A0A5K4F9H6_SCHMA Loading...

UEV domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F9H6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 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
1M41.8Very low62Low208 Ų20885.3 Ų85.3100%1.02547%0.472SS*.  0114.90-87.9179.7-102.900107.1
2S50.2Low64.1Low69 Ų6979 Ų7948%0.48344%0.437SS..  trans-60.3145.6172.7-179.20000108.9D4 E5S2-D4 PolarHBondContact O-N 3.18Å; S2-E5 PolarHBondContact O-N 3.31Å; S2-E5 VanDerWaalsContact O-N 3.08Å
3A53.2Low65.8Low35 Ų3579.2 Ų79.229%0.28946%0.456SS..THydrogen-bonded Turntrans-55.8-17.817700000112.7W6 L29A3-W6 PolarHBondContact O-NE1 2.88Å; A3-L29 HydrophobicContact CB-CD1 4.23Å
4D56Low67.5Low86 Ų8683.9 Ų83.946%0.4647%0.468SS..THydrogen-bonded Turntrans-84.7-20.3179.2-79.7-53.6000115.5S2 R22S2-D4 PolarHBondContact O-N 3.18Å; D4-R22 PolarHBondContact O-NH2 3.38Å; D4-R22 IonicContact OD1-CZ 3.75Å; D4-R22 IonicContact OD1-NH2 3.98Å; D4-R22 PolarHBondContact OD1-NH2 3Å
5E61.1Low69.2Low146 Ų14679.1 Ų79.168%0.68244%0.44SS*.THydrogen-bonded Turntrans-87.3-28.8-173.6-83.7-178.6139.800114S2S2-E5 PolarHBondContact O-N 3.31Å; S2-E5 VanDerWaalsContact O-N 3.08Å
6W63.6Low70.7Confident38 Ų3879.7 Ų79.714%0.14445%0.446CS..SBendtrans-79.2-26.5-169.772.8-83.8000112.9A3 S8 V25 L29 P37 V53A3-W6 PolarHBondContact O-NE1 2.88Å; W6-S8 PolarHBondContact O-N 2.98Å; W6-V25 HydrophobicContact CH2-CG1 4Å; W6-V25 HydrophobicContact CZ2-CG1 3.48Å; W6-V25 VanDerWaalsContact CZ2-CG1 3.48Å; W6-L29 HydrophobicContact CZ2-CD1 4.22Å; W6-P37 VanDerWaalsContact CD1-CG 3.49Å; W6-P37 HydrophobicContact CD2-CB 3.31Å; W6-P37 HydrophobicContact CD2-CG 3.32Å; W6-P37 HydrophobicContact CE3-CB 3.52Å; W6-P37 HydrophobicContact CE3-CG 4.01Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.57Å; W6-P37 HydrophobicContact CH2-CB 3.15Å; W6-P37 HydrophobicContact CH2-CG 4.22Å; W6-P37 HydrophobicContact CZ2-CB 2.93Å; W6-P37 HydrophobicContact CZ2-CG 3.6Å; W6-P37 HydrophobicContact CZ3-CB 3.45Å; W6-P37 VanDerWaalsContact CZ3-CB 3.45Å; W6-P37 HydrophobicContact CZ3-CG 4.41Å; W6-V53 HydrophobicContact CH2-CG1 3.58Å; W6-V53 HydrophobicContact CZ3-CG1 4Å
7I65.7Low72Confident6 Ų680.5 Ų80.53%0.03144%0.442CS..  trans-81.876172.4-49.8-173.3000108.7A9 L12 R22 V25I7-A9 PolarHBondContact O-N 2.98Å; I7-L12 HydrophobicContact CG2-CD1 3.22Å; I7-L12 HydrophobicContact CG2-CD2 4.21Å; I7-L12 HydrophobicContact CG2-CG 3.4Å; I7-L12 VanDerWaalsContact CG2-CG 3.4Å; I7-R22 HydrophobicContact CD1-CB 4.4Å; I7-R22 HydrophobicContact CD1-CG 4.22Å; I7-V25 HydrophobicContact CD1-CG1 4.33Å
8S66.5Low73.2Confident63 Ų6378.5 Ų78.544%0.44143%0.433SS..  trans-57.9140.9164.3179.80000108.6W6 K10 C11W6-S8 PolarHBondContact O-N 2.98Å; S8-K10 PolarHBondContact O-N 3.44Å; S8-K10 PolarHBondContact OG-N 3.29Å; S8-C11 WeakPolarHBondContact O-CB 3.4Å; S8-C11 PolarHBondContact O-N 2.78Å
9A67.4Low74.1Confident87 Ų8782 Ų8272%0.71945%0.446SS*.Hα-helixtrans-49.3-26.5170.800000112.1I7 C11 L12 A13I7-A9 PolarHBondContact O-N 2.98Å; A9-C11 PolarHBondContact O-N 2.95Å; A9-L12 PolarHBondContact O-N 3.5Å; A9-A13 PolarHBondContact O-N 3.23Å; A9-A13 VanDerWaalsContact O-N 3.16Å
10K74.9Confident75.1Confident179 Ų17980 Ų8078%0.77843%0.434SS*.Hα-helixtrans-65.4-32.8175.1-162.9173.5-176.91780114.1S8S8-K10 PolarHBondContact O-N 3.44Å; S8-K10 PolarHBondContact OG-N 3.29Å
11C81.9Confident76Confident21 Ų2176.1 Ų76.114%0.14241%0.414CS..Hα-helixtrans-73.6-36179.4-58.50000111.4S8 A9 F39S8-C11 WeakPolarHBondContact O-CB 3.4Å; S8-C11 PolarHBondContact O-N 2.78Å; A9-C11 PolarHBondContact O-N 2.95Å; C11-F39 HydrophobicContact CB-CD1 4.35Å; C11-F39 HydrophobicContact CB-CD2 3.96Å; C11-F39 HydrophobicContact CB-CE2 4.17Å; C11-F39 HydrophobicContact CB-CG 4.06Å; C11-F39 HydrophobicContact CB-CZ 4.46Å; C11-F39 WeakPolarHBondContact O-CE2 3.22Å
12L87.1Confident78.4Confident10 Ų1069.9 Ų69.95%0.05238%0.379CS..Hα-helixtrans-90.1-1.4-179-66.9-177.6000114.3I7 A9 K14 Y15 P18 V21 R22 V53I7-L12 HydrophobicContact CG2-CD1 3.22Å; I7-L12 HydrophobicContact CG2-CD2 4.21Å; I7-L12 HydrophobicContact CG2-CG 3.4Å; I7-L12 VanDerWaalsContact CG2-CG 3.4Å; A9-L12 PolarHBondContact O-N 3.5Å; L12-K14 PolarHBondContact O-N 2.88Å; L12-Y15 HydrophobicContact CD2-CD2 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 4.1Å; L12-Y15 HydrophobicContact CD2-CG 4.14Å; L12-Y15 PolarHBondContact O-N 3.46Å; L12-P18 HydrophobicContact CB-CB 3.75Å; L12-P18 HydrophobicContact CD1-CB 4.05Å; L12-P18 WeakPolarHBondContact CD1-O 3.28Å; L12-P18 HydrophobicContact CG-CB 4.49Å; L12-V21 HydrophobicContact CD2-CB 4.08Å; L12-V21 HydrophobicContact CD2-CG1 3.59Å; L12-R22 HydrophobicContact CD1-CB 4.15Å; L12-V53 HydrophobicContact CD2-CG2 3.82Å
13A86.2Confident80.5Confident82 Ų8273.5 Ų73.568%0.67838%0.382SS*.THydrogen-bonded Turntrans-58.3-23.3-175.700000114A9A9-A13 PolarHBondContact O-N 3.23Å; A9-A13 VanDerWaalsContact O-N 3.16Å
14K89.1Confident82.4Confident144 Ų14472.3 Ų72.363%0.62637%0.37SS*.THydrogen-bonded Turntrans-90.8-11.7178.2-64.4-172.7175.8-172.50114.3L12 E78L12-K14 PolarHBondContact O-N 2.88Å; K14-E78 HydrophobicContact CB-CG 4.21Å
15Y93Very high84.2Confident12 Ų1268.2 Ų68.25%0.04735%0.348CS..  trans-81.9140.1-177.7-74.6-103.3000110.4L12 Y17 V21 V53 L76 F77 E78L12-Y15 HydrophobicContact CD2-CD2 3.81Å; L12-Y15 HydrophobicContact CD2-CE2 4.1Å; L12-Y15 HydrophobicContact CD2-CG 4.14Å; L12-Y15 PolarHBondContact O-N 3.46Å; Y15-Y17 VanDerWaalsContact C-N 3.31Å; Y15-Y17 PolarHBondContact O-N 3.34Å; Y15-V21 HydrophobicContact CD1-CG2 3.58Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.21Å; Y15-V53 HydrophobicContact CE2-CG2 3.97Å; Y15-V53 PolarHBondContact OH-N 3.45Å; Y15-L76 HydrophobicContact CE1-CB 4.2Å; Y15-L76 WeakPolarHBondContact CE1-O 3.42Å; Y15-L76 PolarHBondContact OH-O 2.92Å; Y15-F77 WeakPolarHBondContact CD1-O 3.23Å; Y15-F77 WeakPolarHBondContact CE1-O 3.22Å; Y15-E78 WeakPolarHBondContact CA-O 3.33Å
16T93.4Very high85.7Confident89 Ų8962 Ų6255%0.54632%0.321SS..SBendtrans-67.5-35.3176.9-50.20000111.5P18 E78T16-P18 VanDerWaalsContact C-CD 3.5Å; T16-P18 WeakPolarHBondContact O-CD 3.37Å; T16-E78 PolarHBondContact N-O 2.91Å
17Y93.8Very high87.2Confident93 Ų9363.1 Ų63.137%0.36533%0.334SS..  trans-125.465.2-175.7-52.2-80.5000112.1Y15 Q19 I20 V21 H82Y15-Y17 VanDerWaalsContact C-N 3.31Å; Y15-Y17 PolarHBondContact O-N 3.34Å; Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 2.98Å; Y17-I20 HydrophobicContact CD1-CD1 4.37Å; Y17-I20 HydrophobicContact CG-CD1 4.32Å; Y17-I20 PolarHBondContact O-N 3.4Å; Y17-I20 VanDerWaalsContact O-N 3.12Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.92Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; Y17-H82 AromaticContact CD2-CD2 3.97Å; Y17-H82 AromaticContact CE2-CD2 3.34Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.47Å; Y17-H82 AromaticContact CE2-NE2 3.92Å; Y17-H82 AromaticContact CZ-CD2 3.68Å; Y17-H82 AromaticContact CZ-NE2 3.77Å
18P92.5Very high88.6Confident45 Ų4562.9 Ų62.929%0.29233%0.332SS..Hα-helixtrans-62.4-33.3-170.726.9-36.2000112.9L12 T16 R22L12-P18 HydrophobicContact CB-CB 3.75Å; L12-P18 HydrophobicContact CD1-CB 4.05Å; L12-P18 WeakPolarHBondContact CD1-O 3.28Å; L12-P18 HydrophobicContact CG-CB 4.49Å; T16-P18 VanDerWaalsContact C-CD 3.5Å; T16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-R22 WeakPolarHBondContact O-CB 3.43Å; P18-R22 PolarHBondContact O-N 3.44Å
19Q91.4Very high89.9Confident145 Ų14560.8 Ų60.868%0.67832%0.316SS*.Hα-helixtrans-68-37.1179.1-60.1-59.2-14.600112.3Y17 R23Y17-Q19 VanDerWaalsContact C-N 3.27Å; Y17-Q19 PolarHBondContact O-N 2.98Å; Q19-R23 WeakPolarHBondContact O-CB 3.35Å; Q19-R23 PolarHBondContact O-N 3.48Å
20I93.5Very high91.2Very high41 Ų4164 Ų6421%0.2131%0.314CS..Hα-helixtrans-69.5-46.9177.8-56180000109.5Y17 R22 R23 D24 Y80 P81Y17-I20 HydrophobicContact CD1-CD1 4.37Å; Y17-I20 HydrophobicContact CG-CD1 4.32Å; Y17-I20 PolarHBondContact O-N 3.4Å; Y17-I20 VanDerWaalsContact O-N 3.12Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; I20-R23 PolarHBondContact O-N 2.91Å; I20-R23 VanDerWaalsContact O-N 3.16Å; I20-D24 WeakPolarHBondContact CG2-OD2 3.39Å; I20-D24 WeakPolarHBondContact O-CB 3.49Å; I20-D24 VanDerWaalsContact O-CG 3.28Å; I20-D24 PolarHBondContact O-N 3.28Å; I20-Y80 HydrophobicContact CG2-CE1 4.5Å; I20-P81 HydrophobicContact CD1-CG 4.07Å; I20-P81 HydrophobicContact CG2-CB 4.27Å; I20-P81 HydrophobicContact CG2-CG 3.92Å
21V94.1Very high92.2Very high0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-53.7-50174.8178.60000110.7L12 Y15 Y17 R23 D24 V25 L76 Y80L12-V21 HydrophobicContact CD2-CB 4.08Å; L12-V21 HydrophobicContact CD2-CG1 3.59Å; Y15-V21 HydrophobicContact CD1-CG2 3.58Å; Y15-V21 HydrophobicContact CE1-CG2 4.18Å; Y15-V21 HydrophobicContact CG-CG2 4.21Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.92Å; Y17-V21 VanDerWaalsContact O-N 3.16Å; V21-R23 PolarHBondContact O-N 2.92Å; V21-D24 PolarHBondContact O-N 3.33Å; V21-V25 HydrophobicContact CG1-CG2 4.22Å; V21-V25 VanDerWaalsContact O-CB 3.25Å; V21-V25 WeakPolarHBondContact O-CB 3.35Å; V21-V25 WeakPolarHBondContact O-CG2 3.32Å; V21-V25 PolarHBondContact O-N 2.91Å; V21-L76 HydrophobicContact CG1-CD1 3.95Å; V21-Y80 HydrophobicContact CB-CD1 4.47Å; V21-Y80 HydrophobicContact CG2-CD1 3.67Å; V21-Y80 HydrophobicContact CG2-CE1 4.44Å
22R92.4Very high92.9Very high77 Ų7758.2 Ų58.229%0.29130%0.297SS..Hα-helixtrans-58.1-47.4178.8-178.9178.1-177.3112.89.3111.5D4 I7 L12 P18 I20 T26D4-R22 PolarHBondContact O-NH2 3.38Å; D4-R22 IonicContact OD1-CZ 3.75Å; D4-R22 IonicContact OD1-NH2 3.98Å; D4-R22 PolarHBondContact OD1-NH2 3Å; I7-R22 HydrophobicContact CD1-CB 4.4Å; I7-R22 HydrophobicContact CD1-CG 4.22Å; L12-R22 HydrophobicContact CD1-CB 4.15Å; P18-R22 WeakPolarHBondContact O-CB 3.43Å; P18-R22 PolarHBondContact O-N 3.44Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 2.87Å; R22-T26 VanDerWaalsContact O-CB 3.26Å; R22-T26 WeakPolarHBondContact O-CB 3.34Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.48Å
23R93.1Very high93.2Very high144 Ų14466.5 Ų66.554%0.54333%0.333SS..Hα-helixtrans-61.8-52.8-179.3-176.3-168.369.11212111.2Q19 I20 V21 V25 T26 C27Q19-R23 WeakPolarHBondContact O-CB 3.35Å; Q19-R23 PolarHBondContact O-N 3.48Å; I20-R23 PolarHBondContact O-N 2.91Å; I20-R23 VanDerWaalsContact O-N 3.16Å; V21-R23 PolarHBondContact O-N 2.92Å; R23-V25 PolarHBondContact O-N 2.91Å; R23-T26 PolarHBondContact O-N 3.39Å; R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.26Å
24D94.4Very high93.6Very high10 Ų1068.2 Ų68.25%0.05333%0.327CS..Hα-helixtrans-66.2-42.4-173.8-65.92.7000111.2I20 V21 C27 A28 Y80 L124I20-D24 WeakPolarHBondContact CG2-OD2 3.39Å; I20-D24 WeakPolarHBondContact O-CB 3.49Å; I20-D24 VanDerWaalsContact O-CG 3.28Å; I20-D24 PolarHBondContact O-N 3.28Å; V21-D24 PolarHBondContact O-N 3.33Å; D24-C27 PolarHBondContact O-N 3.48Å; D24-A28 WeakPolarHBondContact O-CB 3.37Å; D24-A28 PolarHBondContact O-N 3.31Å; D24-Y80 HydrophobicContact CB-CE1 4.22Å; D24-Y80 WeakPolarHBondContact CB-OH 3.28Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.43Å; D24-Y80 PolarHBondContact OD2-OH 2.79Å; D24-L124 HydrophobicContact CB-CB 4.45Å
25V93.8Very high93.9Very high0 Ų061.7 Ų61.70%030%0.298CS..Hα-helixtrans-63-43.6173.9171.20000111.3W6 I7 V21 R23 C27 A28 L29 V53 L55 L76 L124W6-V25 HydrophobicContact CH2-CG1 4Å; W6-V25 HydrophobicContact CZ2-CG1 3.48Å; W6-V25 VanDerWaalsContact CZ2-CG1 3.48Å; I7-V25 HydrophobicContact CD1-CG1 4.33Å; V21-V25 HydrophobicContact CG1-CG2 4.22Å; V21-V25 VanDerWaalsContact O-CB 3.25Å; V21-V25 WeakPolarHBondContact O-CB 3.35Å; V21-V25 WeakPolarHBondContact O-CG2 3.32Å; V21-V25 PolarHBondContact O-N 2.91Å; R23-V25 PolarHBondContact O-N 2.91Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.25Å; V25-A28 PolarHBondContact O-N 2.95Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.16Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.36Å; V25-L29 PolarHBondContact O-N 2.97Å; V25-V53 HydrophobicContact CG2-CG1 4.45Å; V25-L55 HydrophobicContact CG1-CD2 3.6Å; V25-L55 HydrophobicContact CG2-CD2 4.42Å; V25-L76 HydrophobicContact CG2-CD1 3.4Å; V25-L124 HydrophobicContact CG2-CD2 4.33Å
26T92.7Very high93.9Very high17 Ų1769.5 Ų69.510%0.10433%0.328CS..Hα-helixtrans-62.4-39.6177.6-58.10000111.3R22 R23 K30R22-T26 VanDerWaalsContact O-CB 3.26Å; R22-T26 WeakPolarHBondContact O-CB 3.34Å; R22-T26 PolarHBondContact O-N 2.89Å; R22-T26 PolarHBondContact O-OG1 3.48Å; R23-T26 PolarHBondContact O-N 3.39Å; T26-K30 HydrophobicContact CG2-CD 4.4Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.32Å; T26-K30 PolarHBondContact O-N 3.47Å; T26-K30 VanDerWaalsContact O-N 3.09Å
27C94.2Very high93.9Very high61 Ų6167 Ų6741%0.41231%0.313SS..Hα-helixtrans-64.2-46.6174-73.20000111.8R23 D24 V25 L29 K30 A31 V125R23-C27 PolarHBondContact O-N 3.46Å; R23-C27 PolarHBondContact O-SG 3.26Å; D24-C27 PolarHBondContact O-N 3.48Å; V25-C27 VanDerWaalsContact C-N 3.29Å; V25-C27 PolarHBondContact O-N 3.25Å; C27-L29 PolarHBondContact O-N 3.19Å; C27-K30 PolarHBondContact O-N 3.07Å; C27-A31 PolarHBondContact O-N 3.4Å; C27-V125 HydrophobicContact CB-CG2 4.27Å
28A95.2Very high93.8Very high0 Ų066.4 Ų66.40%031%0.313CS..Hα-helixtrans-60.4-43.5177.500000112.4D24 V25 K30 A31 F32 L55 L124 V125 I128D24-A28 WeakPolarHBondContact O-CB 3.37Å; D24-A28 PolarHBondContact O-N 3.31Å; V25-A28 PolarHBondContact O-N 2.95Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.46Å; A28-A31 PolarHBondContact O-N 2.89Å; A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.41Å; A28-L55 HydrophobicContact CB-CD1 4.02Å; A28-L124 HydrophobicContact CB-CD2 3.84Å; A28-L124 HydrophobicContact CB-CG 4.03Å; A28-V125 HydrophobicContact CB-CG2 4.4Å; A28-I128 HydrophobicContact CB-CD1 4.18Å
29L94.2Very high93.8Very high19 Ų1966.7 Ų66.710%0.09931%0.309CS..Hα-helixtrans-67.7-30.5177.5-67.8174.6000113.1A3 W6 V25 C27 L35 P37 L55A3-L29 HydrophobicContact CB-CD1 4.23Å; W6-L29 HydrophobicContact CZ2-CD1 4.22Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.16Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 3.36Å; V25-L29 PolarHBondContact O-N 2.97Å; C27-L29 PolarHBondContact O-N 3.19Å; L29-L35 HydrophobicContact CD2-CB 3.98Å; L29-L35 WeakPolarHBondContact CD2-O 3.5Å; L29-P37 HydrophobicContact CD1-CB 4.11Å; L29-P37 HydrophobicContact CD1-CG 3.83Å; L29-P37 HydrophobicContact CD2-CG 4.5Å; L29-L55 HydrophobicContact CD2-CD2 4.16Å; L29-L55 HydrophobicContact CG-CD2 4.43Å
30K94.5Very high93.8Very high156 Ų15661.9 Ų61.968%0.67829%0.287SS*.Hα-helixtrans-69.8-39.5173-77.4174.7-179.4177.70111.7T26 C27 A28T26-K30 HydrophobicContact CG2-CD 4.4Å; T26-K30 VanDerWaalsContact O-CG 3.29Å; T26-K30 WeakPolarHBondContact O-CG 3.32Å; T26-K30 PolarHBondContact O-N 3.47Å; T26-K30 VanDerWaalsContact O-N 3.09Å; C27-K30 PolarHBondContact O-N 3.07Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.46Å
31A95.8Very high93.7Very high57 Ų5765.8 Ų65.847%0.47130%0.304SS..Hα-helixtrans-73.7-41.1178.200000112.4C27 A28 V125C27-A31 PolarHBondContact O-N 3.4Å; A28-A31 PolarHBondContact O-N 2.89Å; A31-V125 HydrophobicContact CB-CG1 4.33Å
32F95.8Very high93.6Very high21 Ų2166.7 Ų66.79%0.09231%0.308CS..  trans-121.290.3-173.8-57-77.8000111.3A28 E34 L35 V125 I128A28-F32 WeakPolarHBondContact O-CD2 3.34Å; A28-F32 PolarHBondContact O-N 3.41Å; F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 PolarHBondContact O-N 2.93Å; F32-L35 HydrophobicContact CB-CD1 3.76Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 WeakPolarHBondContact O-CB 3.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.14Å; F32-V125 HydrophobicContact CE2-CG1 4.21Å; F32-I128 HydrophobicContact CD1-CG2 3.89Å; F32-I128 HydrophobicContact CD2-CB 4.14Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.45Å; F32-I128 HydrophobicContact CD2-CG2 3.8Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.52Å; F32-I128 HydrophobicContact CE2-CB 3.55Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.26Å; F32-I128 HydrophobicContact CE2-CG2 3.42Å; F32-I128 VanDerWaalsContact CE2-CG2 3.42Å; F32-I128 HydrophobicContact CG-CD1 4.4Å; F32-I128 HydrophobicContact CG-CG2 4.02Å; F32-I128 HydrophobicContact CZ-CB 3.75Å; F32-I128 HydrophobicContact CZ-CG2 3.28Å
33K93.9Very high93.6Very high184 Ų18468.2 Ų68.280%0.832%0.321SS*.THydrogen-bonded Turntrans-66.5-21.8-171.5-61-177.6-179.11790115.2L35K33-L35 VanDerWaalsContact C-N 3.33Å
34E94.9Very high93.3Very high118 Ų11865.7 Ų65.755%0.55131%0.314SS*.THydrogen-bonded Turntrans-84.5-9179-68-61.6140.700112.6F32 G57 T58F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 PolarHBondContact O-N 2.93Å; E34-G57 WeakPolarHBondContact O-CA 3.5Å; E34-T58 WeakPolarHBondContact CB-O 3.48Å; E34-T58 WeakPolarHBondContact CB-OG1 3.43Å
35L95.6Very high92.8Very high6 Ų672.8 Ų72.83%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-77.8134.1170.4-65.4-178.2000109.6L29 F32 K33 L55 I59 I72 I128L29-L35 HydrophobicContact CD2-CB 3.98Å; L29-L35 WeakPolarHBondContact CD2-O 3.5Å; F32-L35 HydrophobicContact CB-CD1 3.76Å; F32-L35 HydrophobicContact CB-CG 3.93Å; F32-L35 HydrophobicContact CG-CD1 4.38Å; F32-L35 WeakPolarHBondContact O-CB 3.38Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-L35 VanDerWaalsContact O-N 3.14Å; K33-L35 VanDerWaalsContact C-N 3.33Å; L35-L55 HydrophobicContact CD1-CB 4.48Å; L35-I59 HydrophobicContact CD2-CG2 4.27Å; L35-I72 HydrophobicContact CD2-CD1 4.41Å; L35-I72 HydrophobicContact CD2-CG1 4.16Å; L35-I128 HydrophobicContact CD1-CD1 3.72Å
