanDerWaalsContact O-CA 3.29Å; L398-C404 WeakPolarHBondContact O-CA 3.38Å; L398-V405 HydrophobicContact CB-CG1 3.83Å; L398-V405 HydrophobicContact CD1-CG1 4.2Å; L398-V405 HydrophobicContact CG-CG1 4.38Å; L398-V405 PolarHBondContact N-O 2.82Å; L398-V405 PolarHBondContact O-N 2.86Å; L398-W422 HydrophobicContact CD2-CH2 4.42Å; L398-W422 HydrophobicContact CD2-CZ2 4.39Å; L398-M442 HydrophobicContact CD1-CE 3.7Å; L398-M442 HydrophobicContact CD1-SD 3.74Å; L398-M442 HydrophobicContact CD2-CE 4.01Å
399W96.1Very high92.2Very high3 Ų326.3 Ų26.31%0.01118%0.181CC..EExtended strand (participates in β ladder)trans-123.6143.5169.4171.792.2000109.9Y343 V357 T367 L369 W380 R386 L387 P401Y343-W399 AromaticContact CD1-CH2 3.77Å; Y343-W399 HydrophobicContact CD1-CH2 3.77Å; Y343-W399 HydrophobicContact CD2-CH2 4.14Å; Y343-W399 HydrophobicContact CD2-CZ3 4.43Å; Y343-W399 AromaticContact CE1-CH2 3.82Å; Y343-W399 HydrophobicContact CE1-CH2 3.82Å; Y343-W399 HydrophobicContact CE1-CZ2 4.43Å; Y343-W399 HydrophobicContact CE2-CH2 4.2Å; Y343-W399 AromaticContact CG-CH2 3.92Å; Y343-W399 HydrophobicContact CG-CH2 3.92Å; Y343-W399 HydrophobicContact CG-CZ3 4.35Å; V357-W399 HydrophobicContact CB-CZ2 4.41Å; V357-W399 HydrophobicContact CG1-CH2 3.63Å; V357-W399 HydrophobicContact CG1-CZ2 3.78Å; V357-W399 HydrophobicContact CG1-CZ3 4.07Å; V357-W399 HydrophobicContact CG2-CD2 4.48Å; T367-W399 PolarHBondContact OG1-NE1 3.14Å; L369-W399 HydrophobicContact CD1-CB 3.83Å; L369-W399 HydrophobicContact CD1-CG 4.19Å; L369-W399 HydrophobicContact CD2-CB 4.42Å; L369-W399 HydrophobicContact CD2-CG 4.34Å; W380-W399 AromaticContact CH2-CE3 3.83Å; W380-W399 HydrophobicContact CH2-CE3 3.83Å; W380-W399 HydrophobicContact CH2-CH2 4.25Å; W380-W399 AromaticContact CH2-CZ3 3.38Å; W380-W399 HydrophobicContact CH2-CZ3 3.38Å; W380-W399 AromaticContact CZ3-CE3 3.84Å; W380-W399 HydrophobicContact CZ3-CE3 3.84Å; W380-W399 AromaticContact CZ3-CZ3 3.51Å; W380-W399 HydrophobicContact CZ3-CZ3 3.51Å; R386-W399 CarbonylContact C-O 3.58Å; R386-W399 WeakPolarHBondContact CA-O 3.45Å; R386-W399 WeakPolarHBondContact CG-O 3.38Å; L387-W399 HydrophobicContact CB-CB 4.27Å; L387-W399 HydrophobicContact CB-CE3 4.05Å; L387-W399 PolarHBondContact N-O 2.91Å; L387-W399 PolarHBondContact O-N 3.07Å; W399-P401 HydrophobicContact CH2-CG 4.1Å; W399-P401 HydrophobicContact CZ3-CG 4.46Å
400S94Very high91.4Very high42 Ų4230.7 Ų30.729%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-141.6169.116569.80000108.4G402 G403S400-G402 PolarHBondContact O-N 3.12Å; S400-G402 PolarHBondContact OG-N 3.04Å; S400-G403 PolarHBondContact N-O 3.09Å; S400-G403 PolarHBondContact O-N 2.79Å; S400-G403 VanDerWaalsContact O-O 3.13Å; S400-G403 PolarHBondContact OG-O 2.72Å
401P90.8Very high90.2Very high69 Ų6931.6 Ų31.645%0.44822%0.218SC..THydrogen-bonded Turntrans-55.6-21.5170.6-27.335.7000113.8Y343 P385 W399Y343-P401 HydrophobicContact CE2-CG 3.66Å; Y343-P401 WeakPolarHBondContact OH-CG 3.23Å; P385-P401 VanDerWaalsContact O-CD 3.25Å; P385-P401 WeakPolarHBondContact O-CD 3.41Å; W399-P401 HydrophobicContact CH2-CG 4.1Å; W399-P401 HydrophobicContact CZ3-CG 4.46Å
402G89.6Confident88.8Confident78 Ų7840.7 Ų40.780%0.80426%0.259SS*.THydrogen-bonded Turntrans-81.4-11175.500000115S400S400-G402 PolarHBondContact O-N 3.12Å; S400-G402 PolarHBondContact OG-N 3.04Å
