A0A5K4F1H8_SCHMA Loading...

Aminopeptidase P homologue (M24 family)

AlphaFold DB , UniProt , Accession A0A5K4F1H8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 269 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
1M80.3Confident88.4Confident145 Ų145115.2 Ų115.271%0.71458%0.58SS**  0141.80-169.7-161.5-157.800108.1V5 Y7M1-V5 WeakPolarHBondContact CA-O 3.48Å; M1-V5 WeakPolarHBondContact CG-O 3.38Å; M1-Y7 HydrophobicContact CB-CD1 4.06Å; M1-Y7 HydrophobicContact CB-CD2 3.64Å; M1-Y7 HydrophobicContact CB-CE1 3.76Å; M1-Y7 HydrophobicContact CB-CE2 3.28Å; M1-Y7 HydrophobicContact CB-CG 3.99Å; M1-Y7 HydrophobicContact CE-CD2 3.87Å; M1-Y7 HydrophobicContact CE-CE2 4.49Å; M1-Y7 HydrophobicContact CG-CD2 3.63Å; M1-Y7 HydrophobicContact CG-CE2 3.69Å; M1-Y7 HydrophobicContact CG-CG 4.12Å; M1-Y7 HydrophobicContact SD-CD2 3.1Å; M1-Y7 WeakPolarHBondContact SD-CD2 3.4Å; M1-Y7 HydrophobicContact SD-CE2 3.18Å; M1-Y7 WeakPolarHBondContact SD-CE2 3.3Å; M1-Y7 HydrophobicContact SD-CG 4.1Å
2A88.6Confident88.8Confident61 Ų61110.8 Ų110.850%0.50456%0.56SS.*BIsolated β-bridgetrans-136174.2176.300000108.9H4 V5A2-H4 PolarHBondContact O-N 3.35Å; A2-V5 HydrophobicContact CB-CB 4.21Å; A2-V5 HydrophobicContact CB-CG2 4.33Å; A2-V5 PolarHBondContact N-O 2.73Å; A2-V5 VanDerWaalsContact N-O 3.14Å; A2-V5 PolarHBondContact O-N 2.82Å; A2-V5 VanDerWaalsContact O-O 3.11Å
3Y84.6Confident89.1Confident213 Ų213107.1 Ų107.184%0.83555%0.548SS*.THydrogen-bonded Turntrans-50.5-37.1-171.2-173.4-108.1000114.9
4H86.3Confident89.4Confident161 Ų161101.5 Ų101.575%0.74552%0.52SS*.THydrogen-bonded Turntrans-114.111.9176.5-64.3-55.8000114.1A2A2-H4 PolarHBondContact O-N 3.35Å
5V87.2Confident89.8Confident91 Ų9196.7 Ų96.755%0.55249%0.494SS*.BIsolated β-bridgetrans-120.898.9-178.9-1770000108.2M1 A2M1-V5 WeakPolarHBondContact CA-O 3.48Å; M1-V5 WeakPolarHBondContact CG-O 3.38Å; A2-V5 HydrophobicContact CB-CB 4.21Å; A2-V5 HydrophobicContact CB-CG2 4.33Å; A2-V5 PolarHBondContact N-O 2.73Å; A2-V5 VanDerWaalsContact N-O 3.14Å; A2-V5 PolarHBondContact O-N 2.82Å; A2-V5 VanDerWaalsContact O-O 3.11Å
6P87.9Confident90.2Very high100 Ų10093.9 Ų93.965%0.64948%0.477SS*.PPolyproline II helixtrans-69.2159.3-17529.9-35.2000111.8
7Y90.6Very high90.6Very high162 Ų16292.2 Ų92.264%0.63546%0.464SS*.PPolyproline II helixtrans-68.6154.8160.6-77.8-69.5000109.3M1 F9M1-Y7 HydrophobicContact CB-CD1 4.06Å; M1-Y7 HydrophobicContact CB-CD2 3.64Å; M1-Y7 HydrophobicContact CB-CE1 3.76Å; M1-Y7 HydrophobicContact CB-CE2 3.28Å; M1-Y7 HydrophobicContact CB-CG 3.99Å; M1-Y7 HydrophobicContact CE-CD2 3.87Å; M1-Y7 HydrophobicContact CE-CE2 4.49Å; M1-Y7 HydrophobicContact CG-CD2 3.63Å; M1-Y7 HydrophobicContact CG-CE2 3.69Å; M1-Y7 HydrophobicContact CG-CG 4.12Å; M1-Y7 HydrophobicContact SD-CD2 3.1Å; M1-Y7 WeakPolarHBondContact SD-CD2 3.4Å; M1-Y7 HydrophobicContact SD-CE2 3.18Å; M1-Y7 WeakPolarHBondContact SD-CE2 3.3Å; M1-Y7 HydrophobicContact SD-CG 4.1Å; Y7-F9 PolarHBondContact O-N 3.47Å
8P90.3Very high90.9Very high120 Ų12091.1 Ų91.178%0.77946%0.456SS*.PPolyproline II helixtrans-51.9134165.6-24.834.7000110.6
9F91.8Very high91.2Very high88 Ų8886.7 Ų86.739%0.38644%0.435SS..PPolyproline II helixtrans-65.1137.4-179.1-178.2-109.5000111.2Y7 Q11 N22 P24Y7-F9 PolarHBondContact O-N 3.47Å; F9-Q11 HydrophobicContact CE1-CB 4.01Å; F9-Q11 HydrophobicContact CZ-CB 4.3Å; F9-N22 WeakPolarHBondContact CD1-O 3.09Å; F9-P24 HydrophobicContact CD2-CB 4.1Å; F9-P24 HydrophobicContact CE2-CB 3.73Å; F9-P24 HydrophobicContact CZ-CB 4.03Å
10H91.3Very high91.4Very high104 Ų10484.8 Ų84.848%0.48144%0.437SS..  trans-134.7115.8173-177.9-56.6000107.5R241H10-R241 PolarHBondContact CD2-NH1 3.48Å; H10-R241 PolarHBondContact CD2-NH2 3.42Å; H10-R241 VanDerWaalsContact CD2-NH2 3.31Å; H10-R241 PolarHBondContact CE1-NH1 3.34Å; H10-R241 VanDerWaalsContact NE2-CZ 3.25Å; H10-R241 PolarHBondContact NE2-NH1 3.43Å
11Q94Very high91.6Very high22 Ų2281.4 Ų81.410%0.10342%0.42CS..  trans-64.1151.8-178.3-170.460.2-83.300112.4F9 F15 F16 L21 E23F9-Q11 HydrophobicContact CE1-CB 4.01Å; F9-Q11 HydrophobicContact CZ-CB 4.3Å; Q11-F15 VanDerWaalsContact CD-CD1 3.4Å; Q11-F15 HydrophobicContact CG-CD1 3.79Å; Q11-F16 HydrophobicContact CB-CB 4.17Å; Q11-F16 HydrophobicContact CB-CD2 4.3Å; Q11-F16 HydrophobicContact CG-CB 3.75Å; Q11-F16 HydrophobicContact CG-CD2 4.26Å; Q11-F16 HydrophobicContact CG-CG 4.46Å; Q11-L21 WeakPolarHBondContact CG-O 2.87Å; Q11-L21 PolarHBondContact NE2-O 3.25Å; Q11-E23 PolarHBondContact NE2-O 3.13Å
12D92.5Very high92.2Very high63 Ų6378.5 Ų78.534%0.33741%0.407SS..  trans-57126.7164.1173-100.3000110.6N14 F15 F16D12-N14 VanDerWaalsContact C-N 3.27Å; D12-N14 PolarHBondContact O-N 3.11Å; D12-N14 WeakPolarHBondContact OD1-CA 3.17Å; D12-N14 WeakPolarHBondContact OD1-CB 3.32Å; D12-N14 PolarHBondContact OD1-N 2.96Å; D12-F15 HydrophobicContact CB-CB 4.06Å; D12-F15 PolarHBondContact O-N 3.33Å; D12-F15 PolarHBondContact OD1-N 2.73Å; D12-F16 WeakPolarHBondContact O-CB 3.13Å; D12-F16 PolarHBondContact O-N 2.69Å
13P93.2Very high92.4Very high62 Ų6278.9 Ų78.940%0.40340%0.399SS..Hα-helixtrans-60.3-32.7-176.3-26.135000114.3Y17P13-Y17 VanDerWaalsContact O-CB 3.25Å; P13-Y17 WeakPolarHBondContact O-CB 3.36Å; P13-Y17 PolarHBondContact O-N 3.17Å
14N93.6Very high92.7Very high29 Ų2970.6 Ų70.616%0.15537%0.371CS..Hα-helixtrans-74.4-46-179.8-70.3-19000110.5D12 F16 Y17 F18 I147 R151D12-N14 VanDerWaalsContact C-N 3.27Å; D12-N14 PolarHBondContact O-N 3.11Å; D12-N14 WeakPolarHBondContact OD1-CA 3.17Å; D12-N14 WeakPolarHBondContact OD1-CB 3.32Å; D12-N14 PolarHBondContact OD1-N 2.96Å; N14-F16 VanDerWaalsContact C-N 3.33Å; N14-F16 PolarHBondContact O-N 3Å; N14-Y17 WeakPolarHBondContact O-CB 3.23Å; N14-Y17 PolarHBondContact O-N 2.95Å; N14-F18 WeakPolarHBondContact O-CD2 3.47Å; N14-F18 PolarHBondContact O-N 3.33Å; N14-I147 HydrophobicContact CB-CG2 4.16Å; N14-I147 VanDerWaalsContact OD1-CG2 3.31Å; N14-I147 WeakPolarHBondContact OD1-CG2 3.43Å; N14-R151 WeakPolarHBondContact OD1-CD 3.37Å; N14-R151 PolarHBondContact OD1-NH1 2.78Å
15F95Very high93Very high29 Ų2967.1 Ų67.113%0.12736%0.358CS..Hα-helixtrans-59.2-44.7172.9-177.9-88.5000111.6Q11 D12 Y17 F18 T19 L21 L28 L50Q11-F15 VanDerWaalsContact CD-CD1 3.4Å; Q11-F15 HydrophobicContact CG-CD1 3.79Å; D12-F15 HydrophobicContact CB-CB 4.06Å; D12-F15 PolarHBondContact O-N 3.33Å; D12-F15 PolarHBondContact OD1-N 2.73Å; F15-Y17 VanDerWaalsContact C-N 3.31Å; F15-Y17 PolarHBondContact O-N 3.3Å; F15-F18 PolarHBondContact O-N 3.46Å; F15-T19 HydrophobicContact CD1-CG2 4.43Å; F15-T19 WeakPolarHBondContact CD1-OG1 3.32Å; F15-T19 HydrophobicContact CD2-CG2 4.37Å; F15-T19 HydrophobicContact CE1-CG2 4.13Å; F15-T19 VanDerWaalsContact CE1-OG1 3.32Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.4Å; F15-T19 HydrophobicContact CE2-CG2 4.05Å; F15-T19 HydrophobicContact CZ-CG2 3.93Å; F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 WeakPolarHBondContact O-CG2 3.5Å; F15-T19 PolarHBondContact O-N 3.38Å; F15-T19 PolarHBondContact O-OG1 2.9Å; F15-L21 HydrophobicContact CE1-CB 4.08Å; F15-L28 HydrophobicContact CD2-CB 4.21Å; F15-L28 HydrophobicContact CE2-CB 4Å; F15-L50 HydrophobicContact CE2-CD1 4.17Å; F15-L50 HydrophobicContact CZ-CD1 4.01Å
16F96Very high93.4Very high53 Ų5363.7 Ų63.723%0.23234%0.341CS..Hα-helixtrans-63.6-37177.2-169.9-105.1000112Q11 D12 N14 F18 T19 G20 N22Q11-F16 HydrophobicContact CB-CB 4.17Å; Q11-F16 HydrophobicContact CB-CD2 4.3Å; Q11-F16 HydrophobicContact CG-CB 3.75Å; Q11-F16 HydrophobicContact CG-CD2 4.26Å; Q11-F16 HydrophobicContact CG-CG 4.46Å; D12-F16 WeakPolarHBondContact O-CB 3.13Å; D12-F16 PolarHBondContact O-N 2.69Å; N14-F16 VanDerWaalsContact C-N 3.33Å; N14-F16 PolarHBondContact O-N 3Å; F16-F18 VanDerWaalsContact C-N 3.34Å; F16-F18 PolarHBondContact O-N 3.45Å; F16-T19 PolarHBondContact O-N 2.91Å; F16-G20 WeakPolarHBondContact CE2-O 3.5Å; F16-G20 WeakPolarHBondContact O-CA 3.41Å; F16-G20 PolarHBondContact O-N 3.48Å; F16-N22 HydrophobicContact CE2-CB 4.16Å
17Y96.3Very high93.8Very high64 Ų6459.6 Ų59.625%0.25131%0.313SS..Hα-helixtrans-61-41.6178.1-173.8-102000112.5P13 N14 F15 I150 R151P13-Y17 VanDerWaalsContact O-CB 3.25Å; P13-Y17 WeakPolarHBondContact O-CB 3.36Å; P13-Y17 PolarHBondContact O-N 3.17Å; N14-Y17 WeakPolarHBondContact O-CB 3.23Å; N14-Y17 PolarHBondContact O-N 2.95Å; F15-Y17 VanDerWaalsContact C-N 3.31Å; F15-Y17 PolarHBondContact O-N 3.3Å; Y17-I150 HydrophobicContact CE1-CG2 3.9Å; Y17-I150 WeakPolarHBondContact OH-CG2 3.36Å; Y17-R151 HydrophobicContact CD1-CG 3.98Å; Y17-R151 HydrophobicContact CD2-CG 3.88Å; Y17-R151 HydrophobicContact CE1-CG 4.02Å; Y17-R151 HydrophobicContact CE2-CG 3.92Å; Y17-R151 HydrophobicContact CG-CG 3.91Å
18F96.1Very high94.1Very high73 Ų7353.3 Ų53.332%0.3229%0.291SS..Hα-helixtrans-86.6-19.7-178.4-68.4-67.1000114.7N14 F15 F16 L28 F30 I147N14-F18 WeakPolarHBondContact O-CD2 3.47Å; N14-F18 PolarHBondContact O-N 3.33Å; F15-F18 PolarHBondContact O-N 3.46Å; F16-F18 VanDerWaalsContact C-N 3.34Å; F16-F18 PolarHBondContact O-N 3.45Å; F18-L28 HydrophobicContact CB-CD2 3.52Å; F18-L28 HydrophobicContact CG-CD2 4.35Å; F18-F30 HydrophobicContact CB-CZ 4.37Å; F18-F30 HydrophobicContact CD1-CZ 4.09Å; F18-F30 HydrophobicContact CG-CE2 4.47Å; F18-F30 HydrophobicContact CG-CZ 4.23Å; F18-I147 HydrophobicContact CE2-CB 4.5Å; F18-I147 HydrophobicContact CE2-CD1 4.13Å; F18-I147 HydrophobicContact CE2-CG1 3.91Å; F18-I147 HydrophobicContact CE2-CG2 3.87Å; F18-I147 HydrophobicContact CZ-CG1 4.08Å; F18-I147 HydrophobicContact CZ-CG2 4.21Å
19T96.9Very high94.4Very high8 Ų849.4 Ų49.45%0.04926%0.263CS..Hα-helixtrans-118.5-27.2-174.165.10000114.2F15 F16 L21 L28 L50 T76F15-T19 HydrophobicContact CD1-CG2 4.43Å; F15-T19 WeakPolarHBondContact CD1-OG1 3.32Å; F15-T19 HydrophobicContact CD2-CG2 4.37Å; F15-T19 HydrophobicContact CE1-CG2 4.13Å; F15-T19 VanDerWaalsContact CE1-OG1 3.32Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.4Å; F15-T19 HydrophobicContact CE2-CG2 4.05Å; F15-T19 HydrophobicContact CZ-CG2 3.93Å; F15-T19 WeakPolarHBondContact O-CB 3.49Å; F15-T19 WeakPolarHBondContact O-CG2 3.5Å; F15-T19 PolarHBondContact O-N 3.38Å; F15-T19 PolarHBondContact O-OG1 2.9Å; F16-T19 PolarHBondContact O-N 2.91Å; T19-L21 PolarHBondContact O-N 3.29Å; T19-L21 VanDerWaalsContact O-N 3.12Å; T19-L21 PolarHBondContact OG1-N 2.9Å; T19-L21 VanDerWaalsContact OG1-N 3.11Å; T19-L28 HydrophobicContact CG2-CB 4.3Å; T19-L28 HydrophobicContact CG2-CD1 4.44Å; T19-L28 HydrophobicContact CG2-CD2 3.78Å; T19-L28 HydrophobicContact CG2-CG 4.41Å; T19-L50 HydrophobicContact CG2-CD1 4.28Å; T19-T76 WeakPolarHBondContact O-CG2 3.31Å
20G95.5Very high94.5Very high47 Ų4750.4 Ų50.449%0.48527%0.267SS..  trans64.23.8-166.400000114.5F16F16-G20 WeakPolarHBondContact CE2-O 3.5Å; F16-G20 WeakPolarHBondContact O-CA 3.41Å; F16-G20 PolarHBondContact O-N 3.48Å
21L95.4Very high94.6Very high14 Ų1447.1 Ų47.17%0.07326%0.255CS..  trans-84.7125.6-177-66.4-173.4000111.6Q11 F15 T19 L50 L67 A75 T76Q11-L21 WeakPolarHBondContact CG-O 2.87Å; Q11-L21 PolarHBondContact NE2-O 3.25Å; F15-L21 HydrophobicContact CE1-CB 4.08Å; T19-L21 PolarHBondContact O-N 3.29Å; T19-L21 VanDerWaalsContact O-N 3.12Å; T19-L21 PolarHBondContact OG1-N 2.9Å; T19-L21 VanDerWaalsContact OG1-N 3.11Å; L21-L50 HydrophobicContact CD1-CD2 3.69Å; L21-L67 HydrophobicContact CD1-CD1 4.18Å; L21-L67 HydrophobicContact CD2-CD1 3.66Å; L21-L67 HydrophobicContact CG-CD1 4.48Å; L21-A75 HydrophobicContact CD2-CB 3.97Å; L21-T76 HydrophobicContact CD1-CG2 3.49Å; L21-T76 VanDerWaalsContact CD1-CG2 3.49Å; L21-T76 HydrophobicContact CD2-CG2 3.78Å; L21-T76 HydrophobicContact CG-CG2 3.42Å; L21-T76 VanDerWaalsContact CG-CG2 3.42Å
22N93.4Very high94.4Very high85 Ų8549.8 Ų49.846%0.45527%0.273SS..  trans-103.939174.8-164.949.5000112.3F9 F16F9-N22 WeakPolarHBondContact CD1-O 3.09Å; F16-N22 HydrophobicContact CE2-CB 4.16Å
23E92Very high93.8Very high69 Ų6952.6 Ų52.632%0.32229%0.288SS..  trans-104.8143.5175-68.6-62.4151.300111Q11 L67Q11-E23 PolarHBondContact NE2-O 3.13Å; E23-L67 HydrophobicContact CG-CD1 3.7Å; E23-L67 HydrophobicContact CG-CG 3.97Å
24P92.1Very high92.6Very high39 Ų3958.5 Ų58.525%0.25331%0.308SS..SBendtrans-69.4168.9173.432.4-36.2000111.5F9 G26F9-P24 HydrophobicContact CD2-CB 4.1Å; F9-P24 HydrophobicContact CE2-CB 3.73Å; F9-P24 HydrophobicContact CZ-CB 4.03Å; P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 3.42Å
25N92.7Very high90.7Very high88 Ų8861.4 Ų61.447%0.47133%0.327SS..SBendtrans60.237.2168.5-57.2-36.6000114.9E53 L84N25-E53 HydrophobicContact CB-CB 3.78Å; N25-E53 PolarHBondContact ND2-OE2 3.2Å; N25-L84 HydrophobicContact CB-CD2 3.97Å
26G94.9Very high88.8Confident18 Ų1869.2 Ų69.219%0.18636%0.363CS..  trans-96.2147.8171.400000113.3P24 F51P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 3.42Å; G26-F51 CarbonylContact C-O 3.57Å; G26-F51 VanDerWaalsContact CA-O 3.28Å; G26-F51 WeakPolarHBondContact CA-O 3.35Å
27I96.3Very high86.7Confident14 Ų1475.5 Ų75.57%0.07239%0.394CS..EExtended strand (participates in β ladder)trans-131.5121.7166.5-52.6169.9000108.3L29 L50 F51 L84 F87 F121 V122I27-L29 HydrophobicContact CG2-CD2 4.08Å; I27-L29 HydrophobicContact CG2-CG 4.35Å; I27-L50 CarbonylContact O-C 3.58Å; I27-L50 WeakPolarHBondContact O-CA 3.29Å; I27-F51 HydrophobicContact CB-CB 4.13Å; I27-F51 HydrophobicContact CB-CD2 4.4Å; I27-F51 PolarHBondContact N-O 3.38Å; I27-F51 PolarHBondContact O-N 3.49Å; I27-L84 HydrophobicContact CD1-CD1 3.53Å; I27-L84 HydrophobicContact CG1-CD1 3.95Å; I27-F87 HydrophobicContact CD1-CB 4.35Å; I27-F87 HydrophobicContact CD1-CD1 3.59Å; I27-F87 HydrophobicContact CD1-CD2 3.85Å; I27-F87 HydrophobicContact CD1-CE1 3.72Å; I27-F87 HydrophobicContact CD1-CE2 3.97Å; I27-F87 HydrophobicContact CD1-CG 3.66Å; I27-F87 HydrophobicContact CD1-CZ 3.91Å; I27-F87 HydrophobicContact CG2-CD2 4.41Å; I27-F87 HydrophobicContact CG2-CE2 3.87Å; I27-F87 HydrophobicContact CG2-CZ 4.21Å; I27-F121 HydrophobicContact CD1-CD1 4.45Å; I27-F121 HydrophobicContact CD1-CE1 4.16Å; I27-V122 HydrophobicContact CD1-CG2 3.63Å; I27-V122 HydrophobicContact CG1-CG2 3.86Å
28L96.7Very high84.6Confident31 Ų3180.1 Ų80.116%0.16241%0.411CS..EExtended strand (participates in β ladder)trans-101.5130.7171.4179.166.6000109.1F15 F18 T19 F30 L50 V78F15-L28 HydrophobicContact CD2-CB 4.21Å; F15-L28 HydrophobicContact CE2-CB 4Å; F18-L28 HydrophobicContact CB-CD2 3.52Å; F18-L28 HydrophobicContact CG-CD2 4.35Å; T19-L28 HydrophobicContact CG2-CB 4.3Å; T19-L28 HydrophobicContact CG2-CD1 4.44Å; T19-L28 HydrophobicContact CG2-CD2 3.78Å; T19-L28 HydrophobicContact CG2-CG 4.41Å; L28-F30 HydrophobicContact CD2-CD2 4.42Å; L28-F30 HydrophobicContact CD2-CE2 3.41Å; L28-F30 VanDerWaalsContact CD2-CE2 3.41Å; L28-F30 HydrophobicContact CD2-CZ 3.59Å; L28-F30 HydrophobicContact CG-CD2 4.36Å; L28-F30 HydrophobicContact CG-CE2 3.79Å; L28-F30 HydrophobicContact CG-CZ 4.2Å; L28-L50 HydrophobicContact CB-CD1 4.4Å; L28-L50 HydrophobicContact CD1-CD1 4.41Å; L28-V78 HydrophobicContact CD1-CG1 3.99Å
29L96Very high82.6Confident37 Ų3785.1 Ų85.119%0.19444%0.44CS..EExtended strand (participates in β ladder)trans-120.5139.2171.8-57.1178.2000110I27 T48 H49 F51 F87 F90I27-L29 HydrophobicContact CG2-CD2 4.08Å; I27-L29 HydrophobicContact CG2-CG 4.35Å; L29-T48 WeakPolarHBondContact O-CA 3.38Å; L29-H49 HydrophobicContact CB-CB 4.27Å; L29-H49 PolarHBondContact N-O 2.71Å; L29-H49 PolarHBondContact O-N 3.34Å; L29-F51 HydrophobicContact CD1-CD2 4.43Å; L29-F51 HydrophobicContact CD1-CE2 3.67Å; L29-F51 HydrophobicContact CD1-CZ 4.49Å; L29-F51 HydrophobicContact CG-CE2 4.23Å; L29-F87 HydrophobicContact CD1-CE2 3.97Å; L29-F87 HydrophobicContact CD2-CE2 4.27Å; L29-F87 HydrophobicContact CG-CE2 4.41Å; L29-F90 HydrophobicContact CD1-CD1 3.84Å; L29-F90 HydrophobicContact CD1-CE1 3.46Å; L29-F90 VanDerWaalsContact CD1-CE1 3.46Å; L29-F90 HydrophobicContact CD1-CZ 4.27Å
30F94.7Very high80.7Confident110 Ų11089.9 Ų89.948%0.48247%0.466SS..EExtended strand (participates in β ladder)trans-108.4121.5164-62.2-93.5000107.2F18 L28 W46 T48F18-F30 HydrophobicContact CB-CZ 4.37Å; F18-F30 HydrophobicContact CD1-CZ 4.09Å; F18-F30 HydrophobicContact CG-CE2 4.47Å; F18-F30 HydrophobicContact CG-CZ 4.23Å; L28-F30 HydrophobicContact CD2-CD2 4.42Å; L28-F30 HydrophobicContact CD2-CE2 3.41Å; L28-F30 VanDerWaalsContact CD2-CE2 3.41Å; L28-F30 HydrophobicContact CD2-CZ 3.59Å; L28-F30 HydrophobicContact CG-CD2 4.36Å; L28-F30 HydrophobicContact CG-CE2 3.79Å; L28-F30 HydrophobicContact CG-CZ 4.2Å; F30-W46 HydrophobicContact CD1-CE3 4.15Å; F30-W46 AromaticContact CD1-CZ3 3.87Å; F30-W46 HydrophobicContact CD1-CZ3 3.87Å; F30-W46 HydrophobicContact CE1-CZ3 4.11Å; F30-T48 HydrophobicContact CD1-CG2 3.6Å; F30-T48 HydrophobicContact CE1-CG2 3.66Å
31C92.9Very high78.9Confident34 Ų3495.7 Ų95.723%0.2348%0.48CS..EExtended strand (participates in β ladder)trans-111.2134.5178.6-65.20000108.7W46 S47C31-W46 CarbonylContact O-C 3.48Å; C31-W46 WeakPolarHBondContact O-CA 3.28Å; C31-W46 VanDerWaalsContact O-CB 3.31Å; C31-W46 WeakPolarHBondContact O-CB 3.33Å; C31-S47 PolarHBondContact N-O 3.35Å; C31-S47 PolarHBondContact O-N 3.38Å
32T89.5Confident77.1Confident78 Ų7899.2 Ų99.248%0.47951%0.506SS..EExtended strand (participates in β ladder)trans-142.9138.7176.6-178.50000109.9K34 N45T32-K34 PolarHBondContact O-N 3.42Å; T32-N45 PolarHBondContact OG1-O 3.15Å
33D80.8Confident75.4Confident122 Ų12299.5 Ų99.565%0.65251%0.508SS*.  trans-90.9100.1173-68.5-30.2000108.4T35 N45D33-T35 PolarHBondContact O-N 3.16Å; D33-N45 PolarHBondContact N-O 3.4Å
34K67.1Low74.3Confident187 Ų187100.6 Ų100.681%0.81352%0.515SS*.  trans-73.8107.4167.9-114.3-173.9177.6-173.60108.1T32T32-K34 PolarHBondContact O-N 3.42Å
35T55.2Low73.9Confident90 Ų90104.6 Ų104.655%0.55254%0.535SS*.  trans-85.2123.7160.556.50000107.2D33 E37D33-T35 PolarHBondContact O-N 3.16Å; T35-E37 PolarHBondContact O-N 3.05Å
36E54.7Low73.7Confident192 Ų192108 Ų10890%0.89754%0.541SS*.THydrogen-bonded Turntrans-62.8-5.9-179.9-68.6-171.5161.400113.1
37E52.1Low73.7Confident186 Ų186108.8 Ų108.887%0.86954%0.543SS*.THydrogen-bonded Turntrans-103.23.5-168.2-64.6-170.9159.500115.4T35T35-E37 PolarHBondContact O-N 3.05Å
38R52.1Low73.7Confident161 Ų161108.6 Ų108.661%0.60854%0.543SS*.  trans-134105.7-178.5-62.9-172.5-171.8-173.15.3112.5D40 D43R38-D40 PolarHBondContact O-N 3.32Å; R38-D43 IonicContact CZ-OD2 3.99Å; R38-D43 IonicContact NH1-OD2 2.82Å; R38-D43 PolarHBondContact NH1-OD2 2.88Å
39D53.4Low73.8Confident177 Ų177108.1 Ų108.195%0.94754%0.54SS*.  trans-76.1-3171-110.8-9.9000112.9Q41D39-Q41 PolarHBondContact O-N 3.48Å