36R93.4Very high92.5Very high176 Ų17677.4 Ų77.466%0.66438%0.377SS*.EExtended strand (participates in β ladder)trans-119.1134.6175.6-65-172-174.9-155.32109.7D56R36-D56 WeakPolarHBondContact CA-O 3.36Å; R36-D56 WeakPolarHBondContact CB-O 3.26Å; R36-D56 PolarHBondContact N-O 2.97Å; R36-D56 PolarHBondContact O-N 3.47Å; R36-D56 VanDerWaalsContact O-O 3.12Å
37P92.7Very high92.1Very high37 Ų3779.3 Ų79.324%0.2440%0.399CS..EExtended strand (participates in β ladder)trans-81.9145.6178.830.9-32.5000112.9W6 L29 S54 L55W6-P37 VanDerWaalsContact CD1-CG 3.49Å; W6-P37 HydrophobicContact CD2-CB 3.31Å; W6-P37 HydrophobicContact CD2-CG 3.32Å; W6-P37 HydrophobicContact CE3-CB 3.52Å; W6-P37 HydrophobicContact CE3-CG 4.01Å; W6-P37 HydrophobicContact CG-CB 4.12Å; W6-P37 HydrophobicContact CG-CG 3.57Å; W6-P37 HydrophobicContact CH2-CB 3.15Å; W6-P37 HydrophobicContact CH2-CG 4.22Å; W6-P37 HydrophobicContact CZ2-CB 2.93Å; W6-P37 HydrophobicContact CZ2-CG 3.6Å; W6-P37 HydrophobicContact CZ3-CB 3.45Å; W6-P37 VanDerWaalsContact CZ3-CB 3.45Å; W6-P37 HydrophobicContact CZ3-CG 4.41Å; L29-P37 HydrophobicContact CD1-CB 4.11Å; L29-P37 HydrophobicContact CD1-CG 3.83Å; L29-P37 HydrophobicContact CD2-CG 4.5Å; P37-S54 CarbonylContact C-O 3.55Å; P37-S54 WeakPolarHBondContact CA-O 3.43Å; P37-L55 HydrophobicContact CB-CD2 4.13Å
38K92.1Very high91.9Very high81 Ų8179.2 Ų79.235%0.35240%0.397SS..EExtended strand (participates in β ladder)trans-139.6159.5-179.9-67.8-178.8176.6173.40110.9V53 S54 D56K38-V53 WeakPolarHBondContact O-CA 3.38Å; K38-S54 PolarHBondContact N-O 2.76Å; K38-S54 PolarHBondContact O-N 2.95Å; K38-D56 HydrophobicContact CD-CB 3.83Å; K38-D56 WeakPolarHBondContact CE-OD1 3.36Å; K38-D56 IonicContact NZ-OD1 3.54Å; K38-D56 PolarHBondContact NZ-OD1 3.42Å
39F91.5Very high91.6Very high50 Ų5082 Ų8222%0.21942%0.416CS..EExtended strand (participates in β ladder)trans-124.984.9169.5-171-116.4000109.2C11 R51 L52 V53C11-F39 HydrophobicContact CB-CD1 4.35Å; C11-F39 HydrophobicContact CB-CD2 3.96Å; C11-F39 HydrophobicContact CB-CE2 4.17Å; C11-F39 HydrophobicContact CB-CG 4.06Å; C11-F39 HydrophobicContact CB-CZ 4.46Å; C11-F39 WeakPolarHBondContact O-CE2 3.22Å; F39-R51 HydrophobicContact CE1-CB 3.78Å; F39-R51 HydrophobicContact CE2-CB 4.23Å; F39-R51 VanDerWaalsContact CE2-O 3.31Å; F39-R51 WeakPolarHBondContact CE2-O 3.45Å; F39-R51 HydrophobicContact CZ-CB 3.62Å; F39-R51 WeakPolarHBondContact CZ-O 3.33Å; F39-R51 PolarHBondContact O-NH2 3.3Å; F39-L52 CarbonylContact C-O 3.51Å; F39-L52 WeakPolarHBondContact CA-O 3.09Å; F39-L52 WeakPolarHBondContact CD2-O 3.48Å; F39-V53 HydrophobicContact CD2-CG2 4.03Å; F39-V53 HydrophobicContact CE2-CG2 4.45Å
40E91.2Very high91.5Very high44 Ų4485.7 Ų85.721%0.20643%0.429CS..EExtended strand (participates in β ladder)trans-117.1162-165.972.6-172179.400112.3R51 L52 S54 F75 R90E40-R51 CarbonylContact O-C 3.55Å; E40-R51 WeakPolarHBondContact O-CA 3.11Å; E40-L52 PolarHBondContact N-O 2.94Å; E40-L52 PolarHBondContact O-N 3.22Å; E40-S54 WeakPolarHBondContact CG-OG 3.32Å; E40-S54 PolarHBondContact OE1-OG 2.99Å; E40-F75 HydrophobicContact CG-CE1 3.79Å; E40-F75 HydrophobicContact CG-CZ 4.46Å; E40-F75 VanDerWaalsContact OE1-CE1 3.27Å; E40-F75 WeakPolarHBondContact OE1-CE1 3.47Å; E40-F75 VanDerWaalsContact OE1-CZ 3.24Å; E40-F75 WeakPolarHBondContact OE1-CZ 3.33Å; E40-R90 IonicContact OE1-CZ 3.62Å; E40-R90 IonicContact OE1-NH1 3.88Å; E40-R90 PolarHBondContact OE1-NH1 3.47Å; E40-R90 IonicContact OE1-NH2 3.6Å; E40-R90 PolarHBondContact OE1-NH2 3.37Å; E40-R90 IonicContact OE2-NH1 2.65Å
41E92.8Very high91.4Very high123 Ų12384.7 Ų84.758%0.57542%0.421SS*.EExtended strand (participates in β ladder)trans-78132.1178.4-167.5172.6177.400110.2S49 R50E41-S49 WeakPolarHBondContact CG-OG 3.32Å; E41-S49 VanDerWaalsContact OE1-CB 3.31Å; E41-S49 WeakPolarHBondContact OE1-CB 3.26Å; E41-S49 PolarHBondContact OE1-OG 3.47Å; E41-R50 CarbonylContact C-O 3.53Å; E41-R50 WeakPolarHBondContact CA-O 3.42Å
42F92.4Very high91.3Very high19 Ų1982 Ų828%0.08340%0.398CS..EExtended strand (participates in β ladder)trans-120.4122.6176.5-176.5-89.9000108.4K44 S49 R50 L52 F75 F77 Y88F42-K44 HydrophobicContact CE1-CB 4.22Å; F42-S49 WeakPolarHBondContact O-CA 3.28Å; F42-R50 PolarHBondContact N-O 3.39Å; F42-R50 PolarHBondContact O-N 3.34Å; F42-L52 HydrophobicContact CB-CD1 3.76Å; F42-L52 HydrophobicContact CB-CG 4.19Å; F42-L52 HydrophobicContact CD1-CD1 4.18Å; F42-L52 HydrophobicContact CG-CD1 3.98Å; F42-F75 HydrophobicContact CB-CD1 4.24Å; F42-F75 HydrophobicContact CB-CE1 4.19Å; F42-F75 AromaticContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD2 4.07Å; F42-F75 AromaticContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE2 4.05Å; F42-F75 AromaticContact CD2-CG 3.84Å; F42-F75 HydrophobicContact CD2-CG 3.84Å; F42-F75 AromaticContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CE2-CD1 4.49Å; F42-F75 HydrophobicContact CE2-CD2 4.13Å; F42-F75 HydrophobicContact CE2-CE2 4.23Å; F42-F75 HydrophobicContact CE2-CG 4.23Å; F42-F75 HydrophobicContact CE2-CZ 4.41Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; F42-F75 HydrophobicContact CG-CE1 4.39Å; F42-F77 HydrophobicContact CD1-CE1 4.45Å; F42-F77 AromaticContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CE1-CE1 4.39Å; F42-F77 HydrophobicContact CE1-CE2 4.44Å; F42-F77 AromaticContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CZ-CZ 4.16Å; F42-Y88 AromaticContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CZ-CE2 4.28Å
43I92Very high91.2Very high110 Ų11081 Ų8156%0.56439%0.394SS*.EExtended strand (participates in β ladder)trans-100116.9177.5-57.4172.8000107.2
44K85.2Confident91.2Very high90 Ų9072.2 Ų72.239%0.39136%0.356SS..  trans-79.4161.1176.1-172.4177.7-176.3-1720109.8F42 D46 G47 T48F42-K44 HydrophobicContact CE1-CB 4.22Å; K44-D46 VanDerWaalsContact CB-OD1 3.3Å; K44-D46 WeakPolarHBondContact CB-OD1 3.28Å; K44-D46 PolarHBondContact O-N 2.89Å; K44-G47 PolarHBondContact O-N 3.36Å; K44-T48 PolarHBondContact N-O 2.85Å
45N84.5Confident91.3Very high160 Ų16066.6 Ų66.686%0.85633%0.33SS*.THydrogen-bonded Turntrans-59-18.4-177.8-61.2-5.2000114.1G47N45-G47 VanDerWaalsContact C-N 3.25Å
46D86.9Confident91.3Very high97 Ų9767.9 Ų67.952%0.51934%0.337SS..THydrogen-bonded Turntrans-82.61.5173.959.94.5000113.4K44 T48K44-D46 VanDerWaalsContact CB-OD1 3.3Å; K44-D46 WeakPolarHBondContact CB-OD1 3.28Å; K44-D46 PolarHBondContact O-N 2.89Å; D46-T48 VanDerWaalsContact C-N 3.25Å; D46-T48 VanDerWaalsContact CG-OG1 3.27Å; D46-T48 PolarHBondContact O-N 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 PolarHBondContact OD1-N 2.97Å; D46-T48 PolarHBondContact OD1-OG1 3.4Å; D46-T48 PolarHBondContact OD2-OG1 3.07Å
47G86.2Confident91.5Very high56 Ų5660.2 Ų60.258%0.57731%0.313SS*.SBendtrans81.2-1.6-176.200000113.9K44 N45 S49K44-G47 PolarHBondContact O-N 3.36Å; N45-G47 VanDerWaalsContact C-N 3.25Å; G47-S49 PolarHBondContact O-N 3.19Å
48T88.5Confident91.7Very high60 Ų6060 Ų6037%0.36831%0.311SS..  trans-73.9130.8176.963.20000110.6K44 D46K44-T48 PolarHBondContact N-O 2.85Å; D46-T48 VanDerWaalsContact C-N 3.25Å; D46-T48 VanDerWaalsContact CG-OG1 3.27Å; D46-T48 PolarHBondContact O-N 3.3Å; D46-T48 WeakPolarHBondContact OD1-CB 3.48Å; D46-T48 PolarHBondContact OD1-N 2.97Å; D46-T48 PolarHBondContact OD1-OG1 3.4Å; D46-T48 PolarHBondContact OD2-OG1 3.07Å
49S90.4Very high91.9Very high58 Ų5856.2 Ų56.241%0.40629%0.294SS..EExtended strand (participates in β ladder)trans-96.5133.6175.6167.90000110.8E41 F42 G47E41-S49 WeakPolarHBondContact CG-OG 3.32Å; E41-S49 VanDerWaalsContact OE1-CB 3.31Å; E41-S49 WeakPolarHBondContact OE1-CB 3.26Å; E41-S49 PolarHBondContact OE1-OG 3.47Å; F42-S49 WeakPolarHBondContact O-CA 3.28Å; G47-S49 PolarHBondContact O-N 3.19Å
50R90.9Very high92.2Very high97 Ų9756.3 Ų56.337%0.36630%0.3SS..EExtended strand (participates in β ladder)trans-131.4146174.4-61.6-170.6-177.7-162.42.1110.2E41 F42 L52 E78E41-R50 CarbonylContact C-O 3.53Å; E41-R50 WeakPolarHBondContact CA-O 3.42Å; F42-R50 PolarHBondContact N-O 3.39Å; F42-R50 PolarHBondContact O-N 3.34Å; R50-L52 HydrophobicContact CB-CD2 4.14Å; R50-L52 HydrophobicContact CB-CG 4.19Å; R50-E78 WeakPolarHBondContact CD-OE1 3.38Å; R50-E78 IonicContact CZ-OE2 3.24Å; R50-E78 IonicContact NH1-OE1 3.9Å; R50-E78 IonicContact NH1-OE2 2.69Å; R50-E78 PolarHBondContact NH1-OE2 2.9Å
51R92Very high92.5Very high134 Ų13454.2 Ų54.251%0.50629%0.29SS..EExtended strand (participates in β ladder)trans-97.1113.7171.6-68.4-170.867.2-178.84.2109.2F39 E40F39-R51 HydrophobicContact CE1-CB 3.78Å; F39-R51 HydrophobicContact CE2-CB 4.23Å; F39-R51 VanDerWaalsContact CE2-O 3.31Å; F39-R51 WeakPolarHBondContact CE2-O 3.45Å; F39-R51 HydrophobicContact CZ-CB 3.62Å; F39-R51 WeakPolarHBondContact CZ-O 3.33Å; F39-R51 PolarHBondContact O-NH2 3.3Å; E40-R51 CarbonylContact O-C 3.55Å; E40-R51 WeakPolarHBondContact O-CA 3.11Å
52L94.1Very high92.7Very high0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-118.5153.2-172.8-59-179.4000110.5F39 E40 F42 R50 F75 F77 E78F39-L52 CarbonylContact C-O 3.51Å; F39-L52 WeakPolarHBondContact CA-O 3.09Å; F39-L52 WeakPolarHBondContact CD2-O 3.48Å; E40-L52 PolarHBondContact N-O 2.94Å; E40-L52 PolarHBondContact O-N 3.22Å; F42-L52 HydrophobicContact CB-CD1 3.76Å; F42-L52 HydrophobicContact CB-CG 4.19Å; F42-L52 HydrophobicContact CD1-CD1 4.18Å; F42-L52 HydrophobicContact CG-CD1 3.98Å; R50-L52 HydrophobicContact CB-CD2 4.14Å; R50-L52 HydrophobicContact CB-CG 4.19Å; L52-F75 HydrophobicContact CB-CD1 4.46Å; L52-F77 HydrophobicContact CD1-CD1 4.11Å; L52-F77 HydrophobicContact CD1-CD2 4.17Å; L52-F77 HydrophobicContact CD1-CE1 4.02Å; L52-F77 HydrophobicContact CD1-CE2 4.04Å; L52-F77 HydrophobicContact CD1-CG 4.19Å; L52-F77 HydrophobicContact CD1-CZ 3.99Å; L52-E78 HydrophobicContact CD2-CG 4.34Å
53V94.1Very high92.8Very high0 Ų059.9 Ų59.90%031%0.306CS..EExtended strand (participates in β ladder)trans-69.3126.7163.5174.60000108.1W6 L12 Y15 V25 K38 F39 L76W6-V53 HydrophobicContact CH2-CG1 3.58Å; W6-V53 HydrophobicContact CZ3-CG1 4Å; L12-V53 HydrophobicContact CD2-CG2 3.82Å; Y15-V53 HydrophobicContact CE2-CG2 3.97Å; Y15-V53 PolarHBondContact OH-N 3.45Å; V25-V53 HydrophobicContact CG2-CG1 4.45Å; K38-V53 WeakPolarHBondContact O-CA 3.38Å; F39-V53 HydrophobicContact CD2-CG2 4.03Å; F39-V53 HydrophobicContact CE2-CG2 4.45Å; V53-L76 HydrophobicContact CG1-CD1 4.27Å; V53-L76 PolarHBondContact O-N 2.91Å
54S94.9Very high92.8Very high0 Ų062.3 Ų62.30%032%0.317CS..EExtended strand (participates in β ladder)trans-128151.2172.671.40000112.6P37 K38 E40 I74P37-S54 CarbonylContact C-O 3.55Å; P37-S54 WeakPolarHBondContact CA-O 3.43Å; K38-S54 PolarHBondContact N-O 2.76Å; K38-S54 PolarHBondContact O-N 2.95Å; E40-S54 WeakPolarHBondContact CG-OG 3.32Å; E40-S54 PolarHBondContact OE1-OG 2.99Å; S54-I74 CarbonylContact C-O 3.53Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å; S54-I74 WeakPolarHBondContact CB-O 3.37Å
55L95.8Very high93.2Very high0 Ų062 Ų620%034%0.34CS..EExtended strand (participates in β ladder)trans-108.1110.6169.3-53.9-177.7000107.9V25 A28 L29 L35 P37 A73 I74 L124V25-L55 HydrophobicContact CG1-CD2 3.6Å; V25-L55 HydrophobicContact CG2-CD2 4.42Å; A28-L55 HydrophobicContact CB-CD1 4.02Å; L29-L55 HydrophobicContact CD2-CD2 4.16Å; L29-L55 HydrophobicContact CG-CD2 4.43Å; L35-L55 HydrophobicContact CD1-CB 4.48Å; P37-L55 HydrophobicContact CB-CD2 4.13Å; L55-A73 CarbonylContact O-C 3.6Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.22Å; L55-I74 HydrophobicContact CB-CB 4.32Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 3.38Å; L55-L124 HydrophobicContact CD1-CD2 3.77Å
56D95.6Very high93.6Very high34 Ų3457.3 Ų57.318%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-116.3129.3-177.2178.4-109.9000109.8R36 K38 R90R36-D56 WeakPolarHBondContact CA-O 3.36Å; R36-D56 WeakPolarHBondContact CB-O 3.26Å; R36-D56 PolarHBondContact N-O 2.97Å; R36-D56 PolarHBondContact O-N 3.47Å; R36-D56 VanDerWaalsContact O-O 3.12Å; K38-D56 HydrophobicContact CD-CB 3.83Å; K38-D56 WeakPolarHBondContact CE-OD1 3.36Å; K38-D56 IonicContact NZ-OD1 3.54Å; K38-D56 PolarHBondContact NZ-OD1 3.42Å; D56-R90 WeakPolarHBondContact OD2-CD 3.47Å; D56-R90 IonicContact OD2-CZ 3.54Å; D56-R90 IonicContact OD2-NE 2.84Å; D56-R90 IonicContact OD2-NH1 3.89Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å
57G96.9Very high94.1Very high15 Ų1556.7 Ų56.716%0.15532%0.319CS..EExtended strand (participates in β ladder)trans164.9-149.1-179.300000111.6E34 P71 I72E34-G57 WeakPolarHBondContact O-CA 3.5Å; G57-P71 CarbonylContact O-C 3.53Å; G57-P71 VanDerWaalsContact O-CA 3.3Å; G57-P71 WeakPolarHBondContact O-CA 3.32Å; G57-I72 PolarHBondContact N-O 3.14Å; G57-I72 VanDerWaalsContact N-O 3.11Å; G57-I72 PolarHBondContact O-N 3.25Å
58T97.3Very high94.5Very high33 Ų3359.4 Ų59.420%0.20231%0.313CS..EExtended strand (participates in β ladder)trans-123.9150.4178.867.30000112.3E34 N69 I70 P71E34-T58 WeakPolarHBondContact CB-O 3.48Å; E34-T58 WeakPolarHBondContact CB-OG1 3.43Å; T58-N69 HydrophobicContact CG2-CB 4.29Å; T58-I70 VanDerWaalsContact CA-O 3.29Å; T58-I70 WeakPolarHBondContact CA-O 3.42Å; T58-P71 HydrophobicContact CG2-CB 4.23Å
59I97.4Very high94.9Very high0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-116.5136171.155.7162.5000109.7L35 V61 I70 I72 I128 L131 Q132 F135L35-I59 HydrophobicContact CD2-CG2 4.27Å; I59-V61 HydrophobicContact CD1-CG2 4.13Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 2.87Å; I59-I70 HydrophobicContact CG1-CB 4.37Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; I59-I72 HydrophobicContact CB-CD1 4.41Å; I59-I72 HydrophobicContact CD1-CD1 3.98Å; I59-I72 HydrophobicContact CD1-CG2 4.33Å; I59-I72 HydrophobicContact CG1-CD1 4Å; I59-I72 HydrophobicContact CG1-CG1 4.31Å; I59-I72 HydrophobicContact CG1-CG2 4.23Å; I59-I72 HydrophobicContact CG2-CD1 3.53Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I59-I128 HydrophobicContact CB-CG2 4.4Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I59-L131 HydrophobicContact CD1-CB 3.9Å; I59-Q132 HydrophobicContact CD1-CG 4.19Å; I59-F135 HydrophobicContact CD1-CD2 4.19Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å
60P97.3Very high95.2Very high52 Ų5258.4 Ų58.434%0.33830%0.3SS..EExtended strand (participates in β ladder)trans-76.8120178.727.8-30.4000110T67 Q132P60-T67 HydrophobicContact CB-CG2 3.7Å; P60-Q132 WeakPolarHBondContact O-CG 3.45Å; P60-Q132 PolarHBondContact O-NE2 3.5Å
61V97.5Very high95.6Very high1 Ų154.4 Ų54.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-118.9127.1-177.2176.30000109.3I59 T67 Y68 I70 Q132 F135 G136I59-V61 HydrophobicContact CD1-CG2 4.13Å; I59-V61 HydrophobicContact CG1-CG2 4.14Å; I59-V61 PolarHBondContact O-N 2.87Å; V61-T67 CarbonylContact O-C 3.59Å; V61-T67 WeakPolarHBondContact O-CA 3.28Å; V61-Y68 PolarHBondContact N-O 2.87Å; V61-Y68 PolarHBondContact O-N 3.24Å; V61-I70 HydrophobicContact CB-CG1 3.76Å; V61-I70 HydrophobicContact CG1-CG1 4.47Å; V61-I70 HydrophobicContact CG2-CB 4.06Å; V61-I70 HydrophobicContact CG2-CG1 3.51Å; V61-Q132 HydrophobicContact CG2-CG 4.47Å; V61-F135 HydrophobicContact CB-CB 4.47Å; V61-F135 HydrophobicContact CG1-CB 3.68Å; V61-F135 WeakPolarHBondContact CG1-O 3.44Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.45Å; V61-G136 VanDerWaalsContact CG1-N 3.32Å
62R97Very high95.8Very high201 Ų20148.1 Ų48.176%0.75826%0.263SS*.EExtended strand (participates in β ladder)trans-86.3111.4175.2-70.1-175.3-177.6-172.42.3109.7S66 G136R62-S66 CarbonylContact C-O 3.47Å; R62-S66 WeakPolarHBondContact CA-O 3.47Å; R62-G136 WeakPolarHBondContact O-CA 3.42Å
63Y93.7Very high96Very high60 Ų6048.1 Ų48.124%0.23526%0.263CS..EExtended strand (participates in β ladder)trans-127.1125178.3-180-97.4000109G65 S66 Y68 G136Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.36Å; Y63-S66 PolarHBondContact N-O 2.95Å; Y63-S66 PolarHBondContact O-N 2.76Å; Y63-S66 VanDerWaalsContact O-O 3.04Å; Y63-Y68 HydrophobicContact CD1-CE2 4.13Å; Y63-G136 WeakPolarHBondContact CD2-O 3.27Å
64M93.2Very high96.2Very high161 Ų16148.1 Ų48.179%0.79326%0.263SS*.THydrogen-bonded Turntrans48.743.5-178.9-56.7-171.588.300114.4S66M64-S66 VanDerWaalsContact C-N 3.26Å; M64-S66 PolarHBondContact O-N 2.75Å
65G92.1Very high96.3Very high84 Ų8448.5 Ų48.587%0.86627%0.265SS*.THydrogen-bonded Turntrans80-4.7177.300000115.6Y63Y63-G65 VanDerWaalsContact C-N 3.28Å; Y63-G65 PolarHBondContact O-N 3.36Å
66S94.9Very high96.3Very high60 Ų6048.5 Ų48.542%0.4227%0.265SS..EExtended strand (participates in β ladder)trans-112.8147.1175.6-64.90000111.4R62 Y63 M64R62-S66 CarbonylContact C-O 3.47Å; R62-S66 WeakPolarHBondContact CA-O 3.47Å; Y63-S66 PolarHBondContact N-O 2.95Å; Y63-S66 PolarHBondContact O-N 2.76Å; Y63-S66 VanDerWaalsContact O-O 3.04Å; M64-S66 VanDerWaalsContact C-N 3.26Å; M64-S66 PolarHBondContact O-N 2.75Å
67T96.2Very high96.2Very high84 Ų8447.4 Ų47.452%0.51526%0.258SS..EExtended strand (participates in β ladder)trans-94.1122.1175.7-54.20000109.9P60 V61P60-T67 HydrophobicContact CB-CG2 3.7Å; V61-T67 CarbonylContact O-C 3.59Å; V61-T67 WeakPolarHBondContact O-CA 3.28Å
68Y95.6Very high96Very high114 Ų11448.1 Ų48.145%0.44726%0.258SS..EExtended strand (participates in β ladder)trans-111.3140.6175.6-61.3-88.4000110.1V61 Y63 I70V61-Y68 PolarHBondContact N-O 2.87Å; V61-Y68 PolarHBondContact O-N 3.24Å; Y63-Y68 HydrophobicContact CD1-CE2 4.13Å; Y68-I70 PolarHBondContact O-N 2.84Å
69N96.5Very high95.9Very high92 Ų9248.2 Ų48.249%0.49226%0.262SS..EExtended strand (participates in β ladder)trans-90.2102.6175.8-65.4-40.9000109T58T58-N69 HydrophobicContact CG2-CB 4.29Å