403G89.8Confident87.5Confident16 Ų1643 Ų4317%0.16528%0.284CS..EExtended strand (participates in β ladder)trans137.5-171.2178.800000114.5S400S400-G403 PolarHBondContact N-O 3.09Å; S400-G403 PolarHBondContact O-N 2.79Å; S400-G403 VanDerWaalsContact O-O 3.13Å; S400-G403 PolarHBondContact OG-O 2.72Å
404C91.6Very high86.8Confident29 Ų2946.7 Ų46.720%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-115.8148.6-178.4-56.80000112.6Y275 Y307 L369 L398Y275-C404 HydrophobicContact CD1-CB 4Å; Y275-C404 WeakPolarHBondContact CD2-SG 3.5Å; Y275-C404 HydrophobicContact CE1-CB 4.33Å; Y275-C404 HydrophobicContact CG-CB 4.16Å; Y307-C404 HydrophobicContact CD1-CB 4.38Å; Y307-C404 HydrophobicContact CD2-CB 3.35Å; Y307-C404 HydrophobicContact CE2-CB 3.73Å; Y307-C404 HydrophobicContact CG-CB 3.68Å; L369-C404 WeakPolarHBondContact CD2-SG 3.36Å; L398-C404 CarbonylContact O-C 3.51Å; L398-C404 VanDerWaalsContact O-CA 3.29Å; L398-C404 WeakPolarHBondContact O-CA 3.38Å
405V90.9Very high86.6Confident63 Ų6344.9 Ų44.938%0.38230%0.298SS..EExtended strand (participates in β ladder)trans-140.2143.7170.764.20000110.8M1 Y397 L398 V407M1-V405 HydrophobicContact CE-CG1 4.31Å; Y397-V405 WeakPolarHBondContact CA-O 3.42Å; L398-V405 HydrophobicContact CB-CG1 3.83Å; L398-V405 HydrophobicContact CD1-CG1 4.2Å; L398-V405 HydrophobicContact CG-CG1 4.38Å; L398-V405 PolarHBondContact N-O 2.82Å; L398-V405 PolarHBondContact O-N 2.86Å; V405-V407 HydrophobicContact CG1-CG2 4.46Å; V405-V407 HydrophobicContact CG2-CG2 4.01Å
406S91.4Very high86.7Confident24 Ų2449 Ų4917%0.16832%0.318CS..EExtended strand (participates in β ladder)trans-112.1130170.340.60000108.7S305S305-S406 PolarHBondContact O-OG 3.16Å
407V89.5Confident86.7Confident27 Ų2749 Ų4916%0.16432%0.318CS..EExtended strand (participates in β ladder)trans-124.5126-176.1-172.50000109.4M1 F3 K395 L396 V405M1-V407 HydrophobicContact CE-CG2 4.18Å; M1-V407 HydrophobicContact SD-CB 4.46Å; M1-V407 HydrophobicContact SD-CG1 4.4Å; M1-V407 HydrophobicContact SD-CG2 3.75Å; F3-V407 HydrophobicContact CE2-CG1 3.84Å; F3-V407 HydrophobicContact CZ-CG1 3.65Å; K395-V407 CarbonylContact C-O 3.59Å; K395-V407 VanDerWaalsContact CA-O 3.32Å; K395-V407 WeakPolarHBondContact CA-O 3.46Å; L396-V407 PolarHBondContact N-O 2.98Å; L396-V407 PolarHBondContact O-N 3.08Å; V405-V407 HydrophobicContact CG1-CG2 4.46Å; V405-V407 HydrophobicContact CG2-CG2 4.01Å
408Q88.8Confident86.7Confident77 Ų7752.4 Ų52.436%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-75.6127.7175.6-175.860.444.200109.7S394S394-Q408 VanDerWaalsContact CB-NE2 3.28Å; S394-Q408 PolarHBondContact O-NE2 3.49Å; S394-Q408 PolarHBondContact OG-NE2 3.24Å
409V88.8Confident86.7Confident5 Ų553.5 Ų53.53%0.0334%0.342CS..  trans-78.3122176.2-175.10000108.7F3 S394 A411 F415 V417 L431F3-V409 HydrophobicContact CD1-CG1 4.11Å; F3-V409 HydrophobicContact CE1-CB 4.33Å; F3-V409 HydrophobicContact CE1-CG1 4.11Å; F3-V409 HydrophobicContact CE1-CG2 4.04Å; S394-V409 WeakPolarHBondContact O-CB 3.38Å; S394-V409 WeakPolarHBondContact O-CG2 3.43Å; S394-V409 PolarHBondContact O-N 2.99Å; V409-A411 HydrophobicContact CG1-CB 4.35Å; V409-A411 PolarHBondContact O-N 3.47Å; V409-F415 HydrophobicContact CB-CD1 4.38Å; V409-F415 HydrophobicContact CG1-CD1 3.83Å; V409-F415 HydrophobicContact CG1-CE1 4.09Å; V409-V417 HydrophobicContact CG2-CG2 3.89Å; V409-L431 HydrophobicContact CG1-CD1 4.16Å; V409-L431 HydrophobicContact CG2-CD1 3.52Å
