A0A077Z6Q5_TRITR Loading...

dihydrofolate reductase

AlphaFold DB , UniProt , Accession A0A077Z6Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 175 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
1M84.5Confident92.4Very high77 Ų7734 Ų3438%0.37917%0.173SC..  0128.90-179.3-170.270.400109.3L82 L85 I94 A97M1-L82 HydrophobicContact CE-CD2 4.44Å; M1-L85 HydrophobicContact CE-CB 3.73Å; M1-L85 HydrophobicContact CE-CD1 4.16Å; M1-L85 HydrophobicContact SD-CB 3.71Å; M1-L85 HydrophobicContact SD-CD1 4.07Å; M1-L85 HydrophobicContact SD-CG 4.37Å; M1-I94 HydrophobicContact CG-CG2 4.38Å; M1-I94 HydrophobicContact SD-CG2 3.92Å; M1-A97 HydrophobicContact CE-CB 3.94Å; M1-A97 HydrophobicContact CG-CB 4.37Å; M1-A97 HydrophobicContact SD-CB 3.78Å
2L89.5Confident92.2Very high91 Ų9136.3 Ų36.348%0.47621%0.211SC..EExtended strand (participates in β ladder)trans-87151.2174-64.9171.8000111.1T96 A97 N116L2-T96 HydrophobicContact CB-CG2 4.43Å; L2-A97 PolarHBondContact O-N 2.84Å; L2-N116 HydrophobicContact CD2-CB 4.22Å
3L93.7Very high92.3Very high12 Ų1236.6 Ų36.66%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-112.1116.5171.6-177.666.6000109.5I38 L82 A97 V99 W115 N116L3-I38 HydrophobicContact CD1-CD1 4.37Å; L3-L82 HydrophobicContact CD1-CD2 3.91Å; L3-L82 HydrophobicContact CD2-CD1 4.27Å; L3-L82 HydrophobicContact CD2-CD2 4.16Å; L3-A97 CarbonylContact C-O 3.56Å; L3-A97 WeakPolarHBondContact CA-O 3.14Å; L3-A97 HydrophobicContact CD1-CB 3.81Å; L3-V99 HydrophobicContact CD1-CG2 3.84Å; L3-V99 HydrophobicContact CG-CG2 4.42Å; L3-W115 CarbonylContact O-C 3.59Å; L3-W115 VanDerWaalsContact O-CA 3.29Å; L3-W115 WeakPolarHBondContact O-CA 3.37Å; L3-N116 PolarHBondContact O-N 3.27Å
4N94.6Very high92.4Very high7 Ų734 Ų344%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-114.1156.2176.4-65.7-29.1000110.6T96 A97 W98 V99 N116 R117 Y119N4-T96 WeakPolarHBondContact ND2-CG2 3.28Å; N4-A97 PolarHBondContact N-O 3.35Å; N4-W98 HydrophobicContact CB-CD2 4.06Å; N4-W98 HydrophobicContact CB-CE3 3.55Å; N4-W98 HydrophobicContact CB-CH2 4.04Å; N4-W98 HydrophobicContact CB-CZ2 4.49Å; N4-W98 HydrophobicContact CB-CZ3 3.55Å; N4-W98 CarbonylContact O-C 3.5Å; N4-W98 WeakPolarHBondContact O-CA 3.4Å; N4-V99 PolarHBondContact O-N 2.89Å; N4-N116 PolarHBondContact OD1-ND2 2.83Å; N4-R117 CarbonylContact C-O 3.51Å; N4-R117 WeakPolarHBondContact CA-O 3.5Å; N4-R117 PolarHBondContact OD1-N 2.98Å; N4-Y119 HydrophobicContact CB-CD2 4.41Å; N4-Y119 HydrophobicContact CB-CE2 4.24Å
5I95.3Very high92.5Very high0 Ų033.8 Ų33.80%019%0.194CC..EExtended strand (participates in β ladder)trans-112135.4173.1-58.3174.1000107.7V99 Y106 A109 L110 W115 R117 L118 Y119 F133I5-V99 HydrophobicContact CG1-CB 4.17Å; I5-Y106 HydrophobicContact CG2-CD1 3.57Å; I5-Y106 HydrophobicContact CG2-CE1 3.68Å; I5-A109 HydrophobicContact CD1-CB 3.94Å; I5-A109 HydrophobicContact CG1-CB 4.35Å; I5-L110 HydrophobicContact CD1-CD2 3.56Å; I5-L110 HydrophobicContact CD1-CG 4.07Å; I5-W115 HydrophobicContact CD1-CB 3.97Å; I5-W115 HydrophobicContact CD1-CD2 4Å; I5-W115 HydrophobicContact CD1-CG 3.7Å; I5-W115 HydrophobicContact CG1-CB 4.09Å; I5-W115 HydrophobicContact CG1-CG 4.33Å; I5-R117 PolarHBondContact N-O 2.88Å; I5-L118 HydrophobicContact CB-CD1 3.78Å; I5-L118 HydrophobicContact CG2-CD1 3.56Å; I5-L118 WeakPolarHBondContact O-CA 3.11Å; I5-Y119 PolarHBondContact O-N 3.31Å; I5-F133 HydrophobicContact CG2-CE2 4.36Å
6I94.3Very high92.2Very high11 Ų1133.6 Ų33.66%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-127.6132.4173.1-171.4166.6000110.6D24 F27 V28 W98 V99 C100 Y106 Y119I6-D24 HydrophobicContact CD1-CB 3.85Å; I6-D24 VanDerWaalsContact CD1-O 3.25Å; I6-D24 WeakPolarHBondContact CD1-O 3.47Å; I6-D24 HydrophobicContact CG1-CB 4.35Å; I6-F27 HydrophobicContact CD1-CB 4.24Å; I6-F27 HydrophobicContact CD1-CD2 4.11Å; I6-V28 HydrophobicContact CD1-CG2 4.06Å; I6-V28 HydrophobicContact CG2-CG2 4.23Å; I6-W98 HydrophobicContact CB-CE3 4.13Å; I6-W98 HydrophobicContact CB-CZ3 4.4Å; I6-W98 HydrophobicContact CG2-CE3 4.21Å; I6-V99 PolarHBondContact N-O 3.08Å; I6-C100 HydrophobicContact CG2-CB 4.43Å; I6-Y106 WeakPolarHBondContact O-CE1 3.42Å; I6-Y106 PolarHBondContact O-OH 3.07Å; I6-Y119 WeakPolarHBondContact CA-O 3.29Å
7V94.5Very high91.6Very high3 Ų333.7 Ų33.72%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-152.4141.8-177.3640000112T9 I15 Y106 L118 Y119 I120 T121 F133V7-T9 HydrophobicContact CG1-CG2 4.31Å; V7-T9 HydrophobicContact CG2-CG2 3.9Å; V7-I15 HydrophobicContact CG2-CG2 3.57Å; V7-Y106 HydrophobicContact CB-CE1 4.19Å; V7-Y106 HydrophobicContact CB-CE2 4.26Å; V7-Y106 HydrophobicContact CG2-CE2 3.82Å; V7-L118 HydrophobicContact CG1-CD1 4.03Å; V7-Y119 PolarHBondContact N-O 2.98Å; V7-I120 HydrophobicContact CG1-CB 4.19Å; V7-I120 HydrophobicContact CG1-CD1 4.07Å; V7-I120 HydrophobicContact CG1-CG1 3.98Å; V7-I120 CarbonylContact O-C 3.4Å; V7-I120 VanDerWaalsContact O-CA 3.32Å; V7-I120 WeakPolarHBondContact O-CA 3.44Å; V7-T121 PolarHBondContact O-N 3.03Å; V7-F133 HydrophobicContact CB-CD2 4.1Å; V7-F133 HydrophobicContact CB-CE2 4.03Å; V7-F133 HydrophobicContact CG1-CD2 3.96Å; V7-F133 HydrophobicContact CG1-CE2 3.72Å; V7-F133 HydrophobicContact CG1-CZ 4.16Å; V7-F133 HydrophobicContact CG2-CD2 3.7Å; V7-F133 HydrophobicContact CG2-CE2 4.15Å; V7-F133 HydrophobicContact CG2-CG 4.43Å
8A94Very high90.9Very high14 Ų1437.2 Ų37.212%0.11622%0.224CC..EExtended strand (participates in β ladder)trans-102.6131.2163.500000110.4L17 I21 T121 I123A8-L17 HydrophobicContact CB-CD1 3.7Å; A8-I21 HydrophobicContact CB-CG1 4.33Å; A8-T121 CarbonylContact C-O 3.54Å; A8-T121 WeakPolarHBondContact CA-O 3.4Å; A8-T121 HydrophobicContact CB-CG2 4.37Å; A8-I123 HydrophobicContact CB-CD1 4.17Å
9T94.4Very high90Very high2 Ų237.2 Ų37.21%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-127.9135.5-179.5660000111.3V7 L13 G14 I15 I120 T121 I123 F133V7-T9 HydrophobicContact CG1-CG2 4.31Å; V7-T9 HydrophobicContact CG2-CG2 3.9Å; T9-L13 HydrophobicContact CG2-CD2 4.29Å; T9-G14 CarbonylContact C-O 3.56Å; T9-G14 VanDerWaalsContact CA-O 3.29Å; T9-G14 WeakPolarHBondContact CA-O 3.44Å; T9-I15 HydrophobicContact CG2-CG2 3.99Å; T9-I120 HydrophobicContact CG2-CD1 3.85Å; T9-I120 HydrophobicContact CG2-CG1 4.29Å; T9-T121 PolarHBondContact N-O 3.16Å; T9-I123 PolarHBondContact O-N 3.17Å; T9-F133 HydrophobicContact CG2-CB 4.08Å
10C93.2Very high89.4Confident6 Ų638 Ų384%0.04123%0.228CC..  trans-83.8-175.6162.870.10000111.6G12 L13 G14 L17 Q125 F127 C129C10-G12 PolarHBondContact O-N 3.24Å; C10-L13 PolarHBondContact O-N 3.19Å; C10-L13 VanDerWaalsContact O-N 3.12Å; C10-G14 PolarHBondContact N-O 3.46Å; C10-G14 VanDerWaalsContact SG-CA 3.59Å; C10-L17 HydrophobicContact CB-CD2 3.81Å; C10-Q125 WeakPolarHBondContact CB-O 3.39Å; C10-F127 HydrophobicContact CB-CB 4.46Å; C10-F127 HydrophobicContact CB-CD2 3.85Å; C10-C129 VanDerWaalsContact SG-SG 3.64Å
11E88.1Confident88.9Confident151 Ų15136.6 Ų36.671%0.70622%0.219SC*.G310 helixtrans-50.7138.6170.6-168.1173.4-177.700111.4L13E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.15Å
12G90.6Very high88.2Confident61 Ų6136.1 Ų36.163%0.62921%0.213SC*.G310 helixtrans73.415.9-175.800000115.3C10 G14 F132C10-G12 PolarHBondContact O-N 3.24Å; G12-G14 VanDerWaalsContact C-N 3.32Å; G12-G14 PolarHBondContact O-N 3.31Å; G12-F132 WeakPolarHBondContact O-CD1 3.43Å
13L93.2Very high87.3Confident41 Ų4132.9 Ų32.922%0.21520%0.199CC..G310 helixtrans65.426-179.3-59.6177.6000114.6T9 C10 E11 F132 F133 F138T9-L13 HydrophobicContact CG2-CD2 4.29Å; C10-L13 PolarHBondContact O-N 3.19Å; C10-L13 VanDerWaalsContact O-N 3.12Å; E11-L13 VanDerWaalsContact C-N 3.32Å; E11-L13 PolarHBondContact O-N 3.15Å; L13-F132 CarbonylContact O-C 3.54Å; L13-F132 WeakPolarHBondContact O-CA 3.17Å; L13-F133 HydrophobicContact CB-CB 4.19Å; L13-F133 PolarHBondContact O-N 3.45Å; L13-F138 HydrophobicContact CD2-CE2 4.36Å
14G94.1Very high86.4Confident0 Ų033.1 Ų33.10%020%0.201CC..BIsolated β-bridgetrans-68.4131.5175.800000112.5T9 C10 G12T9-G14 CarbonylContact C-O 3.56Å; T9-G14 VanDerWaalsContact CA-O 3.29Å; T9-G14 WeakPolarHBondContact CA-O 3.44Å; C10-G14 PolarHBondContact N-O 3.46Å; C10-G14 VanDerWaalsContact SG-CA 3.59Å; G12-G14 VanDerWaalsContact C-N 3.32Å; G12-G14 PolarHBondContact O-N 3.31Å
15I93.1Very high85.2Confident31 Ų3135.5 Ų35.516%0.15921%0.211CC..  trans-115.9-9.8179.863.4170.4000113.5V7 T9 L17 Y106 T131 F133V7-I15 HydrophobicContact CG2-CG2 3.57Å; T9-I15 HydrophobicContact CG2-CG2 3.99Å; I15-L17 PolarHBondContact O-N 3.22Å; I15-Y106 HydrophobicContact CD1-CD2 4.01Å; I15-Y106 HydrophobicContact CD1-CE2 3.88Å; I15-T131 HydrophobicContact CD1-CG2 3.86Å; I15-T131 HydrophobicContact CG1-CG2 3.78Å; I15-T131 WeakPolarHBondContact CG1-O 3.29Å; I15-T131 PolarHBondContact N-O 2.94Å; I15-F133 HydrophobicContact CG2-CB 3.8Å
16G87.4Confident84Confident31 Ų3142.9 Ų42.932%0.3224%0.24SC..  trans-77.263172.100000111.3C129 T131G16-C129 PolarHBondContact O-SG 2.88Å; G16-C129 VanDerWaalsContact O-SG 3.34Å; G16-T131 PolarHBondContact N-O 3.38Å
17L82.9Confident83.1Confident35 Ų3543.5 Ų43.518%0.18324%0.242CC..  trans-80.4141-172.7-60.3167.9000111.1A8 C10 I15 I19 I123 F127A8-L17 HydrophobicContact CB-CD1 3.7Å; C10-L17 HydrophobicContact CB-CD2 3.81Å; I15-L17 PolarHBondContact O-N 3.22Å; L17-I19 PolarHBondContact O-N 3.43Å; L17-I123 HydrophobicContact CD1-CD1 3.33Å; L17-I123 HydrophobicContact CD2-CD1 3.92Å; L17-I123 HydrophobicContact CG-CD1 4.24Å; L17-F127 HydrophobicContact CD2-CD2 3.89Å; L17-F127 HydrophobicContact CD2-CG 4.45Å
18P78.2Confident81.9Confident97 Ų9743.6 Ų43.663%0.6324%0.242SC*.SBendtrans-75.5-7.3174.832-35000112.9F127P18-F127 HydrophobicContact CG-CD1 3.38Å; P18-F127 HydrophobicContact CG-CE1 3.55Å; P18-F127 HydrophobicContact CG-CG 4.15Å; P18-F127 HydrophobicContact CG-CZ 4.44Å
19I74.9Confident80.5Confident37 Ų3745.1 Ų45.119%0.1925%0.252CS..SBendtrans-122.2146.5-178.261.6173.5000110.3L17 I21 F127 V159L17-I19 PolarHBondContact O-N 3.43Å; I19-I21 HydrophobicContact CD1-CD1 3.76Å; I19-I21 HydrophobicContact CG1-CD1 4.25Å; I19-F127 HydrophobicContact CD1-CZ 4.22Å; I19-V159 HydrophobicContact CD1-CB 3.99Å; I19-V159 HydrophobicContact CD1-CG1 4.01Å; I19-V159 HydrophobicContact CD1-CG2 3.61Å
20T78Confident78.7Confident53 Ų5350.2 Ų50.233%0.32528%0.278SS..  trans-93122.4168.4-51.70000108.2W22 F25T20-W22 HydrophobicContact CG2-CD2 4.24Å; T20-W22 HydrophobicContact CG2-CH2 4.31Å; T20-W22 HydrophobicContact CG2-CZ2 4.06Å; T20-W22 PolarHBondContact O-N 3.42Å; T20-F25 HydrophobicContact CG2-CD2 4.26Å; T20-F25 HydrophobicContact CG2-CE2 3.45Å; T20-F25 VanDerWaalsContact CG2-CE2 3.45Å; T20-F25 HydrophobicContact CG2-CZ 4.19Å
21I79Confident77.1Confident8 Ų854.1 Ų54.14%0.04130%0.298CS..  trans-84.1109.2168.9-55.2-58000107.7A8 I19 A23 T121 I123 Y161A8-I21 HydrophobicContact CB-CG1 4.33Å; I19-I21 HydrophobicContact CD1-CD1 3.76Å; I19-I21 HydrophobicContact CG1-CD1 4.25Å; I21-A23 VanDerWaalsContact C-N 3.3Å; I21-A23 HydrophobicContact CG2-CB 4.13Å; I21-A23 PolarHBondContact O-N 3.25Å; I21-T121 HydrophobicContact CG2-CG2 4.26Å; I21-I123 HydrophobicContact CD1-CD1 4.19Å; I21-I123 HydrophobicContact CG1-CD1 3.95Å; I21-I123 HydrophobicContact CG1-CG1 4.47Å; I21-Y161 HydrophobicContact CD1-CD1 4.19Å; I21-Y161 HydrophobicContact CD1-CE1 4.12Å; I21-Y161 HydrophobicContact CG2-CD2 4.48Å; I21-Y161 HydrophobicContact CG2-CE1 4.27Å; I21-Y161 HydrophobicContact CG2-CE2 3.9Å
22W70Confident75.8Confident68 Ų6852.3 Ų52.326%0.25831%0.309SS..Hα-helixtrans-73.6-25.5-173.9-66.790.5000112.7T20 D24 F25 Y26 F51 E156T20-W22 HydrophobicContact CG2-CD2 4.24Å; T20-W22 HydrophobicContact CG2-CH2 4.31Å; T20-W22 HydrophobicContact CG2-CZ2 4.06Å; T20-W22 PolarHBondContact O-N 3.42Å; W22-D24 PolarHBondContact O-N 3.41Å; W22-F25 HydrophobicContact CE3-CD2 4.31Å; W22-F25 WeakPolarHBondContact O-CB 3.2Å; W22-F25 PolarHBondContact O-N 2.99Å; W22-Y26 VanDerWaalsContact O-CD2 3.29Å; W22-Y26 WeakPolarHBondContact O-CD2 3.14Å; W22-F51 AromaticContact CH2-CD2 3.67Å; W22-F51 HydrophobicContact CH2-CD2 3.67Å; W22-F51 HydrophobicContact CH2-CE1 4.23Å; W22-F51 AromaticContact CH2-CE2 3.26Å; W22-F51 HydrophobicContact CH2-CE2 3.26Å; W22-F51 HydrophobicContact CH2-CG 4.29Å; W22-F51 AromaticContact CH2-CZ 3.56Å; W22-F51 HydrophobicContact CH2-CZ 3.56Å; W22-F51 AromaticContact CZ2-CE2 3.99Å; W22-F51 HydrophobicContact CZ2-CE2 3.99Å; W22-F51 HydrophobicContact CZ2-CZ 4.28Å; W22-F51 HydrophobicContact CZ3-CD2 4.31Å; W22-F51 HydrophobicContact CZ3-CE1 4.31Å; W22-F51 HydrophobicContact CZ3-CE2 4.1Å; W22-F51 HydrophobicContact CZ3-CZ 4.07Å; W22-E156 VanDerWaalsContact CD1-OE1 3.28Å; W22-E156 PolarHBondContact N-OE2 2.82Å
23A69.9Low75Confident22 Ų2254 Ų5418%0.18230%0.299CS..Hα-helixtrans-56.1-39.1178.100000112.4I21 F25 Y26 Y161 F163I21-A23 VanDerWaalsContact C-N 3.3Å; I21-A23 HydrophobicContact CG2-CB 4.13Å; I21-A23 PolarHBondContact O-N 3.25Å; A23-F25 PolarHBondContact O-N 3.07Å; A23-Y26 WeakPolarHBondContact O-CB 3.45Å; A23-Y26 PolarHBondContact O-N 3.08Å; A23-Y161 HydrophobicContact CB-CE2 4.46Å; A23-F163 HydrophobicContact CB-CE1 4.19Å; A23-F163 HydrophobicContact CB-CZ 3.55Å
24D74.9Confident74.6Confident18 Ų1855.9 Ų55.910%0.09631%0.306CS..Hα-helixtrans-57.1-38.7176.1-68.521.1000112I6 W22 Y26 F27 T121I6-D24 HydrophobicContact CD1-CB 3.85Å; I6-D24 VanDerWaalsContact CD1-O 3.25Å; I6-D24 WeakPolarHBondContact CD1-O 3.47Å; I6-D24 HydrophobicContact CG1-CB 4.35Å; W22-D24 PolarHBondContact O-N 3.41Å; D24-Y26 PolarHBondContact O-N 2.95Å; D24-F27 PolarHBondContact O-N 3.15Å; D24-T121 PolarHBondContact OD1-OG1 3.15Å; D24-T121 PolarHBondContact OD2-OG1 3.23Å