40D56.5Low73.9Confident108 Ų108106.4 Ų106.458%0.57853%0.531SS*.  trans-86.1111.2177-158.8-25.8000110R38 S42R38-D40 PolarHBondContact O-N 3.32Å; D40-S42 PolarHBondContact O-N 2.99Å; D40-S42 WeakPolarHBondContact OD1-CB 3.28Å; D40-S42 PolarHBondContact OD1-N 2.82Å; D40-S42 PolarHBondContact OD1-OG 3.2Å; D40-S42 PolarHBondContact OD2-OG 3.47Å
41Q57.6Low74Confident170 Ų170101.1 Ų101.179%0.79451%0.508SS*.G310 helixtrans-61.6-13.5179.3-70.1-179.55.800113.3D39 D43D39-Q41 PolarHBondContact O-N 3.48Å; Q41-D43 VanDerWaalsContact C-N 3.28Å; Q41-D43 PolarHBondContact O-N 3.41Å
42S58.2Low74.2Confident87 Ų87100 Ų10061%0.60850%0.5SS*.G310 helixtrans-70.1-16.6-174.756.70000115.3D40D40-S42 PolarHBondContact O-N 2.99Å; D40-S42 WeakPolarHBondContact OD1-CB 3.28Å; D40-S42 PolarHBondContact OD1-N 2.82Å; D40-S42 PolarHBondContact OD1-OG 3.2Å; D40-S42 PolarHBondContact OD2-OG 3.47Å
43D59Low74.4Confident92 Ų9299.1 Ų99.149%0.49249%0.49SS..G310 helixtrans-111.814.4-174.5-90.1-4.6000114.2R38 Q41 N45R38-D43 IonicContact CZ-OD2 3.99Å; R38-D43 IonicContact NH1-OD2 2.82Å; R38-D43 PolarHBondContact NH1-OD2 2.88Å; Q41-D43 VanDerWaalsContact C-N 3.28Å; Q41-D43 PolarHBondContact O-N 3.41Å; D43-N45 PolarHBondContact O-N 3.07Å
44L67.2Low74.9Confident91 Ų9196.7 Ų96.748%0.47648%0.48SS..  trans-66.4103.7178.7-80.1160.5000110.9W46L44-W46 PolarHBondContact O-N 3.06Å
45N83.8Confident75.8Confident124 Ų12489.7 Ų89.766%0.66345%0.448SS*.  trans-76119.5166.8-75.5-21.9000109.2T32 D33 D43T32-N45 PolarHBondContact OG1-O 3.15Å; D33-N45 PolarHBondContact N-O 3.4Å; D43-N45 PolarHBondContact O-N 3.07Å
46W90.2Very high77.4Confident159 Ų15990.3 Ų90.360%0.60245%0.448SS*.EExtended strand (participates in β ladder)trans-138.5155.7173.666.8-76.7000110.3F30 C31 L44 T48F30-W46 HydrophobicContact CD1-CE3 4.15Å; F30-W46 AromaticContact CD1-CZ3 3.87Å; F30-W46 HydrophobicContact CD1-CZ3 3.87Å; F30-W46 HydrophobicContact CE1-CZ3 4.11Å; C31-W46 CarbonylContact O-C 3.48Å; C31-W46 WeakPolarHBondContact O-CA 3.28Å; C31-W46 VanDerWaalsContact O-CB 3.31Å; C31-W46 WeakPolarHBondContact O-CB 3.33Å; L44-W46 PolarHBondContact O-N 3.06Å; W46-T48 HydrophobicContact CE3-CG2 3.98Å; W46-T48 HydrophobicContact CH2-CG2 4.39Å; W46-T48 HydrophobicContact CZ3-CG2 3.4Å
47S94Very high79Confident34 Ų3489.8 Ų89.824%0.23844%0.443CS..EExtended strand (participates in β ladder)trans-139.5156175.766.40000111C31 H49 D79C31-S47 PolarHBondContact N-O 3.35Å; C31-S47 PolarHBondContact O-N 3.38Å; S47-H49 PolarHBondContact OG-NE2 3.35Å; S47-D79 WeakPolarHBondContact CA-OD2 3.18Å
48T96.8Very high80.8Confident10 Ų1086.9 Ų86.96%0.06143%0.429CS..EExtended strand (participates in β ladder)trans-110.7137.2175.753.30000111.2L29 F30 W46 V78 D79 N80L29-T48 WeakPolarHBondContact O-CA 3.38Å; F30-T48 HydrophobicContact CD1-CG2 3.6Å; F30-T48 HydrophobicContact CE1-CG2 3.66Å; W46-T48 HydrophobicContact CE3-CG2 3.98Å; W46-T48 HydrophobicContact CH2-CG2 4.39Å; W46-T48 HydrophobicContact CZ3-CG2 3.4Å; T48-V78 VanDerWaalsContact OG1-CA 3.26Å; T48-V78 WeakPolarHBondContact OG1-CA 3.48Å; T48-V78 WeakPolarHBondContact OG1-CB 3.38Å; T48-D79 PolarHBondContact N-OD2 2.94Å; T48-D79 PolarHBondContact OG1-N 3.41Å; T48-D79 PolarHBondContact OG1-OD2 3.39Å; T48-N80 PolarHBondContact O-N 3.27Å; T48-N80 PolarHBondContact O-ND2 3.09Å
49H97.7Very high82.5Confident22 Ų2280.4 Ų80.410%0.10241%0.41CS..EExtended strand (participates in β ladder)trans-128.3122.2177.3-64.5-106.9000109.2L29 S47 F51 N80 H82 F90L29-H49 HydrophobicContact CB-CB 4.27Å; L29-H49 PolarHBondContact N-O 2.71Å; L29-H49 PolarHBondContact O-N 3.34Å; S47-H49 PolarHBondContact OG-NE2 3.35Å; H49-F51 HydrophobicContact CB-CE2 3.97Å; H49-N80 CarbonylContact C-O 3.59Å; H49-N80 WeakPolarHBondContact CA-O 3.45Å; H49-N80 PolarHBondContact CE1-ND2 3.07Å; H49-H82 AromaticContact ND1-CD2 3.93Å; H49-H82 AromaticContact ND1-NE2 3.16Å; H49-H82 PolarHBondContact ND1-NE2 2.86Å; H49-H82 VanDerWaalsContact ND1-NE2 3.16Å; H49-F90 AromaticContact CE1-CE2 3.7Å; H49-F90 AromaticContact ND1-CE2 3.5Å; H49-F90 AromaticContact ND1-CZ 3.99Å
50L98.1Very high84.3Confident0 Ų075 Ų750%038%0.379CS..EExtended strand (participates in β ladder)trans-111.1121.7176.2-17868.5000109.7F15 T19 L21 I27 L28 V52 A72 T76 V78 N80 S81 H82F15-L50 HydrophobicContact CE2-CD1 4.17Å; F15-L50 HydrophobicContact CZ-CD1 4.01Å; T19-L50 HydrophobicContact CG2-CD1 4.28Å; L21-L50 HydrophobicContact CD1-CD2 3.69Å; I27-L50 CarbonylContact O-C 3.58Å; I27-L50 WeakPolarHBondContact O-CA 3.29Å; L28-L50 HydrophobicContact CB-CD1 4.4Å; L28-L50 HydrophobicContact CD1-CD1 4.41Å; L50-V52 HydrophobicContact CD1-CG1 4.42Å; L50-V52 HydrophobicContact CD2-CG1 3.9Å; L50-V52 HydrophobicContact CG-CG1 3.82Å; L50-A72 HydrophobicContact CD2-CB 3.98Å; L50-T76 HydrophobicContact CD2-CG2 3.91Å; L50-V78 HydrophobicContact CB-CB 4.39Å; L50-V78 HydrophobicContact CB-CG1 4.25Å; L50-V78 HydrophobicContact CB-CG2 3.76Å; L50-V78 HydrophobicContact CD2-CG2 4.25Å; L50-N80 PolarHBondContact N-O 2.86Å; L50-S81 CarbonylContact O-C 3.57Å; L50-S81 VanDerWaalsContact O-CA 3.31Å; L50-S81 WeakPolarHBondContact O-CA 3.42Å; L50-H82 PolarHBondContact O-N 3.19Å
51F97.7Very high86Confident0 Ų076.4 Ų76.40%039%0.385CS..EExtended strand (participates in β ladder)trans-101125.1172.2-62.7-97000108.8G26 I27 L29 H49 H82 L84 F87 F90G26-F51 CarbonylContact C-O 3.57Å; G26-F51 VanDerWaalsContact CA-O 3.28Å; G26-F51 WeakPolarHBondContact CA-O 3.35Å; I27-F51 HydrophobicContact CB-CB 4.13Å; I27-F51 HydrophobicContact CB-CD2 4.4Å; I27-F51 PolarHBondContact N-O 3.38Å; I27-F51 PolarHBondContact O-N 3.49Å; L29-F51 HydrophobicContact CD1-CD2 4.43Å; L29-F51 HydrophobicContact CD1-CE2 3.67Å; L29-F51 HydrophobicContact CD1-CZ 4.49Å; L29-F51 HydrophobicContact CG-CE2 4.23Å; H49-F51 HydrophobicContact CB-CE2 3.97Å; F51-H82 VanDerWaalsContact CA-O 3.3Å; F51-H82 WeakPolarHBondContact CA-O 3.24Å; F51-H82 HydrophobicContact CD1-CB 3.52Å; F51-H82 HydrophobicContact CE1-CB 3.53Å; F51-H82 AromaticContact CE1-CG 3.85Å; F51-H82 HydrophobicContact CG-CB 4.23Å; F51-H82 HydrophobicContact CZ-CB 4.27Å; F51-L84 HydrophobicContact CB-CD1 4.15Å; F51-F87 HydrophobicContact CD1-CB 3.77Å; F51-F87 HydrophobicContact CD1-CD2 4.2Å; F51-F87 HydrophobicContact CD1-CG 4.5Å; F51-F87 AromaticContact CD2-CD2 3.84Å; F51-F87 HydrophobicContact CD2-CD2 3.84Å; F51-F87 HydrophobicContact CE1-CB 4.08Å; F51-F87 HydrophobicContact CE1-CD2 4.23Å; F51-F87 AromaticContact CE2-CD2 3.87Å; F51-F87 HydrophobicContact CE2-CD2 3.87Å; F51-F87 HydrophobicContact CE2-CE2 4.48Å; F51-F87 HydrophobicContact CG-CB 4.19Å; F51-F87 HydrophobicContact CG-CD2 4.03Å; F51-F87 HydrophobicContact CZ-CD2 4.08Å; F51-F90 HydrophobicContact CE1-CB 4.04Å; F51-F90 HydrophobicContact CE1-CG 4.42Å; F51-F90 HydrophobicContact CE2-CD1 4.47Å; F51-F90 HydrophobicContact CE2-CG 4.45Å; F51-F90 HydrophobicContact CZ-CB 3.69Å; F51-F90 HydrophobicContact CZ-CD1 4.01Å; F51-F90 AromaticContact CZ-CD2 3.94Å; F51-F90 HydrophobicContact CZ-CD2 3.94Å; F51-F90 AromaticContact CZ-CG 3.6Å; F51-F90 HydrophobicContact CZ-CG 3.6Å
52V96.4Very high87.4Confident11 Ų1177.5 Ų77.57%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-125147.5179.9-61.70000111.6L50 T54 L69 A72 H82 P83 L84L50-V52 HydrophobicContact CD1-CG1 4.42Å; L50-V52 HydrophobicContact CD2-CG1 3.9Å; L50-V52 HydrophobicContact CG-CG1 3.82Å; V52-T54 PolarHBondContact O-N 2.77Å; V52-L69 HydrophobicContact CG2-CD2 3.55Å; V52-A72 HydrophobicContact CG1-CB 4.04Å; V52-A72 HydrophobicContact CG2-CB 4.32Å; V52-H82 PolarHBondContact N-O 3.29Å; V52-P83 CarbonylContact O-C 3.44Å; V52-L84 WeakPolarHBondContact O-CB 3.31Å; V52-L84 PolarHBondContact O-N 3.06Å
53E94Very high88.7Confident58 Ų5878.6 Ų78.627%0.27138%0.381SS..PPolyproline II helixtrans-66.3120.2170.7-178.3-173.2-16700110.2N25 R55N25-E53 HydrophobicContact CB-CB 3.78Å; N25-E53 PolarHBondContact ND2-OE2 3.2Å; E53-R55 HydrophobicContact CG-CG 4.19Å; E53-R55 IonicContact OE1-NE 2.85Å; E53-R55 IonicContact OE2-CZ 2.86Å; E53-R55 IonicContact OE2-NE 3.54Å; E53-R55 PolarHBondContact OE2-NE 2.99Å; E53-R55 IonicContact OE2-NH2 3.58Å; E53-R55 PolarHBondContact OE2-NH2 2.9Å
54T90.2Very high90.1Very high72 Ų7275.5 Ų75.544%0.44237%0.371SS..PPolyproline II helixtrans-98.9117.417156.50000109.3V52 L69 P83V52-T54 PolarHBondContact O-N 2.77Å; T54-L69 HydrophobicContact CG2-CD2 3.94Å; T54-L69 HydrophobicContact CG2-CG 4.45Å; T54-P83 HydrophobicContact CG2-CB 4.22Å
55R87.9Confident91.2Very high39 Ų3975.9 Ų75.915%0.14738%0.379CS..PPolyproline II helixtrans-92.5150.4-179.7-65.3-178.9-171.1126.614.9111.3E53 A59 E60 G64 P65 S66E53-R55 HydrophobicContact CG-CG 4.19Å; E53-R55 IonicContact OE1-NE 2.85Å; E53-R55 IonicContact OE2-CZ 2.86Å; E53-R55 IonicContact OE2-NE 3.54Å; E53-R55 PolarHBondContact OE2-NE 2.99Å; E53-R55 IonicContact OE2-NH2 3.58Å; E53-R55 PolarHBondContact OE2-NH2 2.9Å; R55-A59 HydrophobicContact CB-CB 4Å; R55-A59 HydrophobicContact CG-CB 4.24Å; R55-E60 HydrophobicContact CB-CG 3.83Å; R55-G64 PolarHBondContact NH1-O 2.99Å; R55-P65 PolarHBondContact NH1-O 3.32Å; R55-S66 WeakPolarHBondContact CB-OG 3.08Å; R55-S66 PolarHBondContact N-OG 2.92Å
56N88Confident91.5Very high104 Ų10470.8 Ų70.856%0.55635%0.353SS*.PPolyproline II helixtrans-87.6165.216667.525.3000110H58 A59 E60N56-H58 PolarHBondContact O-N 3.15Å; N56-H58 WeakPolarHBondContact OD1-CB 3.26Å; N56-H58 PolarHBondContact OD1-N 2.94Å; N56-A59 PolarHBondContact O-N 3.22Å; N56-A59 PolarHBondContact OD1-N 3.4Å; N56-E60 PolarHBondContact O-N 3.42Å; N56-E60 VanDerWaalsContact O-N 3.09Å
57K89Confident91.5Very high181 Ų18165 Ų6579%0.78733%0.334SS*.Hα-helixtrans-52-33.4-180-68.1-174.6177.2-177.80113.6I61K57-I61 WeakPolarHBondContact O-CG1 3.04Å; K57-I61 PolarHBondContact O-N 2.93Å
58H89.1Confident91.5Very high125 Ų12566.9 Ų66.958%0.57934%0.344SS*.Hα-helixtrans-68-45178.1-177.477.8000111.7N56 E60 I61 W62N56-H58 PolarHBondContact O-N 3.15Å; N56-H58 WeakPolarHBondContact OD1-CB 3.26Å; N56-H58 PolarHBondContact OD1-N 2.94Å; H58-E60 VanDerWaalsContact C-N 3.34Å; H58-E60 PolarHBondContact O-N 3.3Å; H58-I61 PolarHBondContact O-N 3.34Å; H58-W62 AromaticContact CE1-NE1 3.73Å; H58-W62 AromaticContact NE2-NE1 3.61Å; H58-W62 VanDerWaalsContact O-CD1 3.29Å
59A87.8Confident91.4Very high24 Ų2469 Ų6920%0.19836%0.355CS..Hα-helixtrans-68.2-31.9178.500000112.8R55 N56 I61 W62 N63R55-A59 HydrophobicContact CB-CB 4Å; R55-A59 HydrophobicContact CG-CB 4.24Å; N56-A59 PolarHBondContact O-N 3.22Å; N56-A59 PolarHBondContact OD1-N 3.4Å; A59-I61 VanDerWaalsContact C-N 3.33Å; A59-W62 PolarHBondContact O-N 3.12Å; A59-N63 PolarHBondContact O-N 3.3Å; A59-N63 PolarHBondContact O-ND2 3.13Å; A59-N63 VanDerWaalsContact O-ND2 3.12Å
60E91.6Very high91.2Very high64 Ų6472.3 Ų72.330%0.29938%0.38SS..Hα-helixtrans-67.7-31.1176.7-65.9-173.3147.800113.2R55 N56 H58 W62 G64 S66R55-E60 HydrophobicContact CB-CG 3.83Å; N56-E60 PolarHBondContact O-N 3.42Å; N56-E60 VanDerWaalsContact O-N 3.09Å; H58-E60 VanDerWaalsContact C-N 3.34Å; H58-E60 PolarHBondContact O-N 3.3Å; E60-W62 PolarHBondContact O-N 3.05Å; E60-G64 WeakPolarHBondContact CA-O 3.4Å; E60-G64 CarbonylContact O-C 3.6Å; E60-G64 WeakPolarHBondContact O-CA 3.34Å; E60-G64 PolarHBondContact O-N 2.99Å; E60-S66 PolarHBondContact OE1-N 3.16Å
61I91.1Very high91.1Very high138 Ų13876.9 Ų76.971%0.70840%0.402SS*.Hα-helixtrans-60.4-35.9173.8-68.9165000111K57 H58 A59K57-I61 WeakPolarHBondContact O-CG1 3.04Å; K57-I61 PolarHBondContact O-N 2.93Å; H58-I61 PolarHBondContact O-N 3.34Å; A59-I61 VanDerWaalsContact C-N 3.33Å
62W87.5Confident91Very high192 Ų19276.9 Ų76.973%0.72740%0.402SS*.Hα-helixtrans-88.3-39.4-178-68.9102.5000113.5H58 A59 E60H58-W62 AromaticContact CE1-NE1 3.73Å; H58-W62 AromaticContact NE2-NE1 3.61Å; H58-W62 VanDerWaalsContact O-CD1 3.29Å; A59-W62 PolarHBondContact O-N 3.12Å; E60-W62 PolarHBondContact O-N 3.05Å
63N85.6Confident90.9Very high110 Ų11078.1 Ų78.159%0.58841%0.411SS*.Hα-helixtrans-113.3-1-167.4-57.5-65.6000113.9A59A59-N63 PolarHBondContact O-N 3.3Å; A59-N63 PolarHBondContact O-ND2 3.13Å; A59-N63 VanDerWaalsContact O-ND2 3.12Å
64G88.9Confident91Very high28 Ų2882.4 Ų82.429%0.28944%0.435SS..  trans79.9169.2-168.200000112.7R55 E60R55-G64 PolarHBondContact NH1-O 2.99Å; E60-G64 WeakPolarHBondContact CA-O 3.4Å; E60-G64 CarbonylContact O-C 3.6Å; E60-G64 WeakPolarHBondContact O-CA 3.34Å; E60-G64 PolarHBondContact O-N 2.99Å
65P89.7Confident91.2Very high99 Ų9982.1 Ų82.164%0.64344%0.44SS*.  trans-59.1152.2-179.227.4-35.1000111.4R55R55-P65 PolarHBondContact NH1-O 3.32Å
66S89.3Confident91.7Very high16 Ų1681.6 Ų81.611%0.11244%0.441CS..  trans-108.3151.9166.756.50000110.3R55 E60 T68R55-S66 WeakPolarHBondContact CB-OG 3.08Å; R55-S66 PolarHBondContact N-OG 2.92Å; E60-S66 PolarHBondContact OE1-N 3.16Å; S66-T68 PolarHBondContact O-N 3.27Å
67L90.8Very high92Very high39 Ų3979.7 Ų79.720%0.20445%0.446CS..  trans-58.4134170.4-67171.6000110.6L21 E23 E71 A72L21-L67 HydrophobicContact CD1-CD1 4.18Å; L21-L67 HydrophobicContact CD2-CD1 3.66Å; L21-L67 HydrophobicContact CG-CD1 4.48Å; E23-L67 HydrophobicContact CG-CD1 3.7Å; E23-L67 HydrophobicContact CG-CG 3.97Å; L67-E71 HydrophobicContact CB-CB 4.48Å; L67-E71 HydrophobicContact CD2-CB 3.91Å; L67-A72 HydrophobicContact CB-CB 4.45Å
68T93.2Very high92.4Very high72 Ų7272 Ų7244%0.44241%0.414SS..  trans-68.2159.7161.664.50000110S66 S70 E71 A72S66-T68 PolarHBondContact O-N 3.27Å; T68-S70 PolarHBondContact O-N 3.01Å; T68-E71 WeakPolarHBondContact CB-OE2 3.43Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.24Å; T68-E71 PolarHBondContact N-OE2 2.96Å; T68-E71 PolarHBondContact O-N 3.35Å; T68-E71 WeakPolarHBondContact OG1-CB 3.42Å; T68-E71 VanDerWaalsContact OG1-CD 3.23Å; T68-E71 WeakPolarHBondContact OG1-CG 3.3Å; T68-E71 PolarHBondContact OG1-N 3.21Å; T68-E71 PolarHBondContact OG1-OE2 3.33Å; T68-A72 WeakPolarHBondContact O-CB 3.5Å; T68-A72 PolarHBondContact O-N 3.07Å
69L95.5Very high92.7Very high56 Ų5670.7 Ų70.729%0.29341%0.411SS..Hα-helixtrans-58.7-35.9176.6-56.4-177.7000112.1V52 T54 A72 S73 S81 H82 P83V52-L69 HydrophobicContact CG2-CD2 3.55Å; T54-L69 HydrophobicContact CG2-CD2 3.94Å; T54-L69 HydrophobicContact CG2-CG 4.45Å; L69-A72 PolarHBondContact O-N 3.21Å; L69-S73 PolarHBondContact O-N 2.96Å; L69-S73 PolarHBondContact O-OG 3.48Å; L69-S81 WeakPolarHBondContact O-CB 3.43Å; L69-H82 VanDerWaalsContact CD2-C 3.47Å; L69-P83 HydrophobicContact CD1-CG 4.03Å; L69-P83 HydrophobicContact CD2-CG 4.46Å
70S94.7Very high93.2Very high91 Ų9172.4 Ų72.464%0.63642%0.417SS*.Hα-helixtrans-66.2-45177.3-173.20000111.7T68 S73 L74T68-S70 PolarHBondContact O-N 3.01Å; S70-S73 PolarHBondContact O-N 2.97Å; S70-L74 WeakPolarHBondContact O-CB 3.27Å; S70-L74 PolarHBondContact O-N 3.44Å
71E94.7Very high93.5Very high96 Ų9670.3 Ų70.345%0.44941%0.409SS..Hα-helixtrans-65.4-39.8176.3-70.1162.1145.600111.6L67 T68 L74 A75L67-E71 HydrophobicContact CB-CB 4.48Å; L67-E71 HydrophobicContact CD2-CB 3.91Å; T68-E71 WeakPolarHBondContact CB-OE2 3.43Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.24Å; T68-E71 PolarHBondContact N-OE2 2.96Å; T68-E71 PolarHBondContact O-N 3.35Å; T68-E71 WeakPolarHBondContact OG1-CB 3.42Å; T68-E71 VanDerWaalsContact OG1-CD 3.23Å; T68-E71 WeakPolarHBondContact OG1-CG 3.3Å; T68-E71 PolarHBondContact OG1-N 3.21Å; T68-E71 PolarHBondContact OG1-OE2 3.33Å; E71-L74 PolarHBondContact O-N 3.26Å; E71-A75 WeakPolarHBondContact O-CB 3.21Å; E71-A75 PolarHBondContact O-N 3.29Å
72A95.5Very high93.8Very high0 Ų065.5 Ų65.50%038%0.384CS..Hα-helixtrans-61.7-47.2175.200000111.5L50 V52 L67 T68 L69 A75 T76L50-A72 HydrophobicContact CD2-CB 3.98Å; V52-A72 HydrophobicContact CG1-CB 4.04Å; V52-A72 HydrophobicContact CG2-CB 4.32Å; L67-A72 HydrophobicContact CB-CB 4.45Å; T68-A72 WeakPolarHBondContact O-CB 3.5Å; T68-A72 PolarHBondContact O-N 3.07Å; L69-A72 PolarHBondContact O-N 3.21Å; A72-A75 PolarHBondContact O-N 2.7Å; A72-T76 WeakPolarHBondContact O-CB 3.31Å; A72-T76 VanDerWaalsContact O-CG2 3.3Å; A72-T76 WeakPolarHBondContact O-CG2 3.11Å; A72-T76 PolarHBondContact O-N 3.4Å; A72-T76 VanDerWaalsContact O-N 3.14Å; A72-T76 PolarHBondContact O-OG1 3.46Å
73S95.5Very high94.2Very high36 Ų3657.5 Ų57.525%0.25236%0.356SS..Hα-helixtrans-60.1-46.8174.2-820000112.3L69 S70 A75 T76 G77 S81L69-S73 PolarHBondContact O-N 2.96Å; L69-S73 PolarHBondContact O-OG 3.48Å; S70-S73 PolarHBondContact O-N 2.97Å; S73-A75 PolarHBondContact O-N 3.05Å; S73-T76 PolarHBondContact O-N 3.14Å; S73-G77 WeakPolarHBondContact O-CA 3.42Å; S73-G77 PolarHBondContact O-N 3.38Å; S73-S81 PolarHBondContact N-OG 2.58Å; S73-S81 VanDerWaalsContact OG-CB 3.3Å; S73-S81 WeakPolarHBondContact OG-CB 3.46Å; S73-S81 PolarHBondContact OG-OG 3.46Å
74L95.9Very high94.7Very high149 Ų14953.9 Ų53.978%0.7834%0.337SS*.Hα-helixtrans-64.1-40.8-178.9-178.263.9000112.4S70 E71S70-L74 WeakPolarHBondContact O-CB 3.27Å; S70-L74 PolarHBondContact O-N 3.44Å; E71-L74 PolarHBondContact O-N 3.26Å
75A94.9Very high95Very high66 Ų6657.1 Ų57.155%0.54536%0.355SS..Hα-helixtrans-72.3-31-177.700000113.1L21 E71 A72 S73L21-A75 HydrophobicContact CD2-CB 3.97Å; E71-A75 WeakPolarHBondContact O-CB 3.21Å; E71-A75 PolarHBondContact O-N 3.29Å; A72-A75 PolarHBondContact O-N 2.7Å; S73-A75 PolarHBondContact O-N 3.05Å
76T96.7Very high95.3Very high28 Ų2856.3 Ų56.317%0.17234%0.343CS..Hα-helixtrans-104.9-25.3-171.660.70000114.3T19 L21 L50 A72 S73 V78T19-T76 WeakPolarHBondContact O-CG2 3.31Å; L21-T76 HydrophobicContact CD1-CG2 3.49Å; L21-T76 VanDerWaalsContact CD1-CG2 3.49Å; L21-T76 HydrophobicContact CD2-CG2 3.78Å; L21-T76 HydrophobicContact CG-CG2 3.42Å; L21-T76 VanDerWaalsContact CG-CG2 3.42Å; L50-T76 HydrophobicContact CD2-CG2 3.91Å; A72-T76 WeakPolarHBondContact O-CB 3.31Å; A72-T76 VanDerWaalsContact O-CG2 3.3Å; A72-T76 WeakPolarHBondContact O-CG2 3.11Å; A72-T76 PolarHBondContact O-N 3.4Å; A72-T76 VanDerWaalsContact O-N 3.14Å; A72-T76 PolarHBondContact O-OG1 3.46Å; S73-T76 PolarHBondContact O-N 3.14Å; T76-V78 VanDerWaalsContact C-N 3.26Å; T76-V78 PolarHBondContact O-N 3.2Å; T76-V78 WeakPolarHBondContact OG1-CG1 3.32Å; T76-V78 VanDerWaalsContact OG1-CG2 3.28Å; T76-V78 WeakPolarHBondContact OG1-CG2 3.43Å; T76-V78 PolarHBondContact OG1-N 2.98Å
77G96Very high95.7Very high64 Ų6455.5 Ų55.566%0.6634%0.337SS*.  trans72.815-174.100000114.4S73S73-G77 WeakPolarHBondContact O-CA 3.42Å; S73-G77 PolarHBondContact O-N 3.38Å
78V96.8Very high95.9Very high19 Ų1955.2 Ų55.212%0.11534%0.338CS..  trans-68.9151.4175.3-62.20000112L28 T48 L50 T76L28-V78 HydrophobicContact CD1-CG1 3.99Å; T48-V78 VanDerWaalsContact OG1-CA 3.26Å; T48-V78 WeakPolarHBondContact OG1-CA 3.48Å; T48-V78 WeakPolarHBondContact OG1-CB 3.38Å; L50-V78 HydrophobicContact CB-CB 4.39Å; L50-V78 HydrophobicContact CB-CG1 4.25Å; L50-V78 HydrophobicContact CB-CG2 3.76Å; L50-V78 HydrophobicContact CD2-CG2 4.25Å; T76-V78 VanDerWaalsContact C-N 3.26Å; T76-V78 PolarHBondContact O-N 3.2Å; T76-V78 WeakPolarHBondContact OG1-CG1 3.32Å; T76-V78 VanDerWaalsContact OG1-CG2 3.28Å; T76-V78 WeakPolarHBondContact OG1-CG2 3.43Å; T76-V78 PolarHBondContact OG1-N 2.98Å