410P80.6Confident86.6Confident92 Ų9253.5 Ų53.560%0.59734%0.342SS*.  trans-83.948.8-172.936.5-37.6000112.1F3F3-P410 HydrophobicContact CB-CG 3.68Å; F3-P410 HydrophobicContact CD2-CG 3.5Å; F3-P410 HydrophobicContact CE2-CG 4.24Å; F3-P410 HydrophobicContact CG-CG 3.67Å
411A71.1Confident86.7Confident20 Ų2053.6 Ų53.617%0.16534%0.337CS..  trans-88.6134.5179.600000111.1V6 V409 G413 F415V6-A411 HydrophobicContact CG2-CB 3.98Å; V409-A411 HydrophobicContact CG1-CB 4.35Å; V409-A411 PolarHBondContact O-N 3.47Å; A411-G413 PolarHBondContact O-N 3.13Å; A411-F415 HydrophobicContact CB-CB 3.41Å; A411-F415 VanDerWaalsContact CB-CB 3.41Å; A411-F415 HydrophobicContact CB-CD1 4.36Å; A411-F415 HydrophobicContact CB-CG 4Å
412E63.9Low86.9Confident197 Ų19751.4 Ų51.492%0.92132%0.32SS*.SBendtrans-64.6115.8170.4-66.6-175.4172.300109.7
413G66.1Low87.1Confident67 Ų6748.4 Ų48.469%0.69129%0.285SS*.SBendtrans97.5-168.3-176.800000114.6A411 F415A411-G413 PolarHBondContact O-N 3.13Å; G413-F415 VanDerWaalsContact C-N 3.33Å; G413-F415 PolarHBondContact O-N 3.06Å; G413-F415 VanDerWaalsContact O-N 3.11Å
414S75.2Confident87.2Confident109 Ų10949.9 Ų49.976%0.76229%0.292SS*.  trans-87.660.7-17566.90000112.6Q416S414-Q416 PolarHBondContact O-N 2.53Å
415F87.6Confident87.2Confident5 Ų550.1 Ų50.12%0.02230%0.295CS..  trans-68.3117.8173.4-176.2-105000110.2S394 V409 A411 G413 V417 L431 Q436 C438S394-F415 VanDerWaalsContact CA-O 3.3Å; S394-F415 WeakPolarHBondContact CA-O 3.31Å; S394-F415 WeakPolarHBondContact CB-O 3.35Å; V409-F415 HydrophobicContact CB-CD1 4.38Å; V409-F415 HydrophobicContact CG1-CD1 3.83Å; V409-F415 HydrophobicContact CG1-CE1 4.09Å; A411-F415 HydrophobicContact CB-CB 3.41Å; A411-F415 VanDerWaalsContact CB-CB 3.41Å; A411-F415 HydrophobicContact CB-CD1 4.36Å; A411-F415 HydrophobicContact CB-CG 4Å; G413-F415 VanDerWaalsContact C-N 3.33Å; G413-F415 PolarHBondContact O-N 3.06Å; G413-F415 VanDerWaalsContact O-N 3.11Å; F415-V417 HydrophobicContact CD1-CG2 4.2Å; F415-V417 HydrophobicContact CE1-CG2 3.86Å; F415-L431 HydrophobicContact CE1-CB 4.04Å; F415-L431 HydrophobicContact CZ-CB 4.2Å; F415-Q436 HydrophobicContact CD2-CB 3.92Å; F415-Q436 HydrophobicContact CE2-CB 3.73Å; F415-C438 HydrophobicContact CE1-CB 4.4Å; F415-C438 HydrophobicContact CZ-CB 4.26Å
416Q91.4Very high87.2Confident101 Ų10147.2 Ų47.247%0.47228%0.277SS..  trans-109.4122.5178.8-73.3-178.4-9.600109.7G392 S414 Q418 G433G392-Q416 WeakPolarHBondContact O-CB 3.43Å; G392-Q416 WeakPolarHBondContact O-CG 3.48Å; S414-Q416 PolarHBondContact O-N 2.53Å; Q416-Q418 PolarHBondContact O-N 2.83Å; Q416-G433 WeakPolarHBondContact O-CA 3.44Å
417V93.9Very high87.2Confident0 Ų048.9 Ų48.90%028%0.284CS..  trans-79103179.9-170.20000109.3C390 G392 N393 V409 F415 L420 L431C390-V417 HydrophobicContact CB-CB 3.96Å; C390-V417 HydrophobicContact CB-CG1 3.56Å; C390-V417 PolarHBondContact SG-O 2.94Å; G392-V417 WeakPolarHBondContact CA-O 3.26Å; G392-V417 PolarHBondContact N-O 3.37Å; N393-V417 PolarHBondContact O-N 3.16Å; V409-V417 HydrophobicContact CG2-CG2 3.89Å; F415-V417 HydrophobicContact CD1-CG2 4.2Å; F415-V417 HydrophobicContact CE1-CG2 3.86Å; V417-L420 HydrophobicContact CG1-CD2 3.59Å; V417-L431 HydrophobicContact CG1-CB 4.16Å; V417-L431 HydrophobicContact CG1-CD2 4.23Å; V417-L431 HydrophobicContact CG2-CB 4.48Å; V417-L431 HydrophobicContact CG2-CD1 4.39Å
418Q93.9Very high87.3Confident70 Ų7047.8 Ų47.833%0.32728%0.278SS..  trans-95.4-29.7-177.9-66.1-175.2-11.800112.8Q416 L432Q416-Q418 PolarHBondContact O-N 2.83Å; Q418-L432 PolarHBondContact N-O 3.16Å