25F70.3Confident74.5Confident56 Ų5656.1 Ų56.125%0.24631%0.308CS..Hα-helixtrans-67.8-24.6179-71.1-91.2000112.9T20 W22 A23 C29 L54 R57T20-F25 HydrophobicContact CG2-CD2 4.26Å; T20-F25 HydrophobicContact CG2-CE2 3.45Å; T20-F25 VanDerWaalsContact CG2-CE2 3.45Å; T20-F25 HydrophobicContact CG2-CZ 4.19Å; W22-F25 HydrophobicContact CE3-CD2 4.31Å; W22-F25 WeakPolarHBondContact O-CB 3.2Å; W22-F25 PolarHBondContact O-N 2.99Å; A23-F25 PolarHBondContact O-N 3.07Å; F25-C29 PolarHBondContact O-SG 3.28Å; F25-L54 HydrophobicContact CD1-CD1 4Å; F25-L54 HydrophobicContact CD1-CD2 3.85Å; F25-L54 HydrophobicContact CE1-CD1 3.73Å; F25-L54 HydrophobicContact CE1-CD2 3.54Å; F25-L54 HydrophobicContact CE1-CG 4.32Å; F25-R57 PolarHBondContact O-NH1 2.86Å; F25-R57 VanDerWaalsContact O-NH1 3.15Å
26Y69.8Low74.6Confident156 Ų15654.6 Ų54.661%0.61230%0.3SS*.Hα-helixtrans-72.3-40.1177.6-77.3-83000111.7W22 A23 D24 V28 C29 I30W22-Y26 VanDerWaalsContact O-CD2 3.29Å; W22-Y26 WeakPolarHBondContact O-CD2 3.14Å; A23-Y26 WeakPolarHBondContact O-CB 3.45Å; A23-Y26 PolarHBondContact O-N 3.08Å; D24-Y26 PolarHBondContact O-N 2.95Å; Y26-V28 PolarHBondContact O-N 3.1Å; Y26-V28 VanDerWaalsContact O-N 3.13Å; Y26-C29 WeakPolarHBondContact O-CB 3.38Å; Y26-C29 PolarHBondContact O-N 2.9Å; Y26-I30 WeakPolarHBondContact O-CD1 3.38Å; Y26-I30 WeakPolarHBondContact O-CG1 3.39Å
27F74.2Confident74.9Confident23 Ų2353.1 Ų53.110%0.10129%0.285CS..Hα-helixtrans-59.6-29.1178.4-57.8-42.7000112.6I6 D24 S148 V149 F163I6-F27 HydrophobicContact CD1-CB 4.24Å; I6-F27 HydrophobicContact CD1-CD2 4.11Å; D24-F27 PolarHBondContact O-N 3.15Å; F27-S148 VanDerWaalsContact CE1-O 3.23Å; F27-S148 WeakPolarHBondContact CE1-O 3.48Å; F27-V149 HydrophobicContact CD1-CG2 4.23Å; F27-V149 HydrophobicContact CE1-CB 4.41Å; F27-V149 HydrophobicContact CE1-CG2 4.03Å; F27-V149 HydrophobicContact CZ-CB 4.45Å; F27-V149 HydrophobicContact CZ-CG1 4.15Å; F27-V149 HydrophobicContact CZ-CG2 4.21Å; F27-F163 AromaticContact CE2-CD1 3.7Å; F27-F163 HydrophobicContact CE2-CD1 3.7Å; F27-F163 HydrophobicContact CE2-CD2 4.42Å; F27-F163 AromaticContact CE2-CE1 3.54Å; F27-F163 HydrophobicContact CE2-CE1 3.54Å; F27-F163 HydrophobicContact CE2-CE2 4.26Å; F27-F163 HydrophobicContact CE2-CG 4.14Å; F27-F163 AromaticContact CE2-CZ 3.82Å; F27-F163 HydrophobicContact CE2-CZ 3.82Å; F27-F163 HydrophobicContact CZ-CD1 4.15Å; F27-F163 HydrophobicContact CZ-CD2 4.03Å; F27-F163 AromaticContact CZ-CE1 3.96Å; F27-F163 HydrophobicContact CZ-CE1 3.96Å; F27-F163 AromaticContact CZ-CE2 3.81Å; F27-F163 HydrophobicContact CZ-CE2 3.81Å; F27-F163 HydrophobicContact CZ-CG 4.17Å; F27-F163 AromaticContact CZ-CZ 3.77Å; F27-F163 HydrophobicContact CZ-CZ 3.77Å
28V70.1Confident75.5Confident5 Ų551.5 Ų51.53%0.0328%0.276CS..THydrogen-bonded Turntrans-81.5-12.4178.8-172.50000112.7I6 Y26 N35 V37 R57 W98I6-V28 HydrophobicContact CD1-CG2 4.06Å; I6-V28 HydrophobicContact CG2-CG2 4.23Å; Y26-V28 PolarHBondContact O-N 3.1Å; Y26-V28 VanDerWaalsContact O-N 3.13Å; V28-N35 WeakPolarHBondContact O-CB 3.19Å; V28-N35 PolarHBondContact O-ND2 2.87Å; V28-V37 HydrophobicContact CG1-CG1 3.36Å; V28-R57 HydrophobicContact CG1-CG 4.18Å; V28-W98 HydrophobicContact CG1-CB 4.25Å; V28-W98 HydrophobicContact CG1-CD2 4.43Å; V28-W98 HydrophobicContact CG1-CG 3.88Å; V28-W98 HydrophobicContact CG2-CD2 4.07Å; V28-W98 HydrophobicContact CG2-CE3 4.25Å; V28-W98 HydrophobicContact CG2-CG 4.2Å
29C64.9Low76.4Confident47 Ų4747 Ų4732%0.31825%0.247SC..THydrogen-bonded Turntrans-91.6-19.1-174.7-77.50000115.3F25 Y26 L31 R57F25-C29 PolarHBondContact O-SG 3.28Å; Y26-C29 WeakPolarHBondContact O-CB 3.38Å; Y26-C29 PolarHBondContact O-N 2.9Å; C29-L31 PolarHBondContact O-N 2.96Å; C29-R57 PolarHBondContact SG-NH1 2.9Å
30I55.4Low77.4Confident109 Ų10945.7 Ų45.756%0.55924%0.242SC*.  trans-102.877.3-155.5-55162.7000111.7Y26Y26-I30 WeakPolarHBondContact O-CD1 3.38Å; Y26-I30 WeakPolarHBondContact O-CG1 3.39Å
31L59.7Low78.2Confident88 Ų8847 Ų4746%0.46124%0.241SC..SBendtrans-150.5162.1164.7-67.2175.9000111.9C29 K33 E95C29-L31 PolarHBondContact O-N 2.96Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 CarbonylContact C-O 3.59Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-E95 HydrophobicContact CB-CB 4.33Å; L31-E95 HydrophobicContact CB-CG 4.11Å; L31-E95 HydrophobicContact CD1-CB 3.89Å; L31-E95 HydrophobicContact CD1-CG 3.34Å; L31-E95 HydrophobicContact CG-CG 4.19Å
32A61.6Low78.8Confident113 Ų11356.1 Ų56.193%0.93428%0.275SS*.SBendtrans-66.7-28.2-178.600000113.6
33K73.2Confident79.9Confident96 Ų9654.4 Ų54.442%0.41727%0.272SS..SBendtrans-105.6165.3166.9-37.9179.4-172.7142.30110.5L31 A93 E95L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 CarbonylContact C-O 3.59Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-A93 WeakPolarHBondContact CB-O 3.35Å; K33-E95 HydrophobicContact CB-CB 4.06Å; K33-E95 VanDerWaalsContact CD-OE2 3.22Å; K33-E95 WeakPolarHBondContact CD-OE2 3.41Å; K33-E95 WeakPolarHBondContact CE-OE2 3.28Å; K33-E95 IonicContact NZ-OE2 3.23Å; K33-E95 PolarHBondContact NZ-OE2 2.78Å
34Q86Confident81Confident80 Ų8054 Ų5437%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-66.2143.7-179179.2163.27300110.9Q56 F58 A93 I94 E95Q34-Q56 WeakPolarHBondContact CG-O 3.47Å; Q34-Q56 PolarHBondContact NE2-O 3.03Å; Q34-F58 HydrophobicContact CG-CB 4.29Å; Q34-A93 PolarHBondContact N-O 2.83Å; Q34-I94 HydrophobicContact CB-CD1 4.25Å; Q34-I94 HydrophobicContact CG-CD1 4.14Å; Q34-I94 VanDerWaalsContact O-CA 3.28Å; Q34-I94 WeakPolarHBondContact O-CA 3.25Å; Q34-E95 PolarHBondContact O-N 2.99Å
35N91.6Very high81.8Confident5 Ų557.2 Ų57.23%0.02728%0.281CS..EExtended strand (participates in β ladder)trans-94.1146.5169.1-75.1-27.6000110.6V28 R57 F58 T96V28-N35 WeakPolarHBondContact O-CB 3.19Å; V28-N35 PolarHBondContact O-ND2 2.87Å; N35-R57 CarbonylContact O-C 3.58Å; N35-R57 VanDerWaalsContact O-CA 3.31Å; N35-R57 WeakPolarHBondContact O-CA 3.26Å; N35-F58 PolarHBondContact O-N 2.87Å; N35-T96 WeakPolarHBondContact CA-O 3.37Å; N35-T96 WeakPolarHBondContact OD1-CB 3.31Å; N35-T96 PolarHBondContact OD1-N 2.9Å
36A93.9Very high82.7Confident0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-96139.7170.900000110.6F58 L85 I94 T96 A97 W98A36-F58 CarbonylContact C-O 3.6Å; A36-F58 VanDerWaalsContact CA-O 3.28Å; A36-F58 WeakPolarHBondContact CA-O 3.41Å; A36-F58 HydrophobicContact CB-CB 4.3Å; A36-L85 HydrophobicContact CB-CD1 3.93Å; A36-L85 HydrophobicContact CB-CD2 3.6Å; A36-L85 HydrophobicContact CB-CG 4.44Å; A36-I94 HydrophobicContact CB-CD1 4.24Å; A36-I94 HydrophobicContact CB-CG1 4.46Å; A36-I94 HydrophobicContact CB-CG2 3.74Å; A36-T96 PolarHBondContact N-O 2.88Å; A36-A97 CarbonylContact O-C 3.54Å; A36-A97 WeakPolarHBondContact O-CA 3.47Å; A36-W98 PolarHBondContact O-N 3.34Å
37V94.5Very high83.5Confident0 Ų052.1 Ų52.10%027%0.274CS..EExtended strand (participates in β ladder)trans-117126.9173.5-65.80000109.5V28 M39 L54 R57 F58 T59 I60 W98V28-V37 HydrophobicContact CG1-CG1 3.36Å; V37-M39 HydrophobicContact CB-CE 4.05Å; V37-M39 HydrophobicContact CG2-CE 3.77Å; V37-L54 HydrophobicContact CG2-CD1 4.26Å; V37-R57 HydrophobicContact CG1-CB 4.18Å; V37-R57 HydrophobicContact CG1-CG 4.23Å; V37-R57 HydrophobicContact CG2-CB 4.21Å; V37-F58 PolarHBondContact N-O 2.87Å; V37-T59 HydrophobicContact CG2-CG2 4.13Å; V37-I60 PolarHBondContact O-N 2.91Å; V37-W98 CarbonylContact C-O 3.6Å; V37-W98 WeakPolarHBondContact CA-O 3.28Å; V37-W98 HydrophobicContact CG1-CB 4.44Å
38I96.2Very high84.1Confident0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-113.1122.5-179.5-56.3166.9000107.4L3 I60 L62 L78 A81 L82 L85 A97 W98 C100L3-I38 HydrophobicContact CD1-CD1 4.37Å; I38-I60 WeakPolarHBondContact CA-O 3.27Å; I38-I60 HydrophobicContact CG1-CB 4.23Å; I38-I60 HydrophobicContact CG1-CD1 4.2Å; I38-L62 HydrophobicContact CG2-CD1 3.98Å; I38-L62 HydrophobicContact CG2-CD2 3.85Å; I38-L62 HydrophobicContact CG2-CG 3.83Å; I38-L78 HydrophobicContact CD1-CD1 4.06Å; I38-L78 HydrophobicContact CG2-CD1 3.9Å; I38-A81 HydrophobicContact CD1-CB 4.33Å; I38-A81 HydrophobicContact CG2-CB 4.4Å; I38-L82 HydrophobicContact CD1-CD2 4.16Å; I38-L85 HydrophobicContact CD1-CD1 3.93Å; I38-L85 HydrophobicContact CG1-CD1 4.4Å; I38-A97 HydrophobicContact CD1-CB 4.35Å; I38-W98 PolarHBondContact N-O 2.86Å; I38-C100 PolarHBondContact O-N 2.65Å
39M96Very high85Confident2 Ų258 Ų581%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-146.1156.6179.367.4-169.973.300112.7V37 T43 Y44 I47 L54 T59 I60 V61 L62 C100 G101V37-M39 HydrophobicContact CB-CE 4.05Å; V37-M39 HydrophobicContact CG2-CE 3.77Å; M39-T43 HydrophobicContact CB-CG2 4.02Å; M39-T43 HydrophobicContact SD-CG2 4.26Å; M39-Y44 HydrophobicContact SD-CD2 4.02Å; M39-Y44 HydrophobicContact SD-CG 4.48Å; M39-I47 HydrophobicContact CE-CD1 4.24Å; M39-I47 HydrophobicContact SD-CD1 3.71Å; M39-L54 HydrophobicContact CE-CD1 4.06Å; M39-T59 HydrophobicContact CE-CG2 4.31Å; M39-I60 PolarHBondContact N-O 2.84Å; M39-V61 CarbonylContact O-C 3.53Å; M39-V61 WeakPolarHBondContact O-CA 3.44Å; M39-L62 PolarHBondContact O-N 2.66Å; M39-C100 HydrophobicContact CB-CB 4.44Å; M39-C100 HydrophobicContact CE-CB 4.48Å; M39-G101 CarbonylContact C-O 3.6Å; M39-G101 WeakPolarHBondContact CA-O 3.24Å
40G95.6Very high86.2Confident10 Ų1063.5 Ų63.510%0.10333%0.333CS..EExtended strand (participates in β ladder)trans-74157.6173.500000112.6R42 T43 Y44 G101G40-R42 VanDerWaalsContact C-N 3.33Å; G40-R42 PolarHBondContact O-N 3.41Å; G40-T43 WeakPolarHBondContact O-CB 3.48Å; G40-T43 PolarHBondContact O-N 2.58Å; G40-Y44 PolarHBondContact O-N 3.03Å; G40-G101 PolarHBondContact N-O 3.37Å
41R94.9Very high87.7Confident80 Ų8061.7 Ų61.730%0.30232%0.321SS..Hα-helixtrans-45.9-49.8177.7-172.6-175.769.585.11.6114T43 Y44 E45 V61 L62 M66R41-T43 VanDerWaalsContact C-N 3.33Å; R41-T43 PolarHBondContact O-N 2.7Å; R41-Y44 WeakPolarHBondContact O-CB 3.32Å; R41-Y44 PolarHBondContact O-N 2.71Å; R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact CZ-OE1 3.49Å; R41-E45 IonicContact CZ-OE2 3.19Å; R41-E45 IonicContact NH1-OE1 2.67Å; R41-E45 PolarHBondContact NH1-OE1 2.94Å; R41-E45 IonicContact NH1-OE2 3.37Å; R41-E45 PolarHBondContact NH1-OE2 3.02Å; R41-E45 WeakPolarHBondContact O-CG 3.43Å; R41-E45 PolarHBondContact O-N 2.6Å; R41-V61 HydrophobicContact CB-CG1 4.42Å; R41-L62 PolarHBondContact N-O 3Å; R41-L62 VanDerWaalsContact N-O 3.13Å; R41-M66 HydrophobicContact CG-CE 4.19Å; R41-M66 HydrophobicContact CG-SD 4.38Å
42R92.6Very high88.9Confident200 Ų20061 Ų6176%0.75531%0.312SS*.Hα-helixtrans-63.2-37.9-178.6-69.1-174.3179.9-178.20.2112.6G40 E45 S46G40-R42 VanDerWaalsContact C-N 3.33Å; G40-R42 PolarHBondContact O-N 3.41Å; R42-E45 PolarHBondContact O-N 2.96Å; R42-S46 PolarHBondContact O-N 3.13Å
43T93Very high90.1Very high32 Ų3257.1 Ų57.120%0.19628%0.277CS..Hα-helixtrans-65.3-47.8175.2-58.80000110.2M39 G40 R41 E45 S46 I47 G102M39-T43 HydrophobicContact CB-CG2 4.02Å; M39-T43 HydrophobicContact SD-CG2 4.26Å; G40-T43 WeakPolarHBondContact O-CB 3.48Å; G40-T43 PolarHBondContact O-N 2.58Å; R41-T43 VanDerWaalsContact C-N 3.33Å; R41-T43 PolarHBondContact O-N 2.7Å; T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-S46 PolarHBondContact O-N 3.23Å; T43-S46 VanDerWaalsContact O-N 3.12Å; T43-S46 PolarHBondContact O-OG 2.67Å; T43-I47 PolarHBondContact O-N 3.37Å; T43-G102 WeakPolarHBondContact OG1-CA 3.19Å; T43-G102 PolarHBondContact OG1-N 2.94Å
44Y92.5Very high90.7Very high15 Ų1553 Ų536%0.05926%0.26CS..Hα-helixtrans-57.4-40.2174.7-178.1-100.7000112.3M39 G40 R41 S46 I47 R52 T59 V61 M66 F72M39-Y44 HydrophobicContact SD-CD2 4.02Å; M39-Y44 HydrophobicContact SD-CG 4.48Å; G40-Y44 PolarHBondContact O-N 3.03Å; R41-Y44 WeakPolarHBondContact O-CB 3.32Å; R41-Y44 PolarHBondContact O-N 2.71Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 2.86Å; Y44-I47 PolarHBondContact O-N 3.41Å; Y44-R52 HydrophobicContact CE2-CB 4.28Å; Y44-R52 HydrophobicContact CE2-CG 4.35Å; Y44-R52 WeakPolarHBondContact O-CD 3.47Å; Y44-R52 PolarHBondContact O-NH1 3.25Å; Y44-T59 HydrophobicContact CD2-CG2 4.1Å; Y44-T59 HydrophobicContact CE2-CG2 4.01Å; Y44-V61 HydrophobicContact CD1-CG2 4.11Å; Y44-V61 HydrophobicContact CD2-CG2 3.56Å; Y44-V61 HydrophobicContact CE2-CG2 4.07Å; Y44-V61 HydrophobicContact CG-CG1 4.38Å; Y44-V61 HydrophobicContact CG-CG2 3.58Å; Y44-M66 HydrophobicContact CD1-CE 4.23Å; Y44-M66 HydrophobicContact CE1-CE 4.46Å; Y44-F72 HydrophobicContact CE1-CD1 4.37Å; Y44-F72 AromaticContact CE1-CE1 4Å; Y44-F72 HydrophobicContact CE1-CE1 4Å; Y44-F72 HydrophobicContact CE1-CZ 4.19Å; Y44-F72 HydrophobicContact CE2-CD1 4.33Å; Y44-F72 HydrophobicContact CE2-CG 4.49Å; Y44-F72 AromaticContact CZ-CD1 3.72Å; Y44-F72 AromaticContact CZ-CE1 3.77Å; Y44-F72 WeakPolarHBondContact OH-CD1 3.39Å; Y44-F72 VanDerWaalsContact OH-CE1 3.23Å; Y44-F72 WeakPolarHBondContact OH-CE1 3.45Å
45E91.4Very high90.6Very high84 Ų8456.9 Ų56.939%0.39328%0.275SS..Hα-helixtrans-70.9-26177.9-74.3169.9-176.400114.4R41 R42 T43 I47R41-E45 WeakPolarHBondContact CG-OE1 3.41Å; R41-E45 IonicContact CZ-OE1 3.49Å; R41-E45 IonicContact CZ-OE2 3.19Å; R41-E45 IonicContact NH1-OE1 2.67Å; R41-E45 PolarHBondContact NH1-OE1 2.94Å; R41-E45 IonicContact NH1-OE2 3.37Å; R41-E45 PolarHBondContact NH1-OE2 3.02Å; R41-E45 WeakPolarHBondContact O-CG 3.43Å; R41-E45 PolarHBondContact O-N 2.6Å; R42-E45 PolarHBondContact O-N 2.96Å; T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 PolarHBondContact O-N 2.87Å; E45-I47 VanDerWaalsContact C-N 3.31Å