79D95.9Very high96Very high97 Ų9758.9 Ų58.952%0.51935%0.348SS..SBendtrans-67.9-39.1-178.1-53.6-68.6000111.6S47 T48S47-D79 WeakPolarHBondContact CA-OD2 3.18Å; T48-D79 PolarHBondContact N-OD2 2.94Å; T48-D79 PolarHBondContact OG1-N 3.41Å; T48-D79 PolarHBondContact OG1-OD2 3.39Å
80N97.2Very high96Very high61 Ų6157.7 Ų57.733%0.32634%0.34SS..EExtended strand (participates in β ladder)trans-138.2128.2-175.5-52.5-92000112.4T48 H49 L50 H82T48-N80 PolarHBondContact O-N 3.27Å; T48-N80 PolarHBondContact O-ND2 3.09Å; H49-N80 CarbonylContact C-O 3.59Å; H49-N80 WeakPolarHBondContact CA-O 3.45Å; H49-N80 PolarHBondContact CE1-ND2 3.07Å; L50-N80 PolarHBondContact N-O 2.86Å; N80-H82 WeakPolarHBondContact CB-NE2 3.35Å
81S97.6Very high95.9Very high19 Ų1954 Ų5413%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-111.8134.8171.9-68.50000111.5L50 L69 S73L50-S81 CarbonylContact O-C 3.57Å; L50-S81 VanDerWaalsContact O-CA 3.31Å; L50-S81 WeakPolarHBondContact O-CA 3.42Å; L69-S81 WeakPolarHBondContact O-CB 3.43Å; S73-S81 PolarHBondContact N-OG 2.58Å; S73-S81 VanDerWaalsContact OG-CB 3.3Å; S73-S81 WeakPolarHBondContact OG-CB 3.46Å; S73-S81 PolarHBondContact OG-OG 3.46Å
82H97.6Very high95.7Very high38 Ų3852.5 Ų52.518%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-132.2150.4-173.6-55.8-83.8000111.2H49 L50 F51 V52 L69 N80H49-H82 AromaticContact ND1-CD2 3.93Å; H49-H82 AromaticContact ND1-NE2 3.16Å; H49-H82 PolarHBondContact ND1-NE2 2.86Å; H49-H82 VanDerWaalsContact ND1-NE2 3.16Å; L50-H82 PolarHBondContact O-N 3.19Å; F51-H82 VanDerWaalsContact CA-O 3.3Å; F51-H82 WeakPolarHBondContact CA-O 3.24Å; F51-H82 HydrophobicContact CD1-CB 3.52Å; F51-H82 HydrophobicContact CE1-CB 3.53Å; F51-H82 AromaticContact CE1-CG 3.85Å; F51-H82 HydrophobicContact CG-CB 4.23Å; F51-H82 HydrophobicContact CZ-CB 4.27Å; V52-H82 PolarHBondContact N-O 3.29Å; L69-H82 VanDerWaalsContact CD2-C 3.47Å; N80-H82 WeakPolarHBondContact CB-NE2 3.35Å
83P96.7Very high95.5Very high23 Ų2358.3 Ų58.315%0.14934%0.336CS..EExtended strand (participates in β ladder)trans-62.4140.3165-17.931000110.9V52 T54 L69 S85 E86V52-P83 CarbonylContact O-C 3.44Å; T54-P83 HydrophobicContact CG2-CB 4.22Å; L69-P83 HydrophobicContact CD1-CG 4.03Å; L69-P83 HydrophobicContact CD2-CG 4.46Å; P83-S85 PolarHBondContact O-N 2.97Å; P83-S85 VanDerWaalsContact O-N 3.07Å; P83-E86 HydrophobicContact CB-CG 4.32Å; P83-E86 HydrophobicContact CG-CG 4.32Å; P83-E86 WeakPolarHBondContact O-CB 3.4Å; P83-E86 PolarHBondContact O-N 3.04Å
84L95.9Very high95.1Very high35 Ų3558.7 Ų58.718%0.18333%0.333CS..G310 helixtrans-55.1-31.1178.1-177.764.1000113.3N25 I27 F51 V52 E86 F87 F121N25-L84 HydrophobicContact CB-CD2 3.97Å; I27-L84 HydrophobicContact CD1-CD1 3.53Å; I27-L84 HydrophobicContact CG1-CD1 3.95Å; F51-L84 HydrophobicContact CB-CD1 4.15Å; V52-L84 WeakPolarHBondContact O-CB 3.31Å; V52-L84 PolarHBondContact O-N 3.06Å; L84-E86 PolarHBondContact O-N 3.43Å; L84-F87 WeakPolarHBondContact O-CB 3.34Å; L84-F87 PolarHBondContact O-N 3.26Å; L84-F121 HydrophobicContact CD1-CE1 4.32Å
85S94.9Very high94.6Very high95 Ų9551.9 Ų51.966%0.66430%0.299SS*.G310 helixtrans-60.6-21.3175.751.20000114P83P83-S85 PolarHBondContact O-N 2.97Å; P83-S85 VanDerWaalsContact O-N 3.07Å
86E96.9Very high94.1Very high82 Ų8255.5 Ų55.538%0.38331%0.308SS..G310 helixtrans-88.9-9-178.7-60.1-168.7164.700113.2P83 L84 S88 K89 F90P83-E86 HydrophobicContact CB-CG 4.32Å; P83-E86 HydrophobicContact CG-CG 4.32Å; P83-E86 WeakPolarHBondContact O-CB 3.4Å; P83-E86 PolarHBondContact O-N 3.04Å; L84-E86 PolarHBondContact O-N 3.43Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 2.87Å; E86-K89 PolarHBondContact O-N 3.45Å; E86-F90 PolarHBondContact O-N 3.07Å
87F96.8Very high93.5Very high0 Ų057.7 Ų57.70%032%0.324CS..Hα-helixtrans-55.6-39.9-178.1-179.2-116.1000113.3I27 L29 F51 L84 F90 L91 F121 K125I27-F87 HydrophobicContact CD1-CB 4.35Å; I27-F87 HydrophobicContact CD1-CD1 3.59Å; I27-F87 HydrophobicContact CD1-CD2 3.85Å; I27-F87 HydrophobicContact CD1-CE1 3.72Å; I27-F87 HydrophobicContact CD1-CE2 3.97Å; I27-F87 HydrophobicContact CD1-CG 3.66Å; I27-F87 HydrophobicContact CD1-CZ 3.91Å; I27-F87 HydrophobicContact CG2-CD2 4.41Å; I27-F87 HydrophobicContact CG2-CE2 3.87Å; I27-F87 HydrophobicContact CG2-CZ 4.21Å; L29-F87 HydrophobicContact CD1-CE2 3.97Å; L29-F87 HydrophobicContact CD2-CE2 4.27Å; L29-F87 HydrophobicContact CG-CE2 4.41Å; F51-F87 HydrophobicContact CD1-CB 3.77Å; F51-F87 HydrophobicContact CD1-CD2 4.2Å; F51-F87 HydrophobicContact CD1-CG 4.5Å; F51-F87 AromaticContact CD2-CD2 3.84Å; F51-F87 HydrophobicContact CD2-CD2 3.84Å; F51-F87 HydrophobicContact CE1-CB 4.08Å; F51-F87 HydrophobicContact CE1-CD2 4.23Å; F51-F87 AromaticContact CE2-CD2 3.87Å; F51-F87 HydrophobicContact CE2-CD2 3.87Å; F51-F87 HydrophobicContact CE2-CE2 4.48Å; F51-F87 HydrophobicContact CG-CB 4.19Å; F51-F87 HydrophobicContact CG-CD2 4.03Å; F51-F87 HydrophobicContact CZ-CD2 4.08Å; L84-F87 WeakPolarHBondContact O-CB 3.34Å; L84-F87 PolarHBondContact O-N 3.26Å; F87-F90 PolarHBondContact O-N 2.87Å; F87-L91 HydrophobicContact CD1-CD1 4.31Å; F87-L91 HydrophobicContact CE1-CD1 3.71Å; F87-L91 HydrophobicContact CE1-CG 4.48Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.46Å; F87-L91 HydrophobicContact CE2-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 3.72Å; F87-L91 HydrophobicContact CZ-CD2 4.42Å; F87-L91 HydrophobicContact CZ-CG 4.18Å; F87-L91 PolarHBondContact O-N 3.17Å; F87-L91 VanDerWaalsContact O-N 3.12Å; F87-F121 AromaticContact CD1-CE1 3.91Å; F87-F121 HydrophobicContact CD1-CE1 3.91Å; F87-F121 HydrophobicContact CD1-CZ 4.49Å; F87-K125 HydrophobicContact CD1-CB 4.32Å; F87-K125 HydrophobicContact CD1-CG 4.27Å; F87-K125 HydrophobicContact CE1-CB 3.79Å; F87-K125 HydrophobicContact CE1-CG 4.19Å
88S94.6Very high92.6Very high32 Ų3255.9 Ų55.922%0.22430%0.301CS..Hα-helixtrans-65-44.5177.5-58.40000111.8E86 F90 L91 D92 K125E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 2.87Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.96Å; S88-L91 PolarHBondContact O-N 2.9Å; S88-D92 VanDerWaalsContact O-CG 3.27Å; S88-D92 PolarHBondContact O-N 2.9Å; S88-K125 VanDerWaalsContact OG-CD 3.27Å; S88-K125 WeakPolarHBondContact OG-CD 3.25Å; S88-K125 WeakPolarHBondContact OG-CE 3.37Å; S88-K125 PolarHBondContact OG-NZ 2.87Å
89K95Very high91.6Very high149 Ų14963 Ų6365%0.64833%0.333SS*.Hα-helixtrans-64.8-36.7178.9-64.8-179-179.3176.50111.5E86 D92 H93E86-K89 PolarHBondContact O-N 3.45Å; K89-D92 PolarHBondContact O-N 2.84Å; K89-H93 PolarHBondContact O-N 2.92Å
90F95.4Very high91Very high31 Ų3162 Ų6214%0.13633%0.333CS..Hα-helixtrans-59.6-48.8174.2-178.9-90.6000111L29 H49 F51 E86 F87 S88 H93 Q94L29-F90 HydrophobicContact CD1-CD1 3.84Å; L29-F90 HydrophobicContact CD1-CE1 3.46Å; L29-F90 VanDerWaalsContact CD1-CE1 3.46Å; L29-F90 HydrophobicContact CD1-CZ 4.27Å; H49-F90 AromaticContact CE1-CE2 3.7Å; H49-F90 AromaticContact ND1-CE2 3.5Å; H49-F90 AromaticContact ND1-CZ 3.99Å; F51-F90 HydrophobicContact CE1-CB 4.04Å; F51-F90 HydrophobicContact CE1-CG 4.42Å; F51-F90 HydrophobicContact CE2-CD1 4.47Å; F51-F90 HydrophobicContact CE2-CG 4.45Å; F51-F90 HydrophobicContact CZ-CB 3.69Å; F51-F90 HydrophobicContact CZ-CD1 4.01Å; F51-F90 AromaticContact CZ-CD2 3.94Å; F51-F90 HydrophobicContact CZ-CD2 3.94Å; F51-F90 AromaticContact CZ-CG 3.6Å; F51-F90 HydrophobicContact CZ-CG 3.6Å; E86-F90 PolarHBondContact O-N 3.07Å; F87-F90 PolarHBondContact O-N 2.87Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.96Å; F90-H93 PolarHBondContact O-N 3.35Å; F90-Q94 HydrophobicContact CD1-CG 4.14Å; F90-Q94 HydrophobicContact CE1-CG 3.77Å; F90-Q94 HydrophobicContact CZ-CG 4.15Å; F90-Q94 WeakPolarHBondContact O-CG 3.39Å; F90-Q94 PolarHBondContact O-N 3.18Å
91L93.5Very high90.6Very high13 Ų1361 Ų617%0.06833%0.328CS..Hα-helixtrans-62.4-43.8176.4-68.4179.2000112.2F87 S88 H93 Q94 A95 K125 I126 F129F87-L91 HydrophobicContact CD1-CD1 4.31Å; F87-L91 HydrophobicContact CE1-CD1 3.71Å; F87-L91 HydrophobicContact CE1-CG 4.48Å; F87-L91 HydrophobicContact CE2-CD1 4.32Å; F87-L91 HydrophobicContact CE2-CD2 4.46Å; F87-L91 HydrophobicContact CE2-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 3.72Å; F87-L91 HydrophobicContact CZ-CD2 4.42Å; F87-L91 HydrophobicContact CZ-CG 4.18Å; F87-L91 PolarHBondContact O-N 3.17Å; F87-L91 VanDerWaalsContact O-N 3.12Å; S88-L91 PolarHBondContact O-N 2.9Å; L91-H93 VanDerWaalsContact C-N 3.27Å; L91-H93 PolarHBondContact O-N 3.04Å; L91-Q94 PolarHBondContact O-N 3.09Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; L91-A95 PolarHBondContact O-N 2.8Å; L91-K125 HydrophobicContact CD1-CB 3.94Å; L91-I126 HydrophobicContact CD1-CD1 4.15Å; L91-I126 HydrophobicContact CD2-CD1 4.24Å; L91-F129 HydrophobicContact CB-CB 4.44Å; L91-F129 HydrophobicContact CB-CD2 3.81Å; L91-F129 HydrophobicContact CB-CE2 4.4Å; L91-F129 HydrophobicContact CB-CG 4.36Å; L91-F129 HydrophobicContact CD1-CB 4.34Å; L91-F129 HydrophobicContact CD2-CD2 4.3Å; L91-F129 HydrophobicContact CD2-CE2 4.48Å; L91-F129 HydrophobicContact CD2-CG 4.43Å; L91-F129 VanDerWaalsContact O-CD2 3.32Å; L91-F129 WeakPolarHBondContact O-CD2 3.48Å; L91-F129 WeakPolarHBondContact O-CE2 3.41Å
92D91Very high90.1Very high66 Ų6662.9 Ų62.935%0.35334%0.34SS..Hα-helixtrans-58.2-41.2177.1-65-33000111.1S88 K89 A95 L96 Q132S88-D92 VanDerWaalsContact O-CG 3.27Å; S88-D92 PolarHBondContact O-N 2.9Å; K89-D92 PolarHBondContact O-N 2.84Å; D92-A95 PolarHBondContact O-N 3.16Å; D92-L96 WeakPolarHBondContact O-CG 3.44Å; D92-L96 PolarHBondContact O-N 2.73Å; D92-Q132 PolarHBondContact OD1-NE2 2.92Å; D92-Q132 PolarHBondContact OD1-OE1 2.82Å
93H90.8Very high89.8Confident121 Ų12162.1 Ų62.156%0.5634%0.338SS*.Hα-helixtrans-63.2-45.7175.3-176.5-85000112K89 F90 L91 A95 L96 S97K89-H93 PolarHBondContact O-N 2.92Å; F90-H93 PolarHBondContact O-N 3.35Å; L91-H93 VanDerWaalsContact C-N 3.27Å; L91-H93 PolarHBondContact O-N 3.04Å; H93-A95 VanDerWaalsContact C-N 3.29Å; H93-A95 PolarHBondContact O-N 3.34Å; H93-L96 PolarHBondContact O-N 3.42Å; H93-S97 PolarHBondContact O-N 3.19Å; H93-S97 PolarHBondContact O-OG 2.69Å
94Q88.3Confident89.5Confident44 Ų4467.2 Ų67.221%0.20635%0.354CS..Hα-helixtrans-61.5-36.9177.3-66.1-59.6-24.400112.3F90 L91 L96 S97 T98 F129F90-Q94 HydrophobicContact CD1-CG 4.14Å; F90-Q94 HydrophobicContact CE1-CG 3.77Å; F90-Q94 HydrophobicContact CZ-CG 4.15Å; F90-Q94 WeakPolarHBondContact O-CG 3.39Å; F90-Q94 PolarHBondContact O-N 3.18Å; L91-Q94 PolarHBondContact O-N 3.09Å; L91-Q94 VanDerWaalsContact O-N 3.15Å; Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 3.25Å; Q94-S97 PolarHBondContact O-N 3.06Å; Q94-S97 PolarHBondContact O-OG 2.81Å; Q94-T98 WeakPolarHBondContact O-CB 3.43Å; Q94-T98 PolarHBondContact O-N 3.23Å; Q94-T98 VanDerWaalsContact O-N 3.15Å; Q94-T98 PolarHBondContact O-OG1 3.26Å; Q94-F129 HydrophobicContact CB-CE2 4.01Å; Q94-F129 HydrophobicContact CB-CZ 4.33Å
95A85.3Confident89.1Confident6 Ų667.8 Ų67.85%0.0535%0.354CS..Hα-helixtrans-65.8-33.5178.800000111.7L91 D92 H93 F129 Q132 I133 K136L91-A95 PolarHBondContact O-N 2.8Å; D92-A95 PolarHBondContact O-N 3.16Å; H93-A95 VanDerWaalsContact C-N 3.29Å; H93-A95 PolarHBondContact O-N 3.34Å; A95-F129 HydrophobicContact CB-CD2 3.85Å; A95-F129 HydrophobicContact CB-CE2 3.66Å; A95-Q132 HydrophobicContact CB-CB 4.29Å; A95-I133 HydrophobicContact CB-CD1 4.19Å; A95-I133 HydrophobicContact CB-CG1 3.91Å; A95-K136 PolarHBondContact O-NZ 2.7Å
96L84.4Confident88.4Confident143 Ų14364.6 Ų64.675%0.74933%0.332SS*.Hα-helixtrans-75.8-42.1176.8-67171.2000111.9D92 H93 Q94 K136D92-L96 WeakPolarHBondContact O-CG 3.44Å; D92-L96 PolarHBondContact O-N 2.73Å; H93-L96 PolarHBondContact O-N 3.42Å; Q94-L96 VanDerWaalsContact C-N 3.28Å; Q94-L96 PolarHBondContact O-N 3.25Å; L96-K136 PolarHBondContact O-NZ 2.79Å; L96-K136 VanDerWaalsContact O-NZ 3.17Å
97S82.9Confident87.4Confident73 Ų7362.2 Ų62.251%0.5132%0.324SS..Hα-helixtrans-82.7-23.6-170.861.40000115.7H93 Q94H93-S97 PolarHBondContact O-N 3.19Å; H93-S97 PolarHBondContact O-OG 2.69Å; Q94-S97 PolarHBondContact O-N 3.06Å; Q94-S97 PolarHBondContact O-OG 2.81Å
98T78Confident86Confident27 Ų2764.1 Ų64.117%0.16633%0.334CS..  trans-102.2139.5-173.1590000112Q94 K136Q94-T98 WeakPolarHBondContact O-CB 3.43Å; Q94-T98 PolarHBondContact O-N 3.23Å; Q94-T98 VanDerWaalsContact O-N 3.15Å; Q94-T98 PolarHBondContact O-OG1 3.26Å; T98-K136 WeakPolarHBondContact O-CD 3.25Å; T98-K136 WeakPolarHBondContact O-CE 3.18Å; T98-K136 PolarHBondContact O-NZ 3.43Å
99Q76Confident84.3Confident167 Ų16764.4 Ų64.478%0.7834%0.336SS*.SBendtrans-89.7-24.8176.6-167.9171.13.800112.9K136Q99-K136 WeakPolarHBondContact O-CB 3.29Å; Q99-K136 WeakPolarHBondContact O-CG 3.48Å
100S82.8Confident82.5Confident77 Ų7759.9 Ų59.954%0.53832%0.323SS..EExtended strand (participates in β ladder)trans-146.1141.3172.352.90000108.8R137S100-R137 CarbonylContact C-O 3.56Å; S100-R137 VanDerWaalsContact CA-O 3.23Å; S100-R137 WeakPolarHBondContact CA-O 3.1Å
101I87.4Confident80.6Confident40 Ų4068.4 Ų68.421%0.20536%0.36CS..EExtended strand (participates in β ladder)trans-136.5137.1177.9-164.1172.3000111.1V103 F129 I133 R137 I138 S139I101-V103 HydrophobicContact CD1-CG2 4.34Å; I101-V103 HydrophobicContact CG1-CG2 4.31Å; I101-V103 HydrophobicContact CG2-CG2 4.4Å; I101-F129 HydrophobicContact CD1-CE1 3.87Å; I101-F129 HydrophobicContact CD1-CZ 3.53Å; I101-F129 HydrophobicContact CG2-CE1 4.01Å; I101-F129 HydrophobicContact CG2-CZ 4.19Å; I101-I133 HydrophobicContact CG2-CD1 3.67Å; I101-R137 PolarHBondContact N-O 2.68Å; I101-I138 HydrophobicContact CG2-CB 4.26Å; I101-I138 HydrophobicContact CG2-CD1 3.92Å; I101-I138 HydrophobicContact CG2-CG1 3.87Å; I101-I138 WeakPolarHBondContact O-CA 3.38Å; I101-S139 PolarHBondContact O-N 3.44Å; I101-S139 VanDerWaalsContact O-N 3.11Å
102C88.5Confident78.7Confident59 Ų5974 Ų7440%0.39939%0.39SS..EExtended strand (participates in β ladder)trans-108.6119.6169.9-179.60000108.7S139 E141C102-S139 WeakPolarHBondContact CB-OG 3.47Å; C102-S139 PolarHBondContact SG-OG 3.45Å; C102-E141 VanDerWaalsContact SG-CG 3.59Å
103V89.9Confident76.9Confident21 Ų2176.5 Ų76.513%0.12740%0.398CS..EExtended strand (participates in β ladder)trans-105.3116-178.5-179.60000109.7I101 Y105 I126 F129 I138 S139 F140 E141I101-V103 HydrophobicContact CD1-CG2 4.34Å; I101-V103 HydrophobicContact CG1-CG2 4.31Å; I101-V103 HydrophobicContact CG2-CG2 4.4Å; V103-Y105 PolarHBondContact O-N 2.84Å; V103-I126 HydrophobicContact CG1-CG2 4.21Å; V103-F129 HydrophobicContact CG2-CE1 4.11Å; V103-I138 HydrophobicContact CG2-CD1 4.27Å; V103-S139 PolarHBondContact N-O 3.14Å; V103-F140 HydrophobicContact CB-CD1 3.87Å; V103-F140 HydrophobicContact CB-CE1 3.95Å; V103-F140 HydrophobicContact CG1-CD1 4.26Å; V103-F140 HydrophobicContact CG1-CE1 4.29Å; V103-F140 HydrophobicContact CG2-CE1 4.36Å; V103-F140 VanDerWaalsContact O-CA 3.31Å; V103-F140 WeakPolarHBondContact O-CA 3.46Å; V103-E141 PolarHBondContact O-N 3.48Å
104W91.1Very high75.1Confident130 Ų13077 Ų7749%0.49241%0.409SS..EExtended strand (participates in β ladder)trans-88.5102.2174.1-69.968.8000109.5E141 P143 L146W104-E141 CarbonylContact C-O 3.6Å; W104-E141 WeakPolarHBondContact CA-O 3.49Å; W104-E141 HydrophobicContact CD2-CB 3.55Å; W104-E141 HydrophobicContact CD2-CG 4.37Å; W104-E141 HydrophobicContact CE3-CB 3.76Å; W104-E141 HydrophobicContact CG-CB 3.97Å; W104-E141 HydrophobicContact CH2-CB 4.29Å; W104-E141 HydrophobicContact CZ2-CB 4.09Å; W104-E141 HydrophobicContact CZ2-CG 4.16Å; W104-E141 HydrophobicContact CZ3-CB 4.13Å; W104-P143 HydrophobicContact CB-CB 4.28Å; W104-P143 HydrophobicContact CB-CG 4.34Å; W104-P143 HydrophobicContact CE3-CB 3.92Å; W104-L146 HydrophobicContact CE3-CD1 4.23Å; W104-L146 HydrophobicContact CH2-CD1 3.7Å; W104-L146 HydrophobicContact CZ3-CD1 3.39Å; W104-L146 HydrophobicContact CZ3-CG 4.3Å
105Y88.2Confident73.4Confident47 Ų4783.5 Ų83.518%0.18444%0.44CS..  trans-153.9111.6-178.9-171.4-125.8000111.5V103 P107 L108 S109 V122 L123 E141V103-Y105 PolarHBondContact O-N 2.84Å; Y105-P107 HydrophobicContact CD1-CB 4.29Å; Y105-P107 HydrophobicContact CD1-CG 4.19Å; Y105-P107 HydrophobicContact CE1-CB 3.86Å; Y105-P107 HydrophobicContact CE1-CG 3.64Å; Y105-P107 HydrophobicContact CE2-CG 4.07Å; Y105-L108 HydrophobicContact CD1-CD1 4.1Å; Y105-L108 HydrophobicContact CD1-CG 4.18Å; Y105-L108 PolarHBondContact O-N 3.33Å; Y105-L108 VanDerWaalsContact O-N 3.16Å; Y105-S109 PolarHBondContact O-OG 2.79Å; Y105-V122 HydrophobicContact CE1-CG1 4.18Å; Y105-V122 HydrophobicContact CE2-CG1 4.01Å; Y105-L123 HydrophobicContact CE1-CB 4.42Å; Y105-L123 HydrophobicContact CE1-CD1 4.27Å; Y105-E141 PolarHBondContact N-O 3.46Å
106S80.5Confident71.8Confident28 Ų2893.3 Ų93.320%0.19648%0.476CS..G310 helixtrans-51.3-44.5-172.5171.50000115.3L108 S109 S110 N142 D144S106-L108 PolarHBondContact O-N 3.47Å; S106-S109 WeakPolarHBondContact CA-OG 3.48Å; S106-S109 PolarHBondContact O-N 2.97Å; S106-S109 PolarHBondContact O-OG 3.29Å; S106-S110 PolarHBondContact O-N 3.33Å; S106-N142 WeakPolarHBondContact CB-OD1 3.35Å; S106-D144 VanDerWaalsContact CB-OD1 3.3Å; S106-D144 WeakPolarHBondContact CB-OD1 3.49Å; S106-D144 WeakPolarHBondContact CB-OD2 3.22Å; S106-D144 PolarHBondContact OG-OD2 3.04Å
107P75.5Confident70.5Confident33 Ų3388.2 Ų88.221%0.21445%0.451CS..G310 helixtrans-59.7-20.7-178.1-29.638.6000115.5Y105 F113 P117 L123Y105-P107 HydrophobicContact CD1-CB 4.29Å; Y105-P107 HydrophobicContact CD1-CG 4.19Å; Y105-P107 HydrophobicContact CE1-CB 3.86Å; Y105-P107 HydrophobicContact CE1-CG 3.64Å; Y105-P107 HydrophobicContact CE2-CG 4.07Å; P107-F113 VanDerWaalsContact O-CE2 3.28Å; P107-F113 WeakPolarHBondContact O-CE2 3.28Å; P107-P117 HydrophobicContact CB-CB 4.47Å; P107-L123 HydrophobicContact CB-CD1 4.38Å
108L67Low69.7Low39 Ų3992.4 Ų92.420%0.20447%0.467CS..G310 helixtrans-96.1-8.3179.7-69.6173.9000113.7Y105 S106 F113 L123 I126 V127 F140Y105-L108 HydrophobicContact CD1-CD1 4.1Å; Y105-L108 HydrophobicContact CD1-CG 4.18Å; Y105-L108 PolarHBondContact O-N 3.33Å; Y105-L108 VanDerWaalsContact O-N 3.16Å; S106-L108 PolarHBondContact O-N 3.47Å; L108-F113 HydrophobicContact CD2-CE2 3.98Å; L108-F113 HydrophobicContact CD2-CZ 4.06Å; L108-L123 HydrophobicContact CD1-CD1 4.27Å; L108-L123 HydrophobicContact CD2-CD1 3.43Å; L108-L123 VanDerWaalsContact CD2-CD1 3.43Å; L108-L123 HydrophobicContact CG-CD1 3.72Å; L108-I126 HydrophobicContact CD1-CB 4.23Å; L108-I126 HydrophobicContact CD1-CG2 3.42Å; L108-I126 VanDerWaalsContact CD1-CG2 3.42Å; L108-V127 HydrophobicContact CD2-CG2 4.3Å; L108-F140 HydrophobicContact CB-CB 4.33Å; L108-F140 HydrophobicContact CB-CD1 4.03Å; L108-F140 HydrophobicContact CB-CG 4.19Å; L108-F140 HydrophobicContact CD1-CD1 3.57Å; L108-F140 HydrophobicContact CD1-CE1 3.41Å; L108-F140 VanDerWaalsContact CD1-CE1 3.41Å; L108-F140 HydrophobicContact CD1-CG 4.38Å; L108-F140 HydrophobicContact CD1-CZ 4.1Å; L108-F140 HydrophobicContact CG-CD1 4.44Å