419S94.9Very high87.6Confident30 Ų3044.1 Ų44.121%0.2126%0.261CS..EExtended strand (participates in β ladder)trans-149.1161.3179.8-176.80000110.5L432S419-L432 PolarHBondContact N-O 2.67Å; S419-L432 VanDerWaalsContact N-O 3.09Å; S419-L432 PolarHBondContact O-N 2.84Å
420L95.9Very high87.9Confident2 Ų244 Ų441%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-127.1153.1-177.2-58.4174000108.9C377 M379 A388 C390 L396 V417 V429 I430 L431C377-L420 HydrophobicContact CB-CG 4.48Å; M379-L420 VanDerWaalsContact SD-C 3.59Å; M379-L420 HydrophobicContact SD-CB 4.24Å; A388-L420 HydrophobicContact CB-CD1 3.89Å; C390-L420 HydrophobicContact CB-CD1 4.2Å; C390-L420 HydrophobicContact CB-CD2 4.26Å; C390-L420 HydrophobicContact CB-CG 4.23Å; L396-L420 HydrophobicContact CD1-CD1 4.14Å; L396-L420 HydrophobicContact CD1-CD2 3.78Å; V417-L420 HydrophobicContact CG1-CD2 3.59Å; L420-V429 HydrophobicContact CB-CG1 4.22Å; L420-V429 HydrophobicContact CD2-CG1 4.13Å; L420-I430 CarbonylContact C-O 3.56Å; L420-I430 WeakPolarHBondContact CA-O 3.34Å; L420-L431 HydrophobicContact CD2-CD2 3.27Å
421K95.1Very high88.6Confident44 Ų4439.6 Ų39.619%0.19123%0.231CC..EExtended strand (participates in β ladder)trans-144.3120.2165.4-68.2-177.4177.1157.40109.5H12 C14 I430 L432H12-K421 PolarHBondContact O-NZ 3.3Å; H12-K421 VanDerWaalsContact O-NZ 3.14Å; C14-K421 WeakPolarHBondContact O-CD 3.37Å; C14-K421 PolarHBondContact O-NZ 2.88Å; K421-I430 HydrophobicContact CB-CB 4.33Å; K421-I430 PolarHBondContact N-O 2.7Å; K421-I430 PolarHBondContact O-N 2.87Å; K421-L432 HydrophobicContact CD-CD1 3.98Å; K421-L432 HydrophobicContact CG-CD1 4.1Å
422W95.2Very high89.8Confident23 Ų2338.6 Ų38.69%0.08722%0.223CC..EExtended strand (participates in β ladder)trans-70.2144172.9-76.698.6000111.4M379 W380 D381 P382 R386 A388 L398 G426 V429 M442M379-W422 PolarHBondContact O-NE1 3.04Å; W380-W422 PolarHBondContact O-NE1 3.21Å; D381-W422 HydrophobicContact CB-CD2 4.1Å; D381-W422 HydrophobicContact CB-CE3 4.21Å; D381-W422 HydrophobicContact CB-CH2 4.04Å; D381-W422 HydrophobicContact CB-CZ2 3.85Å; D381-W422 HydrophobicContact CB-CZ3 4.21Å; P382-W422 HydrophobicContact CG-CB 4.25Å; R386-W422 HydrophobicContact CG-CH2 4.37Å; R386-W422 VanDerWaalsContact NH2-CZ3 3.35Å; A388-W422 HydrophobicContact CB-CH2 4.47Å; A388-W422 HydrophobicContact CB-CZ2 3.47Å; A388-W422 VanDerWaalsContact CB-CZ2 3.47Å; L398-W422 HydrophobicContact CD2-CH2 4.42Å; L398-W422 HydrophobicContact CD2-CZ2 4.39Å; W422-G426 WeakPolarHBondContact CZ3-O 3.42Å; W422-V429 HydrophobicContact CD2-CG2 3.57Å; W422-V429 HydrophobicContact CE3-CG2 3.31Å; W422-V429 HydrophobicContact CG-CG2 4.43Å; W422-V429 HydrophobicContact CH2-CG2 3.48Å; W422-V429 VanDerWaalsContact CH2-CG2 3.48Å; W422-V429 HydrophobicContact CZ2-CG2 3.78Å; W422-V429 HydrophobicContact CZ3-CG2 3.23Å; W422-M442 HydrophobicContact CH2-CE 3.81Å; W422-M442 HydrophobicContact CZ3-CE 4Å; W422-M442 HydrophobicContact CZ3-CG 4.5Å