46S89Confident90.2Very high89 Ų8964.3 Ų64.362%0.62231%0.31SS*.Hα-helixtrans-73.2-21.3176.375.30000113.7R42 T43 Y44R42-S46 PolarHBondContact O-N 3.13Å; T43-S46 PolarHBondContact O-N 3.23Å; T43-S46 VanDerWaalsContact O-N 3.12Å; T43-S46 PolarHBondContact O-OG 2.67Å; Y44-S46 VanDerWaalsContact C-N 3.34Å; Y44-S46 PolarHBondContact O-N 2.86Å
47I87.4Confident90Very high17 Ų1765.9 Ų65.99%0.08732%0.316CS..SBendtrans-72.1127.9178.4-61.8166.7000108.7M39 T43 Y44 E45 F51 R52 L54M39-I47 HydrophobicContact CE-CD1 4.24Å; M39-I47 HydrophobicContact SD-CD1 3.71Å; T43-I47 PolarHBondContact O-N 3.37Å; Y44-I47 PolarHBondContact O-N 3.41Å; E45-I47 VanDerWaalsContact C-N 3.31Å; I47-F51 HydrophobicContact CG2-CB 3.82Å; I47-R52 HydrophobicContact CB-CG 3.74Å; I47-R52 HydrophobicContact CG2-CG 3.58Å; I47-R52 WeakPolarHBondContact O-CD 3.44Å; I47-R52 PolarHBondContact O-NE 3.31Å; I47-L54 HydrophobicContact CD1-CD1 4.46Å; I47-L54 HydrophobicContact CD1-CD2 4.36Å; I47-L54 HydrophobicContact CD1-CG 4.37Å; I47-L54 HydrophobicContact CG2-CD2 4.35Å
48P87Confident89.9Confident54 Ų5468.1 Ų68.135%0.35133%0.326SS..  trans-54.9137179.7-24.931.9000111.5K50 F51P48-K50 HydrophobicContact CB-CG 4.5Å; P48-K50 PolarHBondContact O-N 3.37Å; P48-F51 HydrophobicContact CB-CD2 3.85Å; P48-F51 HydrophobicContact CB-CE2 4.37Å; P48-F51 HydrophobicContact CG-CD2 3.97Å; P48-F51 HydrophobicContact CG-CE2 4.36Å; P48-F51 PolarHBondContact O-N 2.89Å
49P89.5Confident89.8Confident97 Ų9768.3 Ų68.363%0.6333%0.327SS*.G310 helixtrans-49.8-36.5-172.4-30.334000115.4F51 R52P49-F51 PolarHBondContact O-N 3.34Å; P49-F51 VanDerWaalsContact O-N 3.13Å; P49-R52 PolarHBondContact O-N 2.98Å
50K89Confident89.8Confident162 Ų16268.2 Ų68.270%0.70433%0.326SS*.G310 helixtrans-63.4-16.117870.4-176.6-174.9179.40115.2P48P48-K50 HydrophobicContact CB-CG 4.5Å; P48-K50 PolarHBondContact O-N 3.37Å
51F86.3Confident89.9Confident71 Ų7167.7 Ų67.731%0.31132%0.321SS..G310 helixtrans-108.74.7178.2-58-61.7000112.5W22 I47 P48 P49 P53 L54W22-F51 AromaticContact CH2-CD2 3.67Å; W22-F51 HydrophobicContact CH2-CD2 3.67Å; W22-F51 HydrophobicContact CH2-CE1 4.23Å; W22-F51 AromaticContact CH2-CE2 3.26Å; W22-F51 HydrophobicContact CH2-CE2 3.26Å; W22-F51 HydrophobicContact CH2-CG 4.29Å; W22-F51 AromaticContact CH2-CZ 3.56Å; W22-F51 HydrophobicContact CH2-CZ 3.56Å; W22-F51 AromaticContact CZ2-CE2 3.99Å; W22-F51 HydrophobicContact CZ2-CE2 3.99Å; W22-F51 HydrophobicContact CZ2-CZ 4.28Å; W22-F51 HydrophobicContact CZ3-CD2 4.31Å; W22-F51 HydrophobicContact CZ3-CE1 4.31Å; W22-F51 HydrophobicContact CZ3-CE2 4.1Å; W22-F51 HydrophobicContact CZ3-CZ 4.07Å; I47-F51 HydrophobicContact CG2-CB 3.82Å; P48-F51 HydrophobicContact CB-CD2 3.85Å; P48-F51 HydrophobicContact CB-CE2 4.37Å; P48-F51 HydrophobicContact CG-CD2 3.97Å; P48-F51 HydrophobicContact CG-CE2 4.36Å; P48-F51 PolarHBondContact O-N 2.89Å; P49-F51 PolarHBondContact O-N 3.34Å; P49-F51 VanDerWaalsContact O-N 3.13Å; F51-P53 CarbonylContact C-O 3.5Å; F51-P53 CarbonylContact O-C 3.15Å; F51-L54 PolarHBondContact O-N 3.35Å
52R86.9Confident90Very high75 Ų7564.8 Ų64.828%0.28331%0.311SS..  trans-103.1135177.4-62.4-168.5-63.8173.4-7.7110.4Y44 I47 P49Y44-R52 HydrophobicContact CE2-CB 4.28Å; Y44-R52 HydrophobicContact CE2-CG 4.35Å; Y44-R52 WeakPolarHBondContact O-CD 3.47Å; Y44-R52 PolarHBondContact O-NH1 3.25Å; I47-R52 HydrophobicContact CB-CG 3.74Å; I47-R52 HydrophobicContact CG2-CG 3.58Å; I47-R52 WeakPolarHBondContact O-CD 3.44Å; I47-R52 PolarHBondContact O-NE 3.31Å; P49-R52 PolarHBondContact O-N 2.98Å
53P86.7Confident90.2Very high30 Ų3055.6 Ų55.620%0.19528%0.278CS..SBendcis-63.4165.4-18.934-39.8000111.2F51 K55 E71F51-P53 CarbonylContact C-O 3.5Å; F51-P53 CarbonylContact O-C 3.15Å; P53-K55 PolarHBondContact O-N 3.31Å; P53-K55 VanDerWaalsContact O-N 3.07Å; P53-E71 WeakPolarHBondContact CB-O 3.46Å; P53-E71 HydrophobicContact CG-CB 3.96Å; P53-E71 WeakPolarHBondContact CG-O 3.22Å
54L84.5Confident90.1Very high11 Ų1164.6 Ų64.66%0.05831%0.308CS..  trans-66.3112.4178.4-67.3177.8000109.8F25 V37 M39 I47 F51 R57F25-L54 HydrophobicContact CD1-CD1 4Å; F25-L54 HydrophobicContact CD1-CD2 3.85Å; F25-L54 HydrophobicContact CE1-CD1 3.73Å; F25-L54 HydrophobicContact CE1-CD2 3.54Å; F25-L54 HydrophobicContact CE1-CG 4.32Å; V37-L54 HydrophobicContact CG2-CD1 4.26Å; M39-L54 HydrophobicContact CE-CD1 4.06Å; I47-L54 HydrophobicContact CD1-CD1 4.46Å; I47-L54 HydrophobicContact CD1-CD2 4.36Å; I47-L54 HydrophobicContact CD1-CG 4.37Å; I47-L54 HydrophobicContact CG2-CD2 4.35Å; F51-L54 PolarHBondContact O-N 3.35Å; L54-R57 HydrophobicContact CB-CB 4.45Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-R57 VanDerWaalsContact O-N 3.17Å
55K83.9Confident90.1Very high160 Ų16069.1 Ų69.170%0.69633%0.333SS*.THydrogen-bonded Turntrans-50.6142.9-177.3-65.6-173179.5-175.50111.9P53 R57P53-K55 PolarHBondContact O-N 3.31Å; P53-K55 VanDerWaalsContact O-N 3.07Å; K55-R57 VanDerWaalsContact O-CZ 3.31Å; K55-R57 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-NE 2.86Å; K55-R57 PolarHBondContact O-NH2 3.42Å
56Q83.6Confident90Very high161 Ų16166.8 Ų66.875%0.75232%0.323SS*.THydrogen-bonded Turntrans62.89.6179.5-58.2178.5-61.900115.6Q34Q34-Q56 WeakPolarHBondContact CG-O 3.47Å; Q34-Q56 PolarHBondContact NE2-O 3.03Å
57R90.2Very high89.9Confident34 Ų3470.2 Ų70.213%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-121.7142.3175.4-72.7149.9-72.3-155.1-4.1110.5F25 V28 C29 N35 V37 L54 K55 T59F25-R57 PolarHBondContact O-NH1 2.86Å; F25-R57 VanDerWaalsContact O-NH1 3.15Å; V28-R57 HydrophobicContact CG1-CG 4.18Å; C29-R57 PolarHBondContact SG-NH1 2.9Å; N35-R57 CarbonylContact O-C 3.58Å; N35-R57 VanDerWaalsContact O-CA 3.31Å; N35-R57 WeakPolarHBondContact O-CA 3.26Å; V37-R57 HydrophobicContact CG1-CB 4.18Å; V37-R57 HydrophobicContact CG1-CG 4.23Å; V37-R57 HydrophobicContact CG2-CB 4.21Å; L54-R57 HydrophobicContact CB-CB 4.45Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-R57 VanDerWaalsContact O-N 3.17Å; K55-R57 VanDerWaalsContact O-CZ 3.31Å; K55-R57 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-NE 2.86Å; K55-R57 PolarHBondContact O-NH2 3.42Å; R57-T59 PolarHBondContact O-N 3.07Å
58F92.3Very high89.6Confident47 Ų4776 Ų7621%0.20636%0.356CS..EExtended strand (participates in β ladder)trans-76.3109.2170.9-170.1-91.5000108.7Q34 N35 A36 V37 I60 F73 F84 L85 M90 I94Q34-F58 HydrophobicContact CG-CB 4.29Å; N35-F58 PolarHBondContact O-N 2.87Å; A36-F58 CarbonylContact C-O 3.6Å; A36-F58 VanDerWaalsContact CA-O 3.28Å; A36-F58 WeakPolarHBondContact CA-O 3.41Å; A36-F58 HydrophobicContact CB-CB 4.3Å; V37-F58 PolarHBondContact N-O 2.87Å; F58-I60 HydrophobicContact CD1-CD1 4.08Å; F58-I60 HydrophobicContact CD1-CG1 3.75Å; F58-I60 HydrophobicContact CE1-CD1 4Å; F58-I60 HydrophobicContact CE1-CG1 3.6Å; F58-F73 HydrophobicContact CE1-CB 3.76Å; F58-F73 HydrophobicContact CE1-CG 4.45Å; F58-F73 HydrophobicContact CZ-CB 3.77Å; F58-F73 HydrophobicContact CZ-CG 4.47Å; F58-F84 HydrophobicContact CE1-CD1 4.27Å; F58-F84 AromaticContact CE1-CE1 3.52Å; F58-F84 HydrophobicContact CE1-CE1 3.52Å; F58-F84 HydrophobicContact CE1-CZ 4.42Å; F58-F84 AromaticContact CZ-CE1 3.51Å; F58-F84 HydrophobicContact CZ-CE1 3.51Å; F58-F84 AromaticContact CZ-CZ 3.97Å; F58-F84 HydrophobicContact CZ-CZ 3.97Å; F58-L85 HydrophobicContact CD1-CD2 4.44Å; F58-M90 HydrophobicContact CD1-CE 3.93Å; F58-M90 HydrophobicContact CD2-CE 3.81Å; F58-M90 HydrophobicContact CE1-CE 3.93Å; F58-M90 HydrophobicContact CE2-CE 3.8Å; F58-M90 HydrophobicContact CG-CE 3.88Å; F58-M90 HydrophobicContact CZ-CE 3.86Å; F58-I94 HydrophobicContact CB-CD1 3.72Å; F58-I94 HydrophobicContact CG-CD1 4.31Å
59T94.1Very high89.2Confident3 Ų375.4 Ų75.42%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-91.5124.1-174.7-59.80000111V37 M39 Y44 R57 V61 F72 F73V37-T59 HydrophobicContact CG2-CG2 4.13Å; M39-T59 HydrophobicContact CE-CG2 4.31Å; Y44-T59 HydrophobicContact CD2-CG2 4.1Å; Y44-T59 HydrophobicContact CE2-CG2 4.01Å; R57-T59 PolarHBondContact O-N 3.07Å; T59-V61 HydrophobicContact CG2-CG2 4.22Å; T59-F72 HydrophobicContact CG2-CB 4.02Å; T59-F72 WeakPolarHBondContact O-CA 3.49Å; T59-F72 WeakPolarHBondContact O-CB 3.23Å; T59-F73 PolarHBondContact O-N 3.27Å
60I95.9Very high88.9Confident0 Ų079.4 Ų79.40%037%0.371CS..EExtended strand (participates in β ladder)trans-114.2122.7173-60172.7000109.1V37 I38 M39 F58 L62 F73 A75 A81 F84 L85V37-I60 PolarHBondContact O-N 2.91Å; I38-I60 WeakPolarHBondContact CA-O 3.27Å; I38-I60 HydrophobicContact CG1-CB 4.23Å; I38-I60 HydrophobicContact CG1-CD1 4.2Å; M39-I60 PolarHBondContact N-O 2.84Å; F58-I60 HydrophobicContact CD1-CD1 4.08Å; F58-I60 HydrophobicContact CD1-CG1 3.75Å; F58-I60 HydrophobicContact CE1-CD1 4Å; F58-I60 HydrophobicContact CE1-CG1 3.6Å; I60-L62 HydrophobicContact CG2-CD2 4.18Å; I60-F73 CarbonylContact C-O 3.57Å; I60-F73 VanDerWaalsContact CA-O 3.31Å; I60-F73 WeakPolarHBondContact CA-O 3.27Å; I60-F73 HydrophobicContact CG1-CB 4.21Å; I60-F73 HydrophobicContact CG1-CD1 4.12Å; I60-F73 HydrophobicContact CG2-CD1 4.03Å; I60-A75 HydrophobicContact CG2-CB 3.88Å; I60-A81 HydrophobicContact CD1-CB 4.32Å; I60-A81 HydrophobicContact CG2-CB 3.81Å; I60-F84 HydrophobicContact CD1-CD1 4.44Å; I60-L85 HydrophobicContact CD1-CD1 3.74Å; I60-L85 HydrophobicContact CD1-CD2 3.78Å; I60-L85 HydrophobicContact CD1-CG 3.65Å
61V96.6Very high88.7Confident0 Ų078 Ų780%037%0.367CS..EExtended strand (participates in β ladder)trans-105.7120.4176.1-173.90000109.5M39 R41 Y44 T59 S63 M66 F72 F73 V74 A75M39-V61 CarbonylContact O-C 3.53Å; M39-V61 WeakPolarHBondContact O-CA 3.44Å; R41-V61 HydrophobicContact CB-CG1 4.42Å; Y44-V61 HydrophobicContact CD1-CG2 4.11Å; Y44-V61 HydrophobicContact CD2-CG2 3.56Å; Y44-V61 HydrophobicContact CE2-CG2 4.07Å; Y44-V61 HydrophobicContact CG-CG1 4.38Å; Y44-V61 HydrophobicContact CG-CG2 3.58Å; T59-V61 HydrophobicContact CG2-CG2 4.22Å; V61-S63 PolarHBondContact O-N 2.75Å; V61-M66 HydrophobicContact CB-SD 4.32Å; V61-M66 HydrophobicContact CG1-SD 3.76Å; V61-F72 HydrophobicContact CB-CD2 4.17Å; V61-F72 HydrophobicContact CB-CE2 4.42Å; V61-F72 HydrophobicContact CG2-CD2 3.64Å; V61-F72 HydrophobicContact CG2-CE2 4.12Å; V61-F72 HydrophobicContact CG2-CG 4.22Å; V61-F73 PolarHBondContact N-O 3.25Å; V61-V74 WeakPolarHBondContact O-CA 3.5Å; V61-A75 PolarHBondContact O-N 3.44Å
62L97.1Very high89Confident18 Ų1875.8 Ų75.89%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-79.3113.1172.9-54.6-168.2000109.1I38 M39 R41 I60 A75 S77 L78 A81 V105I38-L62 HydrophobicContact CG2-CD1 3.98Å; I38-L62 HydrophobicContact CG2-CD2 3.85Å; I38-L62 HydrophobicContact CG2-CG 3.83Å; M39-L62 PolarHBondContact O-N 2.66Å; R41-L62 PolarHBondContact N-O 3Å; R41-L62 VanDerWaalsContact N-O 3.13Å; I60-L62 HydrophobicContact CG2-CD2 4.18Å; L62-A75 WeakPolarHBondContact CA-O 3.22Å; L62-A75 HydrophobicContact CD2-CB 3.76Å; L62-S77 WeakPolarHBondContact CD2-O 3.31Å; L62-L78 HydrophobicContact CD1-CB 4.21Å; L62-L78 HydrophobicContact CD1-CD1 4.49Å; L62-A81 HydrophobicContact CD2-CB 3.93Å; L62-V105 HydrophobicContact CD1-CB 4.47Å; L62-V105 HydrophobicContact CD1-CG1 3.68Å; L62-V105 HydrophobicContact CD1-CG2 4.01Å
63S96.4Very high89.3Confident8 Ų874.4 Ų74.46%0.05635%0.353CS..  trans-156.4143.2176.5-169.40000112.9V61 D65 M66 A75 R76V61-S63 PolarHBondContact O-N 2.75Å; S63-D65 PolarHBondContact OG-N 3.3Å; S63-D65 PolarHBondContact OG-OD1 2.98Å; S63-M66 VanDerWaalsContact CB-CB 3.42Å; S63-M66 WeakPolarHBondContact OG-CB 3.35Å; S63-M66 PolarHBondContact OG-N 2.87Å; S63-A75 PolarHBondContact N-O 3.44Å; S63-R76 WeakPolarHBondContact O-CD 3.29Å; S63-R76 PolarHBondContact O-NH1 3Å
64R92.6Very high89.8Confident221 Ų22173.2 Ų73.283%0.83435%0.346SS*.SBendtrans-87.5-23.6175.7-63.7-178.7-176.81720.6113.2R76R64-R76 VanDerWaalsContact C-NH1 3.31Å; R64-R76 PolarHBondContact O-NH1 2.8Å
65D91.5Very high90.4Very high109 Ų10972.8 Ų72.858%0.58334%0.344SS*.SBendtrans-119.8-9.6-171.459.4-3.1000113.7S63S63-D65 PolarHBondContact OG-N 3.3Å; S63-D65 PolarHBondContact OG-OD1 2.98Å
66M90.5Very high90.9Very high36 Ų3671 Ų7118%0.17733%0.333CS..PPolyproline II helixtrans-75.6143.3177.4-161.2169.8-128.200110.6R41 Y44 V61 S63 F72 V74 R76R41-M66 HydrophobicContact CG-CE 4.19Å; R41-M66 HydrophobicContact CG-SD 4.38Å; Y44-M66 HydrophobicContact CD1-CE 4.23Å; Y44-M66 HydrophobicContact CE1-CE 4.46Å; V61-M66 HydrophobicContact CB-SD 4.32Å; V61-M66 HydrophobicContact CG1-SD 3.76Å; S63-M66 VanDerWaalsContact CB-CB 3.42Å; S63-M66 WeakPolarHBondContact OG-CB 3.35Å; S63-M66 PolarHBondContact OG-N 2.87Å; M66-F72 HydrophobicContact CE-CZ 4.39Å; M66-F72 HydrophobicContact CG-CE2 4.49Å; M66-F72 HydrophobicContact SD-CE2 3.83Å; M66-F72 HydrophobicContact SD-CZ 4.16Å; M66-V74 HydrophobicContact CB-CG1 4.24Å; M66-V74 HydrophobicContact CB-CG2 4.37Å; M66-V74 HydrophobicContact CG-CG2 4.21Å; M66-V74 HydrophobicContact SD-CG2 4.42Å; M66-R76 PolarHBondContact O-NH1 2.86Å; M66-R76 PolarHBondContact O-NH2 3.48Å
67H86.8Confident91.5Very high161 Ų16164.9 Ų64.975%0.74531%0.308SS*.PPolyproline II helixtrans-88.4148171.1-62.1-77.1000110.3
68E79.8Confident91.8Very high139 Ų13963.3 Ų63.365%0.6530%0.302SS*.PPolyproline II helixtrans-61144.9172.6-71.9179.2-16700110.9V74E68-V74 HydrophobicContact CG-CB 4Å; E68-V74 HydrophobicContact CG-CG2 4.39Å
69A80.1Confident91.9Very high40 Ų4064.8 Ų64.833%0.33131%0.312SS..BIsolated β-bridgetrans-128156.4172.800000108.9E71 F72A69-E71 PolarHBondContact O-N 2.84Å; A69-F72 HydrophobicContact CB-CD1 4.01Å; A69-F72 HydrophobicContact CB-CE1 3.48Å; A69-F72 VanDerWaalsContact CB-CE1 3.48Å; A69-F72 HydrophobicContact CB-CE2 4.34Å; A69-F72 HydrophobicContact CB-CZ 3.67Å; A69-F72 PolarHBondContact O-N 2.95Å