70I96.8Very high95.8Very high5 Ų548.3 Ų48.33%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-89121.5-175.6-54.9-58.1000109.2T58 I59 V61 Y68 I72 F135 P140 V141T58-I70 VanDerWaalsContact CA-O 3.29Å; T58-I70 WeakPolarHBondContact CA-O 3.42Å; I59-I70 HydrophobicContact CG1-CB 4.37Å; I59-I70 PolarHBondContact N-O 3.07Å; I59-I70 PolarHBondContact O-N 3.2Å; V61-I70 HydrophobicContact CB-CG1 3.76Å; V61-I70 HydrophobicContact CG1-CG1 4.47Å; V61-I70 HydrophobicContact CG2-CB 4.06Å; V61-I70 HydrophobicContact CG2-CG1 3.51Å; Y68-I70 PolarHBondContact O-N 2.84Å; I70-I72 HydrophobicContact CG2-CG2 4.38Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.4Å; I70-P140 HydrophobicContact CG2-CG 3.8Å; I70-V141 HydrophobicContact CD1-CG2 3.78Å; I70-V141 HydrophobicContact CG2-CG2 4.47Å
71P97.9Very high95.7Very high13 Ų1345.8 Ų45.88%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-75.8126.6-179.330.6-35.1000111.5G57 T58 R90 M95G57-P71 CarbonylContact O-C 3.53Å; G57-P71 VanDerWaalsContact O-CA 3.3Å; G57-P71 WeakPolarHBondContact O-CA 3.32Å; T58-P71 HydrophobicContact CG2-CB 4.23Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.44Å; P71-R90 PolarHBondContact O-N 3.24Å; P71-M95 HydrophobicContact CG-SD 4.05Å
72I98.1Very high95.6Very high1 Ų151 Ų511%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-134.7158.6-179.465166.2000111.5L35 G57 I59 I70 I74 Y88 L131 F135L35-I72 HydrophobicContact CD2-CD1 4.41Å; L35-I72 HydrophobicContact CD2-CG1 4.16Å; G57-I72 PolarHBondContact N-O 3.14Å; G57-I72 VanDerWaalsContact N-O 3.11Å; G57-I72 PolarHBondContact O-N 3.25Å; I59-I72 HydrophobicContact CB-CD1 4.41Å; I59-I72 HydrophobicContact CD1-CD1 3.98Å; I59-I72 HydrophobicContact CD1-CG2 4.33Å; I59-I72 HydrophobicContact CG1-CD1 4Å; I59-I72 HydrophobicContact CG1-CG1 4.31Å; I59-I72 HydrophobicContact CG1-CG2 4.23Å; I59-I72 HydrophobicContact CG2-CD1 3.53Å; I59-I72 HydrophobicContact CG2-CG1 4.09Å; I70-I72 HydrophobicContact CG2-CG2 4.38Å; I72-I74 HydrophobicContact CD1-CD1 3.93Å; I72-I74 HydrophobicContact CD1-CG1 4.03Å; I72-Y88 CarbonylContact C-O 3.55Å; I72-Y88 VanDerWaalsContact CA-O 3.22Å; I72-Y88 WeakPolarHBondContact CA-O 3.44Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; I72-F135 HydrophobicContact CG2-CE2 4.21Å
73A97.4Very high95.4Very high0 Ų045.4 Ų45.40%025%0.253CS..EExtended strand (participates in β ladder)trans-131.9125.7166.900000110.4L55 F75 V87 Y88 R90L55-A73 CarbonylContact O-C 3.6Å; L55-A73 VanDerWaalsContact O-CA 3.29Å; L55-A73 WeakPolarHBondContact O-CA 3.22Å; A73-F75 HydrophobicContact CB-CE2 4.02Å; A73-V87 CarbonylContact O-C 3.58Å; A73-V87 WeakPolarHBondContact O-CA 3.07Å; A73-Y88 PolarHBondContact N-O 3.27Å; A73-Y88 PolarHBondContact O-N 2.86Å; A73-R90 HydrophobicContact CB-CG 4.06Å; A73-R90 VanDerWaalsContact CB-NE 3.26Å
74I97.8Very high95.6Very high0 Ų043.6 Ų43.60%025%0.25CS..EExtended strand (participates in β ladder)trans-111.3116.7179.3-50.9172.7000108.3S54 L55 I72 L76 P85 V86 V87 L124 I128S54-I74 CarbonylContact C-O 3.53Å; S54-I74 WeakPolarHBondContact CA-O 3.44Å; S54-I74 WeakPolarHBondContact CB-O 3.37Å; L55-I74 HydrophobicContact CB-CB 4.32Å; L55-I74 PolarHBondContact N-O 2.94Å; L55-I74 PolarHBondContact O-N 3.38Å; I72-I74 HydrophobicContact CD1-CD1 3.93Å; I72-I74 HydrophobicContact CD1-CG1 4.03Å; I74-L76 HydrophobicContact CG2-CD2 4.34Å; I74-P85 HydrophobicContact CG2-CB 3.58Å; I74-P85 HydrophobicContact CG2-CG 4.43Å; I74-V86 CarbonylContact C-O 3.56Å; I74-V87 HydrophobicContact CB-CG2 4.49Å; I74-V87 HydrophobicContact CG1-CG1 4.33Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.09Å; I74-L124 HydrophobicContact CD1-CD1 4.35Å; I74-L124 HydrophobicContact CG2-CD1 3.96Å; I74-I128 HydrophobicContact CD1-CD1 3.91Å; I74-I128 HydrophobicContact CD1-CG1 3.68Å
75F96.5Very high95.8Very high8 Ų836 Ų364%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-100.4129.8178.7-69.3-91.2000110.8E40 F42 L52 A73 P85 V86 Y88E40-F75 HydrophobicContact CG-CE1 3.79Å; E40-F75 HydrophobicContact CG-CZ 4.46Å; E40-F75 VanDerWaalsContact OE1-CE1 3.27Å; E40-F75 WeakPolarHBondContact OE1-CE1 3.47Å; E40-F75 VanDerWaalsContact OE1-CZ 3.24Å; E40-F75 WeakPolarHBondContact OE1-CZ 3.33Å; F42-F75 HydrophobicContact CB-CD1 4.24Å; F42-F75 HydrophobicContact CB-CE1 4.19Å; F42-F75 AromaticContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD1 3.67Å; F42-F75 HydrophobicContact CD2-CD2 4.07Å; F42-F75 AromaticContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE1 3.66Å; F42-F75 HydrophobicContact CD2-CE2 4.05Å; F42-F75 AromaticContact CD2-CG 3.84Å; F42-F75 HydrophobicContact CD2-CG 3.84Å; F42-F75 AromaticContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CD2-CZ 3.8Å; F42-F75 HydrophobicContact CE2-CD1 4.49Å; F42-F75 HydrophobicContact CE2-CD2 4.13Å; F42-F75 HydrophobicContact CE2-CE2 4.23Å; F42-F75 HydrophobicContact CE2-CG 4.23Å; F42-F75 HydrophobicContact CE2-CZ 4.41Å; F42-F75 HydrophobicContact CG-CD1 4.29Å; F42-F75 HydrophobicContact CG-CE1 4.39Å; L52-F75 HydrophobicContact CB-CD1 4.46Å; A73-F75 HydrophobicContact CB-CE2 4.02Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 VanDerWaalsContact O-CA 3.29Å; F75-P85 WeakPolarHBondContact O-CA 3.47Å; F75-V86 HydrophobicContact CB-CB 4.47Å; F75-V86 PolarHBondContact N-O 3.13Å; F75-V86 PolarHBondContact O-N 2.95Å; F75-Y88 HydrophobicContact CD2-CD2 4.11Å; F75-Y88 HydrophobicContact CE2-CD2 4.03Å
76L96Very high95.9Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-101.6117176.7-54.1-178.4000109Y15 V21 V25 V53 I74 Y80 P85 L124Y15-L76 HydrophobicContact CE1-CB 4.2Å; Y15-L76 WeakPolarHBondContact CE1-O 3.42Å; Y15-L76 PolarHBondContact OH-O 2.92Å; V21-L76 HydrophobicContact CG1-CD1 3.95Å; V25-L76 HydrophobicContact CG2-CD1 3.4Å; V53-L76 HydrophobicContact CG1-CD1 4.27Å; V53-L76 PolarHBondContact O-N 2.91Å; I74-L76 HydrophobicContact CG2-CD2 4.34Å; L76-Y80 HydrophobicContact CB-CG 4.47Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 HydrophobicContact CD2-CG 4.34Å; L76-P85 HydrophobicContact CD2-CB 3.81Å; L76-P85 HydrophobicContact CD2-CG 3.66Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å
77F94.4Very high96.1Very high11 Ų1130.6 Ų30.65%0.04816%0.161CC..PPolyproline II helixtrans-75.7161.7175.6-80.6-101.8000111.7Y15 F42 L52 A79 Y80 E83 V86Y15-F77 WeakPolarHBondContact CD1-O 3.23Å; Y15-F77 WeakPolarHBondContact CE1-O 3.22Å; F42-F77 HydrophobicContact CD1-CE1 4.45Å; F42-F77 AromaticContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CD1-CZ 3.9Å; F42-F77 HydrophobicContact CE1-CE1 4.39Å; F42-F77 HydrophobicContact CE1-CE2 4.44Å; F42-F77 AromaticContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CE1-CZ 3.59Å; F42-F77 HydrophobicContact CZ-CZ 4.16Å; L52-F77 HydrophobicContact CD1-CD1 4.11Å; L52-F77 HydrophobicContact CD1-CD2 4.17Å; L52-F77 HydrophobicContact CD1-CE1 4.02Å; L52-F77 HydrophobicContact CD1-CE2 4.04Å; L52-F77 HydrophobicContact CD1-CG 4.19Å; L52-F77 HydrophobicContact CD1-CZ 3.99Å; F77-A79 PolarHBondContact O-N 3.25Å; F77-A79 VanDerWaalsContact O-N 3.09Å; F77-Y80 VanDerWaalsContact O-CB 3.24Å; F77-Y80 WeakPolarHBondContact O-CB 3.36Å; F77-Y80 PolarHBondContact O-N 3.34Å; F77-E83 WeakPolarHBondContact CB-OE2 3.25Å; F77-V86 HydrophobicContact CD2-CG2 4.03Å; F77-V86 HydrophobicContact CE2-CB 3.94Å; F77-V86 HydrophobicContact CE2-CG2 3.39Å; F77-V86 HydrophobicContact CZ-CG2 4.23Å
78E93.1Very high96.1Very high30 Ų3029 Ų2914%0.1415%0.145CC..THydrogen-bonded Turntrans-59.6-25.6-174.5-63.695.7164.100113.9K14 Y15 T16 R50 L52K14-E78 HydrophobicContact CB-CG 4.21Å; Y15-E78 WeakPolarHBondContact CA-O 3.33Å; T16-E78 PolarHBondContact N-O 2.91Å; R50-E78 WeakPolarHBondContact CD-OE1 3.38Å; R50-E78 IonicContact CZ-OE2 3.24Å; R50-E78 IonicContact NH1-OE1 3.9Å; R50-E78 IonicContact NH1-OE2 2.69Å; R50-E78 PolarHBondContact NH1-OE2 2.9Å; L52-E78 HydrophobicContact CD2-CG 4.34Å
79A94.4Very high96.2Very high36 Ų3623.8 Ų23.830%0.29813%0.125SC..THydrogen-bonded Turntrans-86.5-1178.300000114.5F77 H82 E83F77-A79 PolarHBondContact O-N 3.25Å; F77-A79 VanDerWaalsContact O-N 3.09Å; A79-H82 PolarHBondContact O-N 2.81Å; A79-E83 HydrophobicContact CB-CB 3.97Å; A79-E83 PolarHBondContact O-N 3.48Å
80Y95.4Very high96.2Very high1 Ų123.3 Ų23.30%0.00412%0.117CC..THydrogen-bonded Turntrans-55.2135.3172.4-178.7-84.5000110.6I20 V21 D24 L76 F77 P85 W117I20-Y80 HydrophobicContact CG2-CE1 4.5Å; V21-Y80 HydrophobicContact CB-CD1 4.47Å; V21-Y80 HydrophobicContact CG2-CD1 3.67Å; V21-Y80 HydrophobicContact CG2-CE1 4.44Å; D24-Y80 HydrophobicContact CB-CE1 4.22Å; D24-Y80 WeakPolarHBondContact CB-OH 3.28Å; D24-Y80 WeakPolarHBondContact OD2-CE1 3.43Å; D24-Y80 PolarHBondContact OD2-OH 2.79Å; L76-Y80 HydrophobicContact CB-CG 4.47Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.95Å; L76-Y80 HydrophobicContact CD2-CG 4.34Å; F77-Y80 VanDerWaalsContact O-CB 3.24Å; F77-Y80 WeakPolarHBondContact O-CB 3.36Å; F77-Y80 PolarHBondContact O-N 3.34Å; Y80-P85 HydrophobicContact CD2-CG 3.97Å; Y80-P85 HydrophobicContact CE2-CG 3.72Å; Y80-W117 HydrophobicContact CD2-CZ2 4.43Å; Y80-W117 HydrophobicContact CE2-CH2 4.16Å; Y80-W117 AromaticContact CE2-CZ2 3.64Å; Y80-W117 HydrophobicContact CE2-CZ2 3.64Å
81P95.3Very high96.1Very high0 Ų025.4 Ų25.40%013%0.13CC..THydrogen-bonded Turncis-93.14.313.240.3-42.3000115.3I20 E83 W117 H119I20-P81 HydrophobicContact CD1-CG 4.07Å; I20-P81 HydrophobicContact CG2-CB 4.27Å; I20-P81 HydrophobicContact CG2-CG 3.92Å; P81-E83 VanDerWaalsContact C-N 3.29Å; P81-W117 PolarHBondContact O-NE1 2.88Å; P81-H119 HydrophobicContact CB-CB 4.09Å; P81-H119 HydrophobicContact CG-CB 4Å; P81-H119 VanDerWaalsContact CG-CG 3.45Å; P81-H119 WeakPolarHBondContact CG-ND1 3.42Å
82H94.8Very high95.9Very high109 Ų10927.7 Ų27.751%0.50514%0.144SC..SBendtrans-77.9-18.1-178.3-70-80.6000113.2Y17 A79Y17-H82 AromaticContact CD2-CD2 3.97Å; Y17-H82 AromaticContact CE2-CD2 3.34Å; Y17-H82 WeakPolarHBondContact CE2-CD2 3.47Å; Y17-H82 AromaticContact CE2-NE2 3.92Å; Y17-H82 AromaticContact CZ-CD2 3.68Å; Y17-H82 AromaticContact CZ-NE2 3.77Å; A79-H82 PolarHBondContact O-N 2.81Å
83E94.5Very high95.6Very high84 Ų8432.5 Ų32.539%0.39317%0.17SC..SBendtrans-108.6136.8169.2-172.8175.5-169.800109.3F77 A79 P81F77-E83 WeakPolarHBondContact CB-OE2 3.25Å; A79-E83 HydrophobicContact CB-CB 3.97Å; A79-E83 PolarHBondContact O-N 3.48Å; P81-E83 VanDerWaalsContact C-N 3.29Å
84A96.5Very high95.3Very high22 Ų2236 Ų3618%0.18219%0.192CC..PPolyproline II helixtrans-63144.8178.600000111.1M114 W117A84-M114 HydrophobicContact CB-CB 4.49Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.94Å; A84-W117 HydrophobicContact CB-CE3 4.41Å; A84-W117 HydrophobicContact CB-CG 3.58Å
85P96.8Very high95.2Very high1 Ų138.2 Ų38.21%0.00620%0.202CC..PPolyproline II helixtrans-56.8153.8166.6-23.934.7000111.8I74 F75 L76 Y80 M114 W117 L124 L127I74-P85 HydrophobicContact CG2-CB 3.58Å; I74-P85 HydrophobicContact CG2-CG 4.43Å; F75-P85 CarbonylContact O-C 3.58Å; F75-P85 VanDerWaalsContact O-CA 3.29Å; F75-P85 WeakPolarHBondContact O-CA 3.47Å; L76-P85 HydrophobicContact CD2-CB 3.81Å; L76-P85 HydrophobicContact CD2-CG 3.66Å; Y80-P85 HydrophobicContact CD2-CG 3.97Å; Y80-P85 HydrophobicContact CE2-CG 3.72Å; P85-M114 WeakPolarHBondContact O-CE 3.49Å; P85-W117 HydrophobicContact CG-CH2 4.13Å; P85-W117 HydrophobicContact CG-CZ2 4.4Å; P85-W117 HydrophobicContact CG-CZ3 4.45Å; P85-L124 HydrophobicContact CG-CD1 4.16Å; P85-L127 HydrophobicContact CB-CD2 4.07Å; P85-L127 HydrophobicContact CG-CD2 3.93Å
86V96.1Very high95.1Very high32 Ų3242.6 Ų42.619%0.19422%0.223CC..EExtended strand (participates in β ladder)trans-101.5127.8168.3176.30000109.1I74 F75 F77 Y88 L108I74-V86 CarbonylContact C-O 3.56Å; F75-V86 HydrophobicContact CB-CB 4.47Å; F75-V86 PolarHBondContact N-O 3.13Å; F75-V86 PolarHBondContact O-N 2.95Å; F77-V86 HydrophobicContact CD2-CG2 4.03Å; F77-V86 HydrophobicContact CE2-CB 3.94Å; F77-V86 HydrophobicContact CE2-CG2 3.39Å; F77-V86 HydrophobicContact CZ-CG2 4.23Å; V86-Y88 HydrophobicContact CG1-CD2 4Å; V86-Y88 HydrophobicContact CG1-CE2 3.44Å; V86-Y88 VanDerWaalsContact CG1-CE2 3.44Å; V86-L108 HydrophobicContact CG1-CD1 3.67Å
87V97.7Very high95.1Very high0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-114.2132.5-175.7-176.60000110A73 I74 V109 M114 L127 L131A73-V87 CarbonylContact O-C 3.58Å; A73-V87 WeakPolarHBondContact O-CA 3.07Å; I74-V87 HydrophobicContact CB-CG2 4.49Å; I74-V87 HydrophobicContact CG1-CG1 4.33Å; I74-V87 HydrophobicContact CG1-CG2 4.14Å; I74-V87 HydrophobicContact CG2-CG2 4.09Å; V87-V109 HydrophobicContact CB-CB 4.05Å; V87-V109 HydrophobicContact CB-CG2 4.26Å; V87-V109 HydrophobicContact CG1-CB 4.19Å; V87-V109 HydrophobicContact CG1-CG2 3.89Å; V87-V109 PolarHBondContact O-N 3.46Å; V87-M114 HydrophobicContact CB-CE 4.29Å; V87-M114 HydrophobicContact CG2-CE 3.98Å; V87-M114 HydrophobicContact CG2-SD 4.38Å; V87-L127 HydrophobicContact CG2-CD2 4.05Å; V87-L131 HydrophobicContact CG1-CD1 3.92Å; V87-L131 HydrophobicContact CG1-CD2 4.29Å; V87-L131 HydrophobicContact CG2-CD1 4.39Å
88Y97.4Very high95.2Very high50 Ų5047.8 Ų47.820%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-120.7143.7171.8-75.1-90.9000110.9F42 I72 A73 F75 V86 G107 L108F42-Y88 AromaticContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CE2-CE2 3.83Å; F42-Y88 HydrophobicContact CZ-CE2 4.28Å; I72-Y88 CarbonylContact C-O 3.55Å; I72-Y88 VanDerWaalsContact CA-O 3.22Å; I72-Y88 WeakPolarHBondContact CA-O 3.44Å; A73-Y88 PolarHBondContact N-O 3.27Å; A73-Y88 PolarHBondContact O-N 2.86Å; F75-Y88 HydrophobicContact CD2-CD2 4.11Å; F75-Y88 HydrophobicContact CE2-CD2 4.03Å; V86-Y88 HydrophobicContact CG1-CD2 4Å; V86-Y88 HydrophobicContact CG1-CE2 3.44Å; V86-Y88 VanDerWaalsContact CG1-CE2 3.44Å; Y88-G107 CarbonylContact C-O 3.59Å; Y88-G107 VanDerWaalsContact CA-O 3.31Å; Y88-G107 WeakPolarHBondContact CA-O 3.48Å; Y88-L108 HydrophobicContact CD1-CB 4.16Å; Y88-L108 HydrophobicContact CD1-CD1 4.49Å; Y88-L108 HydrophobicContact CE1-CB 3.72Å; Y88-L108 HydrophobicContact CE1-CD1 3.95Å; Y88-L108 HydrophobicContact CE1-CG 4.41Å; Y88-L108 HydrophobicContact CE2-CD1 4Å
89V98Very high95.3Very high4 Ų449.9 Ų49.92%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-84.9123.3163.4179.60000108P91 V103 G107 V109 F135 P140 V141V89-P91 WeakPolarHBondContact O-CD 3.34Å; V89-V103 HydrophobicContact CG2-CG1 4.13Å; V89-G107 PolarHBondContact N-O 3.5Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; V89-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CZ 3.79Å; V89-P140 HydrophobicContact CG1-CB 4.36Å; V89-P140 HydrophobicContact CG1-CG 4.26Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.09Å; V89-V141 HydrophobicContact CG1-CG1 3.53Å
90R95.9Very high95.3Very high83 Ų8349.9 Ų49.931%0.31326%0.261SS..  trans-10981.4-177.6-75.5-167.9173.5161.40.1110.7E40 D56 P71 A73E40-R90 IonicContact OE1-CZ 3.62Å; E40-R90 IonicContact OE1-NH1 3.88Å; E40-R90 PolarHBondContact OE1-NH1 3.47Å; E40-R90 IonicContact OE1-NH2 3.6Å; E40-R90 PolarHBondContact OE1-NH2 3.37Å; E40-R90 IonicContact OE2-NH1 2.65Å; D56-R90 WeakPolarHBondContact OD2-CD 3.47Å; D56-R90 IonicContact OD2-CZ 3.54Å; D56-R90 IonicContact OD2-NE 2.84Å; D56-R90 IonicContact OD2-NH1 3.89Å; D56-R90 PolarHBondContact OD2-NH1 3.05Å; P71-R90 WeakPolarHBondContact CB-O 3.46Å; P71-R90 WeakPolarHBondContact CG-O 3.44Å; P71-R90 PolarHBondContact O-N 3.24Å; A73-R90 HydrophobicContact CB-CG 4.06Å; A73-R90 VanDerWaalsContact CB-NE 3.26Å
91P94.9Very high95.2Very high48 Ų4857.3 Ų57.331%0.31230%0.3SS..  trans-58.5142.2-177.329.1-38.8000111.6V89 M95 I97 V141V89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-M95 HydrophobicContact CB-CB 3.8Å; P91-I97 HydrophobicContact CB-CG1 4.41Å; P91-I97 HydrophobicContact CG-CD1 3.88Å; P91-I97 HydrophobicContact CG-CG1 3.82Å; P91-V141 HydrophobicContact CB-CG1 4.28Å
92T93.3Very high95.3Very high61 Ų6160.5 Ų60.537%0.37431%0.314SS..  trans-71.5170.916862.70000110.7T94 M95T92-T94 PolarHBondContact O-N 3.46Å; T92-T94 VanDerWaalsContact O-N 3.1Å; T92-T94 PolarHBondContact OG1-OG1 2.9Å; T92-M95 HydrophobicContact CG2-SD 4.43Å; T92-M95 PolarHBondContact O-N 3.34Å; T92-M95 VanDerWaalsContact O-O 3.13Å; T92-M95 WeakPolarHBondContact OG1-CG 3.29Å
93N91.8Very high95.4Very high103 Ų10355.4 Ų55.455%0.55129%0.291SS*.THydrogen-bonded Turntrans-55.4-28.6175.262.8-20.8000113.6K144N93-K144 WeakPolarHBondContact O-CD 3.44Å; N93-K144 PolarHBondContact O-NZ 3.41Å
94T91.8Very high95.4Very high74 Ų7455.5 Ų55.545%0.45429%0.294SS..THydrogen-bonded Turntrans-87.8-3.3176.755.20000114.1T92 S143 K144T92-T94 PolarHBondContact O-N 3.46Å; T92-T94 VanDerWaalsContact O-N 3.1Å; T92-T94 PolarHBondContact OG1-OG1 2.9Å; T94-S143 CarbonylContact O-C 3.59Å; T94-S143 WeakPolarHBondContact O-CA 3.37Å; T94-K144 PolarHBondContact O-N 2.91Å
95M94.4Very high95.3Very high45 Ų4558.1 Ų58.122%0.22231%0.311CS..EExtended strand (participates in β ladder)trans-112.8158.8179.3-66.3174.9-174.700111.1P71 P91 T92 V141 F142 K144P71-M95 HydrophobicContact CG-SD 4.05Å; P91-M95 HydrophobicContact CB-CB 3.8Å; T92-M95 HydrophobicContact CG2-SD 4.43Å; T92-M95 PolarHBondContact O-N 3.34Å; T92-M95 VanDerWaalsContact O-O 3.13Å; T92-M95 WeakPolarHBondContact OG1-CG 3.29Å; M95-V141 HydrophobicContact CB-CB 4.41Å; M95-V141 HydrophobicContact SD-CG2 4.12Å; M95-F142 CarbonylContact C-O 3.55Å; M95-F142 VanDerWaalsContact CA-O 3.32Å; M95-F142 WeakPolarHBondContact CA-O 3.29Å; M95-K144 WeakPolarHBondContact O-CE 3.35Å; M95-K144 PolarHBondContact O-NZ 2.81Å