423H94.4Very high91.1Very high16 Ų1629.3 Ų29.37%0.07418%0.18CC..  trans-67.5147.4160.9-172.8-104000110.4G20 L36 P382 S425 G426 S428G20-H423 WeakPolarHBondContact CA-NE2 3.5Å; G20-H423 PolarHBondContact O-NE2 3.02Å; L36-H423 WeakPolarHBondContact CD2-CD2 3.33Å; L36-H423 WeakPolarHBondContact CD2-NE2 3.21Å; P382-H423 VanDerWaalsContact CG-O 3.27Å; P382-H423 WeakPolarHBondContact CG-O 3.44Å; H423-S425 PolarHBondContact CE1-OG 2.85Å; H423-S425 WeakPolarHBondContact ND1-CB 3.2Å; H423-S425 PolarHBondContact ND1-N 3.02Å; H423-S425 PolarHBondContact ND1-OG 2.84Å; H423-S425 PolarHBondContact O-N 3.16Å; H423-G426 PolarHBondContact O-N 2.84Å; H423-S428 VanDerWaalsContact CB-O 3.26Å; H423-S428 WeakPolarHBondContact CB-O 3.47Å; H423-S428 WeakPolarHBondContact CB-OG 3.35Å; H423-S428 PolarHBondContact N-O 2.86Å
424C91.3Very high92.2Very high46 Ų4632.8 Ų32.831%0.31118%0.176SC..THydrogen-bonded Turntrans-66.1-19.3-175.4630000114G20 R383G20-C424 WeakPolarHBondContact CA-SG 3.34Å; R383-C424 PolarHBondContact NE-O 2.87Å
425S90.9Very high92.9Very high35 Ų3531.7 Ų31.725%0.24516%0.162CC..THydrogen-bonded Turntrans-81.4-18.5171.276.70000113.7R383 H423 D427R383-S425 VanDerWaalsContact CG-O 3.28Å; R383-S425 WeakPolarHBondContact CG-O 3.34Å; H423-S425 PolarHBondContact CE1-OG 2.85Å; H423-S425 WeakPolarHBondContact ND1-CB 3.2Å; H423-S425 PolarHBondContact ND1-N 3.02Å; H423-S425 PolarHBondContact ND1-OG 2.84Å; H423-S425 PolarHBondContact O-N 3.16Å; S425-D427 VanDerWaalsContact C-N 3.3Å; S425-D427 VanDerWaalsContact CB-OD2 3.23Å; S425-D427 WeakPolarHBondContact CB-OD2 3.11Å; S425-D427 VanDerWaalsContact OG-CG 3.27Å; S425-D427 PolarHBondContact OG-N 3.3Å; S425-D427 PolarHBondContact OG-OD2 2.69Å
426G91.1Very high93.1Very high1 Ų135.2 Ų35.21%0.0118%0.178CC..SBendtrans82.1-2.6-172.700000114.6R386 W422 H423 S428R386-G426 PolarHBondContact NH2-O 2.94Å; W422-G426 WeakPolarHBondContact CZ3-O 3.42Å; H423-G426 PolarHBondContact O-N 2.84Å; G426-S428 VanDerWaalsContact C-N 3.34Å; G426-S428 PolarHBondContact O-N 3.13Å
427D91.1Very high93.2Very high60 Ų6030.4 Ų30.432%0.32116%0.156SC..SBendtrans-81.8-15.3-174.8-54-47000113.6S425 M442S425-D427 VanDerWaalsContact C-N 3.3Å; S425-D427 VanDerWaalsContact CB-OD2 3.23Å; S425-D427 WeakPolarHBondContact CB-OD2 3.11Å; S425-D427 VanDerWaalsContact OG-CG 3.27Å; S425-D427 PolarHBondContact OG-N 3.3Å; S425-D427 PolarHBondContact OG-OD2 2.69Å; D427-M442 VanDerWaalsContact O-CB 3.3Å; D427-M442 WeakPolarHBondContact O-CB 3.45Å; D427-M442 WeakPolarHBondContact O-CG 3.36Å; D427-M442 PolarHBondContact O-N 3.47Å
428S93.3Very high93.2Very high4 Ų430.5 Ų30.53%0.02816%0.157CC..EExtended strand (participates in β ladder)trans-143.8157179.163.40000112.8H423 G426 C440H423-S428 VanDerWaalsContact CB-O 3.26Å; H423-S428 WeakPolarHBondContact CB-O 3.47Å; H423-S428 WeakPolarHBondContact CB-OG 3.35Å; H423-S428 PolarHBondContact N-O 2.86Å; G426-S428 VanDerWaalsContact C-N 3.34Å; G426-S428 PolarHBondContact O-N 3.13Å; S428-C440 CarbonylContact C-O 3.55Å; S428-C440 WeakPolarHBondContact CA-O 3.26Å; S428-C440 WeakPolarHBondContact CB-O 3.36Å
429V94.9Very high93.2Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-125.7127.5176.1-174.30000108.5L420 W422 L431 C440 M442L420-V429 HydrophobicContact CB-CG1 4.22Å; L420-V429 HydrophobicContact CD2-CG1 4.13Å; W422-V429 HydrophobicContact CD2-CG2 3.57Å; W422-V429 HydrophobicContact CE3-CG2 3.31Å; W422-V429 HydrophobicContact CG-CG2 4.43Å; W422-V429 HydrophobicContact CH2-CG2 3.48Å; W422-V429 VanDerWaalsContact CH2-CG2 3.48Å; W422-V429 HydrophobicContact CZ2-CG2 3.78Å; W422-V429 HydrophobicContact CZ3-CG2 3.23Å; V429-L431 HydrophobicContact CB-CD2 4.43Å; V429-L431 HydrophobicContact CG1-CD2 3.9Å; V429-C440 PolarHBondContact N-O 3.38Å; V429-C440 PolarHBondContact O-N 3.48Å; V429-M442 HydrophobicContact CB-CE 4.4Å; V429-M442 HydrophobicContact CG2-CE 3.5Å; V429-M442 VanDerWaalsContact CG2-CE 3.5Å