70N81.4Confident92Very high181 Ų18168 Ų6897%0.96833%0.329SS*.THydrogen-bonded Turntrans-62.5-18.6-178.9-66.4-16.1000113.5
71E85.9Confident92Very high133 Ų13368 Ų6862%0.62133%0.329SS*.THydrogen-bonded Turntrans-95.8-14.5-172.2-64.1-176.9101.900114.1P53 A69P53-E71 WeakPolarHBondContact CB-O 3.46Å; P53-E71 HydrophobicContact CG-CB 3.96Å; P53-E71 WeakPolarHBondContact CG-O 3.22Å; A69-E71 PolarHBondContact O-N 2.84Å
72F92Very high91.9Very high25 Ų2568.2 Ų68.211%0.1133%0.33CS..BIsolated β-bridgetrans-156.215118060.7-90.6000111.4Y44 T59 V61 M66 A69 V74Y44-F72 HydrophobicContact CE1-CD1 4.37Å; Y44-F72 AromaticContact CE1-CE1 4Å; Y44-F72 HydrophobicContact CE1-CE1 4Å; Y44-F72 HydrophobicContact CE1-CZ 4.19Å; Y44-F72 HydrophobicContact CE2-CD1 4.33Å; Y44-F72 HydrophobicContact CE2-CG 4.49Å; Y44-F72 AromaticContact CZ-CD1 3.72Å; Y44-F72 AromaticContact CZ-CE1 3.77Å; Y44-F72 WeakPolarHBondContact OH-CD1 3.39Å; Y44-F72 VanDerWaalsContact OH-CE1 3.23Å; Y44-F72 WeakPolarHBondContact OH-CE1 3.45Å; T59-F72 HydrophobicContact CG2-CB 4.02Å; T59-F72 WeakPolarHBondContact O-CA 3.49Å; T59-F72 WeakPolarHBondContact O-CB 3.23Å; V61-F72 HydrophobicContact CB-CD2 4.17Å; V61-F72 HydrophobicContact CB-CE2 4.42Å; V61-F72 HydrophobicContact CG2-CD2 3.64Å; V61-F72 HydrophobicContact CG2-CE2 4.12Å; V61-F72 HydrophobicContact CG2-CG 4.22Å; M66-F72 HydrophobicContact CE-CZ 4.39Å; M66-F72 HydrophobicContact CG-CE2 4.49Å; M66-F72 HydrophobicContact SD-CE2 3.83Å; M66-F72 HydrophobicContact SD-CZ 4.16Å; A69-F72 HydrophobicContact CB-CD1 4.01Å; A69-F72 HydrophobicContact CB-CE1 3.48Å; A69-F72 VanDerWaalsContact CB-CE1 3.48Å; A69-F72 HydrophobicContact CB-CE2 4.34Å; A69-F72 HydrophobicContact CB-CZ 3.67Å; A69-F72 PolarHBondContact O-N 2.95Å; F72-V74 HydrophobicContact CD2-CG2 3.92Å; F72-V74 HydrophobicContact CE2-CG2 3.57Å
73F94.1Very high91.8Very high45 Ų4575 Ų7520%0.19736%0.359CS..EExtended strand (participates in β ladder)trans-88.2140.2177.4-177.4-104.9000111F58 T59 I60 V61 A75 F84F58-F73 HydrophobicContact CE1-CB 3.76Å; F58-F73 HydrophobicContact CE1-CG 4.45Å; F58-F73 HydrophobicContact CZ-CB 3.77Å; F58-F73 HydrophobicContact CZ-CG 4.47Å; T59-F73 PolarHBondContact O-N 3.27Å; I60-F73 CarbonylContact C-O 3.57Å; I60-F73 VanDerWaalsContact CA-O 3.31Å; I60-F73 WeakPolarHBondContact CA-O 3.27Å; I60-F73 HydrophobicContact CG1-CB 4.21Å; I60-F73 HydrophobicContact CG1-CD1 4.12Å; I60-F73 HydrophobicContact CG2-CD1 4.03Å; V61-F73 PolarHBondContact N-O 3.25Å; F73-A75 HydrophobicContact CD1-CB 4.33Å; F73-A75 HydrophobicContact CE1-CB 3.96Å; F73-F84 AromaticContact CD1-CD1 3.97Å; F73-F84 HydrophobicContact CD1-CD1 3.97Å; F73-F84 HydrophobicContact CD1-CE1 4.28Å; F73-F84 HydrophobicContact CD1-CG 4.3Å; F73-F84 HydrophobicContact CD2-CE1 4.38Å; F73-F84 HydrophobicContact CD2-CE2 4.42Å; F73-F84 HydrophobicContact CD2-CZ 4.24Å; F73-F84 HydrophobicContact CE1-CB 3.99Å; F73-F84 AromaticContact CE1-CD1 3.9Å; F73-F84 HydrophobicContact CE1-CD1 3.9Å; F73-F84 HydrophobicContact CE1-CD2 4.26Å; F73-F84 AromaticContact CE1-CG 3.76Å; F73-F84 HydrophobicContact CE1-CG 3.76Å; F73-F84 HydrophobicContact CE2-CD2 4.08Å; F73-F84 HydrophobicContact CE2-CE2 4.06Å; F73-F84 HydrophobicContact CE2-CG 4.37Å; F73-F84 HydrophobicContact CE2-CZ 4.33Å; F73-F84 HydrophobicContact CG-CD1 4.36Å; F73-F84 HydrophobicContact CG-CE1 4.21Å; F73-F84 HydrophobicContact CZ-CB 4.21Å; F73-F84 HydrophobicContact CZ-CD1 4.26Å; F73-F84 AromaticContact CZ-CD2 3.82Å; F73-F84 HydrophobicContact CZ-CD2 3.82Å; F73-F84 HydrophobicContact CZ-CE2 4.27Å; F73-F84 AromaticContact CZ-CG 3.81Å; F73-F84 HydrophobicContact CZ-CG 3.81Å
74V96.3Very high91.8Very high6 Ų677.2 Ų77.24%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-106.7121.3174.5177.70000109.4V61 M66 E68 F72V61-V74 WeakPolarHBondContact O-CA 3.5Å; M66-V74 HydrophobicContact CB-CG1 4.24Å; M66-V74 HydrophobicContact CB-CG2 4.37Å; M66-V74 HydrophobicContact CG-CG2 4.21Å; M66-V74 HydrophobicContact SD-CG2 4.42Å; E68-V74 HydrophobicContact CG-CB 4Å; E68-V74 HydrophobicContact CG-CG2 4.39Å; F72-V74 HydrophobicContact CD2-CG2 3.92Å; F72-V74 HydrophobicContact CE2-CG2 3.57Å
75A96.5Very high91.9Very high2 Ų266.7 Ų66.72%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-110147.3173.300000110.5I60 V61 L62 S63 F73 D80 A81I60-A75 HydrophobicContact CG2-CB 3.88Å; V61-A75 PolarHBondContact O-N 3.44Å; L62-A75 WeakPolarHBondContact CA-O 3.22Å; L62-A75 HydrophobicContact CD2-CB 3.76Å; S63-A75 PolarHBondContact N-O 3.44Å; F73-A75 HydrophobicContact CD1-CB 4.33Å; F73-A75 HydrophobicContact CE1-CB 3.96Å; A75-D80 HydrophobicContact CB-CB 4.18Å; A75-A81 HydrophobicContact CB-CB 3.79Å
76R95.7Very high91.9Very high122 Ų12268.4 Ų68.446%0.4633%0.326SS..SBendtrans-84.1-18.8-179-56.1-53.4-173.8-168.8-0.6113.1S63 R64 M66 D80S63-R76 WeakPolarHBondContact O-CD 3.29Å; S63-R76 PolarHBondContact O-NH1 3Å; R64-R76 VanDerWaalsContact C-NH1 3.31Å; R64-R76 PolarHBondContact O-NH1 2.8Å; M66-R76 PolarHBondContact O-NH1 2.86Å; M66-R76 PolarHBondContact O-NH2 3.48Å; R76-D80 WeakPolarHBondContact CB-OD2 3.46Å
77S95.6Very high92.1Very high33 Ų3368 Ų6823%0.23133%0.327CS..SBendtrans-152.1167.9178.464.70000111L62 D79 D80 A81L62-S77 WeakPolarHBondContact CD2-O 3.31Å; S77-D79 PolarHBondContact O-N 3.25Å; S77-D79 PolarHBondContact OG-N 2.95Å; S77-D80 PolarHBondContact N-OD2 3.05Å; S77-D80 PolarHBondContact O-N 3.41Å; S77-D80 PolarHBondContact OG-N 3.28Å; S77-D80 PolarHBondContact OG-OD2 3.5Å; S77-A81 PolarHBondContact O-N 3.36Å
78L96.2Very high92.3Very high1 Ų165.7 Ų65.71%0.00533%0.326CS..Hα-helixtrans-62.7-35.4171.3-175.958000111I38 L62 A81 L82 E108 A109I38-L78 HydrophobicContact CD1-CD1 4.06Å; I38-L78 HydrophobicContact CG2-CD1 3.9Å; L62-L78 HydrophobicContact CD1-CB 4.21Å; L62-L78 HydrophobicContact CD1-CD1 4.49Å; L78-A81 WeakPolarHBondContact O-CB 3.41Å; L78-A81 PolarHBondContact O-N 3.3Å; L78-L82 HydrophobicContact CD1-CD1 4.46Å; L78-L82 HydrophobicContact CD1-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.1Å; L78-L82 HydrophobicContact CG-CG 4.34Å; L78-L82 VanDerWaalsContact O-CG 3.29Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.43Å; L78-E108 HydrophobicContact CB-CG 4.2Å; L78-E108 VanDerWaalsContact CB-OE1 3.27Å; L78-E108 WeakPolarHBondContact CB-OE1 3.36Å; L78-E108 HydrophobicContact CD2-CB 4.43Å; L78-E108 HydrophobicContact CD2-CG 4.06Å; L78-A109 HydrophobicContact CD2-CB 3.93Å
79D95Very high92.8Very high77 Ų7763.1 Ų63.141%0.41232%0.323SS..Hα-helixtrans-61-45.2175-81.4-31.3000112.6S77 A81 L82 K83 R112S77-D79 PolarHBondContact O-N 3.25Å; S77-D79 PolarHBondContact OG-N 2.95Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 2.8Å; D79-L82 PolarHBondContact O-N 3.02Å; D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 PolarHBondContact O-N 3.44Å; D79-R112 IonicContact OD1-CZ 2.99Å; D79-R112 IonicContact OD1-NH1 3.03Å; D79-R112 PolarHBondContact OD1-NH1 2.77Å; D79-R112 IonicContact OD1-NH2 3.67Å; D79-R112 PolarHBondContact OD1-NH2 3.43Å; D79-R112 IonicContact OD2-CZ 3Å; D79-R112 IonicContact OD2-NH1 2.75Å; D79-R112 PolarHBondContact OD2-NH1 3.26Å; D79-R112 IonicContact OD2-NH2 2.75Å; D79-R112 PolarHBondContact OD2-NH2 2.75Å
80D95.5Very high93.3Very high71 Ų7162.1 Ų62.138%0.3831%0.312SS..Hα-helixtrans-62.3-40.3177.8-62.6-42.4000111A75 R76 S77 F84A75-D80 HydrophobicContact CB-CB 4.18Å; R76-D80 WeakPolarHBondContact CB-OD2 3.46Å; S77-D80 PolarHBondContact N-OD2 3.05Å; S77-D80 PolarHBondContact O-N 3.41Å; S77-D80 PolarHBondContact OG-N 3.28Å; S77-D80 PolarHBondContact OG-OD2 3.5Å; D80-F84 VanDerWaalsContact O-CB 3.31Å; D80-F84 WeakPolarHBondContact O-CB 3.24Å; D80-F84 PolarHBondContact O-N 3.18Å
81A96.2Very high93.6Very high0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-62.6-48.2175.800000111.7I38 I60 L62 A75 S77 L78 D79 F84 L85I38-A81 HydrophobicContact CD1-CB 4.33Å; I38-A81 HydrophobicContact CG2-CB 4.4Å; I60-A81 HydrophobicContact CD1-CB 4.32Å; I60-A81 HydrophobicContact CG2-CB 3.81Å; L62-A81 HydrophobicContact CD2-CB 3.93Å; A75-A81 HydrophobicContact CB-CB 3.79Å; S77-A81 PolarHBondContact O-N 3.36Å; L78-A81 WeakPolarHBondContact O-CB 3.41Å; L78-A81 PolarHBondContact O-N 3.3Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 2.8Å; A81-F84 PolarHBondContact O-N 2.91Å; A81-L85 VanDerWaalsContact O-CG 3.31Å; A81-L85 WeakPolarHBondContact O-CG 3.31Å; A81-L85 PolarHBondContact O-N 2.94Å
82L95.2Very high93.7Very high4 Ų456.5 Ų56.52%0.02129%0.29CS..Hα-helixtrans-67-39.4179.8-67.1176.9000111.8M1 L3 I38 L78 D79 L85 R86M1-L82 HydrophobicContact CE-CD2 4.44Å; L3-L82 HydrophobicContact CD1-CD2 3.91Å; L3-L82 HydrophobicContact CD2-CD1 4.27Å; L3-L82 HydrophobicContact CD2-CD2 4.16Å; I38-L82 HydrophobicContact CD1-CD2 4.16Å; L78-L82 HydrophobicContact CD1-CD1 4.46Å; L78-L82 HydrophobicContact CD1-CG 4.27Å; L78-L82 HydrophobicContact CG-CD1 4.1Å; L78-L82 HydrophobicContact CG-CG 4.34Å; L78-L82 VanDerWaalsContact O-CG 3.29Å; L78-L82 WeakPolarHBondContact O-CG 3.39Å; L78-L82 PolarHBondContact O-N 3.43Å; D79-L82 PolarHBondContact O-N 3.02Å; L82-L85 PolarHBondContact O-N 3.49Å; L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.27Å; L82-R86 WeakPolarHBondContact O-CG 3.24Å; L82-R86 PolarHBondContact O-N 2.96Å
83K95.1Very high93.5Very high160 Ų16057.4 Ų57.470%0.69630%0.302SS*.Hα-helixtrans-62.1-43.5174.6-176.9178.7178.9-179.90111.2D79 R86 S87D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 PolarHBondContact O-N 3.44Å; K83-R86 PolarHBondContact O-N 2.66Å; K83-S87 PolarHBondContact O-N 3.46Å
84F95.1Very high93.4Very high56 Ų5655.4 Ų55.425%0.24629%0.293CS..Hα-helixtrans-62-45.9175.2174.8-101.2000111.8F58 I60 F73 D80 A81 R86 S87 M90F58-F84 HydrophobicContact CE1-CD1 4.27Å; F58-F84 AromaticContact CE1-CE1 3.52Å; F58-F84 HydrophobicContact CE1-CE1 3.52Å; F58-F84 HydrophobicContact CE1-CZ 4.42Å; F58-F84 AromaticContact CZ-CE1 3.51Å; F58-F84 HydrophobicContact CZ-CE1 3.51Å; F58-F84 AromaticContact CZ-CZ 3.97Å; F58-F84 HydrophobicContact CZ-CZ 3.97Å; I60-F84 HydrophobicContact CD1-CD1 4.44Å; F73-F84 AromaticContact CD1-CD1 3.97Å; F73-F84 HydrophobicContact CD1-CD1 3.97Å; F73-F84 HydrophobicContact CD1-CE1 4.28Å; F73-F84 HydrophobicContact CD1-CG 4.3Å; F73-F84 HydrophobicContact CD2-CE1 4.38Å; F73-F84 HydrophobicContact CD2-CE2 4.42Å; F73-F84 HydrophobicContact CD2-CZ 4.24Å; F73-F84 HydrophobicContact CE1-CB 3.99Å; F73-F84 AromaticContact CE1-CD1 3.9Å; F73-F84 HydrophobicContact CE1-CD1 3.9Å; F73-F84 HydrophobicContact CE1-CD2 4.26Å; F73-F84 AromaticContact CE1-CG 3.76Å; F73-F84 HydrophobicContact CE1-CG 3.76Å; F73-F84 HydrophobicContact CE2-CD2 4.08Å; F73-F84 HydrophobicContact CE2-CE2 4.06Å; F73-F84 HydrophobicContact CE2-CG 4.37Å; F73-F84 HydrophobicContact CE2-CZ 4.33Å; F73-F84 HydrophobicContact CG-CD1 4.36Å; F73-F84 HydrophobicContact CG-CE1 4.21Å; F73-F84 HydrophobicContact CZ-CB 4.21Å; F73-F84 HydrophobicContact CZ-CD1 4.26Å; F73-F84 AromaticContact CZ-CD2 3.82Å; F73-F84 HydrophobicContact CZ-CD2 3.82Å; F73-F84 HydrophobicContact CZ-CE2 4.27Å; F73-F84 AromaticContact CZ-CG 3.81Å; F73-F84 HydrophobicContact CZ-CG 3.81Å; D80-F84 VanDerWaalsContact O-CB 3.31Å; D80-F84 WeakPolarHBondContact O-CB 3.24Å; D80-F84 PolarHBondContact O-N 3.18Å; A81-F84 PolarHBondContact O-N 2.91Å; F84-R86 PolarHBondContact O-N 3.36Å; F84-S87 VanDerWaalsContact O-CB 3.24Å; F84-S87 WeakPolarHBondContact O-CB 3.47Å; F84-S87 PolarHBondContact O-N 3.19Å; F84-S87 PolarHBondContact O-OG 2.72Å; F84-M90 HydrophobicContact CD1-CG 4.08Å; F84-M90 HydrophobicContact CE1-CE 3.86Å; F84-M90 HydrophobicContact CE1-CG 3.57Å; F84-M90 HydrophobicContact CE1-SD 3.71Å; F84-M90 HydrophobicContact CE2-CG 4.19Å; F84-M90 HydrophobicContact CZ-CE 4.36Å; F84-M90 HydrophobicContact CZ-CG 3.65Å; F84-M90 HydrophobicContact CZ-SD 3.64Å; F84-M90 WeakPolarHBondContact O-CB 3.34Å; F84-M90 WeakPolarHBondContact O-CG 3.37Å
85L94.8Very high93.1Very high0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-65.8-25.3178.4-72.1175000113.9M1 A36 I38 F58 I60 A81 L82 S87 M90 E91 I94 A97M1-L85 HydrophobicContact CE-CB 3.73Å; M1-L85 HydrophobicContact CE-CD1 4.16Å; M1-L85 HydrophobicContact SD-CB 3.71Å; M1-L85 HydrophobicContact SD-CD1 4.07Å; M1-L85 HydrophobicContact SD-CG 4.37Å; A36-L85 HydrophobicContact CB-CD1 3.93Å; A36-L85 HydrophobicContact CB-CD2 3.6Å; A36-L85 HydrophobicContact CB-CG 4.44Å; I38-L85 HydrophobicContact CD1-CD1 3.93Å; I38-L85 HydrophobicContact CG1-CD1 4.4Å; F58-L85 HydrophobicContact CD1-CD2 4.44Å; I60-L85 HydrophobicContact CD1-CD1 3.74Å; I60-L85 HydrophobicContact CD1-CD2 3.78Å; I60-L85 HydrophobicContact CD1-CG 3.65Å; A81-L85 VanDerWaalsContact O-CG 3.31Å; A81-L85 WeakPolarHBondContact O-CG 3.31Å; A81-L85 PolarHBondContact O-N 2.94Å; L82-L85 PolarHBondContact O-N 3.49Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-M90 HydrophobicContact CD2-CE 4.22Å; L85-M90 WeakPolarHBondContact O-CB 3.47Å; L85-E91 PolarHBondContact O-N 2.94Å; L85-I94 HydrophobicContact CD2-CG1 3.98Å; L85-I94 HydrophobicContact CD2-CG2 4.37Å; L85-A97 HydrophobicContact CD1-CB 3.8Å
86R93.1Very high92.8Very high144 Ų14458.9 Ų58.954%0.54331%0.309SS..THydrogen-bonded Turntrans-85.50.7173.1-70.6172.2177.9166.7-2.4113.7L82 K83 F84L82-R86 WeakPolarHBondContact O-CB 3.5Å; L82-R86 VanDerWaalsContact O-CG 3.27Å; L82-R86 WeakPolarHBondContact O-CG 3.24Å; L82-R86 PolarHBondContact O-N 2.96Å; K83-R86 PolarHBondContact O-N 2.66Å; F84-R86 PolarHBondContact O-N 3.36Å