96Q94.8Very high95.2Very high100 Ų10064.2 Ų64.247%0.46734%0.344SS..EExtended strand (participates in β ladder)trans-134140.7170.3-175.9169-600109V141 F142 K144Q96-V141 CarbonylContact O-C 3.45Å; Q96-V141 WeakPolarHBondContact O-CA 3.12Å; Q96-F142 HydrophobicContact CB-CD1 4.35Å; Q96-F142 HydrophobicContact CB-CE1 3.78Å; Q96-F142 HydrophobicContact CB-CE2 4.11Å; Q96-F142 HydrophobicContact CB-CZ 3.66Å; Q96-F142 HydrophobicContact CG-CE1 3.86Å; Q96-F142 HydrophobicContact CG-CZ 3.75Å; Q96-F142 PolarHBondContact N-O 3.05Å; Q96-F142 WeakPolarHBondContact O-CD1 3.48Å; Q96-F142 PolarHBondContact O-N 3.24Å; Q96-K144 HydrophobicContact CB-CG 4.25Å
97I96.7Very high95.1Very high28 Ų2862.7 Ų62.714%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-63135.2174.7-70.7154.1000108.7P91 P99 V103 D104 P140P91-I97 HydrophobicContact CB-CG1 4.41Å; P91-I97 HydrophobicContact CG-CD1 3.88Å; P91-I97 HydrophobicContact CG-CG1 3.82Å; I97-P99 WeakPolarHBondContact O-CD 3.44Å; I97-V103 HydrophobicContact CG2-CG1 4.33Å; I97-D104 WeakPolarHBondContact CG2-O 3.4Å; I97-P140 WeakPolarHBondContact CA-O 3.45Å
98K95.3Very high95.1Very high92 Ų9264.7 Ų64.740%0.435%0.345SS..  trans-104.4100.4169-171.1-178.1175.3-1700107.2S100 P140 F142K98-S100 PolarHBondContact O-N 3.07Å; K98-P140 PolarHBondContact N-O 3.35Å; K98-F142 HydrophobicContact CB-CD1 4.01Å; K98-F142 HydrophobicContact CB-CE1 4.47Å
99P95Very high95.1Very high74 Ų7462.4 Ų62.448%0.48134%0.336SS..  trans-55.4141.3175.3-24.334.1000110.8I97 V103I97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-V103 CarbonylContact C-O 3.59Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å
100S94.1Very high95Very high37 Ų3768.2 Ų68.226%0.25936%0.363SS..BIsolated β-bridgetrans-148.8178.2-17965.40000109.5K98 F102 V103K98-S100 PolarHBondContact O-N 3.07Å; S100-F102 PolarHBondContact O-N 2.8Å; S100-F102 PolarHBondContact OG-N 2.78Å; S100-V103 PolarHBondContact N-O 3.46Å; S100-V103 PolarHBondContact O-N 3.41Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.93Å
101D95Very high95Very high156 Ų15664.5 Ų64.583%0.83435%0.349SS*.THydrogen-bonded Turntrans-58.2-22.7177.5-57.7-33.8000113.2
102F96.2Very high95.1Very high67 Ų6765.8 Ų65.829%0.29436%0.358SS..THydrogen-bonded Turntrans-113.2-4.8-177.4-54.6-60.2000114.3S100 V109 Q110 L111 P112 V134S100-F102 PolarHBondContact O-N 2.8Å; S100-F102 PolarHBondContact OG-N 2.78Å; F102-V109 CarbonylContact O-C 3.57Å; F102-V109 VanDerWaalsContact O-CA 3.29Å; F102-V109 WeakPolarHBondContact O-CA 3.42Å; F102-Q110 WeakPolarHBondContact CA-O 3.5Å; F102-Q110 WeakPolarHBondContact CB-O 3.33Å; F102-Q110 WeakPolarHBondContact CD1-O 3.43Å; F102-Q110 PolarHBondContact O-N 3.3Å; F102-L111 HydrophobicContact CB-CD2 3.77Å; F102-L111 HydrophobicContact CD1-CD2 3.81Å; F102-L111 HydrophobicContact CD2-CD2 4.41Å; F102-L111 HydrophobicContact CG-CD2 3.74Å; F102-P112 HydrophobicContact CE1-CG 4.28Å; F102-V134 HydrophobicContact CB-CG1 4.36Å; F102-V134 HydrophobicContact CD2-CG1 3.44Å; F102-V134 VanDerWaalsContact CD2-CG1 3.44Å; F102-V134 HydrophobicContact CE2-CG1 3.97Å; F102-V134 HydrophobicContact CG-CG1 4.09Å
103V96.9Very high95.2Very high2 Ų265.1 Ų65.11%0.01235%0.349CS..BIsolated β-bridgetrans-140.3120.3-177.8-173.90000109.7V89 I97 P99 S100 L108 V109 F135 P140V89-V103 HydrophobicContact CG2-CG1 4.13Å; I97-V103 HydrophobicContact CG2-CG1 4.33Å; P99-V103 CarbonylContact C-O 3.59Å; P99-V103 VanDerWaalsContact CA-O 3.28Å; P99-V103 WeakPolarHBondContact CA-O 3.45Å; S100-V103 PolarHBondContact N-O 3.46Å; S100-V103 PolarHBondContact O-N 3.41Å; S100-V103 VanDerWaalsContact O-O 3.05Å; S100-V103 PolarHBondContact OG-N 2.93Å; V103-L108 WeakPolarHBondContact CA-O 3.31Å; V103-V109 HydrophobicContact CG2-CG1 4.43Å; V103-V109 HydrophobicContact CG2-CG2 4.14Å; V103-F135 HydrophobicContact CG2-CE1 3.69Å; V103-F135 HydrophobicContact CG2-CZ 4.21Å; V103-P140 HydrophobicContact CB-CB 4.48Å; V103-P140 HydrophobicContact CG1-CB 4.41Å; V103-P140 HydrophobicContact CG2-CB 3.93Å
104D95.2Very high95.4Very high87 Ų8761.4 Ų61.447%0.46533%0.329SS..  trans-81.5173.5178.3-161.74.8000112.1I97 D106 G107 L108I97-D104 WeakPolarHBondContact CG2-O 3.4Å; D104-D106 PolarHBondContact O-N 3.42Å; D104-G107 WeakPolarHBondContact O-CA 3.5Å; D104-G107 PolarHBondContact O-N 3.2Å; D104-L108 PolarHBondContact N-O 2.88Å
105S94.7Very high95.5Very high77 Ų7763.4 Ų63.454%0.53834%0.341SS..THydrogen-bonded Turntrans-58.6-29.1179.9-540000113.6G107S105-G107 VanDerWaalsContact C-N 3.25Å; S105-G107 PolarHBondContact O-N 3.04Å
106D93.6Very high95.5Very high128 Ų12867 Ų6768%0.68436%0.361SS*.THydrogen-bonded Turntrans-81.9-3174.8-65.7-33.1000113.1D104 L108D104-D106 PolarHBondContact O-N 3.42Å; D106-L108 VanDerWaalsContact C-N 3.31Å
107G95.2Very high95.6Very high0 Ų063.1 Ų63.10%034%0.342CS..  trans83.14.6-178.700000113.8Y88 V89 D104 S105 V109Y88-G107 CarbonylContact C-O 3.59Å; Y88-G107 VanDerWaalsContact CA-O 3.31Å; Y88-G107 WeakPolarHBondContact CA-O 3.48Å; V89-G107 PolarHBondContact N-O 3.5Å; D104-G107 WeakPolarHBondContact O-CA 3.5Å; D104-G107 PolarHBondContact O-N 3.2Å; S105-G107 VanDerWaalsContact C-N 3.25Å; S105-G107 PolarHBondContact O-N 3.04Å; G107-V109 PolarHBondContact O-N 3.47Å
108L96.7Very high95.6Very high43 Ų4368.8 Ų68.823%0.22537%0.366CS..EExtended strand (participates in β ladder)trans-63.9128.4173.4178.364.8000109.8V86 Y88 V103 D104 D106V86-L108 HydrophobicContact CG1-CD1 3.67Å; Y88-L108 HydrophobicContact CD1-CB 4.16Å; Y88-L108 HydrophobicContact CD1-CD1 4.49Å; Y88-L108 HydrophobicContact CE1-CB 3.72Å; Y88-L108 HydrophobicContact CE1-CD1 3.95Å; Y88-L108 HydrophobicContact CE1-CG 4.41Å; Y88-L108 HydrophobicContact CE2-CD1 4Å; V103-L108 WeakPolarHBondContact CA-O 3.31Å; D104-L108 PolarHBondContact N-O 2.88Å; D106-L108 VanDerWaalsContact C-N 3.31Å
109V97.6Very high95.4Very high2 Ų267.1 Ų67.11%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-96.3130.2179.7-174.50000110.2V87 V89 F102 V103 G107 L111 L131 F135V87-V109 HydrophobicContact CB-CB 4.05Å; V87-V109 HydrophobicContact CB-CG2 4.26Å; V87-V109 HydrophobicContact CG1-CB 4.19Å; V87-V109 HydrophobicContact CG1-CG2 3.89Å; V87-V109 PolarHBondContact O-N 3.46Å; V89-V109 HydrophobicContact CG2-CG2 3.76Å; F102-V109 CarbonylContact O-C 3.57Å; F102-V109 VanDerWaalsContact O-CA 3.29Å; F102-V109 WeakPolarHBondContact O-CA 3.42Å; V103-V109 HydrophobicContact CG2-CG1 4.43Å; V103-V109 HydrophobicContact CG2-CG2 4.14Å; G107-V109 PolarHBondContact O-N 3.47Å; V109-L111 HydrophobicContact CG1-CD1 4.16Å; V109-L111 HydrophobicContact CG1-CG 3.9Å; V109-L131 HydrophobicContact CG1-CD2 3.77Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.99Å
110Q96.5Very high95.3Very high126 Ų12668.3 Ų68.359%0.58937%0.367SS*.  trans-125.4110.8175.6-66.7-175.4-15.900109F102F102-Q110 WeakPolarHBondContact CA-O 3.5Å; F102-Q110 WeakPolarHBondContact CB-O 3.33Å; F102-Q110 WeakPolarHBondContact CD1-O 3.43Å; F102-Q110 PolarHBondContact O-N 3.3Å
111L96.3Very high95.2Very high4 Ų472.9 Ų72.92%0.02139%0.388CS..  trans-118.1148.9179-67.9173.3000110.9F102 V109 Y113 M114 T115 V130 L131 V134F102-L111 HydrophobicContact CB-CD2 3.77Å; F102-L111 HydrophobicContact CD1-CD2 3.81Å; F102-L111 HydrophobicContact CD2-CD2 4.41Å; F102-L111 HydrophobicContact CG-CD2 3.74Å; V109-L111 HydrophobicContact CG1-CD1 4.16Å; V109-L111 HydrophobicContact CG1-CG 3.9Å; L111-Y113 PolarHBondContact O-N 3.47Å; L111-M114 HydrophobicContact CB-CG 4.19Å; L111-M114 HydrophobicContact CB-SD 4.14Å; L111-M114 HydrophobicContact CD1-SD 4.46Å; L111-M114 HydrophobicContact CG-SD 4.4Å; L111-M114 PolarHBondContact O-N 2.93Å; L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 2.89Å; L111-V130 HydrophobicContact CD1-CG1 4.09Å; L111-L131 HydrophobicContact CD1-CD2 3.66Å; L111-L131 HydrophobicContact CD1-CG 4.15Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 3.99Å; L111-V134 HydrophobicContact CD2-CG2 3.94Å
112P95.9Very high95.1Very high76 Ų7665.8 Ų65.849%0.49435%0.352SS..Hα-helixtrans-52.5-41169.6-27.435.4000112.1F102 M114 T115 D116F102-P112 HydrophobicContact CE1-CG 4.28Å; P112-M114 VanDerWaalsContact C-N 3.25Å; P112-M114 PolarHBondContact O-N 3.44Å; P112-T115 WeakPolarHBondContact O-CA 3.38Å; P112-T115 WeakPolarHBondContact O-CB 3.17Å; P112-T115 PolarHBondContact O-N 2.96Å; P112-D116 PolarHBondContact O-N 3.5Å
113Y95.8Very high94.9Very high47 Ų4765.6 Ų65.618%0.18435%0.354CS..Hα-helixtrans-58.3-32.4176.6-173.2-95.4000113.9L111 W117 A122 D123 E126 L127 V130L111-Y113 PolarHBondContact O-N 3.47Å; Y113-W117 HydrophobicContact CD1-CE3 4.43Å; Y113-W117 HydrophobicContact CE1-CE3 4.03Å; Y113-W117 AromaticContact CE1-CZ3 3.85Å; Y113-W117 HydrophobicContact CE1-CZ3 3.85Å; Y113-W117 PolarHBondContact O-N 3.21Å; Y113-A122 WeakPolarHBondContact OH-CA 3.42Å; Y113-D123 PolarHBondContact OH-N 3.1Å; Y113-D123 PolarHBondContact OH-O 3.23Å; Y113-E126 HydrophobicContact CE2-CG 3.96Å; Y113-E126 WeakPolarHBondContact OH-CB 3.36Å; Y113-E126 WeakPolarHBondContact OH-CG 3.2Å; Y113-E126 PolarHBondContact OH-OE2 3.43Å; Y113-L127 HydrophobicContact CD1-CB 4.34Å; Y113-L127 HydrophobicContact CD1-CD1 3.78Å; Y113-L127 HydrophobicContact CE1-CB 3.89Å; Y113-L127 HydrophobicContact CE1-CD1 4.19Å; Y113-V130 HydrophobicContact CD2-CG2 4.19Å; Y113-V130 HydrophobicContact CG-CG2 4.19Å
114M95.6Very high94.8Very high25 Ų2565.6 Ų65.612%0.12335%0.354CS..Hα-helixtrans-80.8-28.4175.3-63166.871.900112.2A84 P85 V87 L111 P112 W117 L127A84-M114 HydrophobicContact CB-CB 4.49Å; P85-M114 WeakPolarHBondContact O-CE 3.49Å; V87-M114 HydrophobicContact CB-CE 4.29Å; V87-M114 HydrophobicContact CG2-CE 3.98Å; V87-M114 HydrophobicContact CG2-SD 4.38Å; L111-M114 HydrophobicContact CB-CG 4.19Å; L111-M114 HydrophobicContact CB-SD 4.14Å; L111-M114 HydrophobicContact CD1-SD 4.46Å; L111-M114 HydrophobicContact CG-SD 4.4Å; L111-M114 PolarHBondContact O-N 2.93Å; P112-M114 VanDerWaalsContact C-N 3.25Å; P112-M114 PolarHBondContact O-N 3.44Å; M114-W117 VanDerWaalsContact O-CB 3.26Å; M114-W117 WeakPolarHBondContact O-CB 3.46Å; M114-L127 HydrophobicContact CG-CD1 3.64Å; M114-L127 HydrophobicContact SD-CD1 4.22Å
115T94.4Very high94.9Very high115 Ų11563.4 Ų63.471%0.70634%0.343SS*.Hα-helixtrans-73.9-40.5178.6-52.70000110.9L111 P112 W117L111-T115 PolarHBondContact O-N 2.83Å; L111-T115 VanDerWaalsContact O-N 3.12Å; L111-T115 PolarHBondContact O-OG1 2.89Å; P112-T115 WeakPolarHBondContact O-CA 3.38Å; P112-T115 WeakPolarHBondContact O-CB 3.17Å; P112-T115 PolarHBondContact O-N 2.96Å; T115-W117 VanDerWaalsContact C-N 3.27Å; T115-W117 PolarHBondContact O-N 3.31Å
116D94.9Very high95Very high120 Ų12063.9 Ų63.964%0.64234%0.337SS*.SBendtrans-89.712.9177.6-65.7-35.7000113P112 K118P112-D116 PolarHBondContact O-N 3.5Å; D116-K118 PolarHBondContact O-N 3.23Å
117W96.5Very high95.1Very high19 Ų1957.8 Ų57.87%0.07230%0.304CS..  trans-57.1119-175.7-179.7-81.9000112Y80 P81 A84 P85 Y113 M114 T115 A122 L127Y80-W117 HydrophobicContact CD2-CZ2 4.43Å; Y80-W117 HydrophobicContact CE2-CH2 4.16Å; Y80-W117 AromaticContact CE2-CZ2 3.64Å; Y80-W117 HydrophobicContact CE2-CZ2 3.64Å; P81-W117 PolarHBondContact O-NE1 2.88Å; A84-W117 HydrophobicContact CB-CB 3.66Å; A84-W117 HydrophobicContact CB-CD2 3.94Å; A84-W117 HydrophobicContact CB-CE3 4.41Å; A84-W117 HydrophobicContact CB-CG 3.58Å; P85-W117 HydrophobicContact CG-CH2 4.13Å; P85-W117 HydrophobicContact CG-CZ2 4.4Å; P85-W117 HydrophobicContact CG-CZ3 4.45Å; Y113-W117 HydrophobicContact CD1-CE3 4.43Å; Y113-W117 HydrophobicContact CE1-CE3 4.03Å; Y113-W117 AromaticContact CE1-CZ3 3.85Å; Y113-W117 HydrophobicContact CE1-CZ3 3.85Å; Y113-W117 PolarHBondContact O-N 3.21Å; M114-W117 VanDerWaalsContact O-CB 3.26Å; M114-W117 WeakPolarHBondContact O-CB 3.46Å; T115-W117 VanDerWaalsContact C-N 3.27Å; T115-W117 PolarHBondContact O-N 3.31Å; W117-A122 HydrophobicContact CD2-CB 3.66Å; W117-A122 HydrophobicContact CE3-CB 3.65Å; W117-A122 HydrophobicContact CG-CB 4.17Å; W117-A122 HydrophobicContact CH2-CB 4.23Å; W117-A122 HydrophobicContact CZ2-CB 4.24Å; W117-A122 HydrophobicContact CZ3-CB 3.95Å; W117-L127 HydrophobicContact CZ3-CB 4.2Å; W117-L127 HydrophobicContact CZ3-CD2 4.23Å
118K95.3Very high95.2Very high148 Ų14857.8 Ų57.864%0.64330%0.304SS*.  trans-141.3123.4177.2-70178.1-175171.80110.5D116 D121 A122D116-K118 PolarHBondContact O-N 3.23Å; K118-D121 PolarHBondContact O-N 2.89Å; K118-A122 PolarHBondContact O-N 2.91Å
119H91.1Very high95.3Very high57 Ų5758.3 Ų58.326%0.26431%0.312SS..THydrogen-bonded Turntrans-75.5136.8169.8-17473000110.1P81P81-H119 HydrophobicContact CB-CB 4.09Å; P81-H119 HydrophobicContact CG-CB 4Å; P81-H119 VanDerWaalsContact CG-CG 3.45Å; P81-H119 WeakPolarHBondContact CG-ND1 3.42Å
120P92.7Very high95.2Very high98 Ų9860.1 Ų60.164%0.63632%0.323SS*.THydrogen-bonded Turncis-94.60.29.238.4-36.3000115.8A122P120-A122 VanDerWaalsContact C-N 3.33Å; P120-A122 PolarHBondContact O-N 3Å
121D92.2Very high95.3Very high133 Ų13354.1 Ų54.171%0.71130%0.295SS*.THydrogen-bonded Turntrans-70.1-30.6-172.2-58.1-30.4000112.6K118K118-D121 PolarHBondContact O-N 2.89Å
122A92.9Very high95.3Very high8 Ų856.3 Ų56.37%0.06631%0.305CS..  trans-95129.5176.200000111.8Y113 W117 K118 P120Y113-A122 WeakPolarHBondContact OH-CA 3.42Å; W117-A122 HydrophobicContact CD2-CB 3.66Å; W117-A122 HydrophobicContact CE3-CB 3.65Å; W117-A122 HydrophobicContact CG-CB 4.17Å; W117-A122 HydrophobicContact CH2-CB 4.23Å; W117-A122 HydrophobicContact CZ2-CB 4.24Å; W117-A122 HydrophobicContact CZ3-CB 3.95Å; K118-A122 PolarHBondContact O-N 2.91Å; P120-A122 VanDerWaalsContact C-N 3.33Å; P120-A122 PolarHBondContact O-N 3Å
123D92.2Very high95.4Very high63 Ų6355.6 Ų55.634%0.33731%0.305SS..  trans-123.7163.5173.98826000113.7Y113 V125 E126 L127Y113-D123 PolarHBondContact OH-N 3.1Å; Y113-D123 PolarHBondContact OH-O 3.23Å; D123-V125 WeakPolarHBondContact OD1-CA 3.46Å; D123-V125 PolarHBondContact OD1-N 2.88Å; D123-E126 WeakPolarHBondContact OD1-CA 3.46Å; D123-E126 WeakPolarHBondContact OD1-CB 3.46Å; D123-E126 PolarHBondContact OD1-N 3.01Å; D123-L127 PolarHBondContact O-N 3.49Å
124L95.8Very high95.4Very high2 Ų254.5 Ų54.51%0.0130%0.303CS..Hα-helixtrans-72.1-26.9-178-174.359.1000113.4D24 V25 A28 L55 I74 L76 P85 L127 I128D24-L124 HydrophobicContact CB-CB 4.45Å; V25-L124 HydrophobicContact CG2-CD2 4.33Å; A28-L124 HydrophobicContact CB-CD2 3.84Å; A28-L124 HydrophobicContact CB-CG 4.03Å; L55-L124 HydrophobicContact CD1-CD2 3.77Å; I74-L124 HydrophobicContact CD1-CD1 4.35Å; I74-L124 HydrophobicContact CG2-CD1 3.96Å; L76-L124 HydrophobicContact CD2-CD1 4.39Å; P85-L124 HydrophobicContact CG-CD1 4.16Å; L124-L127 HydrophobicContact CD1-CD2 4.19Å; L124-I128 WeakPolarHBondContact O-CD1 3.12Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.96Å; L124-I128 PolarHBondContact O-N 2.98Å
125V96.5Very high95.5Very high41 Ų4153.4 Ų53.425%0.24830%0.298CS..Hα-helixtrans-77.9-40.9-178.5174.50000110.4C27 A28 A31 F32 D123 I128 S129C27-V125 HydrophobicContact CB-CG2 4.27Å; A28-V125 HydrophobicContact CB-CG2 4.4Å; A31-V125 HydrophobicContact CB-CG1 4.33Å; F32-V125 HydrophobicContact CE2-CG1 4.21Å; D123-V125 WeakPolarHBondContact OD1-CA 3.46Å; D123-V125 PolarHBondContact OD1-N 2.88Å; V125-I128 PolarHBondContact O-N 3.12Å; V125-S129 PolarHBondContact O-N 3.21Å; V125-S129 PolarHBondContact O-OG 3.25Å
126E96.1Very high95.5Very high86 Ų8648.9 Ų48.940%0.40227%0.274SS..Hα-helixtrans-65.6-42.4172.4-174.4171.3-169.100110.3Y113 D123 I128 S129 V130Y113-E126 HydrophobicContact CE2-CG 3.96Å; Y113-E126 WeakPolarHBondContact OH-CB 3.36Å; Y113-E126 WeakPolarHBondContact OH-CG 3.2Å; Y113-E126 PolarHBondContact OH-OE2 3.43Å; D123-E126 WeakPolarHBondContact OD1-CA 3.46Å; D123-E126 WeakPolarHBondContact OD1-CB 3.46Å; D123-E126 PolarHBondContact OD1-N 3.01Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 2.82Å; E126-S129 CarbonylContact O-C 3.56Å; E126-S129 WeakPolarHBondContact O-CA 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.22Å; E126-S129 PolarHBondContact O-N 2.99Å; E126-V130 HydrophobicContact CG-CG2 4.4Å; E126-V130 VanDerWaalsContact O-CG2 3.31Å; E126-V130 WeakPolarHBondContact O-CG2 3.3Å; E126-V130 PolarHBondContact O-N 2.9Å
127L97.5Very high95.5Very high0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-52.7-47.2171178.161000111.7P85 V87 Y113 M114 W117 D123 L124 S129 V130 L131P85-L127 HydrophobicContact CB-CD2 4.07Å; P85-L127 HydrophobicContact CG-CD2 3.93Å; V87-L127 HydrophobicContact CG2-CD2 4.05Å; Y113-L127 HydrophobicContact CD1-CB 4.34Å; Y113-L127 HydrophobicContact CD1-CD1 3.78Å; Y113-L127 HydrophobicContact CE1-CB 3.89Å; Y113-L127 HydrophobicContact CE1-CD1 4.19Å; M114-L127 HydrophobicContact CG-CD1 3.64Å; M114-L127 HydrophobicContact SD-CD1 4.22Å; W117-L127 HydrophobicContact CZ3-CB 4.2Å; W117-L127 HydrophobicContact CZ3-CD2 4.23Å; D123-L127 PolarHBondContact O-N 3.49Å; L124-L127 HydrophobicContact CD1-CD2 4.19Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.89Å; L127-V130 PolarHBondContact O-N 3.15Å; L127-L131 HydrophobicContact CG-CD1 4.38Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.93Å