430I95.1Very high93.1Very high1 Ų125.7 Ų25.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-83.5120.5169.5-56166.5000108.3V16 L23 L420 K421 L432 L437 L439V16-I430 HydrophobicContact CG2-CD1 3.3Å; L23-I430 HydrophobicContact CD1-CD1 3.68Å; L420-I430 CarbonylContact C-O 3.56Å; L420-I430 WeakPolarHBondContact CA-O 3.34Å; K421-I430 HydrophobicContact CB-CB 4.33Å; K421-I430 PolarHBondContact N-O 2.7Å; K421-I430 PolarHBondContact O-N 2.87Å; I430-L432 HydrophobicContact CG2-CD2 3.79Å; I430-L432 HydrophobicContact CG2-CG 4.32Å; I430-L437 HydrophobicContact CG2-CB 4.32Å; I430-L437 HydrophobicContact CG2-CD1 4.29Å; I430-L439 HydrophobicContact CG1-CD2 4.15Å; I430-L439 HydrophobicContact CG1-CG 4.19Å
431L95.3Very high93Very high0 Ų028.8 Ų28.80%014%0.143CC..EExtended strand (participates in β ladder)trans-92.6123.8174.6-49.9-174.5000108.4F3 L396 V409 F415 V417 L420 V429 L437 C438 C440F3-L431 HydrophobicContact CD1-CD1 4.34Å; F3-L431 HydrophobicContact CE1-CD1 3.85Å; L396-L431 HydrophobicContact CD1-CD2 3.87Å; L396-L431 HydrophobicContact CD2-CD2 4.14Å; L396-L431 HydrophobicContact CG-CD2 4.41Å; V409-L431 HydrophobicContact CG1-CD1 4.16Å; V409-L431 HydrophobicContact CG2-CD1 3.52Å; F415-L431 HydrophobicContact CE1-CB 4.04Å; F415-L431 HydrophobicContact CZ-CB 4.2Å; V417-L431 HydrophobicContact CG1-CB 4.16Å; V417-L431 HydrophobicContact CG1-CD2 4.23Å; V417-L431 HydrophobicContact CG2-CB 4.48Å; V417-L431 HydrophobicContact CG2-CD1 4.39Å; L420-L431 HydrophobicContact CD2-CD2 3.27Å; V429-L431 HydrophobicContact CB-CD2 4.43Å; V429-L431 HydrophobicContact CG1-CD2 3.9Å; L431-L437 CarbonylContact O-C 3.56Å; L431-L437 WeakPolarHBondContact O-CA 3.4Å; L431-L437 WeakPolarHBondContact O-CB 3.44Å; L431-C438 WeakPolarHBondContact CB-O 3.49Å; L431-C438 PolarHBondContact N-O 3.2Å; L431-C438 PolarHBondContact O-N 3.04Å; L431-C440 HydrophobicContact CD1-CB 4.18Å; L431-C440 HydrophobicContact CG-CB 4.29Å
432L94.6Very high92.6Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-110.7117.4-178.2-58.8173.7000109.5H12 C14 Q418 S419 K421 I430 L437H12-L432 HydrophobicContact CB-CD1 4.15Å; C14-L432 HydrophobicContact CB-CD2 3.87Å; Q418-L432 PolarHBondContact N-O 3.16Å; S419-L432 PolarHBondContact N-O 2.67Å; S419-L432 VanDerWaalsContact N-O 3.09Å; S419-L432 PolarHBondContact O-N 2.84Å; K421-L432 HydrophobicContact CD-CD1 3.98Å; K421-L432 HydrophobicContact CG-CD1 4.1Å; I430-L432 HydrophobicContact CG2-CD2 3.79Å; I430-L432 HydrophobicContact CG2-CG 4.32Å; L432-L437 HydrophobicContact CD2-CB 3.7Å; L432-L437 HydrophobicContact CD2-CD2 4.37Å
433G92.3Very high91.7Very high2 Ų230.8 Ų30.82%0.02116%0.157CC..  trans-89.8-167.4163.500000111.6Q9 H12 Q416 Q436Q9-G433 PolarHBondContact NE2-O 2.9Å; H12-G433 PolarHBondContact CE1-O 2.83Å; H12-G433 PolarHBondContact ND1-O 2.73Å; Q416-G433 WeakPolarHBondContact O-CA 3.44Å; G433-Q436 CarbonylContact C-O 3.6Å; G433-Q436 WeakPolarHBondContact CA-O 3.37Å; G433-Q436 PolarHBondContact N-O 3.2Å
434K89Confident90.1Very high139 Ų13934 Ų3460%0.60418%0.178SC*.SBendtrans-62.5-56.2179.8-174-175.5173.6-1750112
435D89.8Confident88Confident86 Ų8639.1 Ų39.146%0.4620%0.202SC..SBendtrans-123.37.5-174.7-56.3-51.2000112.7Q9Q9-D435 PolarHBondContact N-O 2.73Å; Q9-D435 CarbonylContact O-C 3.58Å; Q9-D435 VanDerWaalsContact O-C 3.3Å; Q9-D435 WeakPolarHBondContact O-CA 3.39Å; Q9-D435 VanDerWaalsContact O-O 3.04Å