109S59Low69.9Low39 Ų3994.1 Ų94.127%0.27348%0.475SS..THydrogen-bonded Turntrans-110.9-14.6-175.949.20000113.8Y105 S106 N142Y105-S109 PolarHBondContact O-OG 2.79Å; S106-S109 WeakPolarHBondContact CA-OG 3.48Å; S106-S109 PolarHBondContact O-N 2.97Å; S106-S109 PolarHBondContact O-OG 3.29Å; S109-N142 VanDerWaalsContact OG-CA 3.26Å; S109-N142 WeakPolarHBondContact OG-CA 3.3Å; S109-N142 WeakPolarHBondContact OG-CB 3.46Å; S109-N142 VanDerWaalsContact OG-CG 3.31Å
110S58.2Low70.3Confident54 Ų5493.5 Ų93.538%0.37847%0.47SS..  trans-75.2126.4172.5-1780000111.7S106 N112S106-S110 PolarHBondContact O-N 3.33Å; S110-N112 PolarHBondContact O-N 2.96Å; S110-N112 VanDerWaalsContact O-N 3.13Å; S110-N112 PolarHBondContact OG-N 2.8Å
111K54.9Low70.6Confident210 Ų21094.3 Ų94.391%0.91346%0.463SS*.SBendtrans-60.7-18.3172.2-71-175.8178.4178.80113F113K111-F113 PolarHBondContact O-N 2.8Å
112N54Low70.7Confident129 Ų12992.9 Ų92.969%0.6946%0.457SS*.  trans-10263.3-179.1-66.5-20.6000111S110 V114S110-N112 PolarHBondContact O-N 2.96Å; S110-N112 VanDerWaalsContact O-N 3.13Å; S110-N112 PolarHBondContact OG-N 2.8Å; N112-V114 PolarHBondContact O-N 3.39Å
113F52.9Low70.7Confident119 Ų11991 Ų9152%0.52244%0.443SS..THydrogen-bonded Turntrans-56.1-0.3178.1-141.4-94.1000115P107 L108 K111 L123P107-F113 VanDerWaalsContact O-CE2 3.28Å; P107-F113 WeakPolarHBondContact O-CE2 3.28Å; L108-F113 HydrophobicContact CD2-CE2 3.98Å; L108-F113 HydrophobicContact CD2-CZ 4.06Å; K111-F113 PolarHBondContact O-N 2.8Å; F113-L123 HydrophobicContact CE1-CD2 4.41Å; F113-L123 HydrophobicContact CZ-CD1 4.45Å; F113-L123 HydrophobicContact CZ-CD2 4.33Å
114V52.8Low70.7Confident132 Ų13296.1 Ų96.180%0.846%0.463SS*.THydrogen-bonded Turntrans-92.3-17.4-160.1-172.10000113N112 R116N112-V114 PolarHBondContact O-N 3.39Å; V114-R116 PolarHBondContact O-N 2.69Å
115E51.6Low70.7Confident181 Ų18192 Ų9285%0.84645%0.448SS*.SBendtrans-102.582.9178.5-66.3-171178.200110.8
116R53.2Low70.7Confident212 Ų21290.2 Ų90.280%0.844%0.442SS*.  trans28.8106.3167-65.3-179.1179.6-170.61.3115V114 L118V114-R116 PolarHBondContact O-N 2.69Å; R116-L118 PolarHBondContact O-N 3.02Å
117P56.5Low71Confident35 Ų3590.9 Ų90.923%0.22745%0.445CS..  trans-56.6123.1171.725.8-34.4000109.2P107 N119 K120 L123P107-P117 HydrophobicContact CB-CB 4.47Å; P117-N119 PolarHBondContact O-N 3.25Å; P117-N119 VanDerWaalsContact O-N 3.09Å; P117-K120 HydrophobicContact CG-CG 4.17Å; P117-L123 HydrophobicContact CB-CB 4.44Å; P117-L123 HydrophobicContact CB-CD2 3.65Å; P117-L123 HydrophobicContact CG-CD2 3.53Å
118L66.1Low71.6Confident162 Ų16292.3 Ų92.385%0.84845%0.449SS*.SBendtrans-55-33.2-176.2-133.983.1000110.8R116R116-L118 PolarHBondContact O-N 3.02Å
119N81.5Confident72.6Confident62 Ų6290.7 Ų90.733%0.33244%0.44SS..  trans-123.588178.1-163.2-40.2000112.2P117 F121 V122 L123P117-N119 PolarHBondContact O-N 3.25Å; P117-N119 VanDerWaalsContact O-N 3.09Å; N119-F121 PolarHBondContact O-N 2.88Å; N119-F121 PolarHBondContact OD1-N 3.35Å; N119-V122 HydrophobicContact CB-CB 4.34Å; N119-V122 HydrophobicContact CB-CG2 4.41Å; N119-V122 PolarHBondContact O-N 2.94Å; N119-V122 WeakPolarHBondContact OD1-CG2 3.46Å; N119-V122 PolarHBondContact OD1-N 3.45Å; N119-L123 PolarHBondContact O-N 2.78Å; N119-L123 VanDerWaalsContact O-N 3.14Å
120K84.2Confident73.8Confident155 Ų15590 Ų9067%0.67444%0.435SS*.Hα-helixtrans-59.6-30.9177.3-68-180-179.6-179.80113.4P117 K124P117-K120 HydrophobicContact CG-CG 4.17Å; K120-K124 VanDerWaalsContact O-CB 3.29Å; K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.44Å; K120-K124 VanDerWaalsContact O-N 3.07Å
121F89.9Confident75.1Confident93 Ų9395.3 Ų95.341%0.40845%0.447SS..Hα-helixtrans-67.9-52.4-179.4173.2-96.3000110.9I27 L84 F87 N119 K124 K125I27-F121 HydrophobicContact CD1-CD1 4.45Å; I27-F121 HydrophobicContact CD1-CE1 4.16Å; L84-F121 HydrophobicContact CD1-CE1 4.32Å; F87-F121 AromaticContact CD1-CE1 3.91Å; F87-F121 HydrophobicContact CD1-CE1 3.91Å; F87-F121 HydrophobicContact CD1-CZ 4.49Å; N119-F121 PolarHBondContact O-N 2.88Å; N119-F121 PolarHBondContact OD1-N 3.35Å; F121-K124 PolarHBondContact O-N 3.37Å; F121-K125 HydrophobicContact CE1-CG 4.32Å; F121-K125 HydrophobicContact CE2-CG 4.42Å; F121-K125 HydrophobicContact CZ-CG 4.21Å; F121-K125 WeakPolarHBondContact O-CG 3.32Å; F121-K125 PolarHBondContact O-N 3.21Å; F121-K125 VanDerWaalsContact O-N 3.07Å
122V89.8Confident76.4Confident11 Ų1190.3 Ų90.37%0.06743%0.427CS..Hα-helixtrans-62.5-46.6178.8176.20000110.6I27 Y105 N119 K124 K125 I126I27-V122 HydrophobicContact CD1-CG2 3.63Å; I27-V122 HydrophobicContact CG1-CG2 3.86Å; Y105-V122 HydrophobicContact CE1-CG1 4.18Å; Y105-V122 HydrophobicContact CE2-CG1 4.01Å; N119-V122 HydrophobicContact CB-CB 4.34Å; N119-V122 HydrophobicContact CB-CG2 4.41Å; N119-V122 PolarHBondContact O-N 2.94Å; N119-V122 WeakPolarHBondContact OD1-CG2 3.46Å; N119-V122 PolarHBondContact OD1-N 3.45Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 2.72Å; V122-K125 PolarHBondContact O-N 3.25Å; V122-I126 HydrophobicContact CG1-CG1 4.14Å; V122-I126 WeakPolarHBondContact O-CG1 3.31Å; V122-I126 PolarHBondContact O-N 2.77Å
123L88.1Confident77.6Confident19 Ų1984.2 Ų84.210%0.09939%0.394CS..Hα-helixtrans-56-48177.7178.865.6000111.9Y105 P107 L108 F113 P117 N119 K125 I126 V127Y105-L123 HydrophobicContact CE1-CB 4.42Å; Y105-L123 HydrophobicContact CE1-CD1 4.27Å; P107-L123 HydrophobicContact CB-CD1 4.38Å; L108-L123 HydrophobicContact CD1-CD1 4.27Å; L108-L123 HydrophobicContact CD2-CD1 3.43Å; L108-L123 VanDerWaalsContact CD2-CD1 3.43Å; L108-L123 HydrophobicContact CG-CD1 3.72Å; F113-L123 HydrophobicContact CE1-CD2 4.41Å; F113-L123 HydrophobicContact CZ-CD1 4.45Å; F113-L123 HydrophobicContact CZ-CD2 4.33Å; P117-L123 HydrophobicContact CB-CB 4.44Å; P117-L123 HydrophobicContact CB-CD2 3.65Å; P117-L123 HydrophobicContact CG-CD2 3.53Å; N119-L123 PolarHBondContact O-N 2.78Å; N119-L123 VanDerWaalsContact O-N 3.14Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.5Å; L123-I126 PolarHBondContact O-N 3.45Å; L123-V127 HydrophobicContact CD1-CG2 4.23Å; L123-V127 HydrophobicContact CG-CG2 4.49Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 2.72Å
124K89.7Confident78Confident128 Ų12884.9 Ų84.956%0.55740%0.403SS*.Hα-helixtrans-56.4-44.4177.4177177.8171.81790110.9K120 F121 V122 V127 E128K120-K124 VanDerWaalsContact O-CB 3.29Å; K120-K124 WeakPolarHBondContact O-CB 3.3Å; K120-K124 PolarHBondContact O-N 3.44Å; K120-K124 VanDerWaalsContact O-N 3.07Å; F121-K124 PolarHBondContact O-N 3.37Å; V122-K124 VanDerWaalsContact C-N 3.33Å; V122-K124 PolarHBondContact O-N 2.72Å; K124-V127 PolarHBondContact O-N 3.05Å; K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 IonicContact NZ-OE1 3.91Å; K124-E128 WeakPolarHBondContact O-CG 3.35Å; K124-E128 PolarHBondContact O-N 2.89Å
125K91.5Very high78.6Confident43 Ų4387 Ų8719%0.18741%0.41CS..Hα-helixtrans-66.6-41-179.2-70.2-70.9162.4-159.90113.3F87 S88 L91 F121 V122 L123 E128 F129F87-K125 HydrophobicContact CD1-CB 4.32Å; F87-K125 HydrophobicContact CD1-CG 4.27Å; F87-K125 HydrophobicContact CE1-CB 3.79Å; F87-K125 HydrophobicContact CE1-CG 4.19Å; S88-K125 VanDerWaalsContact OG-CD 3.27Å; S88-K125 WeakPolarHBondContact OG-CD 3.25Å; S88-K125 WeakPolarHBondContact OG-CE 3.37Å; S88-K125 PolarHBondContact OG-NZ 2.87Å; L91-K125 HydrophobicContact CD1-CB 3.94Å; F121-K125 HydrophobicContact CE1-CG 4.32Å; F121-K125 HydrophobicContact CE2-CG 4.42Å; F121-K125 HydrophobicContact CZ-CG 4.21Å; F121-K125 WeakPolarHBondContact O-CG 3.32Å; F121-K125 PolarHBondContact O-N 3.21Å; F121-K125 VanDerWaalsContact O-N 3.07Å; V122-K125 PolarHBondContact O-N 3.25Å; L123-K125 VanDerWaalsContact C-N 3.26Å; L123-K125 PolarHBondContact O-N 3.5Å; K125-E128 IonicContact NZ-OE2 3.28Å; K125-E128 PolarHBondContact NZ-OE2 2.77Å; K125-E128 PolarHBondContact O-N 3.19Å; K125-F129 VanDerWaalsContact O-CB 3.28Å; K125-F129 WeakPolarHBondContact O-CB 3.46Å; K125-F129 PolarHBondContact O-N 3.17Å
126I88.4Confident79.4Confident10 Ų1081.6 Ų81.65%0.05138%0.384CS..Hα-helixtrans-67.6-35.7176-61.4-60.3000111.7L91 V103 L108 V122 L123 F129 S130 F140L91-I126 HydrophobicContact CD1-CD1 4.15Å; L91-I126 HydrophobicContact CD2-CD1 4.24Å; V103-I126 HydrophobicContact CG1-CG2 4.21Å; L108-I126 HydrophobicContact CD1-CB 4.23Å; L108-I126 HydrophobicContact CD1-CG2 3.42Å; L108-I126 VanDerWaalsContact CD1-CG2 3.42Å; V122-I126 HydrophobicContact CG1-CG1 4.14Å; V122-I126 WeakPolarHBondContact O-CG1 3.31Å; V122-I126 PolarHBondContact O-N 2.77Å; L123-I126 PolarHBondContact O-N 3.45Å; I126-F129 PolarHBondContact O-N 3.47Å; I126-S130 WeakPolarHBondContact O-CB 3.43Å; I126-S130 PolarHBondContact O-N 3.22Å; I126-F140 HydrophobicContact CG2-CE1 3.74Å; I126-F140 HydrophobicContact CG2-CZ 4.48Å
127V86Confident80.5Confident42 Ų4281.5 Ų81.526%0.25538%0.384SS..Hα-helixtrans-69.4-36.6173.9172.50000112.1L108 L123 K124 S130 R131L108-V127 HydrophobicContact CD2-CG2 4.3Å; L123-V127 HydrophobicContact CD1-CG2 4.23Å; L123-V127 HydrophobicContact CG-CG2 4.49Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 2.72Å; K124-V127 PolarHBondContact O-N 3.05Å; V127-S130 PolarHBondContact O-OG 2.97Å; V127-R131 WeakPolarHBondContact O-CG 3.28Å; V127-R131 PolarHBondContact O-N 3.34Å
128E88.6Confident81.8Confident64 Ų6482.3 Ų82.330%0.29939%0.385SS..Hα-helixtrans-64.4-47.4172.5-75.2170177.300110.7K124 K125 S130 R131 Q132K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 IonicContact NZ-OE1 3.91Å; K124-E128 WeakPolarHBondContact O-CG 3.35Å; K124-E128 PolarHBondContact O-N 2.89Å; K125-E128 IonicContact NZ-OE2 3.28Å; K125-E128 PolarHBondContact NZ-OE2 2.77Å; K125-E128 PolarHBondContact O-N 3.19Å; E128-S130 PolarHBondContact O-N 2.85Å; E128-R131 PolarHBondContact O-N 3.38Å; E128-Q132 PolarHBondContact O-N 3Å
129F87.7Confident82.8Confident5 Ų577 Ų772%0.02236%0.362CS..Hα-helixtrans-57-45.3175.9171.6-105.3000112.5L91 Q94 A95 I101 V103 K125 I126 R131 Q132 I133 I138L91-F129 HydrophobicContact CB-CB 4.44Å; L91-F129 HydrophobicContact CB-CD2 3.81Å; L91-F129 HydrophobicContact CB-CE2 4.4Å; L91-F129 HydrophobicContact CB-CG 4.36Å; L91-F129 HydrophobicContact CD1-CB 4.34Å; L91-F129 HydrophobicContact CD2-CD2 4.3Å; L91-F129 HydrophobicContact CD2-CE2 4.48Å; L91-F129 HydrophobicContact CD2-CG 4.43Å; L91-F129 VanDerWaalsContact O-CD2 3.32Å; L91-F129 WeakPolarHBondContact O-CD2 3.48Å; L91-F129 WeakPolarHBondContact O-CE2 3.41Å; Q94-F129 HydrophobicContact CB-CE2 4.01Å; Q94-F129 HydrophobicContact CB-CZ 4.33Å; A95-F129 HydrophobicContact CB-CD2 3.85Å; A95-F129 HydrophobicContact CB-CE2 3.66Å; I101-F129 HydrophobicContact CD1-CE1 3.87Å; I101-F129 HydrophobicContact CD1-CZ 3.53Å; I101-F129 HydrophobicContact CG2-CE1 4.01Å; I101-F129 HydrophobicContact CG2-CZ 4.19Å; V103-F129 HydrophobicContact CG2-CE1 4.11Å; K125-F129 VanDerWaalsContact O-CB 3.28Å; K125-F129 WeakPolarHBondContact O-CB 3.46Å; K125-F129 PolarHBondContact O-N 3.17Å; I126-F129 PolarHBondContact O-N 3.47Å; F129-R131 VanDerWaalsContact C-N 3.28Å; F129-R131 PolarHBondContact O-N 2.79Å; F129-Q132 WeakPolarHBondContact O-CB 3.17Å; F129-Q132 PolarHBondContact O-N 3.47Å; F129-Q132 VanDerWaalsContact O-N 3.13Å; F129-I133 HydrophobicContact CD1-CD1 4.01Å; F129-I133 HydrophobicContact CD2-CD1 4.15Å; F129-I133 HydrophobicContact CE1-CD1 3.44Å; F129-I133 VanDerWaalsContact CE1-CD1 3.44Å; F129-I133 HydrophobicContact CE2-CD1 3.62Å; F129-I133 HydrophobicContact CG-CD1 4.34Å; F129-I133 HydrophobicContact CZ-CD1 3.23Å; F129-I133 WeakPolarHBondContact O-CG1 3.42Å; F129-I133 PolarHBondContact O-N 3.19Å; F129-I138 HydrophobicContact CD1-CD1 4.35Å; F129-I138 HydrophobicContact CE1-CD1 4.22Å
130S84.3Confident83.1Confident23 Ų2377.1 Ų77.116%0.16136%0.36CS..Hα-helixtrans-63.4-32.7-17971.80000113.6I126 V127 E128 I133I126-S130 WeakPolarHBondContact O-CB 3.43Å; I126-S130 PolarHBondContact O-N 3.22Å; V127-S130 PolarHBondContact O-OG 2.97Å; E128-S130 PolarHBondContact O-N 2.85Å; S130-I133 PolarHBondContact O-N 3.21Å
131R84.6Confident83.3Confident167 Ų16773.9 Ų73.963%0.6335%0.347SS*.Hα-helixtrans-71.2-30.8176.2-68.9171.2-179.6170.20.5113V127 E128 F129 I133 N134V127-R131 WeakPolarHBondContact O-CG 3.28Å; V127-R131 PolarHBondContact O-N 3.34Å; E128-R131 PolarHBondContact O-N 3.38Å; F129-R131 VanDerWaalsContact C-N 3.28Å; F129-R131 PolarHBondContact O-N 2.79Å; R131-I133 PolarHBondContact O-N 2.9Å; R131-N134 WeakPolarHBondContact O-CB 3.38Å; R131-N134 PolarHBondContact O-N 3.4Å; R131-N134 PolarHBondContact O-ND2 2.95Å
132Q82.9Confident83.3Confident104 Ų10472 Ų7249%0.48634%0.341SS..Hα-helixtrans-69.9-22.1176-65.5177.42.700111.9D92 A95 E128 F129 N134D92-Q132 PolarHBondContact OD1-NE2 2.92Å; D92-Q132 PolarHBondContact OD1-OE1 2.82Å; A95-Q132 HydrophobicContact CB-CB 4.29Å; E128-Q132 PolarHBondContact O-N 3Å; F129-Q132 WeakPolarHBondContact O-CB 3.17Å; F129-Q132 PolarHBondContact O-N 3.47Å; F129-Q132 VanDerWaalsContact O-N 3.13Å; Q132-N134 VanDerWaalsContact C-N 3.3Å; Q132-N134 PolarHBondContact O-N 3.26Å
133I80.2Confident83.3Confident1 Ų172.7 Ų72.71%0.00535%0.345CS..THydrogen-bonded Turntrans-88.69.1-178.2-65.1-179000111.4A95 I101 F129 S130 R131 D135 K136 I138A95-I133 HydrophobicContact CB-CD1 4.19Å; A95-I133 HydrophobicContact CB-CG1 3.91Å; I101-I133 HydrophobicContact CG2-CD1 3.67Å; F129-I133 HydrophobicContact CD1-CD1 4.01Å; F129-I133 HydrophobicContact CD2-CD1 4.15Å; F129-I133 HydrophobicContact CE1-CD1 3.44Å; F129-I133 VanDerWaalsContact CE1-CD1 3.44Å; F129-I133 HydrophobicContact CE2-CD1 3.62Å; F129-I133 HydrophobicContact CG-CD1 4.34Å; F129-I133 HydrophobicContact CZ-CD1 3.23Å; F129-I133 WeakPolarHBondContact O-CG1 3.42Å; F129-I133 PolarHBondContact O-N 3.19Å; S130-I133 PolarHBondContact O-N 3.21Å; R131-I133 PolarHBondContact O-N 2.9Å; I133-D135 PolarHBondContact O-N 3.49Å; I133-K136 HydrophobicContact CB-CB 4.5Å; I133-K136 HydrophobicContact CG2-CB 3.44Å; I133-K136 VanDerWaalsContact CG2-CB 3.44Å; I133-K136 HydrophobicContact CG2-CD 4.34Å; I133-K136 WeakPolarHBondContact O-CA 3.47Å; I133-K136 VanDerWaalsContact O-CB 3.3Å; I133-K136 WeakPolarHBondContact O-CB 3.26Å; I133-K136 PolarHBondContact O-N 3.11Å; I133-I138 HydrophobicContact CD1-CD1 4.42Å; I133-I138 HydrophobicContact CG2-CB 4.12Å
134N61.5Low83.4Confident134 Ų13474 Ų7472%0.71735%0.353SS*.THydrogen-bonded Turntrans-52.4-17.6-169.1-91.7-6.1000118R131 Q132R131-N134 WeakPolarHBondContact O-CB 3.38Å; R131-N134 PolarHBondContact O-N 3.4Å; R131-N134 PolarHBondContact O-ND2 2.95Å; Q132-N134 VanDerWaalsContact C-N 3.3Å; Q132-N134 PolarHBondContact O-N 3.26Å
135D64.4Low83.4Confident177 Ų17777 Ų7795%0.94736%0.362SS*.THydrogen-bonded Turntrans-95.30.6172.3-69.7-27.1000114.2I133I133-D135 PolarHBondContact O-N 3.49Å
136K68.1Low83.5Confident67 Ų6778.8 Ų78.829%0.29137%0.373SS..SBendtrans-124.3154-168.5-70.9168.2173.9-168.80109.9A95 L96 T98 Q99 I133 I138A95-K136 PolarHBondContact O-NZ 2.7Å; L96-K136 PolarHBondContact O-NZ 2.79Å; L96-K136 VanDerWaalsContact O-NZ 3.17Å; T98-K136 WeakPolarHBondContact O-CD 3.25Å; T98-K136 WeakPolarHBondContact O-CE 3.18Å; T98-K136 PolarHBondContact O-NZ 3.43Å; Q99-K136 WeakPolarHBondContact O-CB 3.29Å; Q99-K136 WeakPolarHBondContact O-CG 3.48Å; I133-K136 HydrophobicContact CB-CB 4.5Å; I133-K136 HydrophobicContact CG2-CB 3.44Å; I133-K136 VanDerWaalsContact CG2-CB 3.44Å; I133-K136 HydrophobicContact CG2-CD 4.34Å; I133-K136 WeakPolarHBondContact O-CA 3.47Å; I133-K136 VanDerWaalsContact O-CB 3.3Å; I133-K136 WeakPolarHBondContact O-CB 3.26Å; I133-K136 PolarHBondContact O-N 3.11Å; K136-I138 PolarHBondContact O-N 3.12Å
137R76.4Confident83.8Confident210 Ų21079.4 Ų79.479%0.79238%0.376SS*.EExtended strand (participates in β ladder)trans-77.4114.9-179.4-66.2-178.5-174.2164.22.1109.9S100 I101S100-R137 CarbonylContact C-O 3.56Å; S100-R137 VanDerWaalsContact CA-O 3.23Å; S100-R137 WeakPolarHBondContact CA-O 3.1Å; I101-R137 PolarHBondContact N-O 2.68Å
138I84.5Confident84.2Confident51 Ų5181.4 Ų81.426%0.26239%0.386SS..EExtended strand (participates in β ladder)trans-112.5132.4168.1-172.2162.2000110.9I101 V103 F129 I133 K136 F140I101-I138 HydrophobicContact CG2-CB 4.26Å; I101-I138 HydrophobicContact CG2-CD1 3.92Å; I101-I138 HydrophobicContact CG2-CG1 3.87Å; I101-I138 WeakPolarHBondContact O-CA 3.38Å; V103-I138 HydrophobicContact CG2-CD1 4.27Å; F129-I138 HydrophobicContact CD1-CD1 4.35Å; F129-I138 HydrophobicContact CE1-CD1 4.22Å; I133-I138 HydrophobicContact CD1-CD1 4.42Å; I133-I138 HydrophobicContact CG2-CB 4.12Å; K136-I138 PolarHBondContact O-N 3.12Å; I138-F140 HydrophobicContact CD1-CE1 4.08Å; I138-F140 HydrophobicContact CD1-CE2 4.16Å; I138-F140 HydrophobicContact CD1-CZ 3.56Å; I138-F140 HydrophobicContact CG1-CE1 4.43Å; I138-F140 HydrophobicContact CG1-CE2 4.05Å; I138-F140 HydrophobicContact CG1-CZ 3.9Å; I138-F140 HydrophobicContact CG2-CE2 4.49Å
139S87.1Confident84.6Confident51 Ų5180.8 Ų80.836%0.35739%0.388SS..EExtended strand (participates in β ladder)trans-123.5153.7170.861.30000110.8I101 C102 V103I101-S139 PolarHBondContact O-N 3.44Å; I101-S139 VanDerWaalsContact O-N 3.11Å; C102-S139 WeakPolarHBondContact CB-OG 3.47Å; C102-S139 PolarHBondContact SG-OG 3.45Å; V103-S139 PolarHBondContact N-O 3.14Å
140F86.7Confident85Confident65 Ų6584.6 Ų84.629%0.28541%0.408SS..EExtended strand (participates in β ladder)trans-122.3129.7178-64.5-78.7000110.2V103 L108 I126 I138V103-F140 HydrophobicContact CB-CD1 3.87Å; V103-F140 HydrophobicContact CB-CE1 3.95Å; V103-F140 HydrophobicContact CG1-CD1 4.26Å; V103-F140 HydrophobicContact CG1-CE1 4.29Å; V103-F140 HydrophobicContact CG2-CE1 4.36Å; V103-F140 VanDerWaalsContact O-CA 3.31Å; V103-F140 WeakPolarHBondContact O-CA 3.46Å; L108-F140 HydrophobicContact CB-CB 4.33Å; L108-F140 HydrophobicContact CB-CD1 4.03Å; L108-F140 HydrophobicContact CB-CG 4.19Å; L108-F140 HydrophobicContact CD1-CD1 3.57Å; L108-F140 HydrophobicContact CD1-CE1 3.41Å; L108-F140 VanDerWaalsContact CD1-CE1 3.41Å; L108-F140 HydrophobicContact CD1-CG 4.38Å; L108-F140 HydrophobicContact CD1-CZ 4.1Å; L108-F140 HydrophobicContact CG-CD1 4.44Å; I126-F140 HydrophobicContact CG2-CE1 3.74Å; I126-F140 HydrophobicContact CG2-CZ 4.48Å; I138-F140 HydrophobicContact CD1-CE1 4.08Å; I138-F140 HydrophobicContact CD1-CE2 4.16Å; I138-F140 HydrophobicContact CD1-CZ 3.56Å; I138-F140 HydrophobicContact CG1-CE1 4.43Å; I138-F140 HydrophobicContact CG1-CE2 4.05Å; I138-F140 HydrophobicContact CG1-CZ 3.9Å; I138-F140 HydrophobicContact CG2-CE2 4.49Å