87S94.2Very high92.8Very high29 Ų2953.1 Ų53.120%0.20329%0.287CS..SBendtrans-68.8149.917467.90000110.7K83 F84 L85 S89 M90 E91K83-S87 PolarHBondContact O-N 3.46Å; F84-S87 VanDerWaalsContact O-CB 3.24Å; F84-S87 WeakPolarHBondContact O-CB 3.47Å; F84-S87 PolarHBondContact O-N 3.19Å; F84-S87 PolarHBondContact O-OG 2.72Å; L85-S87 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 2.75Å; S87-S89 PolarHBondContact OG-OG 2.7Å; S87-M90 PolarHBondContact O-N 3.03Å; S87-M90 WeakPolarHBondContact OG-CG 3.46Å; S87-E91 WeakPolarHBondContact O-CB 3.32Å; S87-E91 PolarHBondContact O-N 2.83Å
88P91.4Very high92.7Very high112 Ų11252 Ų5273%0.72728%0.278SS*.Hα-helixtrans-53.9-33.5-177.7-2935.5000114.6S92P88-S92 PolarHBondContact O-OG 2.8Å
89S88.8Confident92.7Very high84 Ų8452 Ų5259%0.58728%0.278SS*.Hα-helixtrans-68.5-32.8177.147.40000113.4S87S87-S89 PolarHBondContact O-N 2.75Å; S87-S89 PolarHBondContact OG-OG 2.7Å
90M91.5Very high92.7Very high20 Ų2049.5 Ų49.510%0.09927%0.266CS..Hα-helixtrans-94.6-35.9-176.9-63.8-53.5-60.100112.2F58 F84 L85 S87 S92 A93 I94F58-M90 HydrophobicContact CD1-CE 3.93Å; F58-M90 HydrophobicContact CD2-CE 3.81Å; F58-M90 HydrophobicContact CE1-CE 3.93Å; F58-M90 HydrophobicContact CE2-CE 3.8Å; F58-M90 HydrophobicContact CG-CE 3.88Å; F58-M90 HydrophobicContact CZ-CE 3.86Å; F84-M90 HydrophobicContact CD1-CG 4.08Å; F84-M90 HydrophobicContact CE1-CE 3.86Å; F84-M90 HydrophobicContact CE1-CG 3.57Å; F84-M90 HydrophobicContact CE1-SD 3.71Å; F84-M90 HydrophobicContact CE2-CG 4.19Å; F84-M90 HydrophobicContact CZ-CE 4.36Å; F84-M90 HydrophobicContact CZ-CG 3.65Å; F84-M90 HydrophobicContact CZ-SD 3.64Å; F84-M90 WeakPolarHBondContact O-CB 3.34Å; F84-M90 WeakPolarHBondContact O-CG 3.37Å; L85-M90 HydrophobicContact CD2-CE 4.22Å; L85-M90 WeakPolarHBondContact O-CB 3.47Å; S87-M90 PolarHBondContact O-N 3.03Å; S87-M90 WeakPolarHBondContact OG-CG 3.46Å; M90-S92 PolarHBondContact O-N 2.81Å; M90-A93 PolarHBondContact O-N 2.8Å; M90-I94 HydrophobicContact CE-CD1 3.95Å; M90-I94 HydrophobicContact CE-CG1 3.65Å; M90-I94 WeakPolarHBondContact O-CB 3.42Å; M90-I94 WeakPolarHBondContact O-CG1 3.47Å; M90-I94 PolarHBondContact O-N 2.85Å
91E87.3Confident92.5Very high108 Ų10846.1 Ų46.151%0.50525%0.249SC..Hα-helixtrans-60.6-34.1-176.9-177.3172.8-154.100112.6L85 S87L85-E91 PolarHBondContact O-N 2.94Å; S87-E91 WeakPolarHBondContact O-CB 3.32Å; S87-E91 PolarHBondContact O-N 2.83Å
92S87.3Confident92.4Very high88 Ų8846.9 Ų46.962%0.61526%0.256SS*.THydrogen-bonded Turntrans-76.6-23174.956.20000113.6P88 M90P88-S92 PolarHBondContact O-OG 2.8Å; M90-S92 PolarHBondContact O-N 2.81Å
93A89Confident92.3Very high43 Ų4348.6 Ų48.636%0.35527%0.268SS..THydrogen-bonded Turntrans-97.6-27.4-175.100000113.8K33 Q34 M90K33-A93 WeakPolarHBondContact CB-O 3.35Å; Q34-A93 PolarHBondContact N-O 2.83Å; M90-A93 PolarHBondContact O-N 2.8Å
94I91.5Very high92.4Very high3 Ų345.3 Ų45.32%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-106.5122.6-173.3-57.4-60.2000111M1 Q34 A36 F58 L85 M90M1-I94 HydrophobicContact CG-CG2 4.38Å; M1-I94 HydrophobicContact SD-CG2 3.92Å; Q34-I94 HydrophobicContact CB-CD1 4.25Å; Q34-I94 HydrophobicContact CG-CD1 4.14Å; Q34-I94 VanDerWaalsContact O-CA 3.28Å; Q34-I94 WeakPolarHBondContact O-CA 3.25Å; A36-I94 HydrophobicContact CB-CD1 4.24Å; A36-I94 HydrophobicContact CB-CG1 4.46Å; A36-I94 HydrophobicContact CB-CG2 3.74Å; F58-I94 HydrophobicContact CB-CD1 3.72Å; F58-I94 HydrophobicContact CG-CD1 4.31Å; L85-I94 HydrophobicContact CD2-CG1 3.98Å; L85-I94 HydrophobicContact CD2-CG2 4.37Å; M90-I94 HydrophobicContact CE-CD1 3.95Å; M90-I94 HydrophobicContact CE-CG1 3.65Å; M90-I94 WeakPolarHBondContact O-CB 3.42Å; M90-I94 WeakPolarHBondContact O-CG1 3.47Å; M90-I94 PolarHBondContact O-N 2.85Å
95E89.4Confident92.4Very high73 Ų7342.8 Ų42.834%0.34126%0.255SS..EExtended strand (participates in β ladder)trans-80.5-56.4176.5-166.369.4177.900111L31 K33 Q34L31-E95 HydrophobicContact CB-CB 4.33Å; L31-E95 HydrophobicContact CB-CG 4.11Å; L31-E95 HydrophobicContact CD1-CB 3.89Å; L31-E95 HydrophobicContact CD1-CG 3.34Å; L31-E95 HydrophobicContact CG-CG 4.19Å; K33-E95 HydrophobicContact CB-CB 4.06Å; K33-E95 VanDerWaalsContact CD-OE2 3.22Å; K33-E95 WeakPolarHBondContact CD-OE2 3.41Å; K33-E95 WeakPolarHBondContact CE-OE2 3.28Å; K33-E95 IonicContact NZ-OE2 3.23Å; K33-E95 PolarHBondContact NZ-OE2 2.78Å; Q34-E95 PolarHBondContact O-N 2.99Å
96T91.5Very high92.5Very high9 Ų943.5 Ų43.56%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-133.8139.5-176.2-57.50000111.2L2 N4 N35 A36 W98L2-T96 HydrophobicContact CB-CG2 4.43Å; N4-T96 WeakPolarHBondContact ND2-CG2 3.28Å; N35-T96 WeakPolarHBondContact CA-O 3.37Å; N35-T96 WeakPolarHBondContact OD1-CB 3.31Å; N35-T96 PolarHBondContact OD1-N 2.9Å; A36-T96 PolarHBondContact N-O 2.88Å; T96-W98 HydrophobicContact CG2-CD2 4.34Å; T96-W98 HydrophobicContact CG2-CG 4.49Å; T96-W98 HydrophobicContact CG2-CZ2 4.04Å
97A94.2Very high92.7Very high0 Ų041.4 Ų41.40%025%0.252CS..EExtended strand (participates in β ladder)trans-97.2135.7168.800000110.7M1 L2 L3 N4 A36 I38 L85M1-A97 HydrophobicContact CE-CB 3.94Å; M1-A97 HydrophobicContact CG-CB 4.37Å; M1-A97 HydrophobicContact SD-CB 3.78Å; L2-A97 PolarHBondContact O-N 2.84Å; L3-A97 CarbonylContact C-O 3.56Å; L3-A97 WeakPolarHBondContact CA-O 3.14Å; L3-A97 HydrophobicContact CD1-CB 3.81Å; N4-A97 PolarHBondContact N-O 3.35Å; A36-A97 CarbonylContact O-C 3.54Å; A36-A97 WeakPolarHBondContact O-CA 3.47Å; I38-A97 HydrophobicContact CD1-CB 4.35Å; L85-A97 HydrophobicContact CD1-CB 3.8Å
98W95.1Very high92.7Very high11 Ų1142.7 Ų42.74%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-122123.3-177.6-65.286.3000110.6N4 I6 V28 A36 V37 I38 T96 Y119N4-W98 HydrophobicContact CB-CD2 4.06Å; N4-W98 HydrophobicContact CB-CE3 3.55Å; N4-W98 HydrophobicContact CB-CH2 4.04Å; N4-W98 HydrophobicContact CB-CZ2 4.49Å; N4-W98 HydrophobicContact CB-CZ3 3.55Å; N4-W98 CarbonylContact O-C 3.5Å; N4-W98 WeakPolarHBondContact O-CA 3.4Å; I6-W98 HydrophobicContact CB-CE3 4.13Å; I6-W98 HydrophobicContact CB-CZ3 4.4Å; I6-W98 HydrophobicContact CG2-CE3 4.21Å; V28-W98 HydrophobicContact CG1-CB 4.25Å; V28-W98 HydrophobicContact CG1-CD2 4.43Å; V28-W98 HydrophobicContact CG1-CG 3.88Å; V28-W98 HydrophobicContact CG2-CD2 4.07Å; V28-W98 HydrophobicContact CG2-CE3 4.25Å; V28-W98 HydrophobicContact CG2-CG 4.2Å; A36-W98 PolarHBondContact O-N 3.34Å; V37-W98 CarbonylContact C-O 3.6Å; V37-W98 WeakPolarHBondContact CA-O 3.28Å; V37-W98 HydrophobicContact CG1-CB 4.44Å; I38-W98 PolarHBondContact N-O 2.86Å; T96-W98 HydrophobicContact CG2-CD2 4.34Å; T96-W98 HydrophobicContact CG2-CG 4.49Å; T96-W98 HydrophobicContact CG2-CZ2 4.04Å; W98-Y119 AromaticContact CH2-CD2 3.98Å; W98-Y119 HydrophobicContact CH2-CD2 3.98Å; W98-Y119 AromaticContact CH2-CE2 3.67Å; W98-Y119 HydrophobicContact CH2-CE2 3.67Å; W98-Y119 AromaticContact CH2-CZ 3.99Å; W98-Y119 AromaticContact CZ3-CD2 3.53Å; W98-Y119 HydrophobicContact CZ3-CD2 3.53Å; W98-Y119 AromaticContact CZ3-CE2 3.69Å; W98-Y119 HydrophobicContact CZ3-CE2 3.69Å; W98-Y119 HydrophobicContact CZ3-CG 4.09Å
99V95.8Very high92.9Very high0 Ų037.4 Ų37.40%022%0.221CC..EExtended strand (participates in β ladder)trans-83.6114.8167.9179.60000108.4L3 N4 I5 I6 V105 Y106 A109L3-V99 HydrophobicContact CD1-CG2 3.84Å; L3-V99 HydrophobicContact CG-CG2 4.42Å; N4-V99 PolarHBondContact O-N 2.89Å; I5-V99 HydrophobicContact CG1-CB 4.17Å; I6-V99 PolarHBondContact N-O 3.08Å; V99-V105 HydrophobicContact CG1-CB 4.48Å; V99-V105 HydrophobicContact CG1-CG1 3.71Å; V99-Y106 HydrophobicContact CG1-CD1 3.82Å; V99-Y106 HydrophobicContact CG1-CE1 4.13Å; V99-A109 HydrophobicContact CG1-CB 4.28Å; V99-A109 HydrophobicContact CG2-CB 4.01Å
100C94.3Very high93.2Very high24 Ų2434.6 Ų34.616%0.16220%0.199CC..  trans-110.520.7-175.6-57.60000112.5I6 I38 M39 Y106I6-C100 HydrophobicContact CG2-CB 4.43Å; I38-C100 PolarHBondContact O-N 2.65Å; M39-C100 HydrophobicContact CB-CB 4.44Å; M39-C100 HydrophobicContact CE-CB 4.48Å; C100-Y106 VanDerWaalsContact C-OH 3.31Å; C100-Y106 PolarHBondContact O-OH 3.38Å
101G92.1Very high93.2Very high1 Ų138.9 Ų38.91%0.0122%0.223CC..  trans95.1-170.4172.200000115.2M39 G40 Y106M39-G101 CarbonylContact C-O 3.6Å; M39-G101 WeakPolarHBondContact CA-O 3.24Å; G40-G101 PolarHBondContact N-O 3.37Å; G101-Y106 VanDerWaalsContact CA-CE1 3.46Å; G101-Y106 VanDerWaalsContact N-CE1 3.26Å; G101-Y106 VanDerWaalsContact N-CZ 3.27Å; G101-Y106 PolarHBondContact N-OH 3.13Å
102G92.8Very high93.4Very high15 Ų1537.5 Ų37.516%0.15521%0.213CC..  cis-85.1-156.9-3.500000113.4T43 S104 V105 Y106T43-G102 WeakPolarHBondContact OG1-CA 3.19Å; T43-G102 PolarHBondContact OG1-N 2.94Å; G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 3.45Å; G102-S104 VanDerWaalsContact O-N 3.13Å; G102-V105 PolarHBondContact O-N 2.97Å; G102-Y106 VanDerWaalsContact C-CD2 3.49Å; G102-Y106 WeakPolarHBondContact O-CD2 3.42Å; G102-Y106 PolarHBondContact O-N 2.97Å
103S95Very high93.6Very high40 Ų4034.5 Ų34.528%0.2820%0.196SC..Hα-helixtrans-45.9-47.3-171.6-173.50000114.7V105 Y106 K107 F132S103-V105 PolarHBondContact O-N 2.79Å; S103-Y106 PolarHBondContact O-N 3.13Å; S103-K107 WeakPolarHBondContact O-CB 3.36Å; S103-K107 PolarHBondContact O-N 2.72Å; S103-F132 VanDerWaalsContact CB-O 3.22Å; S103-F132 WeakPolarHBondContact CB-O 3.34Å; S103-F132 PolarHBondContact OG-O 2.79Å
104S95.3Very high93.4Very high91 Ų9136 Ų3664%0.63620%0.198SC*.Hα-helixtrans-66-36.6179.961.50000113.2G102 K107 E108G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 3.45Å; G102-S104 VanDerWaalsContact O-N 3.13Å; S104-K107 PolarHBondContact O-N 3.42Å; S104-E108 WeakPolarHBondContact O-CB 3.49Å; S104-E108 PolarHBondContact O-N 2.97Å
105V96.7Very high93.5Very high4 Ų436.3 Ų36.32%0.02420%0.198CC..Hα-helixtrans-73.8-41.1179.2-171.70000110.2L62 V99 G102 S103 K107 E108 A109L62-V105 HydrophobicContact CD1-CB 4.47Å; L62-V105 HydrophobicContact CD1-CG1 3.68Å; L62-V105 HydrophobicContact CD1-CG2 4.01Å; V99-V105 HydrophobicContact CG1-CB 4.48Å; V99-V105 HydrophobicContact CG1-CG1 3.71Å; G102-V105 PolarHBondContact O-N 2.97Å; S103-V105 PolarHBondContact O-N 2.79Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.44Å; V105-E108 PolarHBondContact O-N 3.43Å; V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 2.98Å
106Y96.7Very high93.7Very high15 Ų1534.2 Ų34.26%0.05919%0.19CC..Hα-helixtrans-58.7-46.4171.2-67.3-48.5000111.1I5 I6 V7 I15 V99 C100 G101 G102 S103 E108 A109 L110 F133I5-Y106 HydrophobicContact CG2-CD1 3.57Å; I5-Y106 HydrophobicContact CG2-CE1 3.68Å; I6-Y106 WeakPolarHBondContact O-CE1 3.42Å; I6-Y106 PolarHBondContact O-OH 3.07Å; V7-Y106 HydrophobicContact CB-CE1 4.19Å; V7-Y106 HydrophobicContact CB-CE2 4.26Å; V7-Y106 HydrophobicContact CG2-CE2 3.82Å; I15-Y106 HydrophobicContact CD1-CD2 4.01Å; I15-Y106 HydrophobicContact CD1-CE2 3.88Å; V99-Y106 HydrophobicContact CG1-CD1 3.82Å; V99-Y106 HydrophobicContact CG1-CE1 4.13Å; C100-Y106 VanDerWaalsContact C-OH 3.31Å; C100-Y106 PolarHBondContact O-OH 3.38Å; G101-Y106 VanDerWaalsContact CA-CE1 3.46Å; G101-Y106 VanDerWaalsContact N-CE1 3.26Å; G101-Y106 VanDerWaalsContact N-CZ 3.27Å; G101-Y106 PolarHBondContact N-OH 3.13Å; G102-Y106 VanDerWaalsContact C-CD2 3.49Å; G102-Y106 WeakPolarHBondContact O-CD2 3.42Å; G102-Y106 PolarHBondContact O-N 2.97Å; S103-Y106 PolarHBondContact O-N 3.13Å; Y106-E108 VanDerWaalsContact C-N 3.35Å; Y106-E108 PolarHBondContact O-N 2.8Å; Y106-A109 PolarHBondContact O-N 2.81Å; Y106-L110 WeakPolarHBondContact O-CB 3.22Å; Y106-L110 VanDerWaalsContact O-CG 3.26Å; Y106-L110 WeakPolarHBondContact O-CG 3.33Å; Y106-L110 PolarHBondContact O-N 3.46Å; Y106-F133 HydrophobicContact CD1-CD2 4.42Å; Y106-F133 AromaticContact CD1-CE2 3.8Å; Y106-F133 HydrophobicContact CD1-CE2 3.8Å; Y106-F133 AromaticContact CD2-CD2 3.63Å; Y106-F133 HydrophobicContact CD2-CD2 3.63Å; Y106-F133 AromaticContact CD2-CE2 3.86Å; Y106-F133 HydrophobicContact CD2-CE2 3.86Å; Y106-F133 HydrophobicContact CE1-CE2 4.3Å; Y106-F133 HydrophobicContact CE2-CD2 4.11Å; Y106-F133 HydrophobicContact CE2-CE2 4.36Å; Y106-F133 AromaticContact CG-CD2 3.81Å; Y106-F133 HydrophobicContact CG-CD2 3.81Å; Y106-F133 AromaticContact CG-CE2 3.55Å; Y106-F133 HydrophobicContact CG-CE2 3.55Å
107K96.2Very high93.9Very high99 Ų9936.8 Ų36.843%0.4320%0.198SC..Hα-helixtrans-59-49.4179.8-166.3-164.7-178.4-49.10110.7S103 S104 V105 A109 L110 D111 P134S103-K107 WeakPolarHBondContact O-CB 3.36Å; S103-K107 PolarHBondContact O-N 2.72Å; S104-K107 PolarHBondContact O-N 3.42Å; V105-K107 VanDerWaalsContact C-N 3.33Å; V105-K107 PolarHBondContact O-N 3.44Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 3.48Å; K107-L110 PolarHBondContact O-N 2.92Å; K107-D111 IonicContact NZ-OD1 3.18Å; K107-D111 PolarHBondContact NZ-OD1 3.2Å; K107-D111 IonicContact NZ-OD2 2.66Å; K107-D111 PolarHBondContact NZ-OD2 2.96Å; K107-D111 WeakPolarHBondContact O-CB 3.39Å; K107-D111 PolarHBondContact O-N 3.12Å; K107-P134 HydrophobicContact CB-CB 4.26Å; K107-P134 HydrophobicContact CB-CG 3.66Å; K107-P134 HydrophobicContact CG-CB 4.29Å; K107-P134 HydrophobicContact CG-CG 4.23Å
108E95.2Very high93.9Very high56 Ų5636.8 Ų36.826%0.26220%0.198SC..Hα-helixtrans-60.6-42.5178.9-173.6178.5173.600112L78 S104 V105 Y106 R112L78-E108 HydrophobicContact CB-CG 4.2Å; L78-E108 VanDerWaalsContact CB-OE1 3.27Å; L78-E108 WeakPolarHBondContact CB-OE1 3.36Å; L78-E108 HydrophobicContact CD2-CB 4.43Å; L78-E108 HydrophobicContact CD2-CG 4.06Å; S104-E108 WeakPolarHBondContact O-CB 3.49Å; S104-E108 PolarHBondContact O-N 2.97Å; V105-E108 PolarHBondContact O-N 3.43Å; Y106-E108 VanDerWaalsContact C-N 3.35Å; Y106-E108 PolarHBondContact O-N 2.8Å; E108-R112 WeakPolarHBondContact O-CD 3.48Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.4Å; E108-R112 IonicContact OE1-CZ 3.59Å; E108-R112 IonicContact OE1-NE 3.02Å; E108-R112 PolarHBondContact OE1-NE 2.98Å; E108-R112 IonicContact OE1-NH2 2.87Å; E108-R112 PolarHBondContact OE1-NH2 3.06Å