128I97.5Very high95.4Very high0 Ų052.4 Ų52.40%029%0.291CS..Hα-helixtrans-66.9-36.3178.3-62.4162.9000111.4A28 F32 L35 I59 I74 L124 V125 E126 L131 Q132A28-I128 HydrophobicContact CB-CD1 4.18Å; F32-I128 HydrophobicContact CD1-CG2 3.89Å; F32-I128 HydrophobicContact CD2-CB 4.14Å; F32-I128 HydrophobicContact CD2-CD1 3.57Å; F32-I128 HydrophobicContact CD2-CG1 4.45Å; F32-I128 HydrophobicContact CD2-CG2 3.8Å; F32-I128 HydrophobicContact CE1-CB 4.47Å; F32-I128 HydrophobicContact CE1-CG2 3.52Å; F32-I128 HydrophobicContact CE2-CB 3.55Å; F32-I128 HydrophobicContact CE2-CD1 3.75Å; F32-I128 HydrophobicContact CE2-CG1 4.26Å; F32-I128 HydrophobicContact CE2-CG2 3.42Å; F32-I128 VanDerWaalsContact CE2-CG2 3.42Å; F32-I128 HydrophobicContact CG-CD1 4.4Å; F32-I128 HydrophobicContact CG-CG2 4.02Å; F32-I128 HydrophobicContact CZ-CB 3.75Å; F32-I128 HydrophobicContact CZ-CG2 3.28Å; L35-I128 HydrophobicContact CD1-CD1 3.72Å; I59-I128 HydrophobicContact CB-CG2 4.4Å; I59-I128 HydrophobicContact CG2-CG2 3.64Å; I74-I128 HydrophobicContact CD1-CD1 3.91Å; I74-I128 HydrophobicContact CD1-CG1 3.68Å; L124-I128 WeakPolarHBondContact O-CD1 3.12Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.96Å; L124-I128 PolarHBondContact O-N 2.98Å; V125-I128 PolarHBondContact O-N 3.12Å; E126-I128 VanDerWaalsContact C-N 3.28Å; E126-I128 PolarHBondContact O-N 2.82Å; I128-L131 WeakPolarHBondContact O-CB 3.04Å; I128-L131 PolarHBondContact O-N 2.93Å; I128-Q132 WeakPolarHBondContact O-CG 3.41Å; I128-Q132 PolarHBondContact O-N 3.32Å
129S96.8Very high95.4Very high55 Ų5546 Ų4639%0.38527%0.265SS..Hα-helixtrans-66.1-40176.1-56.10000111.8V125 E126 L127 Q132 A133V125-S129 PolarHBondContact O-N 3.21Å; V125-S129 PolarHBondContact O-OG 3.25Å; E126-S129 CarbonylContact O-C 3.56Å; E126-S129 WeakPolarHBondContact O-CA 3.31Å; E126-S129 WeakPolarHBondContact O-CB 3.22Å; E126-S129 PolarHBondContact O-N 2.99Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 2.89Å; S129-Q132 WeakPolarHBondContact O-CB 3.29Å; S129-Q132 PolarHBondContact O-N 3.37Å; S129-A133 PolarHBondContact O-N 2.74Å
130V97.3Very high95.7Very high40 Ų4043.2 Ų43.224%0.24225%0.252CS..Hα-helixtrans-63.9-42.9172.91760000110.3L111 Y113 E126 L127 Q132 A133 V134L111-V130 HydrophobicContact CD1-CG1 4.09Å; Y113-V130 HydrophobicContact CD2-CG2 4.19Å; Y113-V130 HydrophobicContact CG-CG2 4.19Å; E126-V130 HydrophobicContact CG-CG2 4.4Å; E126-V130 VanDerWaalsContact O-CG2 3.31Å; E126-V130 WeakPolarHBondContact O-CG2 3.3Å; E126-V130 PolarHBondContact O-N 2.9Å; L127-V130 PolarHBondContact O-N 3.15Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.27Å; V130-A133 PolarHBondContact O-N 3.19Å; V130-V134 HydrophobicContact CG1-CG2 4.25Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.78Å
131L97.6Very high95.9Very high0 Ų039.1 Ų39.10%023%0.225CC..Hα-helixtrans-58-43.7173-72.5165.9000111.8I59 I72 V87 V109 L111 L127 I128 A133 F135I59-L131 HydrophobicContact CD1-CB 3.9Å; I72-L131 HydrophobicContact CD1-CD1 4.31Å; V87-L131 HydrophobicContact CG1-CD1 3.92Å; V87-L131 HydrophobicContact CG1-CD2 4.29Å; V87-L131 HydrophobicContact CG2-CD1 4.39Å; V109-L131 HydrophobicContact CG1-CD2 3.77Å; L111-L131 HydrophobicContact CD1-CD2 3.66Å; L111-L131 HydrophobicContact CD1-CG 4.15Å; L127-L131 HydrophobicContact CG-CD1 4.38Å; L127-L131 WeakPolarHBondContact O-CG 3.4Å; L127-L131 PolarHBondContact O-N 2.93Å; I128-L131 WeakPolarHBondContact O-CB 3.04Å; I128-L131 PolarHBondContact O-N 2.93Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.4Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.42Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 WeakPolarHBondContact O-CB 3.31Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 VanDerWaalsContact O-CG 3.23Å; L131-F135 WeakPolarHBondContact O-CG 3.46Å; L131-F135 PolarHBondContact O-N 2.95Å
132Q97.2Very high95.9Very high50 Ų5037.2 Ų37.223%0.23421%0.211CC..Hα-helixtrans-61.8-39.5176.5-72.6179.1-47.200112.7I59 P60 V61 I128 S129 V130 G136I59-Q132 HydrophobicContact CD1-CG 4.19Å; P60-Q132 WeakPolarHBondContact O-CG 3.45Å; P60-Q132 PolarHBondContact O-NE2 3.5Å; V61-Q132 HydrophobicContact CG2-CG 4.47Å; I128-Q132 WeakPolarHBondContact O-CG 3.41Å; I128-Q132 PolarHBondContact O-N 3.32Å; S129-Q132 WeakPolarHBondContact O-CB 3.29Å; S129-Q132 PolarHBondContact O-N 3.37Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.27Å; Q132-G136 PolarHBondContact O-N 2.86Å
133A96.4Very high95.9Very high60 Ų6040.9 Ų40.950%0.49624%0.236SC..Hα-helixtrans-66.9-52.6177.400000111.3S129 V130 L131 F135 G136 E137S129-A133 PolarHBondContact O-N 2.74Å; V130-A133 PolarHBondContact O-N 3.19Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 3.4Å; A133-F135 PolarHBondContact O-N 3.28Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.24Å; A133-E137 PolarHBondContact O-N 2.78Å
134V96.6Very high95.7Very high25 Ų2542.5 Ų42.515%0.15224%0.24CC..Hα-helixtrans-62.9-44.8-178.31750000111.5F102 L111 V130 G136 E137 T138F102-V134 HydrophobicContact CB-CG1 4.36Å; F102-V134 HydrophobicContact CD2-CG1 3.44Å; F102-V134 VanDerWaalsContact CD2-CG1 3.44Å; F102-V134 HydrophobicContact CE2-CG1 3.97Å; F102-V134 HydrophobicContact CG-CG1 4.09Å; L111-V134 HydrophobicContact CD2-CB 4.31Å; L111-V134 HydrophobicContact CD2-CG1 3.99Å; L111-V134 HydrophobicContact CD2-CG2 3.94Å; V130-V134 HydrophobicContact CG1-CG2 4.25Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.78Å; V134-G136 PolarHBondContact O-N 3.01Å; V134-E137 PolarHBondContact O-N 3.37Å; V134-T138 PolarHBondContact O-N 2.99Å
135F97.1Very high94.7Very high2 Ų247.9 Ų47.91%0.00928%0.278CS..Hα-helixtrans-71-19176.8-64.1-17.2000113.2I59 V61 I70 I72 V89 V103 V109 L131 A133 T138 S139 P140I59-F135 HydrophobicContact CD1-CD2 4.19Å; I59-F135 HydrophobicContact CD1-CE2 4.45Å; V61-F135 HydrophobicContact CB-CB 4.47Å; V61-F135 HydrophobicContact CG1-CB 3.68Å; V61-F135 WeakPolarHBondContact CG1-O 3.44Å; V61-F135 HydrophobicContact CG2-CB 4.01Å; V61-F135 HydrophobicContact CG2-CD2 4.45Å; I70-F135 HydrophobicContact CG2-CD2 4.19Å; I70-F135 HydrophobicContact CG2-CE2 4.4Å; I72-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CE2 4.21Å; V89-F135 HydrophobicContact CG2-CZ 3.79Å; V103-F135 HydrophobicContact CG2-CE1 3.69Å; V103-F135 HydrophobicContact CG2-CZ 4.21Å; V109-F135 HydrophobicContact CG1-CZ 4.38Å; V109-F135 HydrophobicContact CG2-CZ 3.99Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.32Å; L131-F135 HydrophobicContact CD2-CE1 4.42Å; L131-F135 HydrophobicContact CD2-CE2 3.89Å; L131-F135 HydrophobicContact CD2-CZ 3.74Å; L131-F135 WeakPolarHBondContact O-CB 3.31Å; L131-F135 WeakPolarHBondContact O-CD2 3.46Å; L131-F135 VanDerWaalsContact O-CG 3.23Å; L131-F135 WeakPolarHBondContact O-CG 3.46Å; L131-F135 PolarHBondContact O-N 2.95Å; A133-F135 PolarHBondContact O-N 3.28Å; F135-T138 WeakPolarHBondContact CA-O 3.43Å; F135-T138 CarbonylContact O-C 3.58Å; F135-S139 WeakPolarHBondContact O-CA 3.45Å; F135-S139 PolarHBondContact O-N 3.5Å; F135-P140 HydrophobicContact CB-CG 4.41Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.67Å; F135-P140 HydrophobicContact CD2-CG 3.86Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.77Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.17Å; F135-P140 HydrophobicContact CZ-CG 3.9Å
136G95.7Very high92.7Very high20 Ų2049.9 Ų49.921%0.20630%0.299CS..Hα-helixtrans-74.5-29.3173.500000113V61 R62 Y63 Q132 A133 V134V61-G136 VanDerWaalsContact CG1-N 3.32Å; R62-G136 WeakPolarHBondContact O-CA 3.42Å; Y63-G136 WeakPolarHBondContact CD2-O 3.27Å; Q132-G136 PolarHBondContact O-N 2.86Å; A133-G136 WeakPolarHBondContact O-CA 3.42Å; A133-G136 PolarHBondContact O-N 3.24Å; V134-G136 PolarHBondContact O-N 3.01Å
137E95.1Very high90.1Very high155 Ų15550.4 Ų50.472%0.72432%0.318SS*.Hα-helixtrans-81.3-49.9171.2-64.9-177.5177.800111.4A133 V134A133-E137 PolarHBondContact O-N 2.78Å; V134-E137 PolarHBondContact O-N 3.37Å
138T94.6Very high87.7Confident57 Ų5757.2 Ų57.235%0.3535%0.353SS..SBendtrans-129.6101.6-179.5-58.70000110.4V134 F135V134-T138 PolarHBondContact O-N 2.99Å; F135-T138 WeakPolarHBondContact CA-O 3.43Å; F135-T138 CarbonylContact O-C 3.58Å
139S94.9Very high84.9Confident13 Ų1362.8 Ų62.89%0.09139%0.387CS..  trans-62.2129.4178.5-167.90000111.4F135 V141F135-S139 WeakPolarHBondContact O-CA 3.45Å; F135-S139 PolarHBondContact O-N 3.5Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.39Å; S139-V141 VanDerWaalsContact OG-O 3.13Å
140P96.5Very high82.1Confident0 Ų071 Ų710%041%0.41CS..SBendtrans-81.8-3.6-176.736-39.5000112.9I70 V89 I97 K98 V103 F135I70-P140 HydrophobicContact CG2-CG 3.8Å; V89-P140 HydrophobicContact CG1-CB 4.36Å; V89-P140 HydrophobicContact CG1-CG 4.26Å; V89-P140 HydrophobicContact CG2-CB 3.95Å; V89-P140 HydrophobicContact CG2-CG 4.09Å; I97-P140 WeakPolarHBondContact CA-O 3.45Å; K98-P140 PolarHBondContact N-O 3.35Å; V103-P140 HydrophobicContact CB-CB 4.48Å; V103-P140 HydrophobicContact CG1-CB 4.41Å; V103-P140 HydrophobicContact CG2-CB 3.93Å; F135-P140 HydrophobicContact CB-CG 4.41Å; F135-P140 HydrophobicContact CD1-CB 4.01Å; F135-P140 HydrophobicContact CD1-CG 3.67Å; F135-P140 HydrophobicContact CD2-CG 3.86Å; F135-P140 HydrophobicContact CE1-CB 3.81Å; F135-P140 HydrophobicContact CE1-CG 3.77Å; F135-P140 HydrophobicContact CE2-CG 3.94Å; F135-P140 HydrophobicContact CG-CG 3.73Å; F135-P140 HydrophobicContact CZ-CB 4.17Å; F135-P140 HydrophobicContact CZ-CG 3.9Å
141V96.7Very high79.4Confident11 Ų1179.6 Ų79.67%0.06744%0.438CS..EExtended strand (participates in β ladder)trans-137.4155.3178.4-67.90000110.6I70 V89 P91 M95 Q96 S139I70-V141 HydrophobicContact CD1-CG2 3.78Å; I70-V141 HydrophobicContact CG2-CG2 4.47Å; V89-V141 HydrophobicContact CG1-CG1 3.53Å; P91-V141 HydrophobicContact CB-CG1 4.28Å; M95-V141 HydrophobicContact CB-CB 4.41Å; M95-V141 HydrophobicContact SD-CG2 4.12Å; Q96-V141 CarbonylContact O-C 3.45Å; Q96-V141 WeakPolarHBondContact O-CA 3.12Å; S139-V141 PolarHBondContact O-N 3.27Å; S139-V141 PolarHBondContact OG-O 3.39Å; S139-V141 VanDerWaalsContact OG-O 3.13Å
142F93.8Very high76.7Confident93 Ų9390.5 Ų90.541%0.40848%0.479SS..EExtended strand (participates in β ladder)trans-130.8155.1165.363.7-79.5000109.9M95 Q96 K98M95-F142 CarbonylContact C-O 3.55Å; M95-F142 VanDerWaalsContact CA-O 3.32Å; M95-F142 WeakPolarHBondContact CA-O 3.29Å; Q96-F142 HydrophobicContact CB-CD1 4.35Å; Q96-F142 HydrophobicContact CB-CE1 3.78Å; Q96-F142 HydrophobicContact CB-CE2 4.11Å; Q96-F142 HydrophobicContact CB-CZ 3.66Å; Q96-F142 HydrophobicContact CG-CE1 3.86Å; Q96-F142 HydrophobicContact CG-CZ 3.75Å; Q96-F142 PolarHBondContact N-O 3.05Å; Q96-F142 WeakPolarHBondContact O-CD1 3.48Å; Q96-F142 PolarHBondContact O-N 3.24Å; K98-F142 HydrophobicContact CB-CD1 4.01Å; K98-F142 HydrophobicContact CB-CE1 4.47Å
143S91Very high74Confident85 Ų8593.2 Ų93.259%0.59450%0.503SS*.EExtended strand (participates in β ladder)trans-74.1130.8174.9-1700000109.6T94 S145T94-S143 CarbonylContact O-C 3.59Å; T94-S143 WeakPolarHBondContact O-CA 3.37Å; S143-S145 PolarHBondContact O-N 2.86Å
144K89.5Confident71.4Confident97 Ų9796.5 Ų96.542%0.42251%0.512SS..  trans-61.2122.5166.5-65.7174.4-176.5155.70106.7N93 T94 M95 Q96 A146N93-K144 WeakPolarHBondContact O-CD 3.44Å; N93-K144 PolarHBondContact O-NZ 3.41Å; T94-K144 PolarHBondContact O-N 2.91Å; M95-K144 WeakPolarHBondContact O-CE 3.35Å; M95-K144 PolarHBondContact O-NZ 2.81Å; Q96-K144 HydrophobicContact CB-CG 4.25Å; K144-A146 PolarHBondContact O-N 3.42Å
145S74.7Confident69Low116 Ų116102.2 Ų102.281%0.81154%0.541SS*.  trans-57110.4174.5-60.30000108.7S143 A147S143-S145 PolarHBondContact O-N 2.86Å; S145-A147 PolarHBondContact O-N 3.19Å
146A54.9Low66.9Low82 Ų82107.8 Ų107.868%0.67858%0.578SS**  trans-56.6132.2160.400000106K144 I148K144-A146 PolarHBondContact O-N 3.42Å; A146-I148 PolarHBondContact O-N 2.89Å
147A41.3Very low64.8Low98 Ų98112.6 Ų112.681%0.8161%0.605SS**  trans-50.7104.117500000108.2S145 T149S145-A147 PolarHBondContact O-N 3.19Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 2.93Å
148I45.7Very low62.5Low143 Ų143110.3 Ų110.373%0.73361%0.607SS**  trans-69.796.3175.4-65.4171000104.5A146 R150A146-I148 PolarHBondContact O-N 2.89Å; I148-R150 HydrophobicContact CG2-CG 4.08Å; I148-R150 PolarHBondContact O-N 2.79Å
149T38.6Very low60.2Low117 Ų117115.2 Ų115.272%0.71863%0.631SS**  trans-56.999.1149.1-62.70000105A147 R151A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 2.93Å; T149-R151 HydrophobicContact CG2-CG 4.46Å; T149-R151 PolarHBondContact O-N 2.9Å
150R39.5Very low57.7Low227 Ų227119.6 Ų119.686%0.85766%0.659SS**  trans-60.387.6169.7-80.5-174.8178.7174.6-0107.4I148 R152I148-R150 HydrophobicContact CG2-CG 4.08Å; I148-R150 PolarHBondContact O-N 2.79Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.81Å
151R41Very low55.1Low220 Ų220128.6 Ų128.683%0.8370%0.701SS**  trans-73.195.3156-83.3-168174.8-176.6-2.4106.9T149 S153T149-R151 HydrophobicContact CG2-CG 4.46Å; T149-R151 PolarHBondContact O-N 2.9Å; R151-S153 PolarHBondContact O-N 2.83Å
152R39.2Very low52.2Low230 Ų230134.3 Ų134.387%0.86874%0.74SS**  trans-72.2106.6169.4-156.7178.5-175.8-174.6-0.2106.8R150 L154R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 2.81Å; R152-L154 HydrophobicContact CG-CD1 4.43Å
153S41.3Very low49.4Very low107 Ų107138.3 Ų138.375%0.74876%0.764SS**  trans-138.492164.1-179.60000105.2R151R151-S153 PolarHBondContact O-N 2.83Å
154L41.6Very low46.9Very low129 Ų129138 Ų13868%0.67577%0.773SS**  42.68292.1-71.8102.7000112.7R152R152-L154 HydrophobicContact CG-CD1 4.43Å
155N47.4Very low44.7Very low144 Ų144138.7 Ų138.777%0.7779%0.791SS**  162.7128.3114.9-78.5-14.7000111.1
156P51.3Low43.5Very low120 Ų120141 Ų14178%0.77979%0.79SS**  trans-98.7146157.434.3-25.4000110.7
157P52.2Low42.9Very low120 Ų120142.8 Ų142.878%0.77980%0.795SS**  trans-90.7119.5164.430.8-22.9000110.9
158S46.5Very low43.3Very low108 Ų108148.2 Ų148.276%0.75580%0.796SS**  trans28.8116.2140.6580000119.9
159N46.1Very low43Very low160 Ų160147 Ų14786%0.85680%0.798SS**  -152.1135.4129.7-137.817.5000110.1
160P42.2Very low43.4Very low104 Ų104145.2 Ų145.268%0.67580%0.802SS**  trans-90.8166.4-179.834.9-29.5000111.9
161Q42.9Very low43.6Very low190 Ų190140.7 Ų140.789%0.88880%0.8SS**  trans95.998.5165.8-51-172.3-36.500116.7
162C34.7Very low43.9Very low131 Ų131138.4 Ų138.489%0.88580%0.804SS**  -171.4147.4100.661.80000111.5
163I36.5Very low44.1Very low177 Ų177132.6 Ų132.691%0.90880%0.796SS**  trans-86.4131.2-176.1-67.6161.8000107.8
164G38.6Very low44.7Very low77 Ų77136.2 Ų136.279%0.79480%0.801SS**  trans-172.388.2178.600000113
165S42.7Very low45Very low112 Ų112135.3 Ų135.378%0.78380%0.803SS**  trans-69.7135.4174.448.10000113.7
166M50.2Low44.8Very low164 Ų164134.3 Ų134.381%0.80880%0.804SS**  177.9132.8125.4-107.3-157.6179.400111.4
167P40.9Very low45.2Very low120 Ų120135.5 Ų135.578%0.77981%0.809SS**  trans-104139.2159.233.5-22.5000110.8
168Y50.2Low44.8Very low213 Ų213135.7 Ų135.784%0.83581%0.81SS**  trans-117.9124.5166.8-123.7-82.8000109.3
169P40.2Very low44.6Very low117 Ų117137 Ų13776%0.7681%0.813SS**  trans-99142.7164.134.4-24.8000110
170G45.8Very low44.6Very low79 Ų79138 Ų13881%0.81482%0.815SS**  trans-168.397.9178.600000112.2
171T44.8Very low44.6Very low132 Ų132137.7 Ų137.781%0.8181%0.813SS**  trans-63.9148.4176.650.60000113.6
172L47.3Very low44.3Very low173 Ų173136.2 Ų136.291%0.90681%0.811SS**  trans-160.8122.8141.5-99.7166.9000109.8
173P43.5Very low44.6Very low108 Ų108133.7 Ų133.770%0.70181%0.807SS**  trans-108165.4176.536.7-28.3000113.8
174Q52.7Low44.6Very low182 Ų182133.7 Ų133.785%0.8580%0.803SS**  trans117.4155.8158.9-70.6-166.3-8.600115.9
175P49.2Very low44.6Very low111 Ų111135.5 Ų135.572%0.72180%0.804SS**  cis-134.6166.2-21.730-9.8000114.5
176P43.1Very low44.4Very low123 Ų123134.9 Ų134.980%0.79980%0.8SS**  trans-110.4146.3172.937.2-26.2000113.6
177V58.9Low43.5Very low145 Ų145134.4 Ų134.488%0.87980%0.801SS**  trans-160.6164.3163.6-74.10000109.5
178P43.6Very low43.3Very low123 Ų123134.6 Ų134.680%0.79980%0.799SS**  -129.5165.3-73.231-10.1000113.6
179V41.8Very low42.3Very low136 Ų136134.7 Ų134.782%0.82480%0.799SS**  trans-80.3142.2172.8170.10000111.2
180M46.5Very low42Very low181 Ų181136.7 Ų136.789%0.89280%0.803SS**  trans-148.7158152.1-98.6-159.169.200112
181P42.9Very low41.5Very low98 Ų98138.7 Ų138.764%0.63680%0.802SS**  trans-118.4165.7-142.641.4-29.3000115.2
182N36.6Very low41.2Very low158 Ų158141.8 Ų141.885%0.84581%0.807SS**  trans40.6115.6142.9-129.338000119.8
183G41.6Very low40.5Very low79 Ų79141.9 Ų141.981%0.81481%0.807SS**  trans-148.4107.3162.600000111.1
184Q35.8Very low40.1Very low176 Ų176140.4 Ų140.482%0.82281%0.812SS**  trans-72.1174.4167-74.9171-51.100111.4
185S39.1Very low39.3Very low115 Ų115137.2 Ų137.280%0.80482%0.817SS**  trans92.1137.6170.477.80000114.3
186S37.8Very low38.6Very low100 Ų100135.2 Ų135.270%0.69982%0.816SS**  cis-174.6145.6-3.5290000107.2
187N31.4Very low38.1Very low154 Ų154142 Ų14282%0.82483%0.826SS**  trans-56.2137.7166.7-83.9-27000111.5
188V35.6Very low36.9Very low123 Ų123144.1 Ų144.175%0.74583%0.826SS**  trans-138.7117.7158.2-178.60000109
189Y29.3Very low36.6Very low215 Ų215145.6 Ų145.684%0.84383%0.826SS**  trans-78.8145.1163.3-85.2-95.8000110
190L34.9Very low36.1Very low159 Ų159144.4 Ų144.483%0.83282%0.821SS**  trans-139.7130.4158.9-127108.8000109.2
191P35.6Very low35.5Very low122 Ų122143.1 Ų143.179%0.79282%0.818SS**  trans-97.5147.6175.135.7-28.3000111.5
192Q37.3Very low35.2Very low196 Ų196144 Ų14492%0.91683%0.826SS**  trans-131.5125.4169.2-172170.2-26.300110.9
193L34.1Very low35.3Very low175 Ų175142.4 Ų142.492%0.91682%0.822SS**  trans-70.2142171.8-83.7132.8000111.6
194G34.9Very low35.1Very low77 Ų77143.9 Ų143.979%0.79482%0.817SS**  trans179110.816700000111.8
195A35.9Very low35Very low116 Ų116143.3 Ų143.396%0.95982%0.818SS**  trans-75.2142.9-17500000113.5
196G33.4Very low34.9Very low68 Ų68143.9 Ų143.970%0.70181%0.811SS**  trans177.5122.2169.600000110.9Q198G196-Q198 PolarHBondContact O-N 2.95Å
197W33.1Very low34.9Very low265 Ų265144.2 Ų144.2100%1.00481%0.811SS**  trans-59.9113.9-177.7-69.991.8000112.4
198Q33.5Very low35Very low190 Ų190144.3 Ų144.389%0.88881%0.812SS**  trans-141.2140160.5-69-170.6-74.800110.6G196G196-Q198 PolarHBondContact O-N 2.95Å
199I37Very low35.1Very low154 Ų154144.8 Ų144.879%0.7981%0.809SS**  trans-56.9136.3-173.3-60.6156.8000110.6D201I199-D201 PolarHBondContact O-N 3.46Å