141E89.9Confident85.6Confident87 Ų8787.3 Ų87.341%0.40742%0.415SS..EExtended strand (participates in β ladder)trans-122.6157.8-179.7-64.6-62.4164.800111.2C102 V103 W104 Y105C102-E141 VanDerWaalsContact SG-CG 3.59Å; V103-E141 PolarHBondContact O-N 3.48Å; W104-E141 CarbonylContact C-O 3.6Å; W104-E141 WeakPolarHBondContact CA-O 3.49Å; W104-E141 HydrophobicContact CD2-CB 3.55Å; W104-E141 HydrophobicContact CD2-CG 4.37Å; W104-E141 HydrophobicContact CE3-CB 3.76Å; W104-E141 HydrophobicContact CG-CB 3.97Å; W104-E141 HydrophobicContact CH2-CB 4.29Å; W104-E141 HydrophobicContact CZ2-CB 4.09Å; W104-E141 HydrophobicContact CZ2-CG 4.16Å; W104-E141 HydrophobicContact CZ3-CB 4.13Å; Y105-E141 PolarHBondContact N-O 3.46Å
142N88.2Confident86.2Confident54 Ų5485 Ų8529%0.28941%0.414SS..  trans-98.2113.9174.2-162.2-22.4000111.4S106 S109 D144S106-N142 WeakPolarHBondContact CB-OD1 3.35Å; S109-N142 VanDerWaalsContact OG-CA 3.26Å; S109-N142 WeakPolarHBondContact OG-CA 3.3Å; S109-N142 WeakPolarHBondContact OG-CB 3.46Å; S109-N142 VanDerWaalsContact OG-CG 3.31Å; N142-D144 VanDerWaalsContact C-N 3.33Å; N142-D144 PolarHBondContact ND2-OD2 3.14Å; N142-D144 VanDerWaalsContact OD1-CB 3.24Å; N142-D144 WeakPolarHBondContact OD1-CB 3.32Å; N142-D144 PolarHBondContact OD1-N 2.89Å; N142-D144 PolarHBondContact OD1-OD1 2.77Å; N142-D144 PolarHBondContact OD1-OD2 2.94Å; N142-D144 VanDerWaalsContact OD1-OD2 3.09Å
143P91Very high86.9Confident24 Ų2486.2 Ų86.216%0.15642%0.423CS..  trans-78.4-10.7175.632.2-34.8000114.5W104 Y145 L146 I147W104-P143 HydrophobicContact CB-CB 4.28Å; W104-P143 HydrophobicContact CB-CG 4.34Å; W104-P143 HydrophobicContact CE3-CB 3.92Å; P143-Y145 PolarHBondContact O-N 3.12Å; P143-L146 WeakPolarHBondContact O-CB 3.38Å; P143-L146 PolarHBondContact O-N 3.39Å; P143-I147 HydrophobicContact CB-CD1 3.92Å; P143-I147 HydrophobicContact CB-CG1 4.35Å; P143-I147 HydrophobicContact CG-CD1 4.21Å; P143-I147 WeakPolarHBondContact O-CG1 3.3Å; P143-I147 PolarHBondContact O-N 2.88Å
144D89Confident87.8Confident48 Ų4890.3 Ų90.326%0.25744%0.441SS..Hα-helixtrans-55.1-47.1-168.6-67.7-19000112.6S106 N142 L146 I147 D148S106-D144 VanDerWaalsContact CB-OD1 3.3Å; S106-D144 WeakPolarHBondContact CB-OD1 3.49Å; S106-D144 WeakPolarHBondContact CB-OD2 3.22Å; S106-D144 PolarHBondContact OG-OD2 3.04Å; N142-D144 VanDerWaalsContact C-N 3.33Å; N142-D144 PolarHBondContact ND2-OD2 3.14Å; N142-D144 VanDerWaalsContact OD1-CB 3.24Å; N142-D144 WeakPolarHBondContact OD1-CB 3.32Å; N142-D144 PolarHBondContact OD1-N 2.89Å; N142-D144 PolarHBondContact OD1-OD1 2.77Å; N142-D144 PolarHBondContact OD1-OD2 2.94Å; N142-D144 VanDerWaalsContact OD1-OD2 3.09Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 2.94Å; D144-I147 PolarHBondContact O-N 3.23Å; D144-D148 WeakPolarHBondContact O-CB 3.42Å; D144-D148 VanDerWaalsContact O-CG 3.29Å; D144-D148 PolarHBondContact O-N 2.85Å
145Y90.9Very high89.6Confident189 Ų18986.6 Ų86.674%0.74143%0.425SS*.Hα-helixtrans-60.2-40.7179.3177.1-96.6000112.5P143 S149P143-Y145 PolarHBondContact O-N 3.12Å; Y145-S149 WeakPolarHBondContact O-CB 3.25Å; Y145-S149 PolarHBondContact O-N 2.95Å
146L93.8Very high91.2Very high82 Ų8284.4 Ų84.443%0.42941%0.413SS..Hα-helixtrans-67.1-46.2178-63.7179.7000110.6W104 P143 D144 D148 S149 I150W104-L146 HydrophobicContact CE3-CD1 4.23Å; W104-L146 HydrophobicContact CH2-CD1 3.7Å; W104-L146 HydrophobicContact CZ3-CD1 3.39Å; W104-L146 HydrophobicContact CZ3-CG 4.3Å; P143-L146 WeakPolarHBondContact O-CB 3.38Å; P143-L146 PolarHBondContact O-N 3.39Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 2.94Å; L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 3.5Å; L146-S149 PolarHBondContact O-N 3.4Å; L146-S149 PolarHBondContact O-OG 3.4Å; L146-I150 WeakPolarHBondContact O-CG1 3.34Å; L146-I150 PolarHBondContact O-N 3.36Å
147I94.5Very high92.6Very high23 Ų2387.9 Ų87.912%0.11843%0.426CS..Hα-helixtrans-61.3-45.5178.3-62.5169.5000110.4N14 F18 P143 D144 S149 I150 R151N14-I147 HydrophobicContact CB-CG2 4.16Å; N14-I147 VanDerWaalsContact OD1-CG2 3.31Å; N14-I147 WeakPolarHBondContact OD1-CG2 3.43Å; F18-I147 HydrophobicContact CE2-CB 4.5Å; F18-I147 HydrophobicContact CE2-CD1 4.13Å; F18-I147 HydrophobicContact CE2-CG1 3.91Å; F18-I147 HydrophobicContact CE2-CG2 3.87Å; F18-I147 HydrophobicContact CZ-CG1 4.08Å; F18-I147 HydrophobicContact CZ-CG2 4.21Å; P143-I147 HydrophobicContact CB-CD1 3.92Å; P143-I147 HydrophobicContact CB-CG1 4.35Å; P143-I147 HydrophobicContact CG-CD1 4.21Å; P143-I147 WeakPolarHBondContact O-CG1 3.3Å; P143-I147 PolarHBondContact O-N 2.88Å; D144-I147 PolarHBondContact O-N 3.23Å; I147-S149 VanDerWaalsContact C-N 3.32Å; I147-S149 PolarHBondContact O-N 3.04Å; I147-I150 PolarHBondContact O-N 3.36Å; I147-R151 HydrophobicContact CG2-CG 4.39Å; I147-R151 WeakPolarHBondContact O-CG 3.28Å; I147-R151 PolarHBondContact O-N 3.25Å
148D94Very high93.6Very high84 Ų8478.4 Ų78.445%0.44939%0.39SS..Hα-helixtrans-62.9-38.8178.3-74.3-18.2000111.7D144 L146 I150 R151 L152D144-D148 WeakPolarHBondContact O-CB 3.42Å; D144-D148 VanDerWaalsContact O-CG 3.29Å; D144-D148 PolarHBondContact O-N 2.85Å; L146-D148 VanDerWaalsContact C-N 3.35Å; L146-D148 PolarHBondContact O-N 3.5Å; D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.32Å; D148-R151 CarbonylContact O-C 3.59Å; D148-R151 PolarHBondContact O-N 3.09Å; D148-R151 IonicContact OD1-NH1 2.98Å; D148-L152 WeakPolarHBondContact O-CB 3.48Å; D148-L152 PolarHBondContact O-N 2.97Å
149S96.8Very high94.3Very high50 Ų5079.1 Ų79.135%0.3539%0.394SS..Hα-helixtrans-62.7-37.1176.977.60000112.9Y145 L146 I147 L152Y145-S149 WeakPolarHBondContact O-CB 3.25Å; Y145-S149 PolarHBondContact O-N 2.95Å; L146-S149 PolarHBondContact O-N 3.4Å; L146-S149 PolarHBondContact O-OG 3.4Å; I147-S149 VanDerWaalsContact C-N 3.32Å; I147-S149 PolarHBondContact O-N 3.04Å; S149-L152 WeakPolarHBondContact O-CB 2.98Å
150I96.1Very high94.8Very high86 Ų8683.4 Ų83.444%0.44141%0.406SS..Hα-helixtrans-72.4-46.2176.9-61.7166.3000109.4Y17 L146 I147 D148 L152 I153Y17-I150 HydrophobicContact CE1-CG2 3.9Å; Y17-I150 WeakPolarHBondContact OH-CG2 3.36Å; L146-I150 WeakPolarHBondContact O-CG1 3.34Å; L146-I150 PolarHBondContact O-N 3.36Å; I147-I150 PolarHBondContact O-N 3.36Å; D148-I150 VanDerWaalsContact C-N 3.32Å; D148-I150 PolarHBondContact O-N 3.32Å; I150-L152 PolarHBondContact O-N 2.76Å; I150-I153 PolarHBondContact O-N 3.34Å
151R97.1Very high95.4Very high79 Ų7981.3 Ų81.330%0.29840%0.397SS..Hα-helixtrans-64.1-21.8176.9-72174.564.8-145.7-7.8113.1N14 Y17 I147 D148 K154N14-R151 WeakPolarHBondContact OD1-CD 3.37Å; N14-R151 PolarHBondContact OD1-NH1 2.78Å; Y17-R151 HydrophobicContact CD1-CG 3.98Å; Y17-R151 HydrophobicContact CD2-CG 3.88Å; Y17-R151 HydrophobicContact CE1-CG 4.02Å; Y17-R151 HydrophobicContact CE2-CG 3.92Å; Y17-R151 HydrophobicContact CG-CG 3.91Å; I147-R151 HydrophobicContact CG2-CG 4.39Å; I147-R151 WeakPolarHBondContact O-CG 3.28Å; I147-R151 PolarHBondContact O-N 3.25Å; D148-R151 CarbonylContact O-C 3.59Å; D148-R151 PolarHBondContact O-N 3.09Å; D148-R151 IonicContact OD1-NH1 2.98Å; R151-K154 WeakPolarHBondContact O-CD 3.37Å; R151-K154 VanDerWaalsContact O-CE 3.29Å; R151-K154 WeakPolarHBondContact O-CE 3.37Å; R151-K154 PolarHBondContact O-NZ 3.4Å
152L97.8Very high95.8Very high119 Ų11979.4 Ų79.462%0.62339%0.39SS*.Hα-helixtrans-63.1-42.7178.7-177.461.1000111.3D148 S149 I150 K154D148-L152 WeakPolarHBondContact O-CB 3.48Å; D148-L152 PolarHBondContact O-N 2.97Å; S149-L152 WeakPolarHBondContact O-CB 2.98Å; I150-L152 PolarHBondContact O-N 2.76Å; L152-K154 VanDerWaalsContact O-CD 3.25Å; L152-K154 WeakPolarHBondContact O-CD 3.43Å; L152-K154 PolarHBondContact O-NZ 3.09Å
153I97.8Very high96.2Very high129 Ų12983 Ų8366%0.66240%0.403SS*.SBendtrans-95.2106.9-176.1-51-57.4000109.8I150I150-I153 PolarHBondContact O-N 3.34Å
154K98.3Very high96.6Very high88 Ų8884.6 Ų84.638%0.38341%0.412SS..  trans-81.9131.2-174.7-7957169.71760110.6R151 L152 E158 I159 L162R151-K154 WeakPolarHBondContact O-CD 3.37Å; R151-K154 VanDerWaalsContact O-CE 3.29Å; R151-K154 WeakPolarHBondContact O-CE 3.37Å; R151-K154 PolarHBondContact O-NZ 3.4Å; L152-K154 VanDerWaalsContact O-CD 3.25Å; L152-K154 WeakPolarHBondContact O-CD 3.43Å; L152-K154 PolarHBondContact O-NZ 3.09Å; K154-E158 HydrophobicContact CB-CB 3.94Å; K154-E158 HydrophobicContact CG-CB 3.99Å; K154-I159 HydrophobicContact CB-CG1 3.92Å; K154-L162 HydrophobicContact CG-CD1 3.99Å
155S98.2Very high97Very high56 Ų5682.3 Ų82.339%0.39240%0.4SS..  trans-68.1167.2168.169.40000112.2Y157 E158 I159S155-Y157 PolarHBondContact O-N 3.09Å; S155-E158 WeakPolarHBondContact CB-OE2 3.45Å; S155-E158 PolarHBondContact N-OE2 2.79Å; S155-E158 PolarHBondContact O-N 3.13Å; S155-E158 VanDerWaalsContact OG-CG 3.28Å; S155-E158 WeakPolarHBondContact OG-CG 3.41Å; S155-E158 PolarHBondContact OG-N 3.12Å; S155-E158 PolarHBondContact OG-OE2 2.55Å; S155-I159 WeakPolarHBondContact O-CG1 3.41Å; S155-I159 PolarHBondContact O-N 3.27Å
156N98.5Very high97.4Very high130 Ų13076.1 Ų76.170%0.69538%0.381SS*.Hα-helixtrans-59-30.5175.4-75.8-34000113.3K160N156-K160 WeakPolarHBondContact O-CG 3.45Å; N156-K160 PolarHBondContact O-N 3.22Å
157Y97.3Very high97.6Very high141 Ų14177.2 Ų77.255%0.55339%0.386SS*.Hα-helixtrans-67.4-50.9175.1178.2-94.8000110.3S155 I159 K160 Q161S155-Y157 PolarHBondContact O-N 3.09Å; Y157-I159 VanDerWaalsContact C-N 3.32Å; Y157-I159 PolarHBondContact O-N 3.31Å; Y157-K160 WeakPolarHBondContact O-CA 3.21Å; Y157-K160 WeakPolarHBondContact O-CB 3.48Å; Y157-K160 PolarHBondContact O-N 2.98Å; Y157-Q161 HydrophobicContact CD1-CG 4.04Å; Y157-Q161 HydrophobicContact CE1-CG 3.65Å; Y157-Q161 WeakPolarHBondContact O-CG 3.46Å; Y157-Q161 PolarHBondContact O-N 3.46Å; Y157-Q161 VanDerWaalsContact O-N 3.08Å
158E98.3Very high97.8Very high11 Ų1176.4 Ų76.45%0.05138%0.384CS..Hα-helixtrans-60.3-41-179.6-61.6174.578.400112.3K154 S155 K160 Q161 L162 Y245K154-E158 HydrophobicContact CB-CB 3.94Å; K154-E158 HydrophobicContact CG-CB 3.99Å; S155-E158 WeakPolarHBondContact CB-OE2 3.45Å; S155-E158 PolarHBondContact N-OE2 2.79Å; S155-E158 PolarHBondContact O-N 3.13Å; S155-E158 VanDerWaalsContact OG-CG 3.28Å; S155-E158 WeakPolarHBondContact OG-CG 3.41Å; S155-E158 PolarHBondContact OG-N 3.12Å; S155-E158 PolarHBondContact OG-OE2 2.55Å; E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 3.16Å; E158-Q161 PolarHBondContact O-N 3.28Å; E158-Q161 VanDerWaalsContact O-N 3.15Å; E158-L162 PolarHBondContact O-N 3.15Å; E158-Y245 HydrophobicContact CB-CD1 4.48Å; E158-Y245 HydrophobicContact CB-CE1 3.71Å; E158-Y245 HydrophobicContact CG-CE1 3.83Å; E158-Y245 VanDerWaalsContact CG-OH 3.25Å; E158-Y245 WeakPolarHBondContact CG-OH 3.35Å; E158-Y245 PolarHBondContact OE1-OH 3.26Å
159I98.6Very high98Very high66 Ų6672.4 Ų72.434%0.33836%0.362SS..Hα-helixtrans-58.9-39.5174.5-68.1168.5000111K154 S155 Y157 K163K154-I159 HydrophobicContact CB-CG1 3.92Å; S155-I159 WeakPolarHBondContact O-CG1 3.41Å; S155-I159 PolarHBondContact O-N 3.27Å; Y157-I159 VanDerWaalsContact C-N 3.32Å; Y157-I159 PolarHBondContact O-N 3.31Å; I159-K163 HydrophobicContact CG2-CD 4.25Å; I159-K163 WeakPolarHBondContact O-CB 3.46Å; I159-K163 VanDerWaalsContact O-CG 3.3Å; I159-K163 WeakPolarHBondContact O-CG 3.05Å; I159-K163 PolarHBondContact O-N 3.35Å
160K98.4Very high98.1Very high140 Ų14072.2 Ų72.261%0.60936%0.359SS*.Hα-helixtrans-66-42.9176-70.4171.4-176.9-178.80111.3N156 Y157 E158 K163 T164N156-K160 WeakPolarHBondContact O-CG 3.45Å; N156-K160 PolarHBondContact O-N 3.22Å; Y157-K160 WeakPolarHBondContact O-CA 3.21Å; Y157-K160 WeakPolarHBondContact O-CB 3.48Å; Y157-K160 PolarHBondContact O-N 2.98Å; E158-K160 VanDerWaalsContact C-N 3.27Å; E158-K160 PolarHBondContact O-N 3.16Å; K160-K163 PolarHBondContact O-N 3.31Å; K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.48Å
161Q98Very high98.2Very high21 Ų2171.4 Ų71.410%0.09835%0.353CS..Hα-helixtrans-61.5-45.1176.8-55.9-50.8102.800111.9Y157 E158 T164 S165 F242 N243 Y245Y157-Q161 HydrophobicContact CD1-CG 4.04Å; Y157-Q161 HydrophobicContact CE1-CG 3.65Å; Y157-Q161 WeakPolarHBondContact O-CG 3.46Å; Y157-Q161 PolarHBondContact O-N 3.46Å; Y157-Q161 VanDerWaalsContact O-N 3.08Å; E158-Q161 PolarHBondContact O-N 3.28Å; E158-Q161 VanDerWaalsContact O-N 3.15Å; Q161-T164 WeakPolarHBondContact O-CB 3.19Å; Q161-T164 PolarHBondContact O-N 3.38Å; Q161-S165 PolarHBondContact O-N 2.85Å; Q161-F242 VanDerWaalsContact NE2-CE1 3.35Å; Q161-N243 PolarHBondContact NE2-ND2 3.3Å; Q161-Y245 HydrophobicContact CB-CD2 3.41Å; Q161-Y245 VanDerWaalsContact CB-CD2 3.41Å; Q161-Y245 HydrophobicContact CB-CE2 4.06Å; Q161-Y245 HydrophobicContact CB-CG 3.84Å; Q161-Y245 HydrophobicContact CG-CD2 3.98Å; Q161-Y245 HydrophobicContact CG-CE2 4.18Å
162L98.2Very high98.3Very high48 Ų4867.6 Ų67.625%0.25134%0.339SS..Hα-helixtrans-59-47.2173.8-79.2165.3000111.6K154 E158 T164 S165 V166 Y245K154-L162 HydrophobicContact CG-CD1 3.99Å; E158-L162 PolarHBondContact O-N 3.15Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.37Å; L162-S165 PolarHBondContact O-N 2.92Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 3.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.35Å; L162-Y245 HydrophobicContact CD1-CD1 4.25Å; L162-Y245 HydrophobicContact CD2-CD1 4.12Å; L162-Y245 HydrophobicContact CD2-CG 4.44Å; L162-Y245 HydrophobicContact CG-CD1 3.78Å; L162-Y245 HydrophobicContact CG-CG 4.18Å
163K98.3Very high98.3Very high130 Ų13062.2 Ų62.257%0.56531%0.311SS*.Hα-helixtrans-56.9-42.9176.6-78.5176.5179.1-178.80112I159 K160 V166 I167I159-K163 HydrophobicContact CG2-CD 4.25Å; I159-K163 WeakPolarHBondContact O-CB 3.46Å; I159-K163 VanDerWaalsContact O-CG 3.3Å; I159-K163 WeakPolarHBondContact O-CG 3.05Å; I159-K163 PolarHBondContact O-N 3.35Å; K160-K163 PolarHBondContact O-N 3.31Å; K163-V166 PolarHBondContact O-N 3.17Å; K163-I167 VanDerWaalsContact O-CG1 3.29Å; K163-I167 WeakPolarHBondContact O-CG1 3.45Å; K163-I167 PolarHBondContact O-N 3Å
164T98.2Very high98.3Very high56 Ų5660.9 Ų60.934%0.34430%0.3SS..Hα-helixtrans-59.8-46.4175.3-57.70000111.5K160 Q161 L162 V166 I167 A168 F242K160-T164 PolarHBondContact O-N 2.83Å; K160-T164 PolarHBondContact O-OG1 3.48Å; Q161-T164 WeakPolarHBondContact O-CB 3.19Å; Q161-T164 PolarHBondContact O-N 3.38Å; L162-T164 VanDerWaalsContact C-N 3.3Å; L162-T164 PolarHBondContact O-N 3.37Å; T164-V166 VanDerWaalsContact C-N 3.35Å; T164-V166 PolarHBondContact O-N 3.43Å; T164-I167 PolarHBondContact O-N 3.35Å; T164-A168 PolarHBondContact O-N 3.22Å; T164-F242 HydrophobicContact CG2-CD1 3.63Å; T164-F242 HydrophobicContact CG2-CD2 4.2Å; T164-F242 HydrophobicContact CG2-CE1 3.61Å; T164-F242 HydrophobicContact CG2-CE2 4.19Å; T164-F242 HydrophobicContact CG2-CG 3.93Å; T164-F242 HydrophobicContact CG2-CZ 3.91Å
165S98.3Very high98.3Very high0 Ų057.4 Ų57.40%029%0.287CS..Hα-helixtrans-59.6-43.8176.677.30000112.2Q161 L162 A168 A169 C240 S247Q161-S165 PolarHBondContact O-N 2.85Å; L162-S165 PolarHBondContact O-N 2.92Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 3.15Å; S165-A168 PolarHBondContact O-N 3.38Å; S165-A169 PolarHBondContact O-N 2.89Å; S165-C240 WeakPolarHBondContact O-CB 3.41Å; S165-S247 PolarHBondContact O-OG 2.94Å; S165-S247 WeakPolarHBondContact OG-CB 3.4Å; S165-S247 PolarHBondContact OG-N 3.38Å
166V98.5Very high98.3Very high59 Ų5954.8 Ų54.836%0.35827%0.268SS..Hα-helixtrans-64.7-46.4179.2169.90000111.3L162 K163 T164 A168 A169 V170 I249L162-V166 WeakPolarHBondContact O-CG2 3.36Å; L162-V166 PolarHBondContact O-N 3.35Å; K163-V166 PolarHBondContact O-N 3.17Å; T164-V166 VanDerWaalsContact C-N 3.35Å; T164-V166 PolarHBondContact O-N 3.43Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 3.08Å; V166-A169 PolarHBondContact O-N 2.89Å; V166-V170 HydrophobicContact CG1-CG2 4.25Å; V166-V170 WeakPolarHBondContact O-CB 3.37Å; V166-V170 WeakPolarHBondContact O-CG2 3.34Å; V166-V170 PolarHBondContact O-N 3.01Å; V166-I249 HydrophobicContact CG1-CD1 4.28Å
167I98.4Very high98.3Very high105 Ų10552 Ų5254%0.53825%0.252SS..Hα-helixtrans-60.3-45178.6-69.8162.3000110.1K163 T164 A169 V170 E171K163-I167 VanDerWaalsContact O-CG1 3.29Å; K163-I167 WeakPolarHBondContact O-CG1 3.45Å; K163-I167 PolarHBondContact O-N 3Å; T164-I167 PolarHBondContact O-N 3.35Å; I167-A169 VanDerWaalsContact C-N 3.34Å; I167-A169 PolarHBondContact O-N 3.05Å; I167-V170 PolarHBondContact O-N 2.75Å; I167-E171 HydrophobicContact CG2-CG 4.38Å; I167-E171 WeakPolarHBondContact O-CB 3.48Å; I167-E171 WeakPolarHBondContact O-CG 3.22Å; I167-E171 PolarHBondContact O-N 2.99Å
168A98.2Very high98.4Very high7 Ų752.7 Ų52.76%0.05826%0.26CS..Hα-helixtrans-60.8-42176.900000112.4T164 S165 V166 S172 R200 C202 C240T164-A168 PolarHBondContact O-N 3.22Å; S165-A168 PolarHBondContact O-N 3.38Å; V166-A168 VanDerWaalsContact C-N 3.32Å; V166-A168 PolarHBondContact O-N 3.08Å; A168-S172 WeakPolarHBondContact O-CB 3.35Å; A168-S172 PolarHBondContact O-N 3.33Å; A168-S172 PolarHBondContact O-OG 3.33Å; A168-R200 HydrophobicContact CB-CB 4.06Å; A168-C202 HydrophobicContact CB-CB 4.46Å; A168-C202 WeakPolarHBondContact CB-SG 3.29Å; A168-C240 HydrophobicContact CB-CB 4.39Å
169A98.4Very high98.3Very high0 Ų054.8 Ų54.80%027%0.271CS..Hα-helixtrans-66.5-45.1177.900000112.1S165 V166 I167 E171 S172 L173 C240 S247 I249S165-A169 PolarHBondContact O-N 2.89Å; V166-A169 PolarHBondContact O-N 2.89Å; I167-A169 VanDerWaalsContact C-N 3.34Å; I167-A169 PolarHBondContact O-N 3.05Å; A169-E171 PolarHBondContact O-N 2.71Å; A169-S172 WeakPolarHBondContact O-CB 3.49Å; A169-S172 PolarHBondContact O-N 2.61Å; A169-L173 WeakPolarHBondContact O-CG 3.22Å; A169-L173 PolarHBondContact O-N 3.22Å; A169-C240 VanDerWaalsContact CA-SG 3.54Å; A169-C240 HydrophobicContact CB-CB 4.14Å; A169-C240 PolarHBondContact N-SG 3.25Å; A169-C240 VanDerWaalsContact N-SG 3.36Å; A169-S247 WeakPolarHBondContact CB-OG 3.34Å; A169-I249 HydrophobicContact CB-CD1 3.73Å; A169-I249 HydrophobicContact CB-CG1 4.48Å
170V98.6Very high98.3Very high45 Ų4552.7 Ų52.727%0.27326%0.261SS..Hα-helixtrans-58.8-49176.6168.20000111.2V166 I167 S172 L173 K174 I249V166-V170 HydrophobicContact CG1-CG2 4.25Å; V166-V170 WeakPolarHBondContact O-CB 3.37Å; V166-V170 WeakPolarHBondContact O-CG2 3.34Å; V166-V170 PolarHBondContact O-N 3.01Å; I167-V170 PolarHBondContact O-N 2.75Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 3.24Å; V170-L173 PolarHBondContact O-N 3.17Å; V170-K174 HydrophobicContact CG1-CD 4.32Å; V170-K174 WeakPolarHBondContact O-CG 3.37Å; V170-K174 PolarHBondContact O-N 3.13Å; V170-I249 HydrophobicContact CG2-CD1 3.69Å