109A95Very high93.9Very high1 Ų137 Ų371%0.00820%0.199CC..Hα-helixtrans-64.1-43.1176.800000112.1I5 L78 V99 V105 Y106 K107 W115I5-A109 HydrophobicContact CD1-CB 3.94Å; I5-A109 HydrophobicContact CG1-CB 4.35Å; L78-A109 HydrophobicContact CD2-CB 3.93Å; V99-A109 HydrophobicContact CG1-CB 4.28Å; V99-A109 HydrophobicContact CG2-CB 4.01Å; V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 2.98Å; Y106-A109 PolarHBondContact O-N 2.81Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 3.48Å; A109-W115 VanDerWaalsContact O-CD1 3.27Å
110L94.4Very high93.9Very high25 Ų2537 Ų3713%0.13120%0.2CC..Hα-helixtrans-65.6-48.7178.4-71.3178.1000112.2I5 Y106 K107 R112 G113 W115 F133 P134 I136I5-L110 HydrophobicContact CD1-CD2 3.56Å; I5-L110 HydrophobicContact CD1-CG 4.07Å; Y106-L110 WeakPolarHBondContact O-CB 3.22Å; Y106-L110 VanDerWaalsContact O-CG 3.26Å; Y106-L110 WeakPolarHBondContact O-CG 3.33Å; Y106-L110 PolarHBondContact O-N 3.46Å; K107-L110 PolarHBondContact O-N 2.92Å; L110-R112 PolarHBondContact O-N 3.42Å; L110-G113 PolarHBondContact O-N 2.88Å; L110-G113 VanDerWaalsContact O-N 3.07Å; L110-W115 HydrophobicContact CD2-CD2 4.45Å; L110-W115 HydrophobicContact CD2-CZ2 3.92Å; L110-F133 HydrophobicContact CD1-CE1 3.87Å; L110-F133 HydrophobicContact CD1-CZ 3.79Å; L110-P134 HydrophobicContact CD1-CB 4.06Å; L110-P134 HydrophobicContact CD1-CG 4.2Å; L110-I136 HydrophobicContact CD1-CD1 4.28Å; L110-I136 HydrophobicContact CD2-CD1 3.63Å
111D93.4Very high93.9Very high110 Ų11036 Ų3659%0.58819%0.192SC*.Hα-helixtrans-58.8-33.6-179.8-68.9-17000111.9K107 G113K107-D111 IonicContact NZ-OD1 3.18Å; K107-D111 PolarHBondContact NZ-OD1 3.2Å; K107-D111 IonicContact NZ-OD2 2.66Å; K107-D111 PolarHBondContact NZ-OD2 2.96Å; K107-D111 WeakPolarHBondContact O-CB 3.39Å; K107-D111 PolarHBondContact O-N 3.12Å; D111-G113 VanDerWaalsContact C-N 3.35Å
112R90.4Very high94Very high80 Ų8038 Ų3830%0.30220%0.2SC..Hα-helixtrans-72.9-24.5178.7-73.3170.2-176.1-80.35113.6D79 E108 L110 L114D79-R112 IonicContact OD1-CZ 2.99Å; D79-R112 IonicContact OD1-NH1 3.03Å; D79-R112 PolarHBondContact OD1-NH1 2.77Å; D79-R112 IonicContact OD1-NH2 3.67Å; D79-R112 PolarHBondContact OD1-NH2 3.43Å; D79-R112 IonicContact OD2-CZ 3Å; D79-R112 IonicContact OD2-NH1 2.75Å; D79-R112 PolarHBondContact OD2-NH1 3.26Å; D79-R112 IonicContact OD2-NH2 2.75Å; D79-R112 PolarHBondContact OD2-NH2 2.75Å; E108-R112 WeakPolarHBondContact O-CD 3.48Å; E108-R112 WeakPolarHBondContact O-CG 3.43Å; E108-R112 PolarHBondContact O-N 3.4Å; E108-R112 IonicContact OE1-CZ 3.59Å; E108-R112 IonicContact OE1-NE 3.02Å; E108-R112 PolarHBondContact OE1-NE 2.98Å; E108-R112 IonicContact OE1-NH2 2.87Å; E108-R112 PolarHBondContact OE1-NH2 3.06Å; L110-R112 PolarHBondContact O-N 3.42Å; R112-L114 HydrophobicContact CB-CD1 4.49Å; R112-L114 HydrophobicContact CB-CG 4.29Å; R112-L114 PolarHBondContact O-N 2.86Å; R112-L114 VanDerWaalsContact O-N 3.08Å
113G90.7Very high94.1Very high25 Ų2537.7 Ų37.726%0.25819%0.194SC..  trans673.7-178.500000116.1L110 D111 W115 N168L110-G113 PolarHBondContact O-N 2.88Å; L110-G113 VanDerWaalsContact O-N 3.07Å; D111-G113 VanDerWaalsContact C-N 3.35Å; G113-W115 PolarHBondContact O-N 3.39Å; G113-N168 PolarHBondContact O-ND2 2.99Å
114L86.1Confident94Very high75 Ų7540.2 Ų40.239%0.39320%0.202SC..  trans-82.68.3-176-61.7177.6000114.5R112R112-L114 HydrophobicContact CB-CD1 4.49Å; R112-L114 HydrophobicContact CB-CG 4.29Å; R112-L114 PolarHBondContact O-N 2.86Å; R112-L114 VanDerWaalsContact O-N 3.08Å
115W93.9Very high93.7Very high8 Ų839.8 Ų39.83%0.0319%0.19CC..  trans-93144-179.158.6-84000110.4L3 I5 A109 L110 G113 L118 I136 L141 N168 A171L3-W115 CarbonylContact O-C 3.59Å; L3-W115 VanDerWaalsContact O-CA 3.29Å; L3-W115 WeakPolarHBondContact O-CA 3.37Å; I5-W115 HydrophobicContact CD1-CB 3.97Å; I5-W115 HydrophobicContact CD1-CD2 4Å; I5-W115 HydrophobicContact CD1-CG 3.7Å; I5-W115 HydrophobicContact CG1-CB 4.09Å; I5-W115 HydrophobicContact CG1-CG 4.33Å; A109-W115 VanDerWaalsContact O-CD1 3.27Å; L110-W115 HydrophobicContact CD2-CD2 4.45Å; L110-W115 HydrophobicContact CD2-CZ2 3.92Å; G113-W115 PolarHBondContact O-N 3.39Å; W115-L118 HydrophobicContact CE3-CB 4.19Å; W115-L118 HydrophobicContact CH2-CB 4.23Å; W115-L118 HydrophobicContact CZ3-CB 3.65Å; W115-I136 HydrophobicContact CH2-CD1 4.4Å; W115-I136 HydrophobicContact CZ2-CD1 4.07Å; W115-L141 HydrophobicContact CH2-CD1 3.86Å; W115-L141 HydrophobicContact CH2-CD2 3.6Å; W115-L141 HydrophobicContact CH2-CG 4.36Å; W115-L141 HydrophobicContact CZ2-CD2 4.04Å; W115-N168 HydrophobicContact CD2-CB 3.99Å; W115-N168 HydrophobicContact CE3-CB 3.74Å; W115-N168 HydrophobicContact CH2-CB 3.69Å; W115-N168 HydrophobicContact CZ2-CB 3.93Å; W115-N168 HydrophobicContact CZ3-CB 3.59Å; W115-N168 WeakPolarHBondContact O-CB 3.23Å; W115-N168 PolarHBondContact O-ND2 2.85Å; W115-A171 WeakPolarHBondContact O-CB 3.16Å
116N93.8Very high93.4Very high30 Ų3042.9 Ų42.916%0.1622%0.215CC..SBendtrans-88.5-53.5-177.9171.764.3000111.3L2 L3 N4 N168L2-N116 HydrophobicContact CD2-CB 4.22Å; L3-N116 PolarHBondContact O-N 3.27Å; N4-N116 PolarHBondContact OD1-ND2 2.83Å; N116-N168 PolarHBondContact O-N 3.07Å
117R94.6Very high93.1Very high62 Ų6244.2 Ų44.223%0.23422%0.221CC..EExtended strand (participates in β ladder)trans-133.2145.6-179.2-74.3174.8-176.8-177.21.7113.2N4 I5 Y119 D146 V165 Y166 E167N4-R117 CarbonylContact C-O 3.51Å; N4-R117 WeakPolarHBondContact CA-O 3.5Å; N4-R117 PolarHBondContact OD1-N 2.98Å; I5-R117 PolarHBondContact N-O 2.88Å; R117-Y119 HydrophobicContact CB-CD2 4.15Å; R117-Y119 HydrophobicContact CB-CE2 3.58Å; R117-D146 IonicContact NH1-OD2 3.63Å; R117-D146 PolarHBondContact NH1-OD2 3.46Å; R117-V165 HydrophobicContact CB-CG1 4.31Å; R117-V165 HydrophobicContact CG-CG1 4.33Å; R117-Y166 CarbonylContact C-O 3.53Å; R117-Y166 WeakPolarHBondContact CA-O 3.19Å; R117-E167 HydrophobicContact CG-CB 4.48Å; R117-E167 HydrophobicContact CG-CG 4.47Å; R117-E167 IonicContact CZ-OE1 3.4Å; R117-E167 IonicContact NE-OE1 3.41Å; R117-E167 PolarHBondContact NE-OE1 3.03Å; R117-E167 IonicContact NH2-OE1 3.14Å; R117-E167 PolarHBondContact NH2-OE1 3.31Å
118L95Very high92.9Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-109.8113.4170.2170.463.9000108.6I5 V7 W115 F133 I136 F138 L141 V165 Y166I5-L118 HydrophobicContact CB-CD1 3.78Å; I5-L118 HydrophobicContact CG2-CD1 3.56Å; I5-L118 WeakPolarHBondContact O-CA 3.11Å; V7-L118 HydrophobicContact CG1-CD1 4.03Å; W115-L118 HydrophobicContact CE3-CB 4.19Å; W115-L118 HydrophobicContact CH2-CB 4.23Å; W115-L118 HydrophobicContact CZ3-CB 3.65Å; L118-F133 HydrophobicContact CD1-CZ 3.92Å; L118-F133 HydrophobicContact CD2-CE1 4.42Å; L118-F133 HydrophobicContact CD2-CZ 4.35Å; L118-I136 HydrophobicContact CD2-CD1 4.42Å; L118-F138 HydrophobicContact CD2-CE1 3.92Å; L118-L141 HydrophobicContact CD2-CD1 4.41Å; L118-V165 WeakPolarHBondContact O-CA 2.98Å; L118-Y166 PolarHBondContact N-O 3.3Å; L118-Y166 PolarHBondContact O-N 3.32Å
119Y95.1Very high92.7Very high16 Ų1647.8 Ų47.86%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-94.5115.7172.4-66.9-105.3000107.8N4 I5 I6 V7 W98 R117 D146 V149 V165N4-Y119 HydrophobicContact CB-CD2 4.41Å; N4-Y119 HydrophobicContact CB-CE2 4.24Å; I5-Y119 PolarHBondContact O-N 3.31Å; I6-Y119 WeakPolarHBondContact CA-O 3.29Å; V7-Y119 PolarHBondContact N-O 2.98Å; W98-Y119 AromaticContact CH2-CD2 3.98Å; W98-Y119 HydrophobicContact CH2-CD2 3.98Å; W98-Y119 AromaticContact CH2-CE2 3.67Å; W98-Y119 HydrophobicContact CH2-CE2 3.67Å; W98-Y119 AromaticContact CH2-CZ 3.99Å; W98-Y119 AromaticContact CZ3-CD2 3.53Å; W98-Y119 HydrophobicContact CZ3-CD2 3.53Å; W98-Y119 AromaticContact CZ3-CE2 3.69Å; W98-Y119 HydrophobicContact CZ3-CE2 3.69Å; W98-Y119 HydrophobicContact CZ3-CG 4.09Å; R117-Y119 HydrophobicContact CB-CD2 4.15Å; R117-Y119 HydrophobicContact CB-CE2 3.58Å; Y119-D146 PolarHBondContact OH-OD2 2.85Å; Y119-V149 HydrophobicContact CD1-CG2 3.84Å; Y119-V149 HydrophobicContact CE1-CG2 3.68Å; Y119-V165 HydrophobicContact CD1-CG1 4.22Å; Y119-V165 HydrophobicContact CD1-CG2 3.65Å; Y119-V165 HydrophobicContact CE1-CG1 3.95Å; Y119-V165 HydrophobicContact CE1-CG2 3.73Å; Y119-V165 HydrophobicContact CE2-CG1 4.27Å; Y119-V165 HydrophobicContact CG-CG1 4.47Å; Y119-V165 HydrophobicContact CG-CG2 4.4Å
120I94.5Very high92.6Very high1 Ų154.3 Ų54.31%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-121.9123.5-178-173.7156.1000111.5V7 T9 R122 F138 F163 E164 Y166V7-I120 HydrophobicContact CG1-CB 4.19Å; V7-I120 HydrophobicContact CG1-CD1 4.07Å; V7-I120 HydrophobicContact CG1-CG1 3.98Å; V7-I120 CarbonylContact O-C 3.4Å; V7-I120 VanDerWaalsContact O-CA 3.32Å; V7-I120 WeakPolarHBondContact O-CA 3.44Å; T9-I120 HydrophobicContact CG2-CD1 3.85Å; T9-I120 HydrophobicContact CG2-CG1 4.29Å; I120-R122 VanDerWaalsContact CD1-NH1 3.28Å; I120-F138 HydrophobicContact CD1-CE1 4.2Å; I120-F138 HydrophobicContact CD1-CZ 3.92Å; I120-F163 CarbonylContact O-C 3.57Å; I120-F163 WeakPolarHBondContact O-CA 3.34Å; I120-E164 HydrophobicContact CG2-CB 3.68Å; I120-E164 HydrophobicContact CG2-CG 4.38Å; I120-E164 PolarHBondContact N-O 3.43Å; I120-E164 PolarHBondContact O-N 3.24Å; I120-Y166 HydrophobicContact CG2-CD2 3.9Å; I120-Y166 HydrophobicContact CG2-CE2 3.6Å
121T94.9Very high92.5Very high2 Ų255.5 Ų55.51%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-91.8112.3171.4-57.10000108.6V7 A8 T9 I21 D24 I123 Y161 F163V7-T121 PolarHBondContact O-N 3.03Å; A8-T121 CarbonylContact C-O 3.54Å; A8-T121 WeakPolarHBondContact CA-O 3.4Å; A8-T121 HydrophobicContact CB-CG2 4.37Å; T9-T121 PolarHBondContact N-O 3.16Å; I21-T121 HydrophobicContact CG2-CG2 4.26Å; D24-T121 PolarHBondContact OD1-OG1 3.15Å; D24-T121 PolarHBondContact OD2-OG1 3.23Å; T121-I123 HydrophobicContact CG2-CG1 4.46Å; T121-Y161 HydrophobicContact CG2-CD2 3.53Å; T121-Y161 HydrophobicContact CG2-CE2 4.24Å; T121-Y161 HydrophobicContact CG2-CG 4Å; T121-F163 HydrophobicContact CG2-CD1 4.07Å; T121-F163 HydrophobicContact CG2-CE1 3.85Å; T121-F163 WeakPolarHBondContact OG1-CD1 3.34Å; T121-F163 VanDerWaalsContact OG1-CE1 3.24Å; T121-F163 WeakPolarHBondContact OG1-CE1 3.5Å
122R94.5Very high92.6Very high44 Ų4455 Ų5517%0.16627%0.274CS..EExtended strand (participates in β ladder)trans-92.6104.2-179.7-63.6-65.2-169.7-177.22.2109.7I120 Y161 H162 E164I120-R122 VanDerWaalsContact CD1-NH1 3.28Å; R122-Y161 CarbonylContact O-C 3.52Å; R122-Y161 WeakPolarHBondContact O-CA 3.49Å; R122-Y161 VanDerWaalsContact O-CB 3.28Å; R122-Y161 WeakPolarHBondContact O-CB 3.34Å; R122-H162 WeakPolarHBondContact CB-CE1 3.29Å; R122-H162 WeakPolarHBondContact CB-ND1 3.38Å; R122-H162 PolarHBondContact N-O 2.97Å; R122-H162 PolarHBondContact O-N 3.23Å; R122-H162 VanDerWaalsContact O-N 3.08Å; R122-E164 HydrophobicContact CG-CG 4.12Å; R122-E164 IonicContact CZ-OE2 2.58Å; R122-E164 IonicContact NE-OE2 2.71Å; R122-E164 PolarHBondContact NE-OE2 3.12Å; R122-E164 IonicContact NH2-OE2 2.7Å; R122-E164 PolarHBondContact NH2-OE2 3.28Å; R122-E164 VanDerWaalsContact NH2-OE2 3.14Å
123I94Very high92.8Very high7 Ų751.5 Ų51.54%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-85.1122178.6-63.1167.2000109.8A8 T9 L17 I21 T121 Q125 F127 V159A8-I123 HydrophobicContact CB-CD1 4.17Å; T9-I123 PolarHBondContact O-N 3.17Å; L17-I123 HydrophobicContact CD1-CD1 3.33Å; L17-I123 HydrophobicContact CD2-CD1 3.92Å; L17-I123 HydrophobicContact CG-CD1 4.24Å; I21-I123 HydrophobicContact CD1-CD1 4.19Å; I21-I123 HydrophobicContact CG1-CD1 3.95Å; I21-I123 HydrophobicContact CG1-CG1 4.47Å; T121-I123 HydrophobicContact CG2-CG1 4.46Å; I123-Q125 HydrophobicContact CG2-CB 4.09Å; I123-Q125 PolarHBondContact O-N 3.29Å; I123-F127 HydrophobicContact CG2-CD2 4.46Å; I123-F127 HydrophobicContact CG2-CE2 3.79Å; I123-V159 HydrophobicContact CG2-CG1 3.35Å
124H93.2Very high93Very high94 Ų9451.2 Ų51.244%0.43526%0.255SS..SBendtrans-87.246.3-178.5-61.5-70.7000111.9T160 H162H124-T160 PolarHBondContact N-O 2.99Å; H124-H162 AromaticContact CD2-ND1 3.9Å; H124-H162 AromaticContact CE1-CE1 3.5Å; H124-H162 AromaticContact CE1-ND1 3.34Å; H124-H162 PolarHBondContact CE1-ND1 3.17Å; H124-H162 VanDerWaalsContact CE1-ND1 3.34Å; H124-H162 AromaticContact NE2-CE1 3.52Å; H124-H162 AromaticContact NE2-CG 3.91Å; H124-H162 AromaticContact NE2-ND1 2.86Å; H124-H162 PolarHBondContact NE2-ND1 3.44Å
125Q90.4Very high93.2Very high82 Ų8253.3 Ų53.338%0.38328%0.276SS..SBendtrans-148.8133.8176.3-177.9170.3-3.400109.1C10 I123 F127 V159C10-Q125 WeakPolarHBondContact CB-O 3.39Å; I123-Q125 HydrophobicContact CG2-CB 4.09Å; I123-Q125 PolarHBondContact O-N 3.29Å; Q125-F127 HydrophobicContact CB-CE2 3.83Å; Q125-F127 HydrophobicContact CB-CZ 4.16Å; Q125-F127 HydrophobicContact CG-CE1 4.37Å; Q125-F127 HydrophobicContact CG-CE2 3.89Å; Q125-F127 HydrophobicContact CG-CZ 3.81Å; Q125-F127 WeakPolarHBondContact O-CD2 3.34Å; Q125-V159 HydrophobicContact CB-CG1 4.25Å
126A89.2Confident93.1Very high68 Ų6854.8 Ų54.856%0.56228%0.284SS*.  trans-74.1130.3174.800000110.4