200P32.6Very low35.5Very low112 Ų112139.7 Ų139.773%0.72780%0.802SS**  trans-88.1101.4179.333.3-28000110.1
201D32.8Very low35.5Very low153 Ų153140.1 Ų140.182%0.81880%0.802SS**  trans-11878.4154.9-87.6-38.6000108.1I199I199-D201 PolarHBondContact O-N 3.46Å
202S36.1Very low35.7Very low116 Ų116138.8 Ų138.881%0.81179%0.793SS**  trans-103.7100.1165.4-61.70000107.8
203V39.8Very low35.8Very low125 Ų125138.3 Ų138.376%0.75879%0.791SS**  trans-52.9135.1170.3-126.70000109.9I205V203-I205 PolarHBondContact O-N 3.06Å; V203-I205 VanDerWaalsContact O-N 3.12Å
204P36.9Very low36Very low110 Ų110137.8 Ų137.871%0.71479%0.788SS**  trans-70.7110.7165.517.6-8.9000107.9L206P204-L206 PolarHBondContact O-N 3.41Å
205I34.1Very low36.2Very low164 Ų164137.8 Ų137.884%0.84177%0.774SS**  trans-59.4103.6164.5-67.1167.8000106.6V203V203-I205 PolarHBondContact O-N 3.06Å; V203-I205 VanDerWaalsContact O-N 3.12Å
206L36.4Very low36.3Very low127 Ų127138.3 Ų138.367%0.66576%0.761SS**  trans-63.7139.1166.4-104.494.4000108.7P204 N208P204-L206 PolarHBondContact O-N 3.41Å; L206-N208 PolarHBondContact O-N 3.33Å
207P37.4Very low36.5Very low107 Ų107140.5 Ų140.570%0.69575%0.751SS**  trans-62.8127.117127.5-30.7000108.5I209P207-I209 PolarHBondContact O-N 3.28Å
208N34.1Very low36.8Very low156 Ų156131.8 Ų131.883%0.83474%0.735SS**  trans-38.798.7174-167.659.6000111.5L206 P210L206-N208 PolarHBondContact O-N 3.33Å; N208-P210 WeakPolarHBondContact O-CD 3.29Å
209I37.6Very low37.2Very low134 Ų134126.3 Ų126.369%0.68773%0.73SS**PPolyproline II helixtrans-76.6119.9170-60.2176.6000106.1P207 M211P207-I209 PolarHBondContact O-N 3.28Å; I209-M211 PolarHBondContact O-N 2.67Å; I209-M211 VanDerWaalsContact O-N 3.14Å
210P38.7Very low37.2Very low107 Ų107121.9 Ų121.970%0.69571%0.711SS**PPolyproline II helixtrans-62.8119.9175.1-10.724.2000108.5N208N208-P210 WeakPolarHBondContact O-CD 3.29Å
211M35Very low37.4Very low169 Ų169121.6 Ų121.683%0.83370%0.699SS**PPolyproline II helixtrans-56.5131.3170.5-159.7-174.6-134.100108.5I209 Q213I209-M211 PolarHBondContact O-N 2.67Å; I209-M211 VanDerWaalsContact O-N 3.14Å; M211-Q213 PolarHBondContact O-N 2.83Å
212P40Very low37.6Very low93 Ų93120 Ų12060%0.60469%0.694SS**  trans-69.5107.2177.315.5-9.9000108.2L214P212-L214 PolarHBondContact O-N 2.87Å
213Q39.3Very low37.7Very low187 Ų187123.9 Ų123.987%0.87470%0.7SS**  trans-59.1126.5170.8-65.1-166.9-59.600109.1M211M211-Q213 PolarHBondContact O-N 2.83Å
214L36.6Very low37.5Very low164 Ų164122.7 Ų122.786%0.85970%0.703SS**  trans-50.3127.7170.4-115.887000108.9P212 N216P212-L214 PolarHBondContact O-N 2.87Å; L214-N216 PolarHBondContact O-N 3.06Å
215P39.9Very low37.5Very low77 Ų77122 Ų12250%0.571%0.706SS.*  trans-75.6112-175-11.928.4000109.7F217 M310P215-F217 PolarHBondContact O-N 3.2Å; P215-F217 VanDerWaalsContact O-N 3.15Å; P215-M310 HydrophobicContact CB-CE 3.31Å; P215-M310 HydrophobicContact CB-SD 3.53Å; P215-M310 VanDerWaalsContact CB-SD 3.53Å; P215-M310 HydrophobicContact CG-CE 3.74Å; P215-M310 HydrophobicContact CG-CG 4.08Å; P215-M310 HydrophobicContact CG-SD 3.41Å; P215-M310 WeakPolarHBondContact CG-SD 3.48Å
216N38.9Very low37.5Very low127 Ų127121.8 Ų121.868%0.67971%0.707SS**  trans-67.3107.1175.2-165.674.8000109.7L214 A218L214-N216 PolarHBondContact O-N 3.06Å; N216-A218 PolarHBondContact O-N 2.89Å
217F36.7Very low37.4Very low114 Ų114121.5 Ų121.550%0.571%0.711SS.*  trans-70.7102170.8-97.9-121.3000110.4P215 I307 M310P215-F217 PolarHBondContact O-N 3.2Å; P215-F217 VanDerWaalsContact O-N 3.15Å; F217-I307 HydrophobicContact CD1-CD1 3.75Å; F217-I307 HydrophobicContact CD1-CG1 3.79Å; F217-I307 HydrophobicContact CE1-CB 3.79Å; F217-I307 HydrophobicContact CE1-CD1 3.23Å; F217-I307 HydrophobicContact CE1-CG1 3.06Å; F217-I307 HydrophobicContact CE1-CG2 3.62Å; F217-I307 HydrophobicContact CE2-CG1 4.26Å; F217-I307 HydrophobicContact CZ-CB 3.66Å; F217-I307 HydrophobicContact CZ-CD1 4.04Å; F217-I307 HydrophobicContact CZ-CG1 3.34Å; F217-I307 HydrophobicContact CZ-CG2 3.46Å; F217-I307 VanDerWaalsContact CZ-CG2 3.46Å; F217-M310 HydrophobicContact CD2-CE 3.61Å; F217-M310 HydrophobicContact CD2-SD 3.92Å; F217-M310 HydrophobicContact CE2-CE 3.26Å; F217-M310 HydrophobicContact CE2-SD 3.43Å; F217-M310 WeakPolarHBondContact CE2-SD 3.38Å; F217-M310 HydrophobicContact CZ-CE 4.31Å
218A38.9Very low37.3Very low81 Ų81122.9 Ų122.967%0.66971%0.713SS**  trans-176.1110.5144.600000111.7N216N216-A218 PolarHBondContact O-N 2.89Å
219G42.1Very low37.2Very low76 Ų76122.8 Ų122.878%0.78471%0.711SS**  trans87.1118.9147.600000118.4
220P36.2Very low36.9Very low60 Ų60122.1 Ų122.139%0.3972%0.717SS.*  trans-90.4150-178.935.9-30.1000112
221F37Very low36.6Very low107 Ų107123 Ų12347%0.46973%0.725SS.*  171.6104.9124.8-92-71.3000110.6Q295F221-Q295 HydrophobicContact CE1-CG 3.91Å; F221-Q295 HydrophobicContact CE2-CG 4.1Å; F221-Q295 HydrophobicContact CZ-CG 3.55Å; F221-Q295 WeakPolarHBondContact CZ-O 3.22Å
222T38.7Very low36.5Very low118 Ų118123.7 Ų123.772%0.72473%0.729SS**  trans48.9116139.859.20000120.9
223Q36.4Very low36.5Very low199 Ų199125.1 Ų125.193%0.9374%0.738SS**  -154.7102.9118.4-116.417419.500109.6
224A36.8Very low36.2Very low100 Ų100120 Ų12083%0.82674%0.735SS**  trans-90.3114156.600000106.2N226A224-N226 PolarHBondContact O-N 3.46Å
225A36.3Very low36.3Very low94 Ų94121.4 Ų121.478%0.77774%0.738SS**  trans-69.1123.1165.200000108.1
226N34.5Very low35.9Very low160 Ų160125.3 Ų125.386%0.85675%0.754SS**  trans-142.6106.2154.8-102.1-10.9000108.2A224A224-N226 PolarHBondContact O-N 3.46Å
227T34.8Very low35.9Very low121 Ų121125.9 Ų125.974%0.74276%0.762SS**  trans-54125.9157.529.50000110.7
228N34.7Very low35.7Very low137 Ų137128.1 Ų128.173%0.73378%0.778SS**  160.4126.3128.3-80.3-19.6000113.6
229L31.7Very low35.5Very low153 Ų153132.2 Ų132.280%0.80179%0.786SS**  trans48.8115139.6-73.687.9000121
230C30.9Very low35.9Very low121 Ų121134.7 Ų134.782%0.81879%0.788SS**  170.3103.6125.9-86.70000108.3
231S34.1Very low36.1Very low124 Ų124138 Ų13887%0.86781%0.807SS**  59.999.293.3-66.60000114.7
232M32.2Very low36.1Very low185 Ų185138.5 Ų138.591%0.91182%0.822SS**  trans-85150168.1-67.4-77.8-17300111
233P39.7Very low36.4Very low123 Ų123138.8 Ų138.880%0.79983%0.826SS**  trans-108.7139.5144.933.1-22.1000110.3
234G33.1Very low36.4Very low78 Ų78136.7 Ų136.780%0.80482%0.821SS**  trans-73.9160.1-172.500000115.3
235Q38.2Very low36.4Very low195 Ų195138.1 Ų138.191%0.91182%0.819SS**  trans-147.2118.6150.2-119.4177.5-8.900109.7
236N32.7Very low36.5Very low158 Ų158139.4 Ų139.485%0.84582%0.822SS**  trans-51.2130.5168.7-83.5-20.9000111.2
237V37.7Very low36.7Very low139 Ų139136.1 Ų136.184%0.84282%0.818SS**  trans-133.8119.4146.3-172.10000108.3
238L32.2Very low36.9Very low162 Ų162137.2 Ų137.285%0.84883%0.825SS**PPolyproline II helixtrans-67.5138.1-175.7-74.8147.7000111.9
239M35.9Very low37.1Very low167 Ų167135.5 Ų135.582%0.82382%0.823SS**PPolyproline II helixtrans-77.4141.8163.5-52.2-76.1-94.300108.4V241M239-V241 PolarHBondContact O-N 2.94Å
240P51.2Low37.6Very low128 Ų128134.7 Ų134.783%0.83182%0.82SS**PPolyproline II helixtrans-73.7118.3171.1-7.724.4000109.6
241V38.5Very low38.2Very low130 Ų130136 Ų13679%0.78882%0.815SS**PPolyproline II helixtrans-71.9131.4167165.30000108.9M239M239-V241 PolarHBondContact O-N 2.94Å
242C38.4Very low38.3Very low116 Ų116136.2 Ų136.278%0.78481%0.806SS**PPolyproline II helixtrans-73.5127.8166.6-43.60000108.7
243P45.4Very low38.5Very low124 Ų124135.4 Ų135.481%0.80579%0.794SS**PPolyproline II helixtrans-82.1136173-5.223.3000111
244D35.6Very low38.6Very low156 Ų156136.9 Ų136.983%0.83480%0.796SS**PPolyproline II helixtrans-66154178.1-146.4-14.3000112.7
245V36.8Very low38.9Very low129 Ų129141.2 Ų141.278%0.78280%0.799SS**PPolyproline II helixtrans-80.5127.1-175.9-179.80000109.1
246S39.3Very low39.2Very low121 Ų121136.6 Ų136.685%0.84679%0.788SS**  trans-148.1126.8160.9-78.30000111.7
247A38.3Very low39.8Very low92 Ų92135 Ų13576%0.7678%0.784SS**  trans-52142.7-172.500000116.1
248T38.8Very low40.6Very low144 Ų144134.7 Ų134.788%0.88378%0.777SS**  trans-143.8121.8132.741.70000109.7
249S38.8Very low42.2Very low100 Ų100131.6 Ų131.670%0.69976%0.761SS**  trans-60.8138.8171.754.70000112.5
250N42.5Very low44Very low137 Ų137130.3 Ų130.373%0.73375%0.753SS**  174.9142.6124.6-91.8-14.4000111.8
251M43.5Very low45.3Very low147 Ų147131 Ų13172%0.72475%0.745SS**  trans72.591.1171-49.1-55.5177.200114.1
252L35Very low47.2Very low129 Ų129130.4 Ų130.468%0.67573%0.734SS**  62.7131.663.3-142.963.2000112.4
253Y36.6Very low49.2Very low168 Ų168129 Ų12966%0.65972%0.718SS**  trans57.998167.117.9-109.8000120.4
254N41.6Very low51.1Low155 Ų155131.4 Ų131.483%0.82971%0.71SS**  -175.199.3106.7-92.9-28.5000111.9S256N254-S256 PolarHBondContact O-N 3.45Å
255I40.6Very low53.5Low169 Ų169129.3 Ų129.387%0.86770%0.699SS**  trans-73.2101.2156.2-71.9164.1000105.5
256S43.5Very low55.9Low98 Ų98127 Ų12769%0.68569%0.688SS**  trans179.7125.9157.3-78.60000109.6N254N254-S256 PolarHBondContact O-N 3.45Å
257T46.3Very low58.4Low124 Ų124125.3 Ų125.376%0.76167%0.673SS**  trans66.188.2165.468.60000117.9N259T257-N259 PolarHBondContact O-N 3.29Å
258L54.7Low61Low133 Ų133126 Ų12670%0.69666%0.663SS**  trans-56.3115153.9-88.9150.5000108.3E260 I263L258-E260 PolarHBondContact O-N 2.76Å; L258-I263 HydrophobicContact CB-CD1 4.19Å
259N64.6Low63.5Low96 Ų96122.7 Ų122.751%0.51364%0.643SS.*  trans-61.7131.4174.3-79.3-14.2000109T257 E261 Q262T257-N259 PolarHBondContact O-N 3.29Å; N259-E261 PolarHBondContact O-N 3.49Å; N259-Q262 PolarHBondContact O-N 2.94Å
260E73.6Confident66Low140 Ų140120.5 Ų120.565%0.65463%0.63SS**Hα-helixtrans-50.3-30.5-179.9-167.4175152.300112.4L258 I263 R264L258-E260 PolarHBondContact O-N 2.76Å; E260-I263 PolarHBondContact O-N 3.23Å; E260-R264 VanDerWaalsContact O-CG 3.28Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 2.86Å
261E78.4Confident68.5Low142 Ų142118 Ų11866%0.66462%0.62SS**Hα-helixtrans-64.5-38174.9-72.8178.6149.100114.5N259 I263 R264 L265N259-E261 PolarHBondContact O-N 3.49Å; E261-I263 VanDerWaalsContact C-N 3.35Å; E261-R264 PolarHBondContact O-N 3.33Å; E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å
262Q78Confident71Confident119 Ų119114.2 Ų114.256%0.55661%0.605SS**Hα-helixtrans-68.1-37.4178-77.8177-40.200111.4N259 S266N259-Q262 PolarHBondContact O-N 2.94Å; Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å
263I81.5Confident73.8Confident87 Ų87110.9 Ų110.945%0.44659%0.588SS.*Hα-helixtrans-66.9-44.9174.2-59.3175.2000109.7L258 E260 E261 L265 S266 V267L258-I263 HydrophobicContact CB-CD1 4.19Å; E260-I263 PolarHBondContact O-N 3.23Å; E261-I263 VanDerWaalsContact C-N 3.35Å; I263-L265 PolarHBondContact O-N 2.65Å; I263-S266 WeakPolarHBondContact O-CB 3.29Å; I263-S266 PolarHBondContact O-N 2.92Å; I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.41Å; I263-V267 PolarHBondContact O-N 2.87Å
264R86.2Confident76.5Confident173 Ų173107.9 Ų107.965%0.65358%0.58SS**Hα-helixtrans-60.9-43.3177.5-72.6178.793.71524.6112.4E260 E261 V267 L268E260-R264 VanDerWaalsContact O-CG 3.28Å; E260-R264 WeakPolarHBondContact O-CG 3.48Å; E260-R264 PolarHBondContact O-N 2.86Å; E261-R264 PolarHBondContact O-N 3.33Å; R264-V267 PolarHBondContact O-N 3.11Å; R264-L268 WeakPolarHBondContact O-CB 3.47Å; R264-L268 PolarHBondContact O-N 3.21Å
265L85.9Confident79.1Confident113 Ų113104.7 Ų104.759%0.59257%0.566SS**Hα-helixtrans-64.8-39.5175.6-75166.9000112.2E261 I263 L268 T269E261-L265 WeakPolarHBondContact O-CB 3.41Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å; I263-L265 PolarHBondContact O-N 2.65Å; L265-L268 PolarHBondContact O-N 3.24Å; L265-T269 WeakPolarHBondContact O-CB 3.48Å; L265-T269 PolarHBondContact O-N 2.69Å; L265-T269 PolarHBondContact O-OG1 2.78Å
266S85.7Confident81.7Confident80 Ų80103.8 Ų103.856%0.55955%0.552SS**Hα-helixtrans-62.9-44.7175.1-175.20000111.8Q262 I263 A270Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å; I263-S266 WeakPolarHBondContact O-CB 3.29Å; I263-S266 PolarHBondContact O-N 2.92Å; S266-A270 WeakPolarHBondContact O-CB 3.38Å; S266-A270 PolarHBondContact O-N 2.83Å
267V91.5Very high84.2Confident85 Ų85106.5 Ų106.552%0.51555%0.547SS..Hα-helixtrans-66.6-44.2178.4173.60000110.8I263 R264 T269 A270 V271I263-V267 HydrophobicContact CG2-CG2 4.45Å; I263-V267 WeakPolarHBondContact O-CG2 3.41Å; I263-V267 PolarHBondContact O-N 2.87Å; R264-V267 PolarHBondContact O-N 3.11Å; V267-T269 PolarHBondContact O-N 3.23Å; V267-A270 PolarHBondContact O-N 3.29Å; V267-V271 HydrophobicContact CG1-CG2 4.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 2.89Å
268L92.7Very high86.5Confident107 Ų107104.2 Ų104.256%0.5653%0.532SS*.Hα-helixtrans-61.8-45178.5-165.8159.3000111.1R264 L265 A270 V271 V272R264-L268 WeakPolarHBondContact O-CB 3.47Å; R264-L268 PolarHBondContact O-N 3.21Å; L265-L268 PolarHBondContact O-N 3.24Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.76Å; L268-V271 PolarHBondContact O-N 2.83Å; L268-V272 HydrophobicContact CD2-CG2 3.85Å; L268-V272 WeakPolarHBondContact O-CG2 3.19Å; L268-V272 PolarHBondContact O-N 3.14Å
269T91.6Very high88.5Confident75 Ų75103.3 Ų103.346%0.4653%0.525SS..Hα-helixtrans-60.9-44.3175.6-54.90000111.2L265 V267 V271 V272 D273L265-T269 WeakPolarHBondContact O-CB 3.48Å; L265-T269 PolarHBondContact O-N 2.69Å; L265-T269 PolarHBondContact O-OG1 2.78Å; V267-T269 PolarHBondContact O-N 3.23Å; T269-V271 PolarHBondContact O-N 2.78Å; T269-V272 PolarHBondContact O-N 3.41Å; T269-D273 WeakPolarHBondContact O-CB 3.47Å; T269-D273 PolarHBondContact O-N 2.62Å
270A92.4Very high89.9Confident53 Ų53104.5 Ų104.544%0.43853%0.525SS..Hα-helixtrans-61.8-40.817700000112.6S266 V267 L268 Q274S266-A270 WeakPolarHBondContact O-CB 3.38Å; S266-A270 PolarHBondContact O-N 2.83Å; V267-A270 PolarHBondContact O-N 3.29Å; L268-A270 VanDerWaalsContact C-N 3.35Å; L268-A270 PolarHBondContact O-N 2.76Å; A270-Q274 VanDerWaalsContact O-CB 3.32Å; A270-Q274 WeakPolarHBondContact O-CB 3.41Å; A270-Q274 PolarHBondContact O-N 2.86Å
271V95.5Very high90.9Very high84 Ų84104.2 Ų104.251%0.50952%0.524SS..Hα-helixtrans-66.9-45.2176.2172.20000111V267 L268 T269 D273 Q274 V275V267-V271 HydrophobicContact CG1-CG2 4.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.3Å; V267-V271 PolarHBondContact O-N 2.89Å; L268-V271 PolarHBondContact O-N 2.83Å; T269-V271 PolarHBondContact O-N 2.78Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 3.26Å; V271-Q274 WeakPolarHBondContact O-CB 3.24Å; V271-Q274 PolarHBondContact O-N 3.04Å; V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å
272V94.7Very high91.7Very high68 Ų68101.6 Ų101.641%0.41251%0.514SS..Hα-helixtrans-61.7-43.2177.1169.40000111.1L268 T269 Q274 V275 R276L268-V272 HydrophobicContact CD2-CG2 3.85Å; L268-V272 WeakPolarHBondContact O-CG2 3.19Å; L268-V272 PolarHBondContact O-N 3.14Å; T269-V272 PolarHBondContact O-N 3.41Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 3.46Å; V272-V275 PolarHBondContact O-N 3.27Å; V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 3.44Å
273D94.1Very high92.6Very high60 Ų60100.5 Ų100.532%0.32151%0.511SS..Hα-helixtrans-67.4-32.6176.1-78.6-20.3000112.4T269 V271 R276 R277T269-D273 WeakPolarHBondContact O-CB 3.47Å; T269-D273 PolarHBondContact O-N 2.62Å; V271-D273 VanDerWaalsContact C-N 3.34Å; V271-D273 PolarHBondContact O-N 3.26Å; D273-R276 IonicContact OD1-NH1 2.85Å; D273-R277 WeakPolarHBondContact O-CB 3.41Å; D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.14Å; D273-R277 PolarHBondContact O-N 2.89Å; D273-R277 PolarHBondContact O-NE 3.45Å
274Q94.1Very high93.2Very high104 Ų104102.5 Ų102.549%0.48651%0.514SS..Hα-helixtrans-67.7-46.6173.7-172.663.910.400111.2A270 V271 V272 R276 R277 V278A270-Q274 VanDerWaalsContact O-CB 3.32Å; A270-Q274 WeakPolarHBondContact O-CB 3.41Å; A270-Q274 PolarHBondContact O-N 2.86Å; V271-Q274 WeakPolarHBondContact O-CB 3.24Å; V271-Q274 PolarHBondContact O-N 3.04Å; V272-Q274 VanDerWaalsContact C-N 3.32Å; V272-Q274 PolarHBondContact O-N 3.46Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; Q274-R276 PolarHBondContact O-N 3.44Å; Q274-R277 PolarHBondContact O-N 3.39Å; Q274-V278 WeakPolarHBondContact O-CG2 3.27Å; Q274-V278 PolarHBondContact O-N 3.09Å
275V95.9Very high93.7Very high89 Ų8999.3 Ų99.354%0.53951%0.506SS..Hα-helixtrans-61-43.6175.7172.80000110.7V271 V272 R277 V278 Q279V271-V275 WeakPolarHBondContact O-CG2 3.36Å; V271-V275 PolarHBondContact O-N 3.22Å; V272-V275 PolarHBondContact O-N 3.27Å; V275-R277 PolarHBondContact O-N 3.47Å; V275-V278 PolarHBondContact O-N 2.99Å; V275-Q279 VanDerWaalsContact O-CB 3.28Å; V275-Q279 WeakPolarHBondContact O-CB 3.24Å; V275-Q279 PolarHBondContact O-N 3.15Å
276R95.7Very high94.1Very high149 Ų14998.9 Ų98.956%0.56250%0.501SS*.Hα-helixtrans-63.1-40.1177.2-169.6-173.5-64.3160.50.6112V272 D273 Q274 K280V272-R276 WeakPolarHBondContact O-CB 3.39Å; V272-R276 PolarHBondContact O-N 3.44Å; D273-R276 IonicContact OD1-NH1 2.85Å; Q274-R276 VanDerWaalsContact C-N 3.33Å; Q274-R276 PolarHBondContact O-N 3.44Å; R276-K280 VanDerWaalsContact O-CB 3.32Å; R276-K280 WeakPolarHBondContact O-CB 3.4Å; R276-K280 PolarHBondContact O-N 3.17Å
277R94.1Very high94.6Very high156 Ų156100.3 Ų100.359%0.58950%0.499SS*.Hα-helixtrans-62.6-50.7175.5-84.4-177.2-88.8-163.8-4.9111.6D273 Q274 V275 Q279 K280 E281D273-R277 WeakPolarHBondContact O-CB 3.41Å; D273-R277 VanDerWaalsContact O-CG 3.32Å; D273-R277 WeakPolarHBondContact O-CG 3.14Å; D273-R277 PolarHBondContact O-N 2.89Å; D273-R277 PolarHBondContact O-NE 3.45Å; Q274-R277 PolarHBondContact O-N 3.39Å; V275-R277 PolarHBondContact O-N 3.47Å; R277-Q279 PolarHBondContact O-N 2.97Å; R277-K280 PolarHBondContact O-N 2.99Å; R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.24Å