171E98.5Very high98.3Very high69 Ų6952.3 Ų52.332%0.32226%0.262SS..Hα-helixtrans-66.4-32.6179.5-66.8-53.5128.900111.9I167 A169 K174 S175 R200I167-E171 HydrophobicContact CG2-CG 4.38Å; I167-E171 WeakPolarHBondContact O-CB 3.48Å; I167-E171 WeakPolarHBondContact O-CG 3.22Å; I167-E171 PolarHBondContact O-N 2.99Å; A169-E171 PolarHBondContact O-N 2.71Å; E171-K174 IonicContact OE1-NZ 2.72Å; E171-K174 PolarHBondContact OE1-NZ 2.81Å; E171-K174 IonicContact OE2-NZ 3.98Å; E171-S175 PolarHBondContact O-N 3.19Å; E171-S175 PolarHBondContact O-OG 2.78Å; E171-R200 VanDerWaalsContact CB-NE 3.33Å; E171-R200 PolarHBondContact O-NH2 3.07Å
172S98.5Very high98.3Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-66.9-43.2174.1-57.80000112.1A168 A169 V170 S175 A176 Q196 M197A168-S172 WeakPolarHBondContact O-CB 3.35Å; A168-S172 PolarHBondContact O-N 3.33Å; A168-S172 PolarHBondContact O-OG 3.33Å; A169-S172 WeakPolarHBondContact O-CB 3.49Å; A169-S172 PolarHBondContact O-N 2.61Å; V170-S172 VanDerWaalsContact C-N 3.28Å; V170-S172 PolarHBondContact O-N 3.24Å; S172-S175 PolarHBondContact O-N 3.01Å; S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 2.69Å; S172-Q196 VanDerWaalsContact OG-C 3.29Å; S172-M197 PolarHBondContact OG-N 3.12Å
173L98.5Very high98.4Very high6 Ų653 Ų533%0.03128%0.275CS..Hα-helixtrans-65.8-40.5175.8-72.5171.5000112.1A169 V170 S175 A176 M177 V236 I249 R251 W253A169-L173 WeakPolarHBondContact O-CG 3.22Å; A169-L173 PolarHBondContact O-N 3.22Å; V170-L173 PolarHBondContact O-N 3.17Å; L173-S175 PolarHBondContact O-N 3.46Å; L173-A176 WeakPolarHBondContact O-CB 3.35Å; L173-A176 PolarHBondContact O-N 2.89Å; L173-A176 VanDerWaalsContact O-N 3.16Å; L173-M177 WeakPolarHBondContact O-CG 3.23Å; L173-M177 PolarHBondContact O-N 3.07Å; L173-V236 HydrophobicContact CD2-CB 4.27Å; L173-V236 HydrophobicContact CD2-CG1 3.63Å; L173-I249 HydrophobicContact CD1-CB 4Å; L173-I249 HydrophobicContact CD1-CG2 3.61Å; L173-R251 HydrophobicContact CD1-CG 4.24Å; L173-W253 HydrophobicContact CD2-CH2 4.41Å
174K98.5Very high98.4Very high101 Ų10147.5 Ų47.544%0.43925%0.252SS..Hα-helixtrans-58.7-47.5173.1-74.6175.3-178.4171.70111.5V170 E171 A176 M177 Q178V170-K174 HydrophobicContact CG1-CD 4.32Å; V170-K174 WeakPolarHBondContact O-CG 3.37Å; V170-K174 PolarHBondContact O-N 3.13Å; E171-K174 IonicContact OE1-NZ 2.72Å; E171-K174 PolarHBondContact OE1-NZ 2.81Å; E171-K174 IonicContact OE2-NZ 3.98Å; K174-A176 VanDerWaalsContact C-N 3.28Å; K174-A176 PolarHBondContact O-N 2.91Å; K174-M177 PolarHBondContact O-N 2.87Å; K174-Q178 WeakPolarHBondContact O-CG 3.18Å; K174-Q178 PolarHBondContact O-N 2.86Å; K174-Q178 VanDerWaalsContact O-N 3.14Å
175S98.4Very high98.4Very high15 Ų1547.1 Ų47.111%0.10525%0.25CC..Hα-helixtrans-60.6-39.6175.2-64.60000111.5E171 S172 L173 Q178 I179 Y192 R200E171-S175 PolarHBondContact O-N 3.19Å; E171-S175 PolarHBondContact O-OG 2.78Å; S172-S175 PolarHBondContact O-N 3.01Å; L173-S175 PolarHBondContact O-N 3.46Å; S175-Q178 WeakPolarHBondContact O-CB 3.39Å; S175-Q178 PolarHBondContact O-N 3.06Å; S175-I179 PolarHBondContact O-N 3.32Å; S175-Y192 WeakPolarHBondContact O-CE1 3.49Å; S175-R200 PolarHBondContact OG-NH2 3.48Å
176A98.3Very high98.4Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-63.8-41.5177.700000112.3S172 L173 K174 Q178 I179 T180 L189 Y192 I193S172-A176 WeakPolarHBondContact O-CB 3.48Å; S172-A176 PolarHBondContact O-N 2.69Å; L173-A176 WeakPolarHBondContact O-CB 3.35Å; L173-A176 PolarHBondContact O-N 2.89Å; L173-A176 VanDerWaalsContact O-N 3.16Å; K174-A176 VanDerWaalsContact C-N 3.28Å; K174-A176 PolarHBondContact O-N 2.91Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.84Å; A176-I179 VanDerWaalsContact O-CG1 3.27Å; A176-I179 WeakPolarHBondContact O-CG1 3.3Å; A176-I179 PolarHBondContact O-N 2.8Å; A176-T180 PolarHBondContact O-N 2.78Å; A176-T180 PolarHBondContact O-OG1 3.25Å; A176-L189 HydrophobicContact CB-CD1 3.79Å; A176-Y192 HydrophobicContact CB-CD1 4.4Å; A176-I193 HydrophobicContact CB-CD1 4.14Å; A176-I193 HydrophobicContact CB-CG1 3.53Å
177M98.5Very high98.4Very high71 Ų7147.4 Ų47.435%0.3525%0.251SS..Hα-helixtrans-59.6-39.5173.2-69.7169.5179.100111.9L173 K174 I179 T180 R251 W253L173-M177 WeakPolarHBondContact O-CG 3.23Å; L173-M177 PolarHBondContact O-N 3.07Å; K174-M177 PolarHBondContact O-N 2.87Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 2.89Å; M177-T180 WeakPolarHBondContact O-CB 3.42Å; M177-T180 PolarHBondContact O-N 3Å; M177-R251 HydrophobicContact CE-CB 3.84Å; M177-R251 HydrophobicContact CE-CG 4.13Å; M177-W253 HydrophobicContact CE-CD2 3.98Å; M177-W253 HydrophobicContact CE-CE3 3.49Å; M177-W253 VanDerWaalsContact CE-CE3 3.49Å; M177-W253 HydrophobicContact CE-CZ3 3.83Å; M177-W253 HydrophobicContact CG-CD2 3.77Å; M177-W253 HydrophobicContact CG-CE3 4.13Å; M177-W253 HydrophobicContact CG-CG 4.14Å; M177-W253 HydrophobicContact CG-CH2 4.31Å; M177-W253 HydrophobicContact CG-CZ2 4Å; M177-W253 HydrophobicContact CG-CZ3 4.39Å
178Q98.1Very high98.4Very high157 Ų15745.9 Ų45.973%0.73425%0.247SC*.Hα-helixtrans-65.7-29.6-179.2-71.9172.4-20.400114.2K174 S175 A176K174-Q178 WeakPolarHBondContact O-CG 3.18Å; K174-Q178 PolarHBondContact O-N 2.86Å; K174-Q178 VanDerWaalsContact O-N 3.14Å; S175-Q178 WeakPolarHBondContact O-CB 3.39Å; S175-Q178 PolarHBondContact O-N 3.06Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.84Å
179I97.8Very high98.4Very high55 Ų5545.6 Ų45.628%0.28225%0.245SC..Hα-helixtrans-93-7.4177.768.1150.5000113.1S175 A176 M177 Q181 I184 L189 Y192S175-I179 PolarHBondContact O-N 3.32Å; A176-I179 VanDerWaalsContact O-CG1 3.27Å; A176-I179 WeakPolarHBondContact O-CG1 3.3Å; A176-I179 PolarHBondContact O-N 2.8Å; M177-I179 VanDerWaalsContact C-N 3.33Å; M177-I179 PolarHBondContact O-N 2.89Å; I179-Q181 PolarHBondContact O-N 3.01Å; I179-I184 HydrophobicContact CD1-CD1 4.21Å; I179-L189 HydrophobicContact CD1-CD1 4.44Å; I179-L189 HydrophobicContact CG1-CD1 4.45Å; I179-Y192 HydrophobicContact CD1-CD1 3.36Å; I179-Y192 HydrophobicContact CD1-CD2 3.87Å; I179-Y192 HydrophobicContact CD1-CE1 3.82Å; I179-Y192 HydrophobicContact CD1-CE2 4.29Å; I179-Y192 HydrophobicContact CD1-CG 3.35Å; I179-Y192 HydrophobicContact CG1-CD1 3.78Å; I179-Y192 HydrophobicContact CG1-CE1 3.84Å; I179-Y192 HydrophobicContact CG1-CG 4.28Å; I179-Y192 HydrophobicContact CG2-CE1 3.85Å; I179-Y192 HydrophobicContact CG2-CE2 4.23Å
180T98.5Very high98.4Very high21 Ų2147.5 Ų47.513%0.12925%0.254CS..  trans-70.3127.5-176-61.60000109.6A176 M177 I184 W253 V255A176-T180 PolarHBondContact O-N 2.78Å; A176-T180 PolarHBondContact O-OG1 3.25Å; M177-T180 WeakPolarHBondContact O-CB 3.42Å; M177-T180 PolarHBondContact O-N 3Å; T180-I184 HydrophobicContact CG2-CG2 4.41Å; T180-W253 PolarHBondContact OG1-NE1 3.39Å; T180-W253 VanDerWaalsContact OG1-NE1 3.1Å; T180-V255 HydrophobicContact CG2-CB 4.19Å; T180-V255 HydrophobicContact CG2-CG1 3.91Å; T180-V255 HydrophobicContact CG2-CG2 4.33Å
181Q98.2Very high98.4Very high133 Ų13348.5 Ų48.562%0.62126%0.262SS*.  trans-149.3156174.661.6-176.2-0.600110I179 G183 I184 V255I179-Q181 PolarHBondContact O-N 3.01Å; Q181-G183 PolarHBondContact O-N 3.04Å; Q181-I184 WeakPolarHBondContact O-CB 3.14Å; Q181-I184 VanDerWaalsContact O-CG2 3.26Å; Q181-I184 WeakPolarHBondContact O-CG2 3.46Å; Q181-I184 PolarHBondContact O-N 2.93Å; Q181-V255 CarbonylContact C-O 3.55Å; Q181-V255 WeakPolarHBondContact CA-O 3.48Å; Q181-V255 WeakPolarHBondContact O-CG1 3.41Å
182P98.4Very high98.4Very high57 Ų5748.2 Ų48.237%0.3726%0.259SS..THydrogen-bonded Turntrans-52.8134.2176.8-29.338.4000112.7N230 V255 N256P182-N230 HydrophobicContact CB-CB 3.79Å; P182-N230 HydrophobicContact CG-CB 4.07Å; P182-V255 WeakPolarHBondContact CD-O 3.26Å; P182-N256 HydrophobicContact CG-CB 3.79Å
183G98.3Very high98.4Very high25 Ų2548.2 Ų48.226%0.25826%0.259SS..THydrogen-bonded Turntrans89.1-3.8-176.700000114.9Q181 I228Q181-G183 PolarHBondContact O-N 3.04Å; G183-I228 WeakPolarHBondContact CA-O 3.44Å; G183-I228 PolarHBondContact N-O 3.24Å
184I98.5Very high98.4Very high16 Ų1650.3 Ų50.38%0.08227%0.268CS..  trans-58.5146.3167.9-163.8168.3000110I179 T180 Q181 T188 L189 I228 V255I179-I184 HydrophobicContact CD1-CD1 4.21Å; T180-I184 HydrophobicContact CG2-CG2 4.41Å; Q181-I184 WeakPolarHBondContact O-CB 3.14Å; Q181-I184 VanDerWaalsContact O-CG2 3.26Å; Q181-I184 WeakPolarHBondContact O-CG2 3.46Å; Q181-I184 PolarHBondContact O-N 2.93Å; I184-T188 HydrophobicContact CD1-CG2 4.32Å; I184-T188 HydrophobicContact CG1-CG2 4.13Å; I184-L189 HydrophobicContact CD1-CB 4.18Å; I184-L189 HydrophobicContact CD1-CD1 4.21Å; I184-I228 HydrophobicContact CG2-CB 4.44Å; I184-I228 HydrophobicContact CG2-CD1 4.34Å; I184-I228 PolarHBondContact O-N 2.94Å; I184-V255 HydrophobicContact CG2-CG1 4.24Å
185T98.7Very high98.4Very high48 Ų4852.1 Ų52.129%0.29427%0.274SS..BIsolated β-bridgetrans-92.6148.4172.474.80000110.7T187 T188 L189 M226T185-T187 PolarHBondContact O-N 3.07Å; T185-T188 WeakPolarHBondContact O-CB 3.26Å; T185-T188 PolarHBondContact O-N 3.35Å; T185-T188 VanDerWaalsContact O-N 3.13Å; T185-T188 WeakPolarHBondContact OG1-CB 3.19Å; T185-T188 PolarHBondContact OG1-N 3.43Å; T185-T188 PolarHBondContact OG1-OG1 3.27Å; T185-L189 PolarHBondContact O-N 3.01Å; T185-L189 VanDerWaalsContact O-N 3.07Å; T185-M226 WeakPolarHBondContact CA-O 3.5Å
186E98.7Very high98.4Very high0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-53.6-38.2171.9-67.9165.8171.900111.2L189 Q190 V210 G212 R215 Y221 N224 N225 M226 I228E186-L189 PolarHBondContact O-N 3.3Å; E186-Q190 WeakPolarHBondContact O-CB 3.37Å; E186-Q190 PolarHBondContact O-N 2.67Å; E186-V210 HydrophobicContact CB-CB 4.3Å; E186-V210 HydrophobicContact CB-CG1 3.92Å; E186-V210 WeakPolarHBondContact CB-O 3.36Å; E186-V210 HydrophobicContact CG-CG1 4.17Å; E186-V210 WeakPolarHBondContact CG-O 3.14Å; E186-G212 PolarHBondContact OE1-N 3.11Å; E186-R215 IonicContact OE1-CZ 3.95Å; E186-R215 VanDerWaalsContact OE1-CZ 3.28Å; E186-R215 IonicContact OE1-NE 3.58Å; E186-R215 PolarHBondContact OE1-NE 2.9Å; E186-R215 IonicContact OE1-NH2 2.71Å; E186-R215 PolarHBondContact OE1-NH2 3.06Å; E186-R215 IonicContact OE2-NE 3.38Å; E186-Y221 VanDerWaalsContact OE2-CE1 3.23Å; E186-Y221 WeakPolarHBondContact OE2-CE1 3.44Å; E186-Y221 PolarHBondContact OE2-OH 2.99Å; E186-N224 CarbonylContact C-O 3.56Å; E186-N224 HydrophobicContact CB-CB 4.17Å; E186-N224 WeakPolarHBondContact OE2-CA 3.44Å; E186-N225 PolarHBondContact OE2-N 3.1Å; E186-M226 WeakPolarHBondContact CG-O 3.44Å; E186-M226 PolarHBondContact N-O 3.35Å; E186-M226 WeakPolarHBondContact OE2-CB 3.37Å; E186-M226 PolarHBondContact OE2-N 3.25Å; E186-I228 HydrophobicContact CG-CD1 3.81Å; E186-I228 HydrophobicContact CG-CG1 3.78Å
187T98.6Very high98.4Very high64 Ų6452.3 Ų52.339%0.39327%0.273SS..Hα-helixtrans-65.4-43.1178.1-51.20000112T185 L189 S191 N224 N225T185-T187 PolarHBondContact O-N 3.07Å; T187-L189 VanDerWaalsContact C-N 3.33Å; T187-S191 VanDerWaalsContact O-CB 3.29Å; T187-S191 WeakPolarHBondContact O-CB 3.23Å; T187-S191 PolarHBondContact O-N 2.9Å; T187-S191 PolarHBondContact O-OG 2.61Å; T187-N224 VanDerWaalsContact CA-O 3.24Å; T187-N224 WeakPolarHBondContact CA-O 3.33Å; T187-N224 WeakPolarHBondContact CB-O 3.5Å; T187-N224 PolarHBondContact N-O 3.34Å; T187-N224 PolarHBondContact OG1-O 3.34Å; T187-N225 WeakPolarHBondContact OG1-CA 3.29Å
188T98.5Very high98.3Very high74 Ų7455.9 Ų55.945%0.45428%0.282SS..Hα-helixtrans-61.1-45.9176.7-59.10000110.2I184 T185 S191 Y192I184-T188 HydrophobicContact CD1-CG2 4.32Å; I184-T188 HydrophobicContact CG1-CG2 4.13Å; T185-T188 WeakPolarHBondContact O-CB 3.26Å; T185-T188 PolarHBondContact O-N 3.35Å; T185-T188 VanDerWaalsContact O-N 3.13Å; T185-T188 WeakPolarHBondContact OG1-CB 3.19Å; T185-T188 PolarHBondContact OG1-N 3.43Å; T185-T188 PolarHBondContact OG1-OG1 3.27Å; T188-S191 PolarHBondContact O-N 3.07Å; T188-Y192 WeakPolarHBondContact O-CB 3.45Å; T188-Y192 PolarHBondContact O-N 2.91Å
189L98.4Very high98.3Very high0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-66.7-44.8-179.6-171.661.8000111.5A176 I179 I184 T185 E186 T187 Y192 I193 V210 V234 V236 W253A176-L189 HydrophobicContact CB-CD1 3.79Å; I179-L189 HydrophobicContact CD1-CD1 4.44Å; I179-L189 HydrophobicContact CG1-CD1 4.45Å; I184-L189 HydrophobicContact CD1-CB 4.18Å; I184-L189 HydrophobicContact CD1-CD1 4.21Å; T185-L189 PolarHBondContact O-N 3.01Å; T185-L189 VanDerWaalsContact O-N 3.07Å; E186-L189 PolarHBondContact O-N 3.3Å; T187-L189 VanDerWaalsContact C-N 3.33Å; L189-Y192 PolarHBondContact O-N 3.14Å; L189-I193 HydrophobicContact CG-CD1 4.08Å; L189-I193 WeakPolarHBondContact O-CD1 3.4Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.13Å; L189-V210 HydrophobicContact CB-CG1 4.09Å; L189-V210 HydrophobicContact CD2-CG1 3.84Å; L189-V210 HydrophobicContact CG-CG1 4.22Å; L189-V234 HydrophobicContact CD2-CG1 4.39Å; L189-V234 HydrophobicContact CD2-CG2 3.95Å; L189-V236 HydrophobicContact CD2-CG2 4.04Å; L189-W253 HydrophobicContact CD2-CZ2 3.97Å
190Q98.5Very high98.3Very high41 Ų4153 Ų5319%0.19227%0.272CS..Hα-helixtrans-55.6-53172.6179.7-174-22.200111.2E186 Y192 I193 E194 P208 V210 N224E186-Q190 WeakPolarHBondContact O-CB 3.37Å; E186-Q190 PolarHBondContact O-N 2.67Å; Q190-Y192 PolarHBondContact O-N 3.28Å; Q190-I193 WeakPolarHBondContact O-CB 3.31Å; Q190-I193 PolarHBondContact O-N 2.95Å; Q190-I193 VanDerWaalsContact O-N 3.12Å; Q190-E194 HydrophobicContact CG-CG 4.42Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.46Å; Q190-E194 PolarHBondContact NE2-OE1 2.95Å; Q190-E194 WeakPolarHBondContact O-CG 3.25Å; Q190-E194 PolarHBondContact O-N 3.14Å; Q190-P208 HydrophobicContact CG-CB 4.33Å; Q190-P208 HydrophobicContact CG-CG 4.26Å; Q190-V210 HydrophobicContact CB-CG2 3.87Å; Q190-N224 PolarHBondContact OE1-ND2 3.18Å
191S98.4Very high98.2Very high65 Ų6554.5 Ų54.546%0.45529%0.292SS..Hα-helixtrans-59.5-38.4-177.3-620000111.6T187 T188 Y195T187-S191 VanDerWaalsContact O-CB 3.29Å; T187-S191 WeakPolarHBondContact O-CB 3.23Å; T187-S191 PolarHBondContact O-N 2.9Å; T187-S191 PolarHBondContact O-OG 2.61Å; T188-S191 PolarHBondContact O-N 3.07Å; S191-Y195 WeakPolarHBondContact O-CB 3.5Å; S191-Y195 PolarHBondContact O-N 3.25Å
192Y98.5Very high98.1Very high64 Ų6448.5 Ų48.525%0.25127%0.265SS..Hα-helixtrans-68.9-42.5176.2-171.8-102.1000112.4S175 A176 I179 T188 L189 Q190 Y195 Q196S175-Y192 WeakPolarHBondContact O-CE1 3.49Å; A176-Y192 HydrophobicContact CB-CD1 4.4Å; I179-Y192 HydrophobicContact CD1-CD1 3.36Å; I179-Y192 HydrophobicContact CD1-CD2 3.87Å; I179-Y192 HydrophobicContact CD1-CE1 3.82Å; I179-Y192 HydrophobicContact CD1-CE2 4.29Å; I179-Y192 HydrophobicContact CD1-CG 3.35Å; I179-Y192 HydrophobicContact CG1-CD1 3.78Å; I179-Y192 HydrophobicContact CG1-CE1 3.84Å; I179-Y192 HydrophobicContact CG1-CG 4.28Å; I179-Y192 HydrophobicContact CG2-CE1 3.85Å; I179-Y192 HydrophobicContact CG2-CE2 4.23Å; T188-Y192 WeakPolarHBondContact O-CB 3.45Å; T188-Y192 PolarHBondContact O-N 2.91Å; L189-Y192 PolarHBondContact O-N 3.14Å; Q190-Y192 PolarHBondContact O-N 3.28Å; Y192-Y195 HydrophobicContact CD2-CD1 4.47Å; Y192-Y195 HydrophobicContact CE2-CD1 4.5Å; Y192-Y195 WeakPolarHBondContact O-CB 3.44Å; Y192-Y195 PolarHBondContact O-N 3.35Å; Y192-Q196 HydrophobicContact CD1-CG 4.02Å; Y192-Q196 HydrophobicContact CE1-CG 3.77Å; Y192-Q196 WeakPolarHBondContact O-CG 3.45Å; Y192-Q196 PolarHBondContact O-N 2.89Å; Y192-Q196 PolarHBondContact OH-NE2 3.28Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.09Å
193I98.4Very high98Very high0 Ų047.4 Ų47.40%026%0.259CS..Hα-helixtrans-57.8-51.8174.1-69.6158.2000109.8A176 L189 Q190 Y195 Q196 M197 V210 V236 A238A176-I193 HydrophobicContact CB-CD1 4.14Å; A176-I193 HydrophobicContact CB-CG1 3.53Å; L189-I193 HydrophobicContact CG-CD1 4.08Å; L189-I193 WeakPolarHBondContact O-CD1 3.4Å; L189-I193 VanDerWaalsContact O-CG1 3.26Å; L189-I193 WeakPolarHBondContact O-CG1 3.37Å; L189-I193 PolarHBondContact O-N 3.13Å; Q190-I193 WeakPolarHBondContact O-CB 3.31Å; Q190-I193 PolarHBondContact O-N 2.95Å; Q190-I193 VanDerWaalsContact O-N 3.12Å; I193-Y195 VanDerWaalsContact C-N 3.31Å; I193-Y195 PolarHBondContact O-N 2.86Å; I193-Q196 WeakPolarHBondContact O-CB 3.47Å; I193-Q196 PolarHBondContact O-N 2.98Å; I193-Q196 VanDerWaalsContact O-N 3.08Å; I193-M197 HydrophobicContact CG2-CE 3.44Å; I193-M197 VanDerWaalsContact CG2-CE 3.44Å; I193-M197 HydrophobicContact CG2-CG 4.33Å; I193-M197 HydrophobicContact CG2-SD 4.03Å; I193-M197 VanDerWaalsContact O-CG 3.27Å; I193-M197 WeakPolarHBondContact O-CG 3.33Å; I193-M197 PolarHBondContact O-N 3.42Å; I193-V210 HydrophobicContact CD1-CG2 4.38Å; I193-V236 HydrophobicContact CD1-CG1 3.58Å; I193-V236 HydrophobicContact CD1-CG2 4.34Å; I193-A238 HydrophobicContact CG2-CB 4.16Å
194E98.2Very high97.9Very high49 Ų4947.6 Ų47.623%0.22925%0.254CS..Hα-helixtrans-60.2-39.7-180-66.2-173.7-162.200112.4Q190 M197 R198 V204 P208Q190-E194 HydrophobicContact CG-CG 4.42Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.46Å; Q190-E194 PolarHBondContact NE2-OE1 2.95Å; Q190-E194 WeakPolarHBondContact O-CG 3.25Å; Q190-E194 PolarHBondContact O-N 3.14Å; E194-M197 PolarHBondContact O-N 2.86Å; E194-R198 WeakPolarHBondContact O-CB 3.48Å; E194-R198 VanDerWaalsContact O-CG 3.27Å; E194-R198 WeakPolarHBondContact O-CG 3.3Å; E194-R198 PolarHBondContact O-N 2.87Å; E194-V204 HydrophobicContact CB-CG2 3.98Å; E194-V204 HydrophobicContact CG-CG2 3.67Å; E194-P208 HydrophobicContact CG-CG 4.33Å
195Y98.2Very high97.8Very high140 Ų14048 Ų4855%0.54926%0.262SS..Hα-helixtrans-58.7-48172.5164.7-104.2000111.8S191 Y192 I193 M197 R198 S199S191-Y195 WeakPolarHBondContact O-CB 3.5Å; S191-Y195 PolarHBondContact O-N 3.25Å; Y192-Y195 HydrophobicContact CD2-CD1 4.47Å; Y192-Y195 HydrophobicContact CE2-CD1 4.5Å; Y192-Y195 WeakPolarHBondContact O-CB 3.44Å; Y192-Y195 PolarHBondContact O-N 3.35Å; I193-Y195 VanDerWaalsContact C-N 3.31Å; I193-Y195 PolarHBondContact O-N 2.86Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; Y195-M197 PolarHBondContact O-N 2.92Å; Y195-R198 PolarHBondContact O-N 2.87Å; Y195-S199 WeakPolarHBondContact O-CB 3.41Å; Y195-S199 PolarHBondContact O-N 2.85Å; Y195-S199 PolarHBondContact O-OG 2.93Å
196Q98.4Very high97.7Very high19 Ų1948.2 Ų48.29%0.08926%0.258CS..Hα-helixtrans-63.6-37.8179.9-68.3-67.5-29.300111.9S172 Y192 I193 S199 R200S172-Q196 VanDerWaalsContact OG-C 3.29Å; Y192-Q196 HydrophobicContact CD1-CG 4.02Å; Y192-Q196 HydrophobicContact CE1-CG 3.77Å; Y192-Q196 WeakPolarHBondContact O-CG 3.45Å; Y192-Q196 PolarHBondContact O-N 2.89Å; Y192-Q196 PolarHBondContact OH-NE2 3.28Å; Y192-Q196 VanDerWaalsContact OH-NE2 3.09Å; I193-Q196 WeakPolarHBondContact O-CB 3.47Å; I193-Q196 PolarHBondContact O-N 2.98Å; I193-Q196 VanDerWaalsContact O-N 3.08Å; Q196-S199 PolarHBondContact O-OG 3.08Å; Q196-S199 VanDerWaalsContact O-OG 3.05Å; Q196-R200 VanDerWaalsContact C-NH1 3.34Å; Q196-R200 VanDerWaalsContact CB-NH1 3.34Å; Q196-R200 WeakPolarHBondContact O-CG 3.24Å; Q196-R200 PolarHBondContact O-N 3.3Å; Q196-R200 PolarHBondContact O-NH1 3.44Å; Q196-R200 VanDerWaalsContact OE1-CZ 3.29Å