127F90.9Very high93Very high43 Ų4357.5 Ų57.519%0.18930%0.299CS..  trans-123.3149171.3-67.9-76.3000109.8C10 L17 P18 I19 I123 Q125 C129 V159C10-F127 HydrophobicContact CB-CB 4.46Å; C10-F127 HydrophobicContact CB-CD2 3.85Å; L17-F127 HydrophobicContact CD2-CD2 3.89Å; L17-F127 HydrophobicContact CD2-CG 4.45Å; P18-F127 HydrophobicContact CG-CD1 3.38Å; P18-F127 HydrophobicContact CG-CE1 3.55Å; P18-F127 HydrophobicContact CG-CG 4.15Å; P18-F127 HydrophobicContact CG-CZ 4.44Å; I19-F127 HydrophobicContact CD1-CZ 4.22Å; I123-F127 HydrophobicContact CG2-CD2 4.46Å; I123-F127 HydrophobicContact CG2-CE2 3.79Å; Q125-F127 HydrophobicContact CB-CE2 3.83Å; Q125-F127 HydrophobicContact CB-CZ 4.16Å; Q125-F127 HydrophobicContact CG-CE1 4.37Å; Q125-F127 HydrophobicContact CG-CE2 3.89Å; Q125-F127 HydrophobicContact CG-CZ 3.81Å; Q125-F127 WeakPolarHBondContact O-CD2 3.34Å; F127-C129 PolarHBondContact O-N 3.13Å; F127-V159 HydrophobicContact CZ-CG2 4.28Å
128K91.3Very high92.8Very high211 Ų21156.6 Ų56.692%0.91730%0.296SS*.  trans-75.2104.7169.8-175179.1179.8-179.70108.4
129C91Very high92.7Very high20 Ų2060 Ų6014%0.13533%0.331CS..  trans-110.1145.4176.9-640000111.2C10 G16 F127 F132C10-C129 VanDerWaalsContact SG-SG 3.64Å; G16-C129 PolarHBondContact O-SG 2.88Å; G16-C129 VanDerWaalsContact O-SG 3.34Å; F127-C129 PolarHBondContact O-N 3.13Å; C129-F132 HydrophobicContact CB-CE1 4.32Å; C129-F132 HydrophobicContact CB-CZ 4.36Å; C129-F132 WeakPolarHBondContact O-CZ 3.33Å
130D92.9Very high92.4Very high138 Ų13865.6 Ų65.674%0.73836%0.358SS*.SBendtrans-104.1-10.8170.462.83000112.7
131T92.1Very high92.4Very high50 Ų5066.5 Ų66.531%0.30736%0.363SS..  trans-128.5131.1-175-52.40000108.8I15 G16I15-T131 HydrophobicContact CD1-CG2 3.86Å; I15-T131 HydrophobicContact CG1-CG2 3.78Å; I15-T131 WeakPolarHBondContact CG1-O 3.29Å; I15-T131 PolarHBondContact N-O 2.94Å; G16-T131 PolarHBondContact N-O 3.38Å
132F95.3Very high92.4Very high98 Ų9871.8 Ų71.843%0.4339%0.385SS..BIsolated β-bridgetrans-124.4150.4-172.2-59.8-90.5000111.4G12 L13 S103 C129G12-F132 WeakPolarHBondContact O-CD1 3.43Å; L13-F132 CarbonylContact O-C 3.54Å; L13-F132 WeakPolarHBondContact O-CA 3.17Å; S103-F132 VanDerWaalsContact CB-O 3.22Å; S103-F132 WeakPolarHBondContact CB-O 3.34Å; S103-F132 PolarHBondContact OG-O 2.79Å; C129-F132 HydrophobicContact CB-CE1 4.32Å; C129-F132 HydrophobicContact CB-CZ 4.36Å; C129-F132 WeakPolarHBondContact O-CZ 3.33Å
133F96.4Very high92.4Very high7 Ų775.4 Ų75.43%0.03140%0.403CS..PPolyproline II helixtrans-66.7140.9167.1-167.9-105.3000109.1I5 V7 T9 L13 I15 Y106 L110 L118 I136I5-F133 HydrophobicContact CG2-CE2 4.36Å; V7-F133 HydrophobicContact CB-CD2 4.1Å; V7-F133 HydrophobicContact CB-CE2 4.03Å; V7-F133 HydrophobicContact CG1-CD2 3.96Å; V7-F133 HydrophobicContact CG1-CE2 3.72Å; V7-F133 HydrophobicContact CG1-CZ 4.16Å; V7-F133 HydrophobicContact CG2-CD2 3.7Å; V7-F133 HydrophobicContact CG2-CE2 4.15Å; V7-F133 HydrophobicContact CG2-CG 4.43Å; T9-F133 HydrophobicContact CG2-CB 4.08Å; L13-F133 HydrophobicContact CB-CB 4.19Å; L13-F133 PolarHBondContact O-N 3.45Å; I15-F133 HydrophobicContact CG2-CB 3.8Å; Y106-F133 HydrophobicContact CD1-CD2 4.42Å; Y106-F133 AromaticContact CD1-CE2 3.8Å; Y106-F133 HydrophobicContact CD1-CE2 3.8Å; Y106-F133 AromaticContact CD2-CD2 3.63Å; Y106-F133 HydrophobicContact CD2-CD2 3.63Å; Y106-F133 AromaticContact CD2-CE2 3.86Å; Y106-F133 HydrophobicContact CD2-CE2 3.86Å; Y106-F133 HydrophobicContact CE1-CE2 4.3Å; Y106-F133 HydrophobicContact CE2-CD2 4.11Å; Y106-F133 HydrophobicContact CE2-CE2 4.36Å; Y106-F133 AromaticContact CG-CD2 3.81Å; Y106-F133 HydrophobicContact CG-CD2 3.81Å; Y106-F133 AromaticContact CG-CE2 3.55Å; Y106-F133 HydrophobicContact CG-CE2 3.55Å; L110-F133 HydrophobicContact CD1-CE1 3.87Å; L110-F133 HydrophobicContact CD1-CZ 3.79Å; L118-F133 HydrophobicContact CD1-CZ 3.92Å; L118-F133 HydrophobicContact CD2-CE1 4.42Å; L118-F133 HydrophobicContact CD2-CZ 4.35Å; F133-I136 HydrophobicContact CE1-CG2 4.09Å
134P94.8Very high92.5Very high20 Ų2076.5 Ų76.513%0.1341%0.41CS..PPolyproline II helixtrans-58.2150.3178.6-20.531.2000112K107 L110 I136K107-P134 HydrophobicContact CB-CB 4.26Å; K107-P134 HydrophobicContact CB-CG 3.66Å; K107-P134 HydrophobicContact CG-CB 4.29Å; K107-P134 HydrophobicContact CG-CG 4.23Å; L110-P134 HydrophobicContact CD1-CB 4.06Å; L110-P134 HydrophobicContact CD1-CG 4.2Å; P134-I136 PolarHBondContact O-N 3.35Å
135S90.7Very high92.4Very high119 Ų11977.8 Ų77.883%0.83243%0.429SS*.PPolyproline II helixtrans-62.6129.1173.855.70000110.5
136I91Very high92.3Very high39 Ų3975.2 Ų75.220%0.242%0.418CS..  trans-137.6140.5175-172.3166.1000109.2L110 W115 L118 F133 P134 F138 L141L110-I136 HydrophobicContact CD1-CD1 4.28Å; L110-I136 HydrophobicContact CD2-CD1 3.63Å; W115-I136 HydrophobicContact CH2-CD1 4.4Å; W115-I136 HydrophobicContact CZ2-CD1 4.07Å; L118-I136 HydrophobicContact CD2-CD1 4.42Å; F133-I136 HydrophobicContact CE1-CG2 4.09Å; P134-I136 PolarHBondContact O-N 3.35Å; I136-F138 HydrophobicContact CG2-CD1 4.28Å; I136-F138 HydrophobicContact CG2-CD2 3.91Å; I136-F138 HydrophobicContact CG2-CE1 3.88Å; I136-F138 HydrophobicContact CG2-CE2 3.47Å; I136-F138 VanDerWaalsContact CG2-CE2 3.47Å; I136-F138 HydrophobicContact CG2-CG 4.29Å; I136-F138 HydrophobicContact CG2-CZ 3.44Å; I136-F138 VanDerWaalsContact CG2-CZ 3.44Å; I136-F138 PolarHBondContact O-N 3.04Å; I136-F138 VanDerWaalsContact O-N 3.15Å; I136-L141 HydrophobicContact CD1-CD1 3.74Å; I136-L141 HydrophobicContact CG1-CD1 4.25Å
137D90.8Very high92.2Very high87 Ų8777.4 Ų77.447%0.46544%0.436SS..  trans-81.191173.3-173.8-3.2000109.5G139 Q140D137-G139 PolarHBondContact O-N 2.9Å; D137-G139 VanDerWaalsContact O-N 3.1Å; D137-G139 WeakPolarHBondContact OD1-CA 3.31Å; D137-G139 PolarHBondContact OD1-N 3.41Å; D137-Q140 HydrophobicContact CB-CG 4.23Å; D137-Q140 PolarHBondContact O-N 2.76Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.38Å; D137-Q140 PolarHBondContact OD2-NE2 3.02Å
138F91.5Very high91.9Very high42 Ų4278.4 Ų78.418%0.18445%0.448CS..G310 helixtrans-58.7-20.2176.1-68.3-82000112.8L13 L118 I120 I136 Q140 L141 Y166L13-F138 HydrophobicContact CD2-CE2 4.36Å; L118-F138 HydrophobicContact CD2-CE1 3.92Å; I120-F138 HydrophobicContact CD1-CE1 4.2Å; I120-F138 HydrophobicContact CD1-CZ 3.92Å; I136-F138 HydrophobicContact CG2-CD1 4.28Å; I136-F138 HydrophobicContact CG2-CD2 3.91Å; I136-F138 HydrophobicContact CG2-CE1 3.88Å; I136-F138 HydrophobicContact CG2-CE2 3.47Å; I136-F138 VanDerWaalsContact CG2-CE2 3.47Å; I136-F138 HydrophobicContact CG2-CG 4.29Å; I136-F138 HydrophobicContact CG2-CZ 3.44Å; I136-F138 VanDerWaalsContact CG2-CZ 3.44Å; I136-F138 PolarHBondContact O-N 3.04Å; I136-F138 VanDerWaalsContact O-N 3.15Å; F138-Q140 VanDerWaalsContact C-N 3.27Å; F138-Q140 PolarHBondContact O-N 3Å; F138-L141 HydrophobicContact CD1-CD1 4.24Å; F138-L141 PolarHBondContact O-N 2.82Å; F138-Y166 HydrophobicContact CB-CE1 4.29Å; F138-Y166 HydrophobicContact CD1-CD1 4.31Å; F138-Y166 HydrophobicContact CD1-CD2 4.09Å; F138-Y166 AromaticContact CD1-CE1 3.95Å; F138-Y166 HydrophobicContact CD1-CE1 3.95Å; F138-Y166 AromaticContact CD1-CE2 3.72Å; F138-Y166 HydrophobicContact CD1-CE2 3.72Å; F138-Y166 HydrophobicContact CD1-CG 4.36Å; F138-Y166 AromaticContact CD1-CZ 3.63Å; F138-Y166 HydrophobicContact CE1-CD2 4.25Å; F138-Y166 AromaticContact CE1-CE2 3.96Å; F138-Y166 HydrophobicContact CE1-CE2 3.96Å
139G91.5Very high91.7Very high71 Ų7169.3 Ų69.373%0.73241%0.41SS*.G310 helixtrans-70.9-20.8176.600000113.8D137 L141D137-G139 PolarHBondContact O-N 2.9Å; D137-G139 VanDerWaalsContact O-N 3.1Å; D137-G139 WeakPolarHBondContact OD1-CA 3.31Å; D137-G139 PolarHBondContact OD1-N 3.41Å; G139-L141 VanDerWaalsContact C-N 3.35Å
140Q90.3Very high91.6Very high134 Ų13470.2 Ų70.263%0.62642%0.416SS*.G310 helixtrans-86.6-9.9173.8-67.7178.830.100113D137 F138 N169D137-Q140 HydrophobicContact CB-CG 4.23Å; D137-Q140 PolarHBondContact O-N 2.76Å; D137-Q140 WeakPolarHBondContact OD2-CG 3.38Å; D137-Q140 PolarHBondContact OD2-NE2 3.02Å; F138-Q140 VanDerWaalsContact C-N 3.27Å; F138-Q140 PolarHBondContact O-N 3Å; Q140-N169 PolarHBondContact O-ND2 3.22Å
141L93.7Very high91.4Very high21 Ų2169.3 Ų69.311%0.1142%0.42CS..SBendtrans-96.6146-179.4-54.4-177.2000110.8W115 L118 I136 F138 G139 K143 Y166W115-L141 HydrophobicContact CH2-CD1 3.86Å; W115-L141 HydrophobicContact CH2-CD2 3.6Å; W115-L141 HydrophobicContact CH2-CG 4.36Å; W115-L141 HydrophobicContact CZ2-CD2 4.04Å; L118-L141 HydrophobicContact CD2-CD1 4.41Å; I136-L141 HydrophobicContact CD1-CD1 3.74Å; I136-L141 HydrophobicContact CG1-CD1 4.25Å; F138-L141 HydrophobicContact CD1-CD1 4.24Å; F138-L141 PolarHBondContact O-N 2.82Å; G139-L141 VanDerWaalsContact C-N 3.35Å; L141-K143 PolarHBondContact O-N 3.34Å; L141-Y166 HydrophobicContact CB-CD1 3.78Å; L141-Y166 HydrophobicContact CB-CG 4.28Å; L141-Y166 HydrophobicContact CD1-CD1 4.31Å; L141-Y166 HydrophobicContact CD1-CG 4.18Å
142K94.6Very high91.4Very high112 Ų11272 Ų7249%0.48743%0.429SS..EExtended strand (participates in β ladder)trans-86110.8174-176.9-174.4174.2-166.80109.2V144 Y166 E167K142-V144 HydrophobicContact CD-CG1 4.02Å; K142-V144 HydrophobicContact CG-CG1 3.91Å; K142-V144 PolarHBondContact O-N 2.94Å; K142-Y166 CarbonylContact O-C 3.57Å; K142-Y166 WeakPolarHBondContact O-CA 3.45Å; K142-E167 HydrophobicContact CB-CB 4.42Å; K142-E167 PolarHBondContact N-O 3.17Å; K142-E167 IonicContact NZ-OE2 3.74Å; K142-E167 PolarHBondContact O-N 2.87Å
143K95.5Very high91.4Very high121 Ų12173 Ų7353%0.52644%0.437SS..EExtended strand (participates in β ladder)trans-68126.1169.4-171.1171.2178171.80109.2L141 E164 V165 Y166L141-K143 PolarHBondContact O-N 3.34Å; K143-E164 IonicContact NZ-OE1 2.67Å; K143-E164 PolarHBondContact NZ-OE1 2.67Å; K143-V165 WeakPolarHBondContact CA-O 3.45Å; K143-Y166 HydrophobicContact CB-CD1 4.02Å; K143-Y166 HydrophobicContact CB-CE1 3.86Å; K143-Y166 HydrophobicContact CD-CE1 4.37Å; K143-Y166 HydrophobicContact CG-CE1 4.19Å
144V94.6Very high91.2Very high30 Ų3074.8 Ų74.818%0.18245%0.445CS..EExtended strand (participates in β ladder)trans-126.2156.6-176.4-640000110.9K142 V165 E167K142-V144 HydrophobicContact CD-CG1 4.02Å; K142-V144 HydrophobicContact CG-CG1 3.91Å; K142-V144 PolarHBondContact O-N 2.94Å; V144-V165 HydrophobicContact CG2-CB 4Å; V144-V165 HydrophobicContact CG2-CG1 3.74Å; V144-V165 PolarHBondContact N-O 3.5Å; V144-E167 HydrophobicContact CG1-CB 4.03Å; V144-E167 HydrophobicContact CG2-CB 4.34Å
145S91.8Very high91Very high121 Ų12180.7 Ų80.785%0.84647%0.472SS*.  trans-90.2135166.656.30000110
146D89.2Confident90.8Very high27 Ų2777 Ų7714%0.14444%0.441CS..  trans-118.3126.4172.7-168.8-50.3000108.6R117 Y119 S148 V149 V165R117-D146 IonicContact NH1-OD2 3.63Å; R117-D146 PolarHBondContact NH1-OD2 3.46Å; Y119-D146 PolarHBondContact OH-OD2 2.85Å; D146-S148 PolarHBondContact O-N 3.37Å; D146-S148 VanDerWaalsContact O-N 3.13Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.48Å; D146-S148 PolarHBondContact OD1-OG 3.44Å; D146-V149 HydrophobicContact CB-CB 4.22Å; D146-V149 HydrophobicContact CB-CG2 3.96Å; D146-V149 PolarHBondContact O-N 3.38Å; D146-V165 HydrophobicContact CB-CG2 4.01Å
147A87.2Confident90.6Very high115 Ų11583.7 Ų83.795%0.9546%0.464SS*.THydrogen-bonded Turntrans-64-18.5-176.200000113.4V149A147-V149 VanDerWaalsContact C-N 3.31Å
148S83.3Confident90.4Very high63 Ų6382.3 Ų82.344%0.44147%0.47SS..THydrogen-bonded Turntrans-82.4-9.4174.9680000113.5F27 D146F27-S148 VanDerWaalsContact CE1-O 3.23Å; F27-S148 WeakPolarHBondContact CE1-O 3.48Å; D146-S148 PolarHBondContact O-N 3.37Å; D146-S148 VanDerWaalsContact O-N 3.13Å; D146-S148 WeakPolarHBondContact OD1-CB 3.4Å; D146-S148 PolarHBondContact OD1-N 3.48Å; D146-S148 PolarHBondContact OD1-OG 3.44Å
149V88.1Confident90.3Very high20 Ų2080.6 Ų80.612%0.12146%0.463CS..SBendtrans-112.9122.5-173.2179.40000109.9F27 Y119 D146 A147 S151 F163 V165F27-V149 HydrophobicContact CD1-CG2 4.23Å; F27-V149 HydrophobicContact CE1-CB 4.41Å; F27-V149 HydrophobicContact CE1-CG2 4.03Å; F27-V149 HydrophobicContact CZ-CB 4.45Å; F27-V149 HydrophobicContact CZ-CG1 4.15Å; F27-V149 HydrophobicContact CZ-CG2 4.21Å; Y119-V149 HydrophobicContact CD1-CG2 3.84Å; Y119-V149 HydrophobicContact CE1-CG2 3.68Å; D146-V149 HydrophobicContact CB-CB 4.22Å; D146-V149 HydrophobicContact CB-CG2 3.96Å; D146-V149 PolarHBondContact O-N 3.38Å; A147-V149 VanDerWaalsContact C-N 3.31Å; V149-S151 PolarHBondContact O-N 2.97Å; V149-F163 HydrophobicContact CG1-CB 3.24Å; V149-F163 HydrophobicContact CG1-CD2 3.93Å; V149-F163 HydrophobicContact CG1-CG 3.75Å; V149-V165 HydrophobicContact CB-CG2 4.27Å; V149-V165 HydrophobicContact CG1-CG2 4.24Å; V149-V165 HydrophobicContact CG2-CG2 3.9Å
150P89.4Confident90.4Very high40 Ų4079.5 Ų79.526%0.2644%0.442SS..  trans-56.1134.4174.4-25.935.1000112.4E152 Q154 F163P150-E152 WeakPolarHBondContact CB-OE1 3.43Å; P150-Q154 VanDerWaalsContact CB-NE2 3.34Å; P150-F163 HydrophobicContact CB-CD2 4.15Å; P150-F163 HydrophobicContact CB-CE2 4.21Å; P150-F163 HydrophobicContact CG-CD2 4.25Å; P150-F163 HydrophobicContact CG-CE2 3.99Å
151S88.6Confident90.6Very high118 Ų11873.6 Ų73.683%0.82541%0.414SS*.  trans-86.9-20.6179.364.50000112.9V149V149-S151 PolarHBondContact O-N 2.97Å
152E91.8Very high90.6Very high106 Ų10674.6 Ų74.650%0.49542%0.418SS..SBendtrans-88.6159.6-175.572-71171.600112.6P150 Q154P150-E152 WeakPolarHBondContact CB-OE1 3.43Å; E152-Q154 VanDerWaalsContact CD-NE2 3.34Å; E152-Q154 PolarHBondContact O-N 3.48Å; E152-Q154 PolarHBondContact O-NE2 2.9Å; E152-Q154 PolarHBondContact OE1-NE2 3.1Å
153M93.7Very high90.6Very high120 Ų12070.2 Ų70.259%0.59140%0.399SS*.  trans-65133.3175.1-166.9165.5-6800110.2