436Q92.3Very high85.5Confident79 Ų7947.5 Ų47.537%0.36923%0.23SC..EExtended strand (participates in β ladder)trans-136158.2-173.6-73.5177.8-21.500110.6V6 F7 Q9 F415 G433V6-Q436 HydrophobicContact CG1-CB 3.61Å; V6-Q436 HydrophobicContact CG1-CG 3.74Å; F7-Q436 CarbonylContact O-C 3.46Å; F7-Q436 VanDerWaalsContact O-CA 3.22Å; F7-Q436 WeakPolarHBondContact O-CA 3.29Å; Q9-Q436 PolarHBondContact NE2-O 2.96Å; F415-Q436 HydrophobicContact CD2-CB 3.92Å; F415-Q436 HydrophobicContact CE2-CB 3.73Å; G433-Q436 CarbonylContact C-O 3.6Å; G433-Q436 WeakPolarHBondContact CA-O 3.37Å; G433-Q436 PolarHBondContact N-O 3.2Å
437L93.6Very high82.9Confident0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-139.2157.7167.668.789.1000111.1V6 F7 Q9 C14 L23 T25 I430 L431 L432 L439V6-L437 CarbonylContact C-O 3.56Å; V6-L437 WeakPolarHBondContact CA-O 3.41Å; F7-L437 HydrophobicContact CB-CD1 3.91Å; F7-L437 HydrophobicContact CB-CG 3.98Å; F7-L437 HydrophobicContact CD2-CD1 3.71Å; F7-L437 HydrophobicContact CG-CD1 4.27Å; F7-L437 PolarHBondContact N-O 2.58Å; F7-L437 PolarHBondContact O-N 2.99Å; Q9-L437 HydrophobicContact CB-CD2 3.87Å; Q9-L437 HydrophobicContact CG-CB 4.17Å; Q9-L437 HydrophobicContact CG-CD2 4.02Å; Q9-L437 HydrophobicContact CG-CG 4.39Å; C14-L437 HydrophobicContact CB-CD2 3.82Å; L23-L437 HydrophobicContact CD2-CD1 4.38Å; T25-L437 HydrophobicContact CG2-CD2 3.66Å; I430-L437 HydrophobicContact CG2-CB 4.32Å; I430-L437 HydrophobicContact CG2-CD1 4.29Å; L431-L437 CarbonylContact O-C 3.56Å; L431-L437 WeakPolarHBondContact O-CA 3.4Å; L431-L437 WeakPolarHBondContact O-CB 3.44Å; L432-L437 HydrophobicContact CD2-CB 3.7Å; L432-L437 HydrophobicContact CD2-CD2 4.37Å; L437-L439 HydrophobicContact CD1-CD1 4.2Å
438C93.3Very high80.1Confident2 Ų262.2 Ų62.21%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-142.9146.8174.4173.40000108.7S4 F415 L431S4-C438 PolarHBondContact O-SG 3.16Å; F415-C438 HydrophobicContact CE1-CB 4.4Å; F415-C438 HydrophobicContact CZ-CB 4.26Å; L431-C438 WeakPolarHBondContact CB-O 3.49Å; L431-C438 PolarHBondContact N-O 3.2Å; L431-C438 PolarHBondContact O-N 3.04Å
439L93.6Very high77.2Confident0 Ų075.2 Ų75.20%035%0.353CS..EExtended strand (participates in β ladder)trans-96.5131.9172.5-63.494.5000109.6F3 S4 F7 L23 L36 L39 I430 L437 Y441F3-L439 CarbonylContact C-O 3.57Å; F3-L439 VanDerWaalsContact CA-O 3.29Å; F3-L439 WeakPolarHBondContact CA-O 3.22Å; S4-L439 PolarHBondContact N-O 3.11Å; S4-L439 WeakPolarHBondContact OG-CD1 3.26Å; S4-L439 PolarHBondContact OG-N 3.16Å; F7-L439 HydrophobicContact CD2-CD1 4.14Å; F7-L439 HydrophobicContact CE2-CD1 3.82Å; L23-L439 HydrophobicContact CD2-CD1 4.18Å; L36-L439 HydrophobicContact CD1-CD2 3.72Å; L36-L439 HydrophobicContact CG-CD2 4.23Å; L39-L439 HydrophobicContact CD2-CD1 3.94Å; L39-L439 HydrophobicContact CD2-CD2 4.45Å; I430-L439 HydrophobicContact CG1-CD2 4.15Å; I430-L439 HydrophobicContact CG1-CG 4.19Å; L437-L439 HydrophobicContact CD1-CD1 4.2Å; L439-Y441 HydrophobicContact CB-CE2 3.99Å