278V96.1Very high94.7Very high75 Ų75101.2 Ų101.246%0.45550%0.501SS..Hα-helixtrans-62.5-42.7178.5174.80000111.1Q274 V275 K280 E281 L282Q274-V278 WeakPolarHBondContact O-CG2 3.27Å; Q274-V278 PolarHBondContact O-N 3.09Å; V275-V278 PolarHBondContact O-N 2.99Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 2.99Å; V278-E281 PolarHBondContact O-N 3.14Å; V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 PolarHBondContact O-N 3.01Å
279Q95.4Very high94.9Very high115 Ų11599.4 Ų99.454%0.53749%0.492SS..Hα-helixtrans-59.5-44.5175.8-176.9-175.36.200111.5V275 R277 L282 I283V275-Q279 VanDerWaalsContact O-CB 3.28Å; V275-Q279 WeakPolarHBondContact O-CB 3.24Å; V275-Q279 PolarHBondContact O-N 3.15Å; R277-Q279 PolarHBondContact O-N 2.97Å; Q279-L282 PolarHBondContact O-N 3Å; Q279-I283 HydrophobicContact CG-CD1 3.98Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.15Å
280K95.4Very high95.1Very high120 Ų120101.6 Ų101.652%0.52250%0.5SS..Hα-helixtrans-67.3-43-179.5-166-178.5-168.9-169.70111.8R276 R277 V278 L282 I283 Y284R276-K280 VanDerWaalsContact O-CB 3.32Å; R276-K280 WeakPolarHBondContact O-CB 3.4Å; R276-K280 PolarHBondContact O-N 3.17Å; R277-K280 PolarHBondContact O-N 2.99Å; V278-K280 VanDerWaalsContact C-N 3.33Å; V278-K280 PolarHBondContact O-N 2.99Å; K280-L282 VanDerWaalsContact C-N 3.34Å; K280-I283 PolarHBondContact O-N 3.41Å; K280-Y284 HydrophobicContact CD-CE2 3.89Å; K280-Y284 VanDerWaalsContact CE-OH 3.22Å; K280-Y284 WeakPolarHBondContact CE-OH 3.34Å; K280-Y284 HydrophobicContact CG-CD2 3.94Å; K280-Y284 HydrophobicContact CG-CE2 3.46Å; K280-Y284 VanDerWaalsContact CG-CE2 3.46Å; K280-Y284 WeakPolarHBondContact O-CD2 3.45Å; K280-Y284 PolarHBondContact O-N 3.4Å
281E94.7Very high95.3Very high134 Ų134104 Ų10463%0.62651%0.505SS*.Hα-helixtrans-59.6-45.4174.1-175.9172.4-169.700111.3R277 V278 I283 Y284 Q285R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.24Å; V278-E281 PolarHBondContact O-N 3.14Å; E281-I283 PolarHBondContact O-N 2.91Å; E281-Y284 PolarHBondContact O-N 3.26Å; E281-Q285 WeakPolarHBondContact O-CB 3.33Å; E281-Q285 PolarHBondContact O-N 2.83Å
282L95.6Very high95.2Very high87 Ų87102.2 Ų102.246%0.45550%0.499SS..Hα-helixtrans-63.1-43178.6-161.969.3000111.9V278 Q279 K280 Q285 H286V278-L282 VanDerWaalsContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 PolarHBondContact O-N 3.01Å; Q279-L282 PolarHBondContact O-N 3Å; K280-L282 VanDerWaalsContact C-N 3.34Å; L282-Q285 PolarHBondContact O-N 2.92Å; L282-H286 VanDerWaalsContact CD1-CE1 3.45Å; L282-H286 WeakPolarHBondContact CD1-CE1 3.19Å; L282-H286 PolarHBondContact O-N 3.3Å; L282-H286 PolarHBondContact O-ND1 3.06Å
283I96.1Very high95.3Very high96 Ų96104 Ų10449%0.49251%0.505SS..Hα-helixtrans-61-46.5176.6-71.8166.1000110.8Q279 K280 E281 H286 Q287Q279-I283 HydrophobicContact CG-CD1 3.98Å; Q279-I283 VanDerWaalsContact O-CG1 3.26Å; Q279-I283 WeakPolarHBondContact O-CG1 3.26Å; Q279-I283 PolarHBondContact O-N 3.15Å; K280-I283 PolarHBondContact O-N 3.41Å; E281-I283 PolarHBondContact O-N 2.91Å; I283-H286 PolarHBondContact O-N 2.86Å; I283-Q287 WeakPolarHBondContact O-CB 3.25Å; I283-Q287 PolarHBondContact O-N 3.03Å
284Y94.3Very high95.3Very high130 Ų130109.5 Ų109.551%0.5152%0.521SS..Hα-helixtrans-65.9-39.7178.8-72.2-52.5000112.4K280 E281 Q287 D288K280-Y284 HydrophobicContact CD-CE2 3.89Å; K280-Y284 VanDerWaalsContact CE-OH 3.22Å; K280-Y284 WeakPolarHBondContact CE-OH 3.34Å; K280-Y284 HydrophobicContact CG-CD2 3.94Å; K280-Y284 HydrophobicContact CG-CE2 3.46Å; K280-Y284 VanDerWaalsContact CG-CE2 3.46Å; K280-Y284 WeakPolarHBondContact O-CD2 3.45Å; K280-Y284 PolarHBondContact O-N 3.4Å; E281-Y284 PolarHBondContact O-N 3.26Å; Y284-Q287 PolarHBondContact O-N 2.63Å; Y284-D288 PolarHBondContact O-N 2.91Å
285Q95.3Very high95.4Very high105 Ų105109.6 Ų109.649%0.49152%0.522SS..Hα-helixtrans-61.5-48.7175.9-174.3179.8400111.4E281 L282 Q287 D288 D289E281-Q285 WeakPolarHBondContact O-CB 3.33Å; E281-Q285 PolarHBondContact O-N 2.83Å; L282-Q285 PolarHBondContact O-N 2.92Å; Q285-Q287 VanDerWaalsContact C-N 3.29Å; Q285-Q287 PolarHBondContact O-N 3.09Å; Q285-D288 PolarHBondContact O-N 2.58Å; Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.95Å
286H96.1Very high95.4Very high105 Ų105109.2 Ų109.249%0.48652%0.52SS..Hα-helixtrans-65.2-33.9178.3-74.374.8000112.1L282 I283 L290L282-H286 VanDerWaalsContact CD1-CE1 3.45Å; L282-H286 WeakPolarHBondContact CD1-CE1 3.19Å; L282-H286 PolarHBondContact O-N 3.3Å; L282-H286 PolarHBondContact O-ND1 3.06Å; I283-H286 PolarHBondContact O-N 2.86Å; H286-L290 WeakPolarHBondContact O-CB 3.4Å; H286-L290 VanDerWaalsContact O-CG 3.26Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å; H286-L290 PolarHBondContact O-N 2.8Å
287Q95.6Very high95.3Very high109 Ų109107.1 Ų107.151%0.50952%0.517SS..Hα-helixtrans-66-42.7175.5-172.3174.79.900111.5I283 Y284 Q285 L291I283-Q287 WeakPolarHBondContact O-CB 3.25Å; I283-Q287 PolarHBondContact O-N 3.03Å; Y284-Q287 PolarHBondContact O-N 2.63Å; Q285-Q287 VanDerWaalsContact C-N 3.29Å; Q285-Q287 PolarHBondContact O-N 3.09Å; Q287-L291 WeakPolarHBondContact O-CG 3.33Å; Q287-L291 PolarHBondContact O-N 2.99Å; Q287-L291 VanDerWaalsContact O-N 3.14Å
288D94.4Very high95.4Very high105 Ų105103.4 Ų103.456%0.56151%0.511SS*.Hα-helixtrans-65.9-44.1176.1-162.844.3000111.4Y284 Q285 L290 L291 A292Y284-D288 PolarHBondContact O-N 2.91Å; Q285-D288 PolarHBondContact O-N 2.58Å; D288-L290 PolarHBondContact O-N 2.97Å; D288-L291 PolarHBondContact O-N 3.47Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.96Å
289D95.8Very high95.2Very high69 Ų69100 Ų10037%0.36949%0.491SS..Hα-helixtrans-61.6-42.3176.8-74.2-20.1000111.9Q285 L291 A292 I293Q285-D289 WeakPolarHBondContact O-CB 3.49Å; Q285-D289 PolarHBondContact O-N 2.95Å; D289-L291 PolarHBondContact O-N 3.42Å; D289-A292 PolarHBondContact O-N 3.41Å; D289-I293 WeakPolarHBondContact O-CB 3.47Å; D289-I293 VanDerWaalsContact O-CG1 3.25Å; D289-I293 WeakPolarHBondContact O-CG1 3.44Å; D289-I293 PolarHBondContact O-N 3.16Å
290L96.4Very high95.3Very high120 Ų120100.5 Ų100.563%0.62850%0.497SS*.Hα-helixtrans-63.5-39175.9-78.6175.2000112.4H286 D288 R294H286-L290 WeakPolarHBondContact O-CB 3.4Å; H286-L290 VanDerWaalsContact O-CG 3.26Å; H286-L290 WeakPolarHBondContact O-CG 3.26Å; H286-L290 PolarHBondContact O-N 2.8Å; D288-L290 PolarHBondContact O-N 2.97Å; L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.43Å; L290-R294 PolarHBondContact O-N 3.49Å
291L95.6Very high95.3Very high104 Ų104101.6 Ų101.655%0.54550%0.502SS..Hα-helixtrans-66.2-43.6175.4-71.3176.2000111.1Q287 D288 D289 I293 R294 Q295Q287-L291 WeakPolarHBondContact O-CG 3.33Å; Q287-L291 PolarHBondContact O-N 2.99Å; Q287-L291 VanDerWaalsContact O-N 3.14Å; D288-L291 PolarHBondContact O-N 3.47Å; D289-L291 PolarHBondContact O-N 3.42Å; L291-I293 PolarHBondContact O-N 3.19Å; L291-R294 PolarHBondContact O-N 2.98Å; L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.65Å
292A94.8Very high95.2Very high46 Ų4697.5 Ų97.538%0.3849%0.488SS..Hα-helixtrans-62-43.1176.700000112.2D288 D289 Q295 T296D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.96Å; D289-A292 PolarHBondContact O-N 3.41Å; A292-Q295 PolarHBondContact O-N 3.25Å; A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.16Å; A292-T296 PolarHBondContact O-OG1 2.88Å
293I95.7Very high95.3Very high107 Ų10794.3 Ų94.355%0.54948%0.476SS..Hα-helixtrans-65.3-43.9176-68.4165.8000110.6D289 L291 Q295 T296 Q297D289-I293 WeakPolarHBondContact O-CB 3.47Å; D289-I293 VanDerWaalsContact O-CG1 3.25Å; D289-I293 WeakPolarHBondContact O-CG1 3.44Å; D289-I293 PolarHBondContact O-N 3.16Å; L291-I293 PolarHBondContact O-N 3.19Å; I293-Q295 PolarHBondContact O-N 3.41Å; I293-T296 WeakPolarHBondContact O-CB 3Å; I293-T296 PolarHBondContact O-N 3.01Å; I293-Q297 WeakPolarHBondContact O-CB 3.49Å; I293-Q297 PolarHBondContact O-N 2.93Å
294R95.3Very high95.3Very high174 Ų17491.6 Ų91.666%0.65747%0.472SS*.Hα-helixtrans-63.3-41.6178.4-171.8175.7-174148.41.5111.7L290 L291 T296 Q297 T298L290-R294 VanDerWaalsContact O-CB 3.28Å; L290-R294 WeakPolarHBondContact O-CB 3.43Å; L290-R294 PolarHBondContact O-N 3.49Å; L291-R294 PolarHBondContact O-N 2.98Å; R294-T296 VanDerWaalsContact C-N 3.34Å; R294-Q297 PolarHBondContact O-N 3.03Å; R294-T298 WeakPolarHBondContact O-CG2 3.31Å; R294-T298 PolarHBondContact O-N 3.36Å; R294-T298 PolarHBondContact O-OG1 2.87Å
295Q94.6Very high95.3Very high106 Ų10693.8 Ų93.850%0.49548%0.479SS..Hα-helixtrans-60.1-47.2173.5-174.2174.517.700110.4F221 L291 A292 I293 Q297 T298 G299F221-Q295 HydrophobicContact CE1-CG 3.91Å; F221-Q295 HydrophobicContact CE2-CG 4.1Å; F221-Q295 HydrophobicContact CZ-CG 3.55Å; F221-Q295 WeakPolarHBondContact CZ-O 3.22Å; L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.65Å; A292-Q295 PolarHBondContact O-N 3.25Å; I293-Q295 PolarHBondContact O-N 3.41Å; Q295-Q297 PolarHBondContact O-N 3Å; Q295-T298 PolarHBondContact O-N 3.23Å; Q295-T298 PolarHBondContact O-OG1 2.9Å; Q295-G299 PolarHBondContact O-N 3.25Å
296T95.6Very high95.4Very high81 Ų8194.8 Ų94.850%0.49748%0.482SS..Hα-helixtrans-59.4-44.3176.9-55.90000111.8A292 I293 R294 T298 G299 L300A292-T296 WeakPolarHBondContact O-CB 3.31Å; A292-T296 PolarHBondContact O-N 3.16Å; A292-T296 PolarHBondContact O-OG1 2.88Å; I293-T296 WeakPolarHBondContact O-CB 3Å; I293-T296 PolarHBondContact O-N 3.01Å; R294-T296 VanDerWaalsContact C-N 3.34Å; T296-T298 PolarHBondContact O-N 3.41Å; T296-G299 PolarHBondContact O-N 3.45Å; T296-L300 HydrophobicContact CG2-CD1 4.1Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.36Å; T296-L300 PolarHBondContact O-N 3.47Å
297Q94.7Very high95.4Very high106 Ų10692.6 Ų92.650%0.49547%0.473SS..Hα-helixtrans-57.8-51.1176-178.9-177.6-0.500111.1I293 R294 Q295 G299 L300 F301I293-Q297 WeakPolarHBondContact O-CB 3.49Å; I293-Q297 PolarHBondContact O-N 2.93Å; R294-Q297 PolarHBondContact O-N 3.03Å; Q295-Q297 PolarHBondContact O-N 3Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.94Å; Q297-L300 PolarHBondContact O-N 3.49Å; Q297-F301 HydrophobicContact CG-CD2 3.77Å; Q297-F301 HydrophobicContact CG-CE2 3.7Å; Q297-F301 VanDerWaalsContact O-CD2 3.27Å; Q297-F301 WeakPolarHBondContact O-CD2 3.45Å; Q297-F301 PolarHBondContact O-N 2.85Å
298T95.4Very high95.4Very high78 Ų7892.5 Ų92.548%0.47947%0.473SS..Hα-helixtrans-62-38.5178600000112.4R294 Q295 T296 F301 S302R294-T298 WeakPolarHBondContact O-CG2 3.31Å; R294-T298 PolarHBondContact O-N 3.36Å; R294-T298 PolarHBondContact O-OG1 2.87Å; Q295-T298 PolarHBondContact O-N 3.23Å; Q295-T298 PolarHBondContact O-OG1 2.9Å; T296-T298 PolarHBondContact O-N 3.41Å; T298-F301 PolarHBondContact O-N 3.12Å; T298-S302 WeakPolarHBondContact O-CB 3.44Å; T298-S302 PolarHBondContact O-N 2.99Å
299G93.5Very high95.5Very high3 Ų392.4 Ų92.43%0.03147%0.469CS..Hα-helixtrans-59.8-48173.900000112Q295 T296 Q297 S302 G303Q295-G299 PolarHBondContact O-N 3.25Å; T296-G299 PolarHBondContact O-N 3.45Å; Q297-G299 VanDerWaalsContact C-N 3.3Å; Q297-G299 PolarHBondContact O-N 2.94Å; G299-S302 PolarHBondContact O-N 2.72Å; G299-S302 PolarHBondContact O-OG 2.89Å; G299-G303 PolarHBondContact O-N 2.81Å
300L95.6Very high95.5Very high125 Ų12590.9 Ų90.965%0.65446%0.46SS*.Hα-helixtrans-64.9-41.7178-70.2172.2000112.5T296 Q297 G303 G304T296-L300 HydrophobicContact CG2-CD1 4.1Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.36Å; T296-L300 PolarHBondContact O-N 3.47Å; Q297-L300 PolarHBondContact O-N 3.49Å; L300-G303 PolarHBondContact O-N 2.82Å; L300-G304 PolarHBondContact O-N 2.51Å
301F95.8Very high95.6Very high144 Ų14489.3 Ų89.363%0.63245%0.451SS*.Hα-helixtrans-63.1-42.6174.4-87.6-76.2000112Q297 T298 G303 G304 R305Q297-F301 HydrophobicContact CG-CD2 3.77Å; Q297-F301 HydrophobicContact CG-CE2 3.7Å; Q297-F301 VanDerWaalsContact O-CD2 3.27Å; Q297-F301 WeakPolarHBondContact O-CD2 3.45Å; Q297-F301 PolarHBondContact O-N 2.85Å; T298-F301 PolarHBondContact O-N 3.12Å; F301-G303 VanDerWaalsContact C-N 3.32Å; F301-G303 PolarHBondContact O-N 3.04Å; F301-G304 PolarHBondContact O-N 3.49Å; F301-R305 PolarHBondContact O-N 2.96Å
302S94.1Very high95.6Very high47 Ų4788.9 Ų88.933%0.32945%0.45SS..Hα-helixtrans-64.2-38.7175.779.40000112T298 G299 K306T298-S302 WeakPolarHBondContact O-CB 3.44Å; T298-S302 PolarHBondContact O-N 2.99Å; G299-S302 PolarHBondContact O-N 2.72Å; G299-S302 PolarHBondContact O-OG 2.89Å; S302-K306 WeakPolarHBondContact O-CG 3.48Å; S302-K306 PolarHBondContact O-N 3.12Å; S302-K306 VanDerWaalsContact O-N 3.15Å
303G95.8Very high95.7Very high21 Ų2191.9 Ų91.922%0.21645%0.454CS..Hα-helixtrans-59.2-58172.100000110.3G299 L300 F301 R305 K306 I307G299-G303 PolarHBondContact O-N 2.81Å; L300-G303 PolarHBondContact O-N 2.82Å; F301-G303 VanDerWaalsContact C-N 3.32Å; F301-G303 PolarHBondContact O-N 3.04Å; G303-R305 PolarHBondContact O-N 2.83Å; G303-K306 WeakPolarHBondContact O-CB 3.42Å; G303-K306 PolarHBondContact O-N 3.2Å; G303-I307 WeakPolarHBondContact O-CG1 3.41Å; G303-I307 PolarHBondContact O-N 3.03Å
304G96.3Very high95.7Very high38 Ų3892.6 Ų92.639%0.39246%0.456SS..Hα-helixtrans-52.7-40178.900000113.6L300 F301 I307 Q308L300-G304 PolarHBondContact O-N 2.51Å; F301-G304 PolarHBondContact O-N 3.49Å; G304-I307 PolarHBondContact O-N 2.97Å; G304-Q308 PolarHBondContact O-N 3.36Å
305R95.6Very high95.8Very high176 Ų17688.7 Ų88.766%0.66445%0.446SS*.Hα-helixtrans-63.7-46.5175-118.5-174.966.7178.10.1113.1F301 G303 I307 Q308 E309F301-R305 PolarHBondContact O-N 2.96Å; G303-R305 PolarHBondContact O-N 2.83Å; R305-I307 VanDerWaalsContact C-N 3.28Å; R305-I307 PolarHBondContact O-N 3.08Å; R305-Q308 PolarHBondContact O-N 3.32Å; R305-E309 IonicContact CZ-OE1 3.49Å; R305-E309 IonicContact NE-OE1 2.65Å; R305-E309 PolarHBondContact NE-OE1 3.45Å; R305-E309 IonicContact NH2-OE1 2.72Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.5Å
306K96.3Very high95.9Very high127 Ų12790.4 Ų90.455%0.55245%0.454SS*.Hα-helixtrans-61.7-38.6177-71.4174.8-179.8-1770112S302 G303 E309 M310S302-K306 WeakPolarHBondContact O-CG 3.48Å; S302-K306 PolarHBondContact O-N 3.12Å; S302-K306 VanDerWaalsContact O-N 3.15Å; G303-K306 WeakPolarHBondContact O-CB 3.42Å; G303-K306 PolarHBondContact O-N 3.2Å; K306-E309 PolarHBondContact O-N 2.88Å; K306-M310 WeakPolarHBondContact O-CB 3.43Å; K306-M310 PolarHBondContact O-N 3.47Å
307I96.8Very high95.9Very high59 Ų5990.5 Ų90.530%0.30345%0.449SS..Hα-helixtrans-62.1-46.9176.4-63.4176.8000109.9F217 G303 G304 R305 M310 I311F217-I307 HydrophobicContact CD1-CD1 3.75Å; F217-I307 HydrophobicContact CD1-CG1 3.79Å; F217-I307 HydrophobicContact CE1-CB 3.79Å; F217-I307 HydrophobicContact CE1-CD1 3.23Å; F217-I307 HydrophobicContact CE1-CG1 3.06Å; F217-I307 HydrophobicContact CE1-CG2 3.62Å; F217-I307 HydrophobicContact CE2-CG1 4.26Å; F217-I307 HydrophobicContact CZ-CB 3.66Å; F217-I307 HydrophobicContact CZ-CD1 4.04Å; F217-I307 HydrophobicContact CZ-CG1 3.34Å; F217-I307 HydrophobicContact CZ-CG2 3.46Å; F217-I307 VanDerWaalsContact CZ-CG2 3.46Å; G303-I307 WeakPolarHBondContact O-CG1 3.41Å; G303-I307 PolarHBondContact O-N 3.03Å; G304-I307 PolarHBondContact O-N 2.97Å; R305-I307 VanDerWaalsContact C-N 3.28Å; R305-I307 PolarHBondContact O-N 3.08Å; I307-M310 PolarHBondContact O-N 3.43Å; I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.36Å
308Q96.2Very high96Very high106 Ų10691.3 Ų91.350%0.49545%0.45SS..Hα-helixtrans-63.4-43.6177.8-167.664.338.600112.4G304 R305 M310 I311 N312G304-Q308 PolarHBondContact O-N 3.36Å; R305-Q308 PolarHBondContact O-N 3.32Å; Q308-M310 VanDerWaalsContact C-N 3.28Å; Q308-M310 PolarHBondContact O-N 2.91Å; Q308-I311 PolarHBondContact O-N 3.05Å; Q308-N312 PolarHBondContact NE2-OD1 3.16Å; Q308-N312 VanDerWaalsContact O-CG 3.25Å; Q308-N312 PolarHBondContact O-N 3.39Å
309E96.2Very high96Very high103 Ų10391.5 Ų91.548%0.48145%0.448SS..Hα-helixtrans-58.7-41.5175.2-73.1167.2-163.800111.1R305 K306 N312 K313R305-E309 IonicContact CZ-OE1 3.49Å; R305-E309 IonicContact NE-OE1 2.65Å; R305-E309 PolarHBondContact NE-OE1 3.45Å; R305-E309 IonicContact NH2-OE1 2.72Å; R305-E309 PolarHBondContact NH2-OE1 2.92Å; R305-E309 WeakPolarHBondContact O-CG 3.45Å; R305-E309 PolarHBondContact O-N 3.5Å; K306-E309 PolarHBondContact O-N 2.88Å; E309-N312 PolarHBondContact O-N 2.94Å; E309-K313 PolarHBondContact O-N 3.24Å
310M95.7Very high96.2Very high37 Ų3798.1 Ų98.118%0.18247%0.473CS..Hα-helixtrans-71.7-38.7178.5-165.8-178.3-32.900113.5P215 F217 K306 I307 Q308 N312 K313 M314P215-M310 HydrophobicContact CB-CE 3.31Å; P215-M310 HydrophobicContact CB-SD 3.53Å; P215-M310 VanDerWaalsContact CB-SD 3.53Å; P215-M310 HydrophobicContact CG-CE 3.74Å; P215-M310 HydrophobicContact CG-CG 4.08Å; P215-M310 HydrophobicContact CG-SD 3.41Å; P215-M310 WeakPolarHBondContact CG-SD 3.48Å; F217-M310 HydrophobicContact CD2-CE 3.61Å; F217-M310 HydrophobicContact CD2-SD 3.92Å; F217-M310 HydrophobicContact CE2-CE 3.26Å; F217-M310 HydrophobicContact CE2-SD 3.43Å; F217-M310 WeakPolarHBondContact CE2-SD 3.38Å; F217-M310 HydrophobicContact CZ-CE 4.31Å; K306-M310 WeakPolarHBondContact O-CB 3.43Å; K306-M310 PolarHBondContact O-N 3.47Å; I307-M310 PolarHBondContact O-N 3.43Å; Q308-M310 VanDerWaalsContact C-N 3.28Å; Q308-M310 PolarHBondContact O-N 2.91Å; M310-N312 VanDerWaalsContact C-N 3.32Å; M310-K313 PolarHBondContact O-N 3.47Å; M310-M314 WeakPolarHBondContact O-CB 3.34Å; M310-M314 PolarHBondContact O-N 3.33Å