154Q93.1Very high90.6Very high44 Ų4465.5 Ų65.521%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-104.4158.5178.3-53.5-61.2-55.100109.8P150 E152 T160 Y161 F163P150-Q154 VanDerWaalsContact CB-NE2 3.34Å; E152-Q154 VanDerWaalsContact CD-NE2 3.34Å; E152-Q154 PolarHBondContact O-N 3.48Å; E152-Q154 PolarHBondContact O-NE2 2.9Å; E152-Q154 PolarHBondContact OE1-NE2 3.1Å; Q154-T160 WeakPolarHBondContact O-CA 3.41Å; Q154-Y161 HydrophobicContact CB-CD1 4.39Å; Q154-Y161 HydrophobicContact CB-CD2 3.73Å; Q154-Y161 HydrophobicContact CB-CE1 4.06Å; Q154-Y161 HydrophobicContact CB-CE2 3.33Å; Q154-Y161 HydrophobicContact CB-CG 4.25Å; Q154-Y161 HydrophobicContact CG-CD2 4.19Å; Q154-Y161 HydrophobicContact CG-CE2 3.75Å; Q154-Y161 PolarHBondContact N-O 2.88Å; Q154-Y161 PolarHBondContact O-N 3.36Å; Q154-F163 HydrophobicContact CG-CD2 4.3Å; Q154-F163 HydrophobicContact CG-CE2 3.61Å; Q154-F163 HydrophobicContact CG-CZ 4.25Å
155Q90.8Very high90.6Very high145 Ų14564.2 Ų64.268%0.67837%0.371SS*.EExtended strand (participates in β ladder)trans-139.1126173.5-171.9178.6-6.500109.9V159 T160Q155-V159 WeakPolarHBondContact CA-O 3.47Å; Q155-T160 HydrophobicContact CB-CG2 4.41Å; Q155-T160 HydrophobicContact CG-CG2 4.2Å
156E87.2Confident90.8Very high41 Ų4159.3 Ų59.319%0.19233%0.334CS..EExtended strand (participates in β ladder)trans-134.5128.8173.2-157.8-161.314000109.4W22 G158 V159 Y161W22-E156 VanDerWaalsContact CD1-OE1 3.28Å; W22-E156 PolarHBondContact N-OE2 2.82Å; E156-G158 PolarHBondContact O-N 3.4Å; E156-G158 VanDerWaalsContact O-N 3.1Å; E156-V159 PolarHBondContact N-O 3.22Å; E156-V159 WeakPolarHBondContact O-CB 3.42Å; E156-V159 PolarHBondContact O-N 3.21Å; E156-Y161 HydrophobicContact CB-CE1 3.76Å
157R85.6Confident91Very high180 Ų18059.4 Ų59.468%0.67933%0.334SS*.THydrogen-bonded Turntrans51.736.4176.6-58.8168.2-165.6-144.8-5.2114.2V159R157-V159 VanDerWaalsContact C-N 3.29Å; R157-V159 PolarHBondContact O-N 2.73Å
158G87.3Confident91.2Very high57 Ų5754.5 Ų54.559%0.58829%0.291SS*.THydrogen-bonded Turntrans83.1-0.6-179.700000114.9E156E156-G158 PolarHBondContact O-N 3.4Å; E156-G158 VanDerWaalsContact O-N 3.1Å
159V89.5Confident90.9Very high7 Ų755.2 Ų55.24%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-101.3126.1178.1-174.50000109.6I19 I123 Q125 F127 Q155 E156 R157I19-V159 HydrophobicContact CD1-CB 3.99Å; I19-V159 HydrophobicContact CD1-CG1 4.01Å; I19-V159 HydrophobicContact CD1-CG2 3.61Å; I123-V159 HydrophobicContact CG2-CG1 3.35Å; Q125-V159 HydrophobicContact CB-CG1 4.25Å; F127-V159 HydrophobicContact CZ-CG2 4.28Å; Q155-V159 WeakPolarHBondContact CA-O 3.47Å; E156-V159 PolarHBondContact N-O 3.22Å; E156-V159 WeakPolarHBondContact O-CB 3.42Å; E156-V159 PolarHBondContact O-N 3.21Å; R157-V159 VanDerWaalsContact C-N 3.29Å; R157-V159 PolarHBondContact O-N 2.73Å
160T93.6Very high89.9Confident47 Ų4758.2 Ų58.229%0.28831%0.312SS..EExtended strand (participates in β ladder)trans-91.5139.6174.249.70000110.5H124 Q154 Q155H124-T160 PolarHBondContact N-O 2.99Å; Q154-T160 WeakPolarHBondContact O-CA 3.41Å; Q155-T160 HydrophobicContact CB-CG2 4.41Å; Q155-T160 HydrophobicContact CG-CG2 4.2Å
161Y94.2Very high88.2Confident10 Ų1058.4 Ų58.44%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-151.9166.1178.158.8-89.8000111I21 A23 T121 R122 Q154 E156 F163I21-Y161 HydrophobicContact CD1-CD1 4.19Å; I21-Y161 HydrophobicContact CD1-CE1 4.12Å; I21-Y161 HydrophobicContact CG2-CD2 4.48Å; I21-Y161 HydrophobicContact CG2-CE1 4.27Å; I21-Y161 HydrophobicContact CG2-CE2 3.9Å; A23-Y161 HydrophobicContact CB-CE2 4.46Å; T121-Y161 HydrophobicContact CG2-CD2 3.53Å; T121-Y161 HydrophobicContact CG2-CE2 4.24Å; T121-Y161 HydrophobicContact CG2-CG 4Å; R122-Y161 CarbonylContact O-C 3.52Å; R122-Y161 WeakPolarHBondContact O-CA 3.49Å; R122-Y161 VanDerWaalsContact O-CB 3.28Å; R122-Y161 WeakPolarHBondContact O-CB 3.34Å; Q154-Y161 HydrophobicContact CB-CD1 4.39Å; Q154-Y161 HydrophobicContact CB-CD2 3.73Å; Q154-Y161 HydrophobicContact CB-CE1 4.06Å; Q154-Y161 HydrophobicContact CB-CE2 3.33Å; Q154-Y161 HydrophobicContact CB-CG 4.25Å; Q154-Y161 HydrophobicContact CG-CD2 4.19Å; Q154-Y161 HydrophobicContact CG-CE2 3.75Å; Q154-Y161 PolarHBondContact N-O 2.88Å; Q154-Y161 PolarHBondContact O-N 3.36Å; E156-Y161 HydrophobicContact CB-CE1 3.76Å; Y161-F163 HydrophobicContact CD2-CE1 4.16Å; Y161-F163 HydrophobicContact CD2-CZ 4.08Å; Y161-F163 AromaticContact CE2-CE1 3.94Å; Y161-F163 HydrophobicContact CE2-CE1 3.94Å; Y161-F163 HydrophobicContact CE2-CE2 4.19Å; Y161-F163 AromaticContact CE2-CZ 3.52Å; Y161-F163 HydrophobicContact CE2-CZ 3.52Å
162H94.2Very high86.1Confident43 Ų4359.2 Ų59.220%0.19931%0.311CS..EExtended strand (participates in β ladder)trans-141.4164169.771.1-72000110R122 H124 E164R122-H162 WeakPolarHBondContact CB-CE1 3.29Å; R122-H162 WeakPolarHBondContact CB-ND1 3.38Å; R122-H162 PolarHBondContact N-O 2.97Å; R122-H162 PolarHBondContact O-N 3.23Å; R122-H162 VanDerWaalsContact O-N 3.08Å; H124-H162 AromaticContact CD2-ND1 3.9Å; H124-H162 AromaticContact CE1-CE1 3.5Å; H124-H162 AromaticContact CE1-ND1 3.34Å; H124-H162 PolarHBondContact CE1-ND1 3.17Å; H124-H162 VanDerWaalsContact CE1-ND1 3.34Å; H124-H162 AromaticContact NE2-CE1 3.52Å; H124-H162 AromaticContact NE2-CG 3.91Å; H124-H162 AromaticContact NE2-ND1 2.86Å; H124-H162 PolarHBondContact NE2-ND1 3.44Å; H162-E164 IonicContact NE2-OE1 3.6Å
163F94.1Very high83.7Confident19 Ų1961.8 Ų61.88%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-102.4144.9178.2-53.6-69000111A23 F27 I120 T121 V149 P150 Q154 Y161A23-F163 HydrophobicContact CB-CE1 4.19Å; A23-F163 HydrophobicContact CB-CZ 3.55Å; F27-F163 AromaticContact CE2-CD1 3.7Å; F27-F163 HydrophobicContact CE2-CD1 3.7Å; F27-F163 HydrophobicContact CE2-CD2 4.42Å; F27-F163 AromaticContact CE2-CE1 3.54Å; F27-F163 HydrophobicContact CE2-CE1 3.54Å; F27-F163 HydrophobicContact CE2-CE2 4.26Å; F27-F163 HydrophobicContact CE2-CG 4.14Å; F27-F163 AromaticContact CE2-CZ 3.82Å; F27-F163 HydrophobicContact CE2-CZ 3.82Å; F27-F163 HydrophobicContact CZ-CD1 4.15Å; F27-F163 HydrophobicContact CZ-CD2 4.03Å; F27-F163 AromaticContact CZ-CE1 3.96Å; F27-F163 HydrophobicContact CZ-CE1 3.96Å; F27-F163 AromaticContact CZ-CE2 3.81Å; F27-F163 HydrophobicContact CZ-CE2 3.81Å; F27-F163 HydrophobicContact CZ-CG 4.17Å; F27-F163 AromaticContact CZ-CZ 3.77Å; F27-F163 HydrophobicContact CZ-CZ 3.77Å; I120-F163 CarbonylContact O-C 3.57Å; I120-F163 WeakPolarHBondContact O-CA 3.34Å; T121-F163 HydrophobicContact CG2-CD1 4.07Å; T121-F163 HydrophobicContact CG2-CE1 3.85Å; T121-F163 WeakPolarHBondContact OG1-CD1 3.34Å; T121-F163 VanDerWaalsContact OG1-CE1 3.24Å; T121-F163 WeakPolarHBondContact OG1-CE1 3.5Å; V149-F163 HydrophobicContact CG1-CB 3.24Å; V149-F163 HydrophobicContact CG1-CD2 3.93Å; V149-F163 HydrophobicContact CG1-CG 3.75Å; P150-F163 HydrophobicContact CB-CD2 4.15Å; P150-F163 HydrophobicContact CB-CE2 4.21Å; P150-F163 HydrophobicContact CG-CD2 4.25Å; P150-F163 HydrophobicContact CG-CE2 3.99Å; Q154-F163 HydrophobicContact CG-CD2 4.3Å; Q154-F163 HydrophobicContact CG-CE2 3.61Å; Q154-F163 HydrophobicContact CG-CZ 4.25Å; Y161-F163 HydrophobicContact CD2-CE1 4.16Å; Y161-F163 HydrophobicContact CD2-CZ 4.08Å; Y161-F163 AromaticContact CE2-CE1 3.94Å; Y161-F163 HydrophobicContact CE2-CE1 3.94Å; Y161-F163 HydrophobicContact CE2-CE2 4.19Å; Y161-F163 AromaticContact CE2-CZ 3.52Å; Y161-F163 HydrophobicContact CE2-CZ 3.52Å
164E94.8Very high81.1Confident23 Ų2362.9 Ų62.911%0.10733%0.332CS..EExtended strand (participates in β ladder)trans-129.3144.3166-47.7-179.9119.800108.6I120 R122 K143 H162 Y166I120-E164 HydrophobicContact CG2-CB 3.68Å; I120-E164 HydrophobicContact CG2-CG 4.38Å; I120-E164 PolarHBondContact N-O 3.43Å; I120-E164 PolarHBondContact O-N 3.24Å; R122-E164 HydrophobicContact CG-CG 4.12Å; R122-E164 IonicContact CZ-OE2 2.58Å; R122-E164 IonicContact NE-OE2 2.71Å; R122-E164 PolarHBondContact NE-OE2 3.12Å; R122-E164 IonicContact NH2-OE2 2.7Å; R122-E164 PolarHBondContact NH2-OE2 3.28Å; R122-E164 VanDerWaalsContact NH2-OE2 3.14Å; K143-E164 IonicContact NZ-OE1 2.67Å; K143-E164 PolarHBondContact NZ-OE1 2.67Å; H162-E164 IonicContact NE2-OE1 3.6Å; E164-Y166 HydrophobicContact CB-CD2 4.26Å; E164-Y166 HydrophobicContact CB-CE2 3.6Å; E164-Y166 HydrophobicContact CG-CE2 4.47Å; E164-Y166 PolarHBondContact OE2-OH 3.42Å
165V95Very high78.3Confident3 Ų372.4 Ų72.42%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-119.6128.8173.4-1720000108R117 L118 Y119 K143 V144 D146 V149R117-V165 HydrophobicContact CB-CG1 4.31Å; R117-V165 HydrophobicContact CG-CG1 4.33Å; L118-V165 WeakPolarHBondContact O-CA 2.98Å; Y119-V165 HydrophobicContact CD1-CG1 4.22Å; Y119-V165 HydrophobicContact CD1-CG2 3.65Å; Y119-V165 HydrophobicContact CE1-CG1 3.95Å; Y119-V165 HydrophobicContact CE1-CG2 3.73Å; Y119-V165 HydrophobicContact CE2-CG1 4.27Å; Y119-V165 HydrophobicContact CG-CG1 4.47Å; Y119-V165 HydrophobicContact CG-CG2 4.4Å; K143-V165 WeakPolarHBondContact CA-O 3.45Å; V144-V165 HydrophobicContact CG2-CB 4Å; V144-V165 HydrophobicContact CG2-CG1 3.74Å; V144-V165 PolarHBondContact N-O 3.5Å; D146-V165 HydrophobicContact CB-CG2 4.01Å; V149-V165 HydrophobicContact CB-CG2 4.27Å; V149-V165 HydrophobicContact CG1-CG2 4.24Å; V149-V165 HydrophobicContact CG2-CG2 3.9Å
166Y95.7Very high77.6Confident18 Ų1868.8 Ų68.87%0.07137%0.369CS..EExtended strand (participates in β ladder)trans-118.3136.3177.4-66.4-89.6000109.6R117 L118 I120 F138 L141 K142 K143 E164R117-Y166 CarbonylContact C-O 3.53Å; R117-Y166 WeakPolarHBondContact CA-O 3.19Å; L118-Y166 PolarHBondContact N-O 3.3Å; L118-Y166 PolarHBondContact O-N 3.32Å; I120-Y166 HydrophobicContact CG2-CD2 3.9Å; I120-Y166 HydrophobicContact CG2-CE2 3.6Å; F138-Y166 HydrophobicContact CB-CE1 4.29Å; F138-Y166 HydrophobicContact CD1-CD1 4.31Å; F138-Y166 HydrophobicContact CD1-CD2 4.09Å; F138-Y166 AromaticContact CD1-CE1 3.95Å; F138-Y166 HydrophobicContact CD1-CE1 3.95Å; F138-Y166 AromaticContact CD1-CE2 3.72Å; F138-Y166 HydrophobicContact CD1-CE2 3.72Å; F138-Y166 HydrophobicContact CD1-CG 4.36Å; F138-Y166 AromaticContact CD1-CZ 3.63Å; F138-Y166 HydrophobicContact CE1-CD2 4.25Å; F138-Y166 AromaticContact CE1-CE2 3.96Å; F138-Y166 HydrophobicContact CE1-CE2 3.96Å; L141-Y166 HydrophobicContact CB-CD1 3.78Å; L141-Y166 HydrophobicContact CB-CG 4.28Å; L141-Y166 HydrophobicContact CD1-CD1 4.31Å; L141-Y166 HydrophobicContact CD1-CG 4.18Å; K142-Y166 CarbonylContact O-C 3.57Å; K142-Y166 WeakPolarHBondContact O-CA 3.45Å; K143-Y166 HydrophobicContact CB-CD1 4.02Å; K143-Y166 HydrophobicContact CB-CE1 3.86Å; K143-Y166 HydrophobicContact CD-CE1 4.37Å; K143-Y166 HydrophobicContact CG-CE1 4.19Å; E164-Y166 HydrophobicContact CB-CD2 4.26Å; E164-Y166 HydrophobicContact CB-CE2 3.6Å; E164-Y166 HydrophobicContact CG-CE2 4.47Å; E164-Y166 PolarHBondContact OE2-OH 3.42Å
167E94.6Very high77.1Confident29 Ų2970.2 Ų70.214%0.13638%0.378CS..EExtended strand (participates in β ladder)trans-101.1134.2175.5-167162.3-97.600109.4R117 K142 V144 N169R117-E167 HydrophobicContact CG-CB 4.48Å; R117-E167 HydrophobicContact CG-CG 4.47Å; R117-E167 IonicContact CZ-OE1 3.4Å; R117-E167 IonicContact NE-OE1 3.41Å; R117-E167 PolarHBondContact NE-OE1 3.03Å; R117-E167 IonicContact NH2-OE1 3.14Å; R117-E167 PolarHBondContact NH2-OE1 3.31Å; K142-E167 HydrophobicContact CB-CB 4.42Å; K142-E167 PolarHBondContact N-O 3.17Å; K142-E167 IonicContact NZ-OE2 3.74Å; K142-E167 PolarHBondContact O-N 2.87Å; V144-E167 HydrophobicContact CG1-CB 4.03Å; V144-E167 HydrophobicContact CG2-CB 4.34Å; E167-N169 PolarHBondContact O-N 3.07Å
168N91.3Very high76.7Confident11 Ų1164.1 Ų64.16%0.05936%0.362CS..  trans-78.9112.8176.6-175.26.8000109.7G113 W115 N116 S170 A171G113-N168 PolarHBondContact O-ND2 2.99Å; W115-N168 HydrophobicContact CD2-CB 3.99Å; W115-N168 HydrophobicContact CE3-CB 3.74Å; W115-N168 HydrophobicContact CH2-CB 3.69Å; W115-N168 HydrophobicContact CZ2-CB 3.93Å; W115-N168 HydrophobicContact CZ3-CB 3.59Å; W115-N168 WeakPolarHBondContact O-CB 3.23Å; W115-N168 PolarHBondContact O-ND2 2.85Å; N116-N168 PolarHBondContact O-N 3.07Å; N168-S170 PolarHBondContact O-N 2.67Å; N168-S170 PolarHBondContact OD1-N 2.71Å; N168-S170 VanDerWaalsContact OD1-N 3.15Å; N168-A171 HydrophobicContact CB-CB 4.22Å; N168-A171 PolarHBondContact O-N 3.3Å
169N76.7Confident76Confident79 Ų7964.5 Ų64.542%0.42235%0.348SS..G310 helixtrans-63.6-22.9179.4-69.4-37000112.9Q140 E167Q140-N169 PolarHBondContact O-ND2 3.22Å; E167-N169 PolarHBondContact O-N 3.07Å
170S66.2Low75.2Confident83 Ų8368.1 Ų68.158%0.5837%0.367SS*.G310 helixtrans-81.8-18.8-177.5-53.30000113.8N168 L172N168-S170 PolarHBondContact O-N 2.67Å; N168-S170 PolarHBondContact OD1-N 2.71Å; N168-S170 VanDerWaalsContact OD1-N 3.15Å; S170-L172 PolarHBondContact O-N 3.13Å
171A54Low74Confident44 Ų4469.5 Ų69.536%0.36437%0.373SS..G310 helixtrans-75.1-7.1-174.700000114W115 N168W115-A171 WeakPolarHBondContact O-CB 3.16Å; N168-A171 HydrophobicContact CB-CB 4.22Å; N168-A171 PolarHBondContact O-N 3.3Å
172L45.2Very low72.5Confident134 Ų13473.8 Ų73.870%0.70240%0.397SS*.G310 helixtrans-937.6-179.5-70166.8000113.6S170S170-L172 PolarHBondContact O-N 3.13Å
173H41.9Very low70.9Confident160 Ų16076.2 Ų76.274%0.74141%0.412SS*.  trans-114.26.1-171.5-84.9-54.7000117.1
174D38.2Very low68.9Low144 Ų14480.9 Ų80.977%0.7744%0.439SS*.  trans-111.488.7172.7-72.4-26.5000110.6
175D33.4Very low66.6Low243 Ų24386.2 Ų86.2100%1.29947%0.469SS*.  trans-104.90155.7-88.1-29.2000109.2

Retrieved 175 of 175 residues in 107.3 ms (Link to these results)

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