197M98.1Very high97.6Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-64.5-46.7175.7-63.7-177.9167.200111.2S172 I193 E194 Y195 R200 C202 A238 C240S172-M197 PolarHBondContact OG-N 3.12Å; I193-M197 HydrophobicContact CG2-CE 3.44Å; I193-M197 VanDerWaalsContact CG2-CE 3.44Å; I193-M197 HydrophobicContact CG2-CG 4.33Å; I193-M197 HydrophobicContact CG2-SD 4.03Å; I193-M197 VanDerWaalsContact O-CG 3.27Å; I193-M197 WeakPolarHBondContact O-CG 3.33Å; I193-M197 PolarHBondContact O-N 3.42Å; E194-M197 PolarHBondContact O-N 2.86Å; Y195-M197 VanDerWaalsContact C-N 3.33Å; Y195-M197 PolarHBondContact O-N 2.92Å; M197-R200 PolarHBondContact O-N 3.4Å; M197-C202 CarbonylContact C-O 3.59Å; M197-C202 WeakPolarHBondContact O-CB 3.48Å; M197-C202 PolarHBondContact O-N 3.02Å; M197-A238 HydrophobicContact CE-CB 3.74Å; M197-C240 WeakPolarHBondContact CG-SG 3.44Å
198R97.7Very high97.5Very high145 Ų14549.1 Ų49.155%0.54727%0.265SS..Hα-helixtrans-66.8-41.1-179.2-70.7176.9-176.2-71.41113.1E194 Y195 R200 G201 C202E194-R198 WeakPolarHBondContact O-CB 3.48Å; E194-R198 VanDerWaalsContact O-CG 3.27Å; E194-R198 WeakPolarHBondContact O-CG 3.3Å; E194-R198 PolarHBondContact O-N 2.87Å; Y195-R198 PolarHBondContact O-N 2.87Å; R198-R200 PolarHBondContact O-N 3.21Å; R198-G201 PolarHBondContact O-N 3Å; R198-C202 VanDerWaalsContact CA-O 3.22Å; R198-C202 WeakPolarHBondContact CA-O 3.44Å
199S97.7Very high97.5Very high71 Ų7146 Ų4650%0.49725%0.246SC..Hα-helixtrans-65.1-19.5176.367.20000113Y195 Q196Y195-S199 WeakPolarHBondContact O-CB 3.41Å; Y195-S199 PolarHBondContact O-N 2.85Å; Y195-S199 PolarHBondContact O-OG 2.93Å; Q196-S199 PolarHBondContact O-OG 3.08Å; Q196-S199 VanDerWaalsContact O-OG 3.05Å
200R97.4Very high97.6Very high80 Ų8046 Ų4630%0.30225%0.246SC..THydrogen-bonded Turntrans-93.514.1173.1-68.2171.8-178.369.9-7.7113.6A168 E171 S175 Q196 M197 R198 C202A168-R200 HydrophobicContact CB-CB 4.06Å; E171-R200 VanDerWaalsContact CB-NE 3.33Å; E171-R200 PolarHBondContact O-NH2 3.07Å; S175-R200 PolarHBondContact OG-NH2 3.48Å; Q196-R200 VanDerWaalsContact C-NH1 3.34Å; Q196-R200 VanDerWaalsContact CB-NH1 3.34Å; Q196-R200 WeakPolarHBondContact O-CG 3.24Å; Q196-R200 PolarHBondContact O-N 3.3Å; Q196-R200 PolarHBondContact O-NH1 3.44Å; Q196-R200 VanDerWaalsContact OE1-CZ 3.29Å; M197-R200 PolarHBondContact O-N 3.4Å; R198-R200 PolarHBondContact O-N 3.21Å; R200-C202 VanDerWaalsContact C-N 3.34Å; R200-C202 PolarHBondContact O-N 2.99Å
201G96.5Very high97.6Very high54 Ų5444.1 Ų44.156%0.55724%0.237SC*.THydrogen-bonded Turntrans78.113.9176.400000114.8R198R198-G201 PolarHBondContact O-N 3Å
202C96.8Very high97.6Very high6 Ų641 Ų414%0.04122%0.216CC..  trans-104.2148.5177.2-65.50000111.7A168 M197 R198 R200 C240A168-C202 HydrophobicContact CB-CB 4.46Å; A168-C202 WeakPolarHBondContact CB-SG 3.29Å; M197-C202 CarbonylContact C-O 3.59Å; M197-C202 WeakPolarHBondContact O-CB 3.48Å; M197-C202 PolarHBondContact O-N 3.02Å; R198-C202 VanDerWaalsContact CA-O 3.22Å; R198-C202 WeakPolarHBondContact CA-O 3.44Å; R200-C202 VanDerWaalsContact C-N 3.34Å; R200-C202 PolarHBondContact O-N 2.99Å; C202-C240 HydrophobicContact CB-CB 3.72Å
203S96.1Very high97.5Very high35 Ų3538.5 Ų38.525%0.24521%0.21CC..EExtended strand (participates in β ladder)trans-83.5166.9159.858.70000110.2C240 R241S203-C240 CarbonylContact O-C 3.57Å; S203-R241 PolarHBondContact N-O 2.89Å; S203-R241 PolarHBondContact O-N 3.2Å; S203-R241 WeakPolarHBondContact OG-CB 3.22Å; S203-R241 PolarHBondContact OG-NE 2.89Å; S203-R241 PolarHBondContact OG-O 2.84Å; S203-R241 VanDerWaalsContact OG-O 3.07Å
204V96.7Very high97.5Very high28 Ų2845 Ų4517%0.1724%0.244CC..EExtended strand (participates in β ladder)trans-75.8127.6171.2-178.10000108E194 Y206 P208E194-V204 HydrophobicContact CB-CG2 3.98Å; E194-V204 HydrophobicContact CG-CG2 3.67Å; V204-Y206 WeakPolarHBondContact CG1-O 3.27Å; V204-P208 HydrophobicContact CG1-CG 4.15Å
205G96.2Very high97.5Very high24 Ų2444.9 Ų44.925%0.24724%0.242CC..SBendtrans-77.2-35.8-174.300000114.1G239G205-G239 PolarHBondContact N-O 2.98Å
206Y96.4Very high97.5Very high54 Ų5440.1 Ų40.121%0.21223%0.227CC..SBendtrans-155.5158.9174.150.5-97.7000108.7V204 P208 D237 A238 G239 T246 D248 I249V204-Y206 WeakPolarHBondContact CG1-O 3.27Å; Y206-P208 VanDerWaalsContact O-CD 3.26Å; Y206-P208 WeakPolarHBondContact O-CD 3.44Å; Y206-P208 VanDerWaalsContact O-N 3.12Å; Y206-D237 PolarHBondContact OH-OD1 3.05Å; Y206-A238 WeakPolarHBondContact OH-CA 3.44Å; Y206-A238 PolarHBondContact OH-N 3.22Å; Y206-A238 PolarHBondContact OH-O 3.48Å; Y206-G239 PolarHBondContact OH-N 2.91Å; Y206-T246 HydrophobicContact CD1-CG2 4.22Å; Y206-T246 HydrophobicContact CE1-CG2 4.44Å; Y206-D248 HydrophobicContact CE1-CB 4.07Å; Y206-D248 VanDerWaalsContact CZ-OD1 3.31Å; Y206-D248 WeakPolarHBondContact OH-CA 3.45Å; Y206-D248 PolarHBondContact OH-OD1 3.27Å; Y206-I249 PolarHBondContact OH-N 3.21Å
207P95.7Very high97.4Very high82 Ų8245.4 Ų45.453%0.53226%0.256SS..PPolyproline II helixtrans-54.9118.2177.2-25.435.5000110.8M222P207-M222 HydrophobicContact CB-CE 3.74Å; P207-M222 HydrophobicContact CG-CE 3.94Å
208P97.6Very high97.4Very high1 Ų149.7 Ų49.71%0.00628%0.278CS..PPolyproline II helixtrans-61.7144.1-176.9-24.835.2000111.8Q190 E194 V204 Y206 V210 N224 D237 A238Q190-P208 HydrophobicContact CG-CB 4.33Å; Q190-P208 HydrophobicContact CG-CG 4.26Å; E194-P208 HydrophobicContact CG-CG 4.33Å; V204-P208 HydrophobicContact CG1-CG 4.15Å; Y206-P208 VanDerWaalsContact O-CD 3.26Å; Y206-P208 WeakPolarHBondContact O-CD 3.44Å; Y206-P208 VanDerWaalsContact O-N 3.12Å; P208-V210 HydrophobicContact CB-CG2 4.38Å; P208-N224 PolarHBondContact O-ND2 3.27Å; P208-D237 CarbonylContact C-O 3.52Å; P208-D237 VanDerWaalsContact CA-O 3.26Å; P208-D237 WeakPolarHBondContact CA-O 3.27Å; P208-A238 HydrophobicContact CB-CB 4.01Å; P208-A238 HydrophobicContact CG-CB 4.37Å
209V98.7Very high97.3Very high9 Ų949.6 Ų49.66%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-88.9125.9162.4174.60000107.2A211 Y221 L235 V236 D237V209-A211 HydrophobicContact CG1-CB 4.22Å; V209-Y221 WeakPolarHBondContact CG1-O 3.21Å; V209-L235 HydrophobicContact CG1-CD2 4.06Å; V209-V236 CarbonylContact O-C 3.53Å; V209-V236 VanDerWaalsContact O-CA 3.23Å; V209-V236 WeakPolarHBondContact O-CA 3.37Å; V209-D237 HydrophobicContact CB-CB 3.79Å; V209-D237 HydrophobicContact CG2-CB 4.2Å; V209-D237 PolarHBondContact N-O 3.42Å; V209-D237 PolarHBondContact O-N 3.36Å
210V98.6Very high97.2Very high0 Ų053.5 Ų53.50%030%0.297CS..EExtended strand (participates in β ladder)trans-132.296.1172.6-176.80000108E186 L189 Q190 I193 P208 Y221 N224 V234 V236E186-V210 HydrophobicContact CB-CB 4.3Å; E186-V210 HydrophobicContact CB-CG1 3.92Å; E186-V210 WeakPolarHBondContact CB-O 3.36Å; E186-V210 HydrophobicContact CG-CG1 4.17Å; E186-V210 WeakPolarHBondContact CG-O 3.14Å; L189-V210 HydrophobicContact CB-CG1 4.09Å; L189-V210 HydrophobicContact CD2-CG1 3.84Å; L189-V210 HydrophobicContact CG-CG1 4.22Å; Q190-V210 HydrophobicContact CB-CG2 3.87Å; I193-V210 HydrophobicContact CD1-CG2 4.38Å; P208-V210 HydrophobicContact CB-CG2 4.38Å; V210-Y221 VanDerWaalsContact O-CE1 3.3Å; V210-Y221 WeakPolarHBondContact O-CE1 3.5Å; V210-N224 HydrophobicContact CB-CB 4.39Å; V210-N224 PolarHBondContact N-OD1 2.76Å; V210-N224 PolarHBondContact O-OD1 2.68Å; V210-V234 HydrophobicContact CG1-CG2 4.14Å; V210-V236 HydrophobicContact CG1-CG2 4.14Å; V210-V236 HydrophobicContact CG2-CG1 4.4Å; V210-V236 HydrophobicContact CG2-CG2 4.29Å
211A98.7Very high97.2Very high0 Ų050.3 Ų50.30%029%0.285CS..EExtended strand (participates in β ladder)trans-119.3118.3-170.300000111.1V209 R215 T216 Y221 V234 L235V209-A211 HydrophobicContact CG1-CB 4.22Å; A211-R215 HydrophobicContact CB-CB 4.18Å; A211-T216 HydrophobicContact CB-CG2 4.33Å; A211-T216 WeakPolarHBondContact O-CG2 3.39Å; A211-Y221 HydrophobicContact CB-CD1 3.7Å; A211-Y221 HydrophobicContact CB-CE1 4.33Å; A211-Y221 HydrophobicContact CB-CG 4.17Å; A211-V234 CarbonylContact O-C 3.56Å; A211-V234 WeakPolarHBondContact O-CA 3.26Å; A211-L235 PolarHBondContact N-O 3.01Å; A211-L235 PolarHBondContact O-N 2.87Å
212G98.5Very high97.1Very high0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-92.5148.4172.600000113.3E186 D214 R215 L233E186-G212 PolarHBondContact OE1-N 3.11Å; G212-D214 PolarHBondContact O-N 3.43Å; G212-R215 WeakPolarHBondContact O-CB 3.5Å; G212-R215 PolarHBondContact O-N 2.98Å; G212-R215 PolarHBondContact O-NE 2.8Å; G212-R215 PolarHBondContact O-NH1 2.84Å; G212-R215 PolarHBondContact O-NH2 3.16Å; G212-R215 VanDerWaalsContact O-NH2 3.13Å; G212-L233 CarbonylContact C-O 3.51Å; G212-L233 WeakPolarHBondContact CA-O 3.44Å
213G97.7Very high97.2Very high12 Ų1260.5 Ų60.512%0.12432%0.317CS..G310 helixtrans57.4-134.5171.300000113.3R215 T216 E232 L233G213-R215 PolarHBondContact O-N 3.4Å; G213-R215 VanDerWaalsContact O-N 3.13Å; G213-T216 WeakPolarHBondContact O-CB 3.27Å; G213-T216 WeakPolarHBondContact O-CG2 3.3Å; G213-T216 PolarHBondContact O-N 2.81Å; G213-T216 VanDerWaalsContact O-N 3.17Å; G213-T216 PolarHBondContact O-OG1 3.39Å; G213-E232 WeakPolarHBondContact CA-OE1 3.4Å; G213-L233 PolarHBondContact N-O 2.89Å
214D97.5Very high97.2Very high137 Ų13759 Ų5973%0.73331%0.306SS*.G310 helixtrans-62.2-20.3-178.9-71.6-19.3000114.2G212 T216 N217G212-D214 PolarHBondContact O-N 3.43Å; D214-T216 PolarHBondContact O-N 3.04Å; D214-N217 WeakPolarHBondContact O-CB 3.44Å; D214-N217 PolarHBondContact O-N 2.82Å; D214-N217 VanDerWaalsContact O-N 3.13Å; D214-N217 PolarHBondContact O-ND2 3.04Å
215R98.4Very high97.3Very high45 Ų4562.1 Ų62.117%0.1732%0.321CS..G310 helixtrans-68.7-17.9179.9-60.1172-62.9-774.7111.9E186 A211 G212 G213 N217 I218 Y221 R227E186-R215 IonicContact OE1-CZ 3.95Å; E186-R215 VanDerWaalsContact OE1-CZ 3.28Å; E186-R215 IonicContact OE1-NE 3.58Å; E186-R215 PolarHBondContact OE1-NE 2.9Å; E186-R215 IonicContact OE1-NH2 2.71Å; E186-R215 PolarHBondContact OE1-NH2 3.06Å; E186-R215 IonicContact OE2-NE 3.38Å; A211-R215 HydrophobicContact CB-CB 4.18Å; G212-R215 WeakPolarHBondContact O-CB 3.5Å; G212-R215 PolarHBondContact O-N 2.98Å; G212-R215 PolarHBondContact O-NE 2.8Å; G212-R215 PolarHBondContact O-NH1 2.84Å; G212-R215 PolarHBondContact O-NH2 3.16Å; G212-R215 VanDerWaalsContact O-NH2 3.13Å; G213-R215 PolarHBondContact O-N 3.4Å; G213-R215 VanDerWaalsContact O-N 3.13Å; R215-N217 PolarHBondContact O-N 2.78Å; R215-N217 VanDerWaalsContact O-N 3.12Å; R215-I218 WeakPolarHBondContact O-CB 3.42Å; R215-I218 PolarHBondContact O-N 2.79Å; R215-Y221 HydrophobicContact CB-CD2 4.27Å; R215-Y221 HydrophobicContact CB-CE2 4.17Å; R215-Y221 WeakPolarHBondContact CD-OH 3.22Å; R215-Y221 HydrophobicContact CG-CE2 4.23Å; R215-R227 PolarHBondContact NH2-O 3.4Å; R215-R227 VanDerWaalsContact NH2-O 3.14Å
216T97.7Very high97.4Very high41 Ų4165.3 Ų65.325%0.25233%0.331SS..G310 helixtrans-57.4-20.2170.659.30000113.2A211 G213 D214 I218 L235A211-T216 HydrophobicContact CB-CG2 4.33Å; A211-T216 WeakPolarHBondContact O-CG2 3.39Å; G213-T216 WeakPolarHBondContact O-CB 3.27Å; G213-T216 WeakPolarHBondContact O-CG2 3.3Å; G213-T216 PolarHBondContact O-N 2.81Å; G213-T216 VanDerWaalsContact O-N 3.17Å; G213-T216 PolarHBondContact O-OG1 3.39Å; D214-T216 PolarHBondContact O-N 3.04Å; T216-I218 VanDerWaalsContact C-N 3.28Å; T216-I218 PolarHBondContact O-N 2.83Å; T216-L235 HydrophobicContact CG2-CB 3.73Å
217N97.6Very high97.5Very high129 Ų12969.8 Ų69.869%0.6935%0.348SS*.G310 helixtrans-81.1-2.4175.8-60.1-58.7000113.8D214 R215D214-N217 WeakPolarHBondContact O-CB 3.44Å; D214-N217 PolarHBondContact O-N 2.82Å; D214-N217 VanDerWaalsContact O-N 3.13Å; D214-N217 PolarHBondContact O-ND2 3.04Å; R215-N217 PolarHBondContact O-N 2.78Å; R215-N217 VanDerWaalsContact O-N 3.12Å
218I97.8Very high97.7Very high90 Ų9065.9 Ų65.946%0.46232%0.322SS..  trans-100105.5178-58168.8000108.4R215 T216 H220 Y221R215-I218 WeakPolarHBondContact O-CB 3.42Å; R215-I218 PolarHBondContact O-N 2.79Å; T216-I218 VanDerWaalsContact C-N 3.28Å; T216-I218 PolarHBondContact O-N 2.83Å; I218-H220 PolarHBondContact O-N 2.86Å; I218-Y221 HydrophobicContact CB-CD2 4.46Å; I218-Y221 HydrophobicContact CD1-CD2 4Å; I218-Y221 HydrophobicContact CG2-CD2 4.43Å; I218-Y221 WeakPolarHBondContact O-CB 3.4Å; I218-Y221 PolarHBondContact O-N 3.07Å; I218-Y221 VanDerWaalsContact O-N 3.16Å
219I95.9Very high97.7Very high143 Ų14369.2 Ų69.273%0.73334%0.34SS*.THydrogen-bonded Turntrans-53.5-48.6-170.5-60.1172.2000112.7
220H95.1Very high97.6Very high153 Ų15374.1 Ų74.171%0.70837%0.366SS*.THydrogen-bonded Turntrans-109.152.8177.4-63155.1000111.4I218 M222I218-H220 PolarHBondContact O-N 2.86Å; H220-M222 PolarHBondContact O-N 3.33Å; H220-M222 VanDerWaalsContact O-N 3.09Å
221Y97.8Very high97.5Very high14 Ų1475.1 Ų75.16%0.05538%0.376CS..  trans-68.6105.2175-179.2-100.6000110.9E186 V209 V210 A211 R215 I218 K223 N224E186-Y221 VanDerWaalsContact OE2-CE1 3.23Å; E186-Y221 WeakPolarHBondContact OE2-CE1 3.44Å; E186-Y221 PolarHBondContact OE2-OH 2.99Å; V209-Y221 WeakPolarHBondContact CG1-O 3.21Å; V210-Y221 VanDerWaalsContact O-CE1 3.3Å; V210-Y221 WeakPolarHBondContact O-CE1 3.5Å; A211-Y221 HydrophobicContact CB-CD1 3.7Å; A211-Y221 HydrophobicContact CB-CE1 4.33Å; A211-Y221 HydrophobicContact CB-CG 4.17Å; R215-Y221 HydrophobicContact CB-CD2 4.27Å; R215-Y221 HydrophobicContact CB-CE2 4.17Å; R215-Y221 WeakPolarHBondContact CD-OH 3.22Å; R215-Y221 HydrophobicContact CG-CE2 4.23Å; I218-Y221 HydrophobicContact CB-CD2 4.46Å; I218-Y221 HydrophobicContact CD1-CD2 4Å; I218-Y221 HydrophobicContact CG2-CD2 4.43Å; I218-Y221 WeakPolarHBondContact O-CB 3.4Å; I218-Y221 PolarHBondContact O-N 3.07Å; I218-Y221 VanDerWaalsContact O-N 3.16Å; Y221-K223 HydrophobicContact CE2-CB 3.96Å; Y221-N224 WeakPolarHBondContact CD1-OD1 3.47Å; Y221-N224 VanDerWaalsContact CE1-N 3.33Å; Y221-N224 PolarHBondContact O-OD1 3.13Å
222M94.2Very high97.4Very high117 Ų11777.4 Ų77.458%0.57639%0.387SS*.  trans-109.9-1.6-176.1-65.4178.464.400114P207 H220P207-M222 HydrophobicContact CB-CE 3.74Å; P207-M222 HydrophobicContact CG-CE 3.94Å; H220-M222 PolarHBondContact O-N 3.33Å; H220-M222 VanDerWaalsContact O-N 3.09Å
223K97.8Very high97.4Very high157 Ų15780.8 Ų80.868%0.68341%0.405SS*.  trans-70.9-39.6-176.4-72.6-172.3178.1-178.20111.9Y221 N225Y221-K223 HydrophobicContact CE2-CB 3.96Å; K223-N225 WeakPolarHBondContact O-CB 3.35Å; K223-N225 PolarHBondContact O-N 3Å
224N97.7Very high97.4Very high2 Ų280.2 Ų80.21%0.01140%0.399CS..  trans43.244.8174.2-56.3-15.9000113.5E186 T187 Q190 P208 V210 Y221E186-N224 CarbonylContact C-O 3.56Å; E186-N224 HydrophobicContact CB-CB 4.17Å; E186-N224 WeakPolarHBondContact OE2-CA 3.44Å; T187-N224 VanDerWaalsContact CA-O 3.24Å; T187-N224 WeakPolarHBondContact CA-O 3.33Å; T187-N224 WeakPolarHBondContact CB-O 3.5Å; T187-N224 PolarHBondContact N-O 3.34Å; T187-N224 PolarHBondContact OG1-O 3.34Å; Q190-N224 PolarHBondContact OE1-ND2 3.18Å; P208-N224 PolarHBondContact O-ND2 3.27Å; V210-N224 HydrophobicContact CB-CB 4.39Å; V210-N224 PolarHBondContact N-OD1 2.76Å; V210-N224 PolarHBondContact O-OD1 2.68Å; Y221-N224 WeakPolarHBondContact CD1-OD1 3.47Å; Y221-N224 VanDerWaalsContact CE1-N 3.33Å; Y221-N224 PolarHBondContact O-OD1 3.13Å
225N98.3Very high97.5Very high94 Ų9475.6 Ų75.650%0.50337%0.373SS..  trans-131.28.8-169.567.2-4.3000114.4E186 T187 K223E186-N225 PolarHBondContact OE2-N 3.1Å; T187-N225 WeakPolarHBondContact OG1-CA 3.29Å; K223-N225 WeakPolarHBondContact O-CB 3.35Å; K223-N225 PolarHBondContact O-N 3Å
226M98.6Very high97.5Very high91 Ų9173.4 Ų73.445%0.44837%0.365SS..SBendtrans-97.3155178-60.6-60.5-67.500111.2T185 E186T185-M226 WeakPolarHBondContact CA-O 3.5Å; E186-M226 WeakPolarHBondContact CG-O 3.44Å; E186-M226 PolarHBondContact N-O 3.35Å; E186-M226 WeakPolarHBondContact OE2-CB 3.37Å; E186-M226 PolarHBondContact OE2-N 3.25Å
227R98.6Very high97.6Very high149 Ų14973.2 Ų73.256%0.56236%0.363SS*.BIsolated β-bridgetrans-70.4146164.5176.8175.3157.2153.85109.5R215 D229R215-R227 PolarHBondContact NH2-O 3.4Å; R215-R227 VanDerWaalsContact NH2-O 3.14Å; R227-D229 IonicContact CZ-OD1 3.53Å; R227-D229 IonicContact NE-OD1 2.78Å; R227-D229 PolarHBondContact NE-OD1 3.21Å; R227-D229 IonicContact NH2-OD1 3.53Å
228I98.4Very high97.6Very high0 Ų067.1 Ų67.10%033%0.33CS..  trans-109.8118.7174.3-40.6178.5000108.7G183 I184 E186 E232 V234 V255G183-I228 WeakPolarHBondContact CA-O 3.44Å; G183-I228 PolarHBondContact N-O 3.24Å; I184-I228 HydrophobicContact CG2-CB 4.44Å; I184-I228 HydrophobicContact CG2-CD1 4.34Å; I184-I228 PolarHBondContact O-N 2.94Å; E186-I228 HydrophobicContact CG-CD1 3.81Å; E186-I228 HydrophobicContact CG-CG1 3.78Å; I228-E232 WeakPolarHBondContact CA-OE2 3.44Å; I228-E232 HydrophobicContact CG2-CB 3.99Å; I228-E232 WeakPolarHBondContact CG2-OE2 3.49Å; I228-V234 HydrophobicContact CD1-CB 3.87Å; I228-V234 HydrophobicContact CD1-CG2 3.52Å; I228-V255 HydrophobicContact CB-CG1 4.38Å; I228-V255 HydrophobicContact CB-CG2 4.11Å; I228-V255 HydrophobicContact CG2-CB 4.19Å; I228-V255 HydrophobicContact CG2-CG1 4.25Å; I228-V255 HydrophobicContact CG2-CG2 3.26Å
229D98Very high97.6Very high71 Ų7162.8 Ų62.838%0.3831%0.308SS..  trans-91.1165.8-168.3-75.7-39.2000113.4R227 G231 E232R227-D229 IonicContact CZ-OD1 3.53Å; R227-D229 IonicContact NE-OD1 2.78Å; R227-D229 PolarHBondContact NE-OD1 3.21Å; R227-D229 IonicContact NH2-OD1 3.53Å; D229-G231 PolarHBondContact O-N 2.96Å; D229-E232 HydrophobicContact CB-CG 4.32Å; D229-E232 PolarHBondContact N-OE2 3.44Å; D229-E232 WeakPolarHBondContact O-CB 3.39Å; D229-E232 PolarHBondContact O-N 3.35Å
230N97.6Very high97.6Very high112 Ų11256 Ų5660%0.59927%0.273SS*.THydrogen-bonded Turntrans-60.9127.1-178.9-176.521.8000111.1P182 E232 N256P182-N230 HydrophobicContact CB-CB 3.79Å; P182-N230 HydrophobicContact CG-CB 4.07Å; N230-E232 VanDerWaalsContact C-N 3.31Å; N230-N256 WeakPolarHBondContact OD1-CB 3.49Å; N230-N256 PolarHBondContact OD1-ND2 3.05Å; N230-N256 VanDerWaalsContact OD1-ND2 3.07Å
231G95.3Very high97.7Very high20 Ų2051 Ų5121%0.20625%0.248CC..THydrogen-bonded Turntrans82.76.8178.100000114.6D229 K260D229-G231 PolarHBondContact O-N 2.96Å; G231-K260 PolarHBondContact O-NZ 3.38Å
232E97.4Very high97.7Very high48 Ų4852.6 Ų52.622%0.22426%0.255CS..  trans-81.4157.1161.5-62.7-170.5133.700110.9G213 I228 D229 N230 V255G213-E232 WeakPolarHBondContact CA-OE1 3.4Å; I228-E232 WeakPolarHBondContact CA-OE2 3.44Å; I228-E232 HydrophobicContact CG2-CB 3.99Å; I228-E232 WeakPolarHBondContact CG2-OE2 3.49Å; D229-E232 HydrophobicContact CB-CG 4.32Å; D229-E232 PolarHBondContact N-OE2 3.44Å; D229-E232 WeakPolarHBondContact O-CB 3.39Å; D229-E232 PolarHBondContact O-N 3.35Å; N230-E232 VanDerWaalsContact C-N 3.31Å; E232-V255 PolarHBondContact O-N 3.24Å