440C93.9Very high76.3Confident0 Ų079 Ų790%037%0.37CS..EExtended strand (participates in β ladder)trans-104115.9170.1179.60000108.4F3 L396 S428 V429 L431F3-C440 HydrophobicContact CD1-CB 3.94Å; F3-C440 HydrophobicContact CE1-CB 3.68Å; F3-C440 HydrophobicContact CZ-CB 4.45Å; L396-C440 HydrophobicContact CD2-CB 4.16Å; S428-C440 CarbonylContact C-O 3.55Å; S428-C440 WeakPolarHBondContact CA-O 3.26Å; S428-C440 WeakPolarHBondContact CB-O 3.36Å; V429-C440 PolarHBondContact N-O 3.38Å; V429-C440 PolarHBondContact O-N 3.48Å; L431-C440 HydrophobicContact CD1-CB 4.18Å; L431-C440 HydrophobicContact CG-CB 4.29Å
441Y92.2Very high75.3Confident67 Ų6783.1 Ų83.126%0.26339%0.39SS..EExtended strand (participates in β ladder)trans-92.1126.8175.1-57.7-83.6000109.3M1 N2 L439M1-Y441 VanDerWaalsContact CA-O 3.22Å; M1-Y441 WeakPolarHBondContact CA-O 3.13Å; N2-Y441 PolarHBondContact N-O 3.19Å; N2-Y441 PolarHBondContact O-N 3.46Å; L439-Y441 HydrophobicContact CB-CE2 3.99Å
442M88.1Confident74.2Confident14 Ų1487.7 Ų87.77%0.06941%0.411CS..PPolyproline II helixtrans-75.1136.8172.9-56.6-66.1166.400107.6M1 R386 L396 L398 W422 D427 V429 T444M1-M442 HydrophobicContact CE-SD 3.75Å; M1-M442 HydrophobicContact CG-SD 4.24Å; M1-M442 HydrophobicContact SD-SD 3.84Å; R386-M442 VanDerWaalsContact NH1-CG 3.33Å; L396-M442 HydrophobicContact CD2-CE 4.38Å; L398-M442 HydrophobicContact CD1-CE 3.7Å; L398-M442 HydrophobicContact CD1-SD 3.74Å; L398-M442 HydrophobicContact CD2-CE 4.01Å; W422-M442 HydrophobicContact CH2-CE 3.81Å; W422-M442 HydrophobicContact CZ3-CE 4Å; W422-M442 HydrophobicContact CZ3-CG 4.5Å; D427-M442 VanDerWaalsContact O-CB 3.3Å; D427-M442 WeakPolarHBondContact O-CB 3.45Å; D427-M442 WeakPolarHBondContact O-CG 3.36Å; D427-M442 PolarHBondContact O-N 3.47Å; V429-M442 HydrophobicContact CB-CE 4.4Å; V429-M442 HydrophobicContact CG2-CE 3.5Å; V429-M442 VanDerWaalsContact CG2-CE 3.5Å; M442-T444 PolarHBondContact O-N 3.08Å
443D76.8Confident73Confident95 Ų9592.9 Ų92.951%0.50844%0.435SS..PPolyproline II helixtrans-64.5117.8170.5-59.5-22.9000105.7M1 D445M1-D443 VanDerWaalsContact CA-OD1 3.26Å; M1-D443 WeakPolarHBondContact CA-OD1 3.48Å; M1-D443 PolarHBondContact N-OD1 3.37Å; M1-D443 PolarHBondContact N-OD2 3.02Å; D443-D445 PolarHBondContact O-N 3.27Å
444T59.9Low71.8Confident84 Ų8498.6 Ų98.652%0.51546%0.461SS..  trans-70.2111163.741.40000103.8M442 Y446M442-T444 PolarHBondContact O-N 3.08Å; T444-Y446 VanDerWaalsContact C-N 3.33Å; T444-Y446 PolarHBondContact O-N 2.83Å
445D46.8Very low70.7Confident152 Ų15295.9 Ų95.981%0.81345%0.452SS*.  trans-51.1113161.8-71.6-35.8000104.6D443 E447D443-D445 PolarHBondContact O-N 3.27Å; D445-E447 PolarHBondContact O-N 3.22Å
446Y39.3Very low69.3Low211 Ų21196.6 Ų96.683%0.82745%0.451SS*.  trans-51.7112.5165.1-80.5-93.1000104.3T444 E448T444-Y446 VanDerWaalsContact C-N 3.33Å; T444-Y446 PolarHBondContact O-N 2.83Å; Y446-E448 PolarHBondContact O-N 3.35Å
447E34.8Very low67.5Low195 Ų19597.9 Ų97.991%0.91146%0.457SS*.  trans-62.675.6158.1-76.5-176.2160.400106.1D445 K449D445-E447 PolarHBondContact O-N 3.22Å; E447-K449 VanDerWaalsContact C-N 3.26Å; E447-K449 PolarHBondContact O-N 2.77Å; E447-K449 VanDerWaalsContact O-N 3.11Å
448E34Very low65.3Low175 Ų175106.1 Ų106.182%0.81850%0.496SS*.  trans-67.497.4152-80.5-169.7162.900105.8Y446Y446-E448 PolarHBondContact O-N 3.35Å
449K31.5Very low62.8Low278 Ų278115.5 Ų115.5100%1.20954%0.539SS*.  trans-162.70133.5-105.1166.6-170.1-177.60112.4E447E447-K449 VanDerWaalsContact C-N 3.26Å; E447-K449 PolarHBondContact O-N 2.77Å; E447-K449 VanDerWaalsContact O-N 3.11Å

Retrieved 449 of 449 residues in 181.2 ms (Link to these results)

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