233L98.1Very high97.7Very high72 Ų7251 Ų5138%0.37725%0.249SC..EExtended strand (participates in β ladder)trans-88.2156.9162-59.1-179.3000109.5G212 G213 T252 W253 P254 L259G212-L233 CarbonylContact C-O 3.51Å; G212-L233 WeakPolarHBondContact CA-O 3.44Å; G213-L233 PolarHBondContact N-O 2.89Å; L233-T252 HydrophobicContact CB-CG2 3.92Å; L233-T252 HydrophobicContact CD1-CG2 3.96Å; L233-T252 HydrophobicContact CG-CG2 4.45Å; L233-W253 WeakPolarHBondContact CA-O 3.45Å; L233-P254 HydrophobicContact CD2-CB 3.94Å; L233-L259 HydrophobicContact CD2-CD2 3.78Å
234V98.6Very high97.6Very high0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-116.5131.5161.462.50000109L189 V210 A211 I228 V236 T252 W253 V255L189-V234 HydrophobicContact CD2-CG1 4.39Å; L189-V234 HydrophobicContact CD2-CG2 3.95Å; V210-V234 HydrophobicContact CG1-CG2 4.14Å; A211-V234 CarbonylContact O-C 3.56Å; A211-V234 WeakPolarHBondContact O-CA 3.26Å; I228-V234 HydrophobicContact CD1-CB 3.87Å; I228-V234 HydrophobicContact CD1-CG2 3.52Å; V234-V236 HydrophobicContact CG2-CG2 3.95Å; V234-T252 CarbonylContact O-C 3.51Å; V234-T252 WeakPolarHBondContact O-CA 3.26Å; V234-T252 WeakPolarHBondContact O-CG2 3.47Å; V234-W253 HydrophobicContact CG1-CD2 3.69Å; V234-W253 HydrophobicContact CG1-CE3 4.35Å; V234-W253 HydrophobicContact CG1-CG 3.99Å; V234-W253 HydrophobicContact CG1-CZ2 3.83Å; V234-W253 PolarHBondContact N-O 2.76Å; V234-W253 PolarHBondContact O-N 3.5Å; V234-V255 HydrophobicContact CB-CG2 3.87Å; V234-V255 HydrophobicContact CG1-CG2 3.93Å
235L98.7Very high97.6Very high39 Ų3947.2 Ų47.220%0.20424%0.242CC..EExtended strand (participates in β ladder)trans-99.4127.8166-178.5148.7000108V209 A211 T216 D237 T250 T252V209-L235 HydrophobicContact CG1-CD2 4.06Å; A211-L235 PolarHBondContact N-O 3.01Å; A211-L235 PolarHBondContact O-N 2.87Å; T216-L235 HydrophobicContact CG2-CB 3.73Å; L235-D237 HydrophobicContact CD2-CB 4.42Å; L235-T250 HydrophobicContact CD1-CG2 4.1Å; L235-T250 HydrophobicContact CD2-CG2 3.82Å; L235-T250 HydrophobicContact CG-CG2 3.83Å; L235-T252 HydrophobicContact CB-CG2 4.47Å
236V98.7Very high97.6Very high0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-120.8122.2172.91760000109.2L173 L189 I193 V209 V210 V234 A238 T250 R251 W253L173-V236 HydrophobicContact CD2-CB 4.27Å; L173-V236 HydrophobicContact CD2-CG1 3.63Å; L189-V236 HydrophobicContact CD2-CG2 4.04Å; I193-V236 HydrophobicContact CD1-CG1 3.58Å; I193-V236 HydrophobicContact CD1-CG2 4.34Å; V209-V236 CarbonylContact O-C 3.53Å; V209-V236 VanDerWaalsContact O-CA 3.23Å; V209-V236 WeakPolarHBondContact O-CA 3.37Å; V210-V236 HydrophobicContact CG1-CG2 4.14Å; V210-V236 HydrophobicContact CG2-CG1 4.4Å; V210-V236 HydrophobicContact CG2-CG2 4.29Å; V234-V236 HydrophobicContact CG2-CG2 3.95Å; V236-A238 HydrophobicContact CG1-CB 4.01Å; V236-T250 CarbonylContact O-C 3.5Å; V236-T250 VanDerWaalsContact O-CA 3.25Å; V236-T250 WeakPolarHBondContact O-CA 3.39Å; V236-R251 PolarHBondContact N-O 3.43Å; V236-R251 PolarHBondContact O-N 3.19Å; V236-W253 HydrophobicContact CB-CH2 3.61Å; V236-W253 HydrophobicContact CB-CZ3 3.72Å; V236-W253 HydrophobicContact CG1-CH2 4.36Å; V236-W253 HydrophobicContact CG2-CH2 3.24Å; V236-W253 HydrophobicContact CG2-CZ2 3.96Å; V236-W253 HydrophobicContact CG2-CZ3 3.74Å
237D98.6Very high97.6Very high37 Ų3741.4 Ų41.420%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-111.4111.4168.9-159.59.9000108.9Y206 P208 V209 L235 T250Y206-D237 PolarHBondContact OH-OD1 3.05Å; P208-D237 CarbonylContact C-O 3.52Å; P208-D237 VanDerWaalsContact CA-O 3.26Å; P208-D237 WeakPolarHBondContact CA-O 3.27Å; V209-D237 HydrophobicContact CB-CB 3.79Å; V209-D237 HydrophobicContact CG2-CB 4.2Å; V209-D237 PolarHBondContact N-O 3.42Å; V209-D237 PolarHBondContact O-N 3.36Å; L235-D237 HydrophobicContact CD2-CB 4.42Å; D237-T250 HydrophobicContact CB-CG2 4.09Å; D237-T250 VanDerWaalsContact CG-OG1 3.22Å; D237-T250 PolarHBondContact OD1-OG1 3.33Å
238A98.1Very high97.6Very high0 Ų039.7 Ų39.70%022%0.217CC..EExtended strand (participates in β ladder)trans-151.5144.6-173.500000112.8I193 M197 Y206 P208 V236 I249I193-A238 HydrophobicContact CG2-CB 4.16Å; M197-A238 HydrophobicContact CE-CB 3.74Å; Y206-A238 WeakPolarHBondContact OH-CA 3.44Å; Y206-A238 PolarHBondContact OH-N 3.22Å; Y206-A238 PolarHBondContact OH-O 3.48Å; P208-A238 HydrophobicContact CB-CB 4.01Å; P208-A238 HydrophobicContact CG-CB 4.37Å; V236-A238 HydrophobicContact CG1-CB 4.01Å; A238-I249 PolarHBondContact N-O 3.16Å; A238-I249 PolarHBondContact O-N 3.42Å
239G97.8Very high97.6Very high0 Ų040.5 Ų40.50%022%0.221CC..  trans-135.2139.6-176.200000113G205 Y206 S247G205-G239 PolarHBondContact N-O 2.98Å; Y206-G239 PolarHBondContact OH-N 2.91Å; G239-S247 WeakPolarHBondContact CA-O 3.33Å
240C96.4Very high97.6Very high0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-88.1145.3166.6-74.30000110.6S165 A168 A169 M197 C202 S203 T246 S247S165-C240 WeakPolarHBondContact O-CB 3.41Å; A168-C240 HydrophobicContact CB-CB 4.39Å; A169-C240 VanDerWaalsContact CA-SG 3.54Å; A169-C240 HydrophobicContact CB-CB 4.14Å; A169-C240 PolarHBondContact N-SG 3.25Å; A169-C240 VanDerWaalsContact N-SG 3.36Å; M197-C240 WeakPolarHBondContact CG-SG 3.44Å; C202-C240 HydrophobicContact CB-CB 3.72Å; S203-C240 CarbonylContact O-C 3.57Å; C240-T246 CarbonylContact O-C 3.55Å; C240-T246 WeakPolarHBondContact O-CA 3.18Å; C240-S247 WeakPolarHBondContact CB-OG 3.43Å; C240-S247 PolarHBondContact N-OG 3.31Å; C240-S247 PolarHBondContact O-N 3.06Å; C240-S247 PolarHBondContact O-OG 3.45Å
241R97.4Very high97.6Very high49 Ų4940.8 Ų40.819%0.18522%0.216CC..EExtended strand (participates in β ladder)trans-114.4122.1165.7179.4178.688.4129.9-1.5111.5H10 S203 Y245H10-R241 PolarHBondContact CD2-NH1 3.48Å; H10-R241 PolarHBondContact CD2-NH2 3.42Å; H10-R241 VanDerWaalsContact CD2-NH2 3.31Å; H10-R241 PolarHBondContact CE1-NH1 3.34Å; H10-R241 VanDerWaalsContact NE2-CZ 3.25Å; H10-R241 PolarHBondContact NE2-NH1 3.43Å; S203-R241 PolarHBondContact N-O 2.89Å; S203-R241 PolarHBondContact O-N 3.2Å; S203-R241 WeakPolarHBondContact OG-CB 3.22Å; S203-R241 PolarHBondContact OG-NE 2.89Å; S203-R241 PolarHBondContact OG-O 2.84Å; S203-R241 VanDerWaalsContact OG-O 3.07Å; R241-Y245 CarbonylContact C-O 3.57Å; R241-Y245 VanDerWaalsContact CA-O 3.31Å; R241-Y245 WeakPolarHBondContact CA-O 3.42Å
242F97.4Very high97.8Very high46 Ų4643.4 Ų43.420%0.20223%0.227CC..EExtended strand (participates in β ladder)trans-127.1121-180-174.2-105.4000110.1Q161 T164 G244 Y245Q161-F242 VanDerWaalsContact NE2-CE1 3.35Å; T164-F242 HydrophobicContact CG2-CD1 3.63Å; T164-F242 HydrophobicContact CG2-CD2 4.2Å; T164-F242 HydrophobicContact CG2-CE1 3.61Å; T164-F242 HydrophobicContact CG2-CE2 4.19Å; T164-F242 HydrophobicContact CG2-CG 3.93Å; T164-F242 HydrophobicContact CG2-CZ 3.91Å; F242-G244 PolarHBondContact O-N 3.16Å; F242-G244 VanDerWaalsContact O-N 3.15Å; F242-Y245 PolarHBondContact N-O 3.49Å; F242-Y245 PolarHBondContact O-N 2.92Å
243N94.9Very high97.8Very high84 Ų8442 Ų4245%0.44922%0.22SC..THydrogen-bonded Turntrans46.542.6-177.9-68.53.5000114.1Q161 Y245Q161-N243 PolarHBondContact NE2-ND2 3.3Å; N243-Y245 VanDerWaalsContact C-N 3.29Å; N243-Y245 VanDerWaalsContact O-CD2 3.22Å; N243-Y245 WeakPolarHBondContact O-CD2 3.45Å; N243-Y245 WeakPolarHBondContact O-CE2 3.35Å; N243-Y245 PolarHBondContact O-N 3.41Å
244G95Very high97.8Very high37 Ų3739.5 Ų39.538%0.38121%0.208SC..THydrogen-bonded Turntrans84-10.3-179.500000115.5F242F242-G244 PolarHBondContact O-N 3.16Å; F242-G244 VanDerWaalsContact O-N 3.15Å
245Y97.8Very high97.8Very high43 Ų4339.5 Ų39.517%0.16921%0.208CC..EExtended strand (participates in β ladder)trans-96.2131177.9-64.4-87.7000110.9E158 Q161 L162 R241 F242 N243E158-Y245 HydrophobicContact CB-CD1 4.48Å; E158-Y245 HydrophobicContact CB-CE1 3.71Å; E158-Y245 HydrophobicContact CG-CE1 3.83Å; E158-Y245 VanDerWaalsContact CG-OH 3.25Å; E158-Y245 WeakPolarHBondContact CG-OH 3.35Å; E158-Y245 PolarHBondContact OE1-OH 3.26Å; Q161-Y245 HydrophobicContact CB-CD2 3.41Å; Q161-Y245 VanDerWaalsContact CB-CD2 3.41Å; Q161-Y245 HydrophobicContact CB-CE2 4.06Å; Q161-Y245 HydrophobicContact CB-CG 3.84Å; Q161-Y245 HydrophobicContact CG-CD2 3.98Å; Q161-Y245 HydrophobicContact CG-CE2 4.18Å; L162-Y245 HydrophobicContact CD1-CD1 4.25Å; L162-Y245 HydrophobicContact CD2-CD1 4.12Å; L162-Y245 HydrophobicContact CD2-CG 4.44Å; L162-Y245 HydrophobicContact CG-CD1 3.78Å; L162-Y245 HydrophobicContact CG-CG 4.18Å; R241-Y245 CarbonylContact C-O 3.57Å; R241-Y245 VanDerWaalsContact CA-O 3.31Å; R241-Y245 WeakPolarHBondContact CA-O 3.42Å; F242-Y245 PolarHBondContact N-O 3.49Å; F242-Y245 PolarHBondContact O-N 2.92Å; N243-Y245 VanDerWaalsContact C-N 3.29Å; N243-Y245 VanDerWaalsContact O-CD2 3.22Å; N243-Y245 WeakPolarHBondContact O-CD2 3.45Å; N243-Y245 WeakPolarHBondContact O-CE2 3.35Å; N243-Y245 PolarHBondContact O-N 3.41Å
246T98.1Very high97.7Very high59 Ų5939.8 Ų39.836%0.36221%0.21SC..EExtended strand (participates in β ladder)trans-112133-173.3-58.40000110.5Y206 C240Y206-T246 HydrophobicContact CD1-CG2 4.22Å; Y206-T246 HydrophobicContact CE1-CG2 4.44Å; C240-T246 CarbonylContact O-C 3.55Å; C240-T246 WeakPolarHBondContact O-CA 3.18Å
247S98.4Very high97.6Very high3 Ų342.9 Ų42.92%0.02124%0.242CC..  trans-89.6157165.352.70000110.1S165 A169 G239 C240S165-S247 PolarHBondContact O-OG 2.94Å; S165-S247 WeakPolarHBondContact OG-CB 3.4Å; S165-S247 PolarHBondContact OG-N 3.38Å; A169-S247 WeakPolarHBondContact CB-OG 3.34Å; G239-S247 WeakPolarHBondContact CA-O 3.33Å; C240-S247 WeakPolarHBondContact CB-OG 3.43Å; C240-S247 PolarHBondContact N-OG 3.31Å; C240-S247 PolarHBondContact O-N 3.06Å; C240-S247 PolarHBondContact O-OG 3.45Å
248D98.5Very high97.4Very high113 Ų11347.5 Ų47.560%0.60426%0.264SS*.  trans-144.6112.4-179.2-174.32000108.3Y206Y206-D248 HydrophobicContact CE1-CB 4.07Å; Y206-D248 VanDerWaalsContact CZ-OD1 3.31Å; Y206-D248 WeakPolarHBondContact OH-CA 3.45Å; Y206-D248 PolarHBondContact OH-OD1 3.27Å
249I98.2Very high97.2Very high17 Ų1753.8 Ų53.89%0.08730%0.297CS..EExtended strand (participates in β ladder)trans-142.3118.5-170.4-51.6-179.2000110.2V166 A169 V170 L173 Y206 A238 R251V166-I249 HydrophobicContact CG1-CD1 4.28Å; A169-I249 HydrophobicContact CB-CD1 3.73Å; A169-I249 HydrophobicContact CB-CG1 4.48Å; V170-I249 HydrophobicContact CG2-CD1 3.69Å; L173-I249 HydrophobicContact CD1-CB 4Å; L173-I249 HydrophobicContact CD1-CG2 3.61Å; Y206-I249 PolarHBondContact OH-N 3.21Å; A238-I249 PolarHBondContact N-O 3.16Å; A238-I249 PolarHBondContact O-N 3.42Å; I249-R251 HydrophobicContact CG2-CG 4.36Å
250T98.6Very high96.5Very high59 Ų5959.7 Ų59.736%0.36232%0.322SS..EExtended strand (participates in β ladder)trans-100135.9168.2-36.40000111.7L235 V236 D237L235-T250 HydrophobicContact CD1-CG2 4.1Å; L235-T250 HydrophobicContact CD2-CG2 3.82Å; L235-T250 HydrophobicContact CG-CG2 3.83Å; V236-T250 CarbonylContact O-C 3.5Å; V236-T250 VanDerWaalsContact O-CA 3.25Å; V236-T250 WeakPolarHBondContact O-CA 3.39Å; D237-T250 HydrophobicContact CB-CG2 4.09Å; D237-T250 VanDerWaalsContact CG-OG1 3.22Å; D237-T250 PolarHBondContact OD1-OG1 3.33Å
251R98.5Very high95.8Very high131 Ų13164.9 Ų64.949%0.49436%0.358SS..EExtended strand (participates in β ladder)trans-138.2146168.8-71.4-64-179.3-85.21.2110.5L173 M177 V236 I249 W253L173-R251 HydrophobicContact CD1-CG 4.24Å; M177-R251 HydrophobicContact CE-CB 3.84Å; M177-R251 HydrophobicContact CE-CG 4.13Å; V236-R251 PolarHBondContact N-O 3.43Å; V236-R251 PolarHBondContact O-N 3.19Å; I249-R251 HydrophobicContact CG2-CG 4.36Å; R251-W253 HydrophobicContact CB-CE3 4.01Å; R251-W253 HydrophobicContact CB-CZ3 3.86Å; R251-W253 WeakPolarHBondContact O-CZ3 3.36Å
252T98.4Very high94.6Very high74 Ų7471.2 Ų71.245%0.45439%0.387SS..EExtended strand (participates in β ladder)trans-123.5132.7174.8-53.80000109.3L233 V234 L235L233-T252 HydrophobicContact CB-CG2 3.92Å; L233-T252 HydrophobicContact CD1-CG2 3.96Å; L233-T252 HydrophobicContact CG-CG2 4.45Å; V234-T252 CarbonylContact O-C 3.51Å; V234-T252 WeakPolarHBondContact O-CA 3.26Å; V234-T252 WeakPolarHBondContact O-CG2 3.47Å; L235-T252 HydrophobicContact CB-CG2 4.47Å
253W98.2Very high93Very high20 Ų2074.1 Ų74.18%0.07641%0.411CS..EExtended strand (participates in β ladder)trans-144.5154.8178.663.196.5000112.2L173 M177 T180 L189 L233 V234 V236 R251L173-W253 HydrophobicContact CD2-CH2 4.41Å; M177-W253 HydrophobicContact CE-CD2 3.98Å; M177-W253 HydrophobicContact CE-CE3 3.49Å; M177-W253 VanDerWaalsContact CE-CE3 3.49Å; M177-W253 HydrophobicContact CE-CZ3 3.83Å; M177-W253 HydrophobicContact CG-CD2 3.77Å; M177-W253 HydrophobicContact CG-CE3 4.13Å; M177-W253 HydrophobicContact CG-CG 4.14Å; M177-W253 HydrophobicContact CG-CH2 4.31Å; M177-W253 HydrophobicContact CG-CZ2 4Å; M177-W253 HydrophobicContact CG-CZ3 4.39Å; T180-W253 PolarHBondContact OG1-NE1 3.39Å; T180-W253 VanDerWaalsContact OG1-NE1 3.1Å; L189-W253 HydrophobicContact CD2-CZ2 3.97Å; L233-W253 WeakPolarHBondContact CA-O 3.45Å; V234-W253 HydrophobicContact CG1-CD2 3.69Å; V234-W253 HydrophobicContact CG1-CE3 4.35Å; V234-W253 HydrophobicContact CG1-CG 3.99Å; V234-W253 HydrophobicContact CG1-CZ2 3.83Å; V234-W253 PolarHBondContact N-O 2.76Å; V234-W253 PolarHBondContact O-N 3.5Å; V236-W253 HydrophobicContact CB-CH2 3.61Å; V236-W253 HydrophobicContact CB-CZ3 3.72Å; V236-W253 HydrophobicContact CG1-CH2 4.36Å; V236-W253 HydrophobicContact CG2-CH2 3.24Å; V236-W253 HydrophobicContact CG2-CZ2 3.96Å; V236-W253 HydrophobicContact CG2-CZ3 3.74Å; R251-W253 HydrophobicContact CB-CE3 4.01Å; R251-W253 HydrophobicContact CB-CZ3 3.86Å; R251-W253 WeakPolarHBondContact O-CZ3 3.36Å
254P98Very high91.3Very high18 Ų1877.1 Ų77.112%0.11743%0.427CS..EExtended strand (participates in β ladder)trans-70.9132.2174.429.7-35.5000110.8L233 N256 G257 M258 L259L233-P254 HydrophobicContact CD2-CB 3.94Å; P254-N256 PolarHBondContact O-N 2.72Å; P254-G257 PolarHBondContact O-N 3.2Å; P254-M258 VanDerWaalsContact CB-C 3.48Å; P254-M258 WeakPolarHBondContact CB-O 3.48Å; P254-M258 VanDerWaalsContact CG-C 3.45Å; P254-L259 HydrophobicContact CB-CD2 4.34Å; P254-L259 HydrophobicContact CG-CD2 4.07Å; P254-L259 HydrophobicContact CG-CG 4.1Å
255V98Very high89.6Confident1 Ų180.6 Ų80.61%0.00644%0.442CS..THydrogen-bonded Turntrans-67.8-21.4-175.9174.80000112.5T180 Q181 P182 I184 I228 E232 V234T180-V255 HydrophobicContact CG2-CB 4.19Å; T180-V255 HydrophobicContact CG2-CG1 3.91Å; T180-V255 HydrophobicContact CG2-CG2 4.33Å; Q181-V255 CarbonylContact C-O 3.55Å; Q181-V255 WeakPolarHBondContact CA-O 3.48Å; Q181-V255 WeakPolarHBondContact O-CG1 3.41Å; P182-V255 WeakPolarHBondContact CD-O 3.26Å; I184-V255 HydrophobicContact CG2-CG1 4.24Å; I228-V255 HydrophobicContact CB-CG1 4.38Å; I228-V255 HydrophobicContact CB-CG2 4.11Å; I228-V255 HydrophobicContact CG2-CB 4.19Å; I228-V255 HydrophobicContact CG2-CG1 4.25Å; I228-V255 HydrophobicContact CG2-CG2 3.26Å; E232-V255 PolarHBondContact O-N 3.24Å; V234-V255 HydrophobicContact CB-CG2 3.87Å; V234-V255 HydrophobicContact CG1-CG2 3.93Å
256N97.2Very high87.6Confident45 Ų4585.5 Ų85.524%0.24147%0.472CS..THydrogen-bonded Turntrans-97.47.8174.367.55.6000113.9P182 N230 P254 M258P182-N256 HydrophobicContact CG-CB 3.79Å; N230-N256 WeakPolarHBondContact OD1-CB 3.49Å; N230-N256 PolarHBondContact OD1-ND2 3.05Å; N230-N256 VanDerWaalsContact OD1-ND2 3.07Å; P254-N256 PolarHBondContact O-N 2.72Å; N256-M258 VanDerWaalsContact C-N 3.28Å; N256-M258 PolarHBondContact O-N 3.36Å; N256-M258 PolarHBondContact OD1-N 3.07Å; N256-M258 PolarHBondContact OD1-O 3.07Å; N256-M258 VanDerWaalsContact OD1-O 3.05Å
257G96.5Very high85.5Confident65 Ų6588.7 Ų88.767%0.6749%0.491SS*.SBendtrans77.50.4-179.400000115.7P254P254-G257 PolarHBondContact O-N 3.2Å
258M94.2Very high83.5Confident133 Ų13395.6 Ų95.666%0.65553%0.527SS*.  trans-127.2122.2-179.5-65.1-172.4-66.900112.2P254 N256 K260P254-M258 VanDerWaalsContact CB-C 3.48Å; P254-M258 WeakPolarHBondContact CB-O 3.48Å; P254-M258 VanDerWaalsContact CG-C 3.45Å; N256-M258 VanDerWaalsContact C-N 3.28Å; N256-M258 PolarHBondContact O-N 3.36Å; N256-M258 PolarHBondContact OD1-N 3.07Å; N256-M258 PolarHBondContact OD1-O 3.07Å; N256-M258 VanDerWaalsContact OD1-O 3.05Å; M258-K260 PolarHBondContact O-N 3.24Å
259L93Very high81.4Confident133 Ų13399.7 Ų99.770%0.69656%0.557SS**  trans-69.9127.9171-73.8173.5000109.3L233 P254 C261L233-L259 HydrophobicContact CD2-CD2 3.78Å; P254-L259 HydrophobicContact CB-CD2 4.34Å; P254-L259 HydrophobicContact CG-CD2 4.07Å; P254-L259 HydrophobicContact CG-CG 4.1Å; L259-C261 PolarHBondContact O-N 3.4Å
260K84.5Confident80.6Confident123 Ų123103.9 Ų103.954%0.53558%0.581SS.*  trans-71.7129.2172.3-73179178.9167.20109.3G231 M258 F262G231-K260 PolarHBondContact O-NZ 3.38Å; M258-K260 PolarHBondContact O-N 3.24Å; K260-F262 HydrophobicContact CB-CE2 4.33Å; K260-F262 PolarHBondContact O-N 3.38Å
261C80.7Confident79.6Confident110 Ų110106.2 Ų106.274%0.74359%0.592SS**  trans-74.3113.1163-170.30000107.9L259 C263L259-C261 PolarHBondContact O-N 3.4Å; C261-C263 VanDerWaalsContact C-N 3.33Å; C261-C263 PolarHBondContact O-N 3.09Å
262F71.8Confident78.6Confident181 Ų181104.8 Ų104.879%0.79460%0.598SS**  trans-82.786.7165.1-68.8-83.6000107.3K260 L264K260-F262 HydrophobicContact CB-CE2 4.33Å; K260-F262 PolarHBondContact O-N 3.38Å; F262-L264 PolarHBondContact O-N 2.99Å; F262-L264 VanDerWaalsContact O-N 3.16Å
263C64.4Low77.4Confident107 Ų107106.6 Ų106.672%0.72361%0.606SS**PPolyproline II helixtrans-61.8117.7159.3-65.50000106.2C261C261-C263 VanDerWaalsContact C-N 3.33Å; C261-C263 PolarHBondContact O-N 3.09Å
264L58.5Low76.1Confident148 Ų148112.1 Ų112.178%0.77564%0.639SS**PPolyproline II helixtrans-49.6134.8165.6-69.9168.8000106.9F262 N266F262-L264 PolarHBondContact O-N 2.99Å; F262-L264 VanDerWaalsContact O-N 3.16Å; L264-N266 PolarHBondContact O-N 3.05Å
265P59.4Low74.6Confident109 Ų109118.3 Ų118.371%0.70867%0.674SS**PPolyproline II helixtrans-52.6126.4172.421.7-29.6000106.7V267P265-V267 PolarHBondContact O-N 3.25Å
266N56.9Low73Confident146 Ų146126.7 Ų126.778%0.78172%0.722SS**  trans-48.1108.5172.5-81.2-24.7000106.5L264 N268L264-N266 PolarHBondContact O-N 3.05Å; N266-N268 PolarHBondContact O-N 3.35Å
267V54.6Low71.1Confident126 Ų126133 Ų13376%0.76476%0.759SS**  trans-7089.2168.7-176.60000103.5P265 T269P265-V267 PolarHBondContact O-N 3.25Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.14Å
268N55.8Low69Low148 Ų148138.7 Ų138.779%0.79177%0.766SS**  trans-63.699.5165.2-75.3-17.2000105.5N266N266-N268 PolarHBondContact O-N 3.35Å
269T54.1Low66.7Low200 Ų200139.2 Ų139.2100%1.22778%0.776SS**  trans-620158.951.60000110V267V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.14Å

Retrieved 269 of 269 residues in 98.2 ms (Link to these results)

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