311I97.2Very high96.2Very high87 Ų8796.1 Ų96.145%0.44647%0.465SS..Hα-helixtrans-60-45.6173.2-71.7166.4000109.8I307 Q308 K313 M314 Q315I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 WeakPolarHBondContact O-CG1 3.39Å; I307-I311 PolarHBondContact O-N 3.36Å; Q308-I311 PolarHBondContact O-N 3.05Å; I311-K313 PolarHBondContact O-N 2.83Å; I311-M314 PolarHBondContact O-N 2.96Å; I311-Q315 WeakPolarHBondContact O-CB 3.44Å; I311-Q315 PolarHBondContact O-N 2.85Å
312N96.6Very high96.2Very high96 Ų9691.6 Ų91.651%0.51345%0.451SS..Hα-helixtrans-62-43.2177.6-69-10.6000111.7Q308 E309 M310 Q315 Q316Q308-N312 PolarHBondContact NE2-OD1 3.16Å; Q308-N312 VanDerWaalsContact O-CG 3.25Å; Q308-N312 PolarHBondContact O-N 3.39Å; E309-N312 PolarHBondContact O-N 2.94Å; M310-N312 VanDerWaalsContact C-N 3.32Å; N312-Q315 PolarHBondContact O-N 3.19Å; N312-Q316 PolarHBondContact O-N 3.03Å
313K97.2Very high96.2Very high109 Ų10993.4 Ų93.447%0.47446%0.46SS..Hα-helixtrans-62.9-44.7176.5-172.6-178.1176.8-172.40112E309 M310 I311 Q315 Q316 E317E309-K313 PolarHBondContact O-N 3.24Å; M310-K313 PolarHBondContact O-N 3.47Å; I311-K313 PolarHBondContact O-N 2.83Å; K313-Q315 VanDerWaalsContact C-N 3.31Å; K313-Q315 PolarHBondContact O-N 3.5Å; K313-Q316 WeakPolarHBondContact O-CB 3.5Å; K313-Q316 PolarHBondContact O-N 2.93Å; K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 PolarHBondContact O-N 2.98Å
314M96.1Very high96.2Very high121 Ų12197 Ų9760%0.59647%0.471SS*.Hα-helixtrans-64.8-36.7179-169.4-178.3-60.200111.7M310 I311 E317 K318M310-M314 WeakPolarHBondContact O-CB 3.34Å; M310-M314 PolarHBondContact O-N 3.33Å; I311-M314 PolarHBondContact O-N 2.96Å; M314-E317 PolarHBondContact O-N 3.48Å; M314-K318 WeakPolarHBondContact O-CB 3.49Å; M314-K318 PolarHBondContact O-N 3.2Å
315Q96Very high96.1Very high92 Ų92100.2 Ų100.243%0.4348%0.478SS..Hα-helixtrans-64.8-42.7174.1-17361.731.200111.4I311 N312 K313 K318 D319I311-Q315 WeakPolarHBondContact O-CB 3.44Å; I311-Q315 PolarHBondContact O-N 2.85Å; N312-Q315 PolarHBondContact O-N 3.19Å; K313-Q315 VanDerWaalsContact C-N 3.31Å; K313-Q315 PolarHBondContact O-N 3.5Å; Q315-K318 WeakPolarHBondContact O-CB 3.48Å; Q315-K318 PolarHBondContact O-N 3.39Å; Q315-D319 PolarHBondContact NE2-OD1 2.99Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.28Å
316Q96.6Very high96.2Very high142 Ų14297.1 Ų97.166%0.66447%0.47SS*.Hα-helixtrans-62.6-43.1174.6-174.6-177.721.300112.4N312 K313 D319 R320N312-Q316 PolarHBondContact O-N 3.03Å; K313-Q316 WeakPolarHBondContact O-CB 3.5Å; K313-Q316 PolarHBondContact O-N 2.93Å; Q316-D319 PolarHBondContact O-N 2.97Å; Q316-R320 WeakPolarHBondContact O-CB 3.45Å; Q316-R320 PolarHBondContact O-N 2.99Å
317E95.8Very high96.1Very high84 Ų8493 Ų9339%0.39346%0.458SS..Hα-helixtrans-64.4-40.2176.5-75.2179.8165.500111.6K313 M314 R320 V321K313-E317 WeakPolarHBondContact CE-OE1 3.42Å; K313-E317 PolarHBondContact O-N 2.98Å; M314-E317 PolarHBondContact O-N 3.48Å; E317-R320 PolarHBondContact O-N 3.35Å; E317-V321 WeakPolarHBondContact O-CG2 3.42Å; E317-V321 PolarHBondContact O-N 2.82Å
318K96.6Very high96Very high123 Ų12394 Ų9454%0.53547%0.466SS..Hα-helixtrans-58-51173.1176.7-172.4171.2177.90111.2M314 Q315 R320 V321 C322M314-K318 WeakPolarHBondContact O-CB 3.49Å; M314-K318 PolarHBondContact O-N 3.2Å; Q315-K318 WeakPolarHBondContact O-CB 3.48Å; Q315-K318 PolarHBondContact O-N 3.39Å; K318-R320 VanDerWaalsContact C-N 3.31Å; K318-R320 PolarHBondContact O-N 3.31Å; K318-V321 PolarHBondContact O-N 2.71Å; K318-C322 PolarHBondContact O-N 3.36Å; K318-C322 PolarHBondContact O-SG 3.33Å; K318-C322 VanDerWaalsContact O-SG 3.39Å
319D96.4Very high96Very high81 Ų8194.4 Ų94.443%0.43347%0.468SS..Hα-helixtrans-62.7-40.2-178.1-64.5-22.1000110.8Q315 Q316 C322 T323Q315-D319 PolarHBondContact NE2-OD1 2.99Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.28Å; Q316-D319 PolarHBondContact O-N 2.97Å; D319-C322 PolarHBondContact O-N 3.39Å; D319-T323 WeakPolarHBondContact O-CG2 3.49Å; D319-T323 PolarHBondContact O-N 2.94Å; D319-T323 PolarHBondContact O-OG1 2.98Å
320R96.8Very high96Very high143 Ų14396.3 Ų96.354%0.5447%0.471SS..Hα-helixtrans-59-51.4174-170.9-173.5117.5-151.6-3.7111.8Q316 E317 K318 C322 T323 E324Q316-R320 WeakPolarHBondContact O-CB 3.45Å; Q316-R320 PolarHBondContact O-N 2.99Å; E317-R320 PolarHBondContact O-N 3.35Å; K318-R320 VanDerWaalsContact C-N 3.31Å; K318-R320 PolarHBondContact O-N 3.31Å; R320-C322 VanDerWaalsContact C-N 3.31Å; R320-C322 PolarHBondContact O-N 3.04Å; R320-T323 PolarHBondContact O-N 3.5Å; R320-T323 PolarHBondContact O-OG1 3.17Å; R320-E324 WeakPolarHBondContact CG-OE1 3.32Å; R320-E324 IonicContact CZ-OE1 2.8Å; R320-E324 IonicContact NE-OE1 3.04Å; R320-E324 PolarHBondContact NE-OE1 3.37Å; R320-E324 IonicContact NH2-OE1 3Å; R320-E324 PolarHBondContact O-N 2.74Å
321V95.5Very high96Very high82 Ų82100.7 Ų100.750%0.49749%0.489SS..Hα-helixtrans-62.2-39-179.91720000111.2E317 K318 T323 E324 M325E317-V321 WeakPolarHBondContact O-CG2 3.42Å; E317-V321 PolarHBondContact O-N 2.82Å; K318-V321 PolarHBondContact O-N 2.71Å; V321-T323 PolarHBondContact O-N 3.5Å; V321-E324 PolarHBondContact O-N 3.4Å; V321-M325 VanDerWaalsContact O-CB 3.32Å; V321-M325 WeakPolarHBondContact O-CB 3.35Å; V321-M325 PolarHBondContact O-N 2.88Å
322C95.9Very high95.9Very high50 Ų50100.5 Ų100.534%0.33849%0.488SS..Hα-helixtrans-59.9-45.6174-73.10000111.9K318 D319 R320 E324 M325 E326K318-C322 PolarHBondContact O-N 3.36Å; K318-C322 PolarHBondContact O-SG 3.33Å; K318-C322 VanDerWaalsContact O-SG 3.39Å; D319-C322 PolarHBondContact O-N 3.39Å; R320-C322 VanDerWaalsContact C-N 3.31Å; R320-C322 PolarHBondContact O-N 3.04Å; C322-E324 PolarHBondContact O-N 3.41Å; C322-M325 PolarHBondContact O-N 3.33Å; C322-E326 WeakPolarHBondContact O-CG 3.44Å; C322-E326 PolarHBondContact O-N 3.22Å
323T95.7Very high95.9Very high85 Ų85102.5 Ų102.552%0.52149%0.492SS..Hα-helixtrans-65.4-38.2177.460.30000113.3D319 R320 V321 S327D319-T323 WeakPolarHBondContact O-CG2 3.49Å; D319-T323 PolarHBondContact O-N 2.94Å; D319-T323 PolarHBondContact O-OG1 2.98Å; R320-T323 PolarHBondContact O-N 3.5Å; R320-T323 PolarHBondContact O-OG1 3.17Å; V321-T323 PolarHBondContact O-N 3.5Å; T323-S327 PolarHBondContact O-N 3.36Å
324E95.2Very high95.7Very high96 Ų96101.7 Ų101.745%0.44949%0.493SS..Hα-helixtrans-65.7-42.6175.6-72.8176-164.100110.8R320 V321 C322 S327 V328R320-E324 WeakPolarHBondContact CG-OE1 3.32Å; R320-E324 IonicContact CZ-OE1 2.8Å; R320-E324 IonicContact NE-OE1 3.04Å; R320-E324 PolarHBondContact NE-OE1 3.37Å; R320-E324 IonicContact NH2-OE1 3Å; R320-E324 PolarHBondContact O-N 2.74Å; V321-E324 PolarHBondContact O-N 3.4Å; C322-E324 PolarHBondContact O-N 3.41Å; E324-S327 WeakPolarHBondContact O-CB 3.49Å; E324-S327 PolarHBondContact O-N 3.39Å; E324-V328 WeakPolarHBondContact O-CG2 3.41Å; E324-V328 PolarHBondContact O-N 3.04Å
325M94.9Very high95.5Very high106 Ų106101.6 Ų101.652%0.52249%0.494SS..Hα-helixtrans-61.6-47.7177.2-168.6171.18300111.6V321 C322 S327 V328 E329V321-M325 VanDerWaalsContact O-CB 3.32Å; V321-M325 WeakPolarHBondContact O-CB 3.35Å; V321-M325 PolarHBondContact O-N 2.88Å; C322-M325 PolarHBondContact O-N 3.33Å; M325-S327 VanDerWaalsContact C-N 3.28Å; M325-S327 PolarHBondContact O-N 3.49Å; M325-V328 PolarHBondContact O-N 3.43Å; M325-V328 VanDerWaalsContact O-N 3.14Å; M325-E329 WeakPolarHBondContact O-CG 3.35Å; M325-E329 PolarHBondContact O-N 2.98Å
326E95.9Very high95.4Very high110 Ų110103.2 Ų103.251%0.51450%0.502SS..Hα-helixtrans-59.7-37.7174.9-73.5178-170.900112.3C322 R330C322-E326 WeakPolarHBondContact O-CG 3.44Å; C322-E326 PolarHBondContact O-N 3.22Å; E326-R330 WeakPolarHBondContact O-CB 3.4Å; E326-R330 PolarHBondContact O-N 2.97Å
327S94.8Very high95.2Very high41 Ų4199.7 Ų99.729%0.28749%0.49SS..Hα-helixtrans-67-38.5175.8-178.80000112.4T323 E324 M325 K331T323-S327 PolarHBondContact O-N 3.36Å; E324-S327 WeakPolarHBondContact O-CB 3.49Å; E324-S327 PolarHBondContact O-N 3.39Å; M325-S327 VanDerWaalsContact C-N 3.28Å; M325-S327 PolarHBondContact O-N 3.49Å; S327-K331 WeakPolarHBondContact O-CG 3.35Å; S327-K331 PolarHBondContact O-N 3.5Å; S327-K331 VanDerWaalsContact O-N 3.11Å
328V95.3Very high94.7Very high80 Ų8099.3 Ų99.349%0.48549%0.493SS..Hα-helixtrans-70.2-45178.5170.60000110.1E324 M325 R330 K331 I332E324-V328 WeakPolarHBondContact O-CG2 3.41Å; E324-V328 PolarHBondContact O-N 3.04Å; M325-V328 PolarHBondContact O-N 3.43Å; M325-V328 VanDerWaalsContact O-N 3.14Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 3.16Å; V328-K331 PolarHBondContact O-N 3.41Å; V328-K331 VanDerWaalsContact O-N 3.16Å; V328-I332 HydrophobicContact CG1-CD1 3.82Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 3.46Å
329E96.2Very high94.1Very high114 Ų11496.5 Ų96.553%0.53349%0.49SS..Hα-helixtrans-58.6-41.8175.5-74.5-176.5173.800112M325 I332 K333M325-E329 WeakPolarHBondContact O-CG 3.35Å; M325-E329 PolarHBondContact O-N 2.98Å; E329-I332 PolarHBondContact O-N 2.95Å; E329-K333 WeakPolarHBondContact O-CB 3.28Å; E329-K333 PolarHBondContact O-N 3.46Å
330R95.8Very high93.7Very high143 Ų14396.3 Ų96.354%0.5449%0.486SS..Hα-helixtrans-60.6-47.1174.4-166.3-177.8-57.1124.76.9111.8E326 V328 I332 K333 D334E326-R330 WeakPolarHBondContact O-CB 3.4Å; E326-R330 PolarHBondContact O-N 2.97Å; V328-R330 VanDerWaalsContact C-N 3.3Å; V328-R330 PolarHBondContact O-N 3.16Å; R330-I332 PolarHBondContact O-N 3.42Å; R330-K333 PolarHBondContact O-N 2.92Å; R330-D334 VanDerWaalsContact O-CG 3.25Å; R330-D334 PolarHBondContact O-N 2.97Å
331K96.2Very high93.1Very high129 Ų12995.7 Ų95.756%0.56149%0.487SS*.Hα-helixtrans-62.5-40177.2-74.6175.1-178.3177.90112.4S327 V328 D334 L335S327-K331 WeakPolarHBondContact O-CG 3.35Å; S327-K331 PolarHBondContact O-N 3.5Å; S327-K331 VanDerWaalsContact O-N 3.11Å; V328-K331 PolarHBondContact O-N 3.41Å; V328-K331 VanDerWaalsContact O-N 3.16Å; K331-D334 PolarHBondContact O-N 3.16Å; K331-L335 WeakPolarHBondContact O-CB 3.35Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.49Å
332I94.7Very high92.2Very high84 Ų8496.5 Ų96.543%0.43149%0.488SS..Hα-helixtrans-60.6-49175.5-71.2168.7000109.5V328 E329 R330 D334 L335 E336V328-I332 HydrophobicContact CG1-CD1 3.82Å; V328-I332 HydrophobicContact CG1-CG1 4.35Å; V328-I332 WeakPolarHBondContact O-CG1 3.36Å; V328-I332 PolarHBondContact O-N 3.46Å; E329-I332 PolarHBondContact O-N 2.95Å; R330-I332 PolarHBondContact O-N 3.42Å; I332-D334 VanDerWaalsContact C-N 3.34Å; I332-D334 PolarHBondContact O-N 3.43Å; I332-L335 PolarHBondContact O-N 2.72Å; I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 WeakPolarHBondContact O-CG 3.45Å; I332-E336 PolarHBondContact O-N 3.22Å
333K95.8Very high91.4Very high138 Ų138102 Ų10260%0.650%0.502SS*.Hα-helixtrans-60.5-42.2177.9-171.1177.2-177.61760112.4E329 R330 E336 V337E329-K333 WeakPolarHBondContact O-CB 3.28Å; E329-K333 PolarHBondContact O-N 3.46Å; R330-K333 PolarHBondContact O-N 2.92Å; K333-E336 PolarHBondContact O-N 2.93Å; K333-V337 VanDerWaalsContact O-CG2 3.3Å; K333-V337 WeakPolarHBondContact O-CG2 3.43Å; K333-V337 PolarHBondContact O-N 3.25Å
334D93.6Very high90.6Very high91 Ų91105.3 Ų105.349%0.48751%0.509SS..Hα-helixtrans-64.3-40.2177-68.9-22000111.7R330 K331 I332 T338R330-D334 VanDerWaalsContact O-CG 3.25Å; R330-D334 PolarHBondContact O-N 2.97Å; K331-D334 PolarHBondContact O-N 3.16Å; I332-D334 VanDerWaalsContact C-N 3.34Å; I332-D334 PolarHBondContact O-N 3.43Å; D334-T338 WeakPolarHBondContact O-CB 3.49Å; D334-T338 PolarHBondContact O-N 3.14Å; D334-T338 PolarHBondContact O-OG1 2.99Å
335L91.8Very high89.4Confident119 Ų119104.5 Ų104.562%0.62351%0.514SS*.Hα-helixtrans-67.7-40.9175.5-75.2172.6000112.3K331 I332 T338 S339K331-L335 WeakPolarHBondContact O-CB 3.35Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.48Å; K331-L335 PolarHBondContact O-N 3.49Å; I332-L335 PolarHBondContact O-N 2.72Å; L335-T338 PolarHBondContact O-N 3.11Å; L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.86Å
336E93.1Very high87.7Confident126 Ų126106.2 Ų106.259%0.58953%0.525SS*.Hα-helixtrans-61.1-46.1174.4-75.8178168.300111.3I332 K333 T338 S339 E340I332-E336 HydrophobicContact CG2-CG 4.41Å; I332-E336 WeakPolarHBondContact O-CG 3.45Å; I332-E336 PolarHBondContact O-N 3.22Å; K333-E336 PolarHBondContact O-N 2.93Å; E336-T338 VanDerWaalsContact C-N 3.33Å; E336-T338 PolarHBondContact O-N 3.07Å; E336-S339 PolarHBondContact O-N 3.16Å; E336-E340 WeakPolarHBondContact O-CB 3.41Å; E336-E340 PolarHBondContact O-N 3.37Å
337V92.3Very high86Confident68 Ų68105.9 Ų105.941%0.41254%0.535SS..Hα-helixtrans-61.8-42175.4170.20000111.2K333 K341K333-V337 VanDerWaalsContact O-CG2 3.3Å; K333-V337 WeakPolarHBondContact O-CG2 3.43Å; K333-V337 PolarHBondContact O-N 3.25Å; V337-K341 HydrophobicContact CG1-CD 4.25Å; V337-K341 VanDerWaalsContact O-CG 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.31Å; V337-K341 PolarHBondContact O-N 3.12Å
338T86.1Confident84.4Confident76 Ų76111.5 Ų111.547%0.46656%0.562SS.*Hα-helixtrans-67.2-42.5178.9-570000111.5D334 L335 E336 K341 L342D334-T338 WeakPolarHBondContact O-CB 3.49Å; D334-T338 PolarHBondContact O-N 3.14Å; D334-T338 PolarHBondContact O-OG1 2.99Å; L335-T338 PolarHBondContact O-N 3.11Å; E336-T338 VanDerWaalsContact C-N 3.33Å; E336-T338 PolarHBondContact O-N 3.07Å; T338-K341 WeakPolarHBondContact O-CB 3.41Å; T338-K341 PolarHBondContact O-N 3.34Å; T338-L342 PolarHBondContact O-N 3.02Å
339S84.5Confident82.9Confident65 Ų65113.6 Ų113.646%0.45557%0.565SS.*Hα-helixtrans-60.5-45.5175.3-176.80000111.4L335 E336 K341 L342 R343L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.86Å; E336-S339 PolarHBondContact O-N 3.16Å; S339-K341 PolarHBondContact O-N 3.38Å; S339-L342 WeakPolarHBondContact O-CB 3.47Å; S339-L342 PolarHBondContact O-N 2.9Å; S339-L342 VanDerWaalsContact O-N 3.15Å; S339-R343 WeakPolarHBondContact O-CG 3.17Å; S339-R343 PolarHBondContact O-N 3.04Å
340E87.1Confident81.6Confident76 Ų76112.6 Ų112.636%0.35556%0.562SS.*Hα-helixtrans-67.3-34.5178.1-173.160-162.500112.6E336 R343 K344E336-E340 WeakPolarHBondContact O-CB 3.41Å; E336-E340 PolarHBondContact O-N 3.37Å; E340-R343 IonicContact OE2-CZ 3.94Å; E340-R343 IonicContact OE2-NH1 3.64Å; E340-R343 PolarHBondContact OE2-NH1 3Å; E340-K344 WeakPolarHBondContact O-CG 3.37Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.67Å
341K84.5Confident80.3Confident131 Ų131111 Ų11157%0.5756%0.563SS**Hα-helixtrans-63.9-41.7170.2-74.7171.8-178.7176.80111.6V337 T338 S339 K344 S345V337-K341 HydrophobicContact CG1-CD 4.25Å; V337-K341 VanDerWaalsContact O-CG 3.3Å; V337-K341 WeakPolarHBondContact O-CG 3.31Å; V337-K341 PolarHBondContact O-N 3.12Å; T338-K341 WeakPolarHBondContact O-CB 3.41Å; T338-K341 PolarHBondContact O-N 3.34Å; S339-K341 PolarHBondContact O-N 3.38Å; K341-K344 PolarHBondContact O-N 3.34Å; K341-S345 PolarHBondContact O-N 2.8Å; K341-S345 PolarHBondContact O-OG 3.37Å
342L76.6Confident79Confident99 Ų99111 Ų11152%0.51857%0.569SS.*Hα-helixtrans-65.9-43.5179.1-136.374.7000111.2T338 S339 K344 S345 F349T338-L342 PolarHBondContact O-N 3.02Å; S339-L342 WeakPolarHBondContact O-CB 3.47Å; S339-L342 PolarHBondContact O-N 2.9Å; S339-L342 VanDerWaalsContact O-N 3.15Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 2.85Å; L342-S345 PolarHBondContact O-N 3.39Å; L342-F349 HydrophobicContact CD1-CE2 4.41Å; L342-F349 HydrophobicContact CD2-CE2 4.23Å; L342-F349 HydrophobicContact CD2-CZ 4.46Å; L342-F349 HydrophobicContact CG-CE2 4.49Å
343R79.1Confident77.9Confident165 Ų165113.5 Ų113.562%0.62358%0.579SS**Hα-helixtrans-61.2-29.9176.1-71.8177.573.4-138.54.4113.8S339 E340S339-R343 WeakPolarHBondContact O-CG 3.17Å; S339-R343 PolarHBondContact O-N 3.04Å; E340-R343 IonicContact OE2-CZ 3.94Å; E340-R343 IonicContact OE2-NH1 3.64Å; E340-R343 PolarHBondContact OE2-NH1 3Å
344K80Confident76.5Confident155 Ų155110.7 Ų110.767%0.67457%0.573SS**Hα-helixtrans-81.1-19.9175.4-70.9174.9-175.4172.90112.9E340 K341 L342 D346E340-K344 WeakPolarHBondContact O-CG 3.37Å; E340-K344 PolarHBondContact O-N 3.25Å; E340-K344 WeakPolarHBondContact OE1-CE 3.23Å; E340-K344 IonicContact OE1-NZ 3.67Å; K341-K344 PolarHBondContact O-N 3.34Å; L342-K344 VanDerWaalsContact C-N 3.26Å; L342-K344 PolarHBondContact O-N 2.85Å; K344-D346 PolarHBondContact O-N 2.99Å; K344-D346 VanDerWaalsContact O-N 3.1Å
345S69.6Low75.3Confident79 Ų79114 Ų11455%0.55258%0.584SS**  trans-88.855.1-176.7-53.90000110.4K341 L342 S347K341-S345 PolarHBondContact O-N 2.8Å; K341-S345 PolarHBondContact O-OG 3.37Å; L342-S345 PolarHBondContact O-N 3.39Å; S345-S347 VanDerWaalsContact C-N 3.29Å; S345-S347 PolarHBondContact O-N 3.01Å; S345-S347 VanDerWaalsContact O-N 3.09Å
346D59.2Low74.4Confident142 Ų142113 Ų11376%0.75958%0.579SS**THydrogen-bonded Turntrans-86.529.4-159.4-123.84.3000114.5K344K344-D346 PolarHBondContact O-N 2.99Å; K344-D346 VanDerWaalsContact O-N 3.1Å
347S59.9Low74Confident103 Ų103108.8 Ų108.872%0.7256%0.562SS**THydrogen-bonded Turntrans-141.60.1-168.530.90000120.2S345S345-S347 VanDerWaalsContact C-N 3.29Å; S345-S347 PolarHBondContact O-N 3.01Å; S345-S347 VanDerWaalsContact O-N 3.09Å
348N61.4Low73.6Confident159 Ų159112.7 Ų112.785%0.8559%0.586SS**  trans-165.551.4170-90.2-29.4000112.9I350N348-I350 PolarHBondContact O-N 3.4Å
349F62.7Low73.7Confident124 Ų124110.7 Ų110.754%0.54458%0.577SS.*  trans-8199.8176.5-166.9-100.8000110.5L342 I351 V354L342-F349 HydrophobicContact CD1-CE2 4.41Å; L342-F349 HydrophobicContact CD2-CE2 4.23Å; L342-F349 HydrophobicContact CD2-CZ 4.46Å; L342-F349 HydrophobicContact CG-CE2 4.49Å; F349-I351 HydrophobicContact CD1-CG1 4.15Å; F349-I351 HydrophobicContact CE1-CG1 4.37Å; F349-I351 PolarHBondContact O-N 3.02Å; F349-V354 HydrophobicContact CD1-CG2 4.39Å; F349-V354 HydrophobicContact CE1-CG2 3.36Å; F349-V354 HydrophobicContact CE2-CG2 3.77Å; F349-V354 HydrophobicContact CZ-CB 4.37Å; F349-V354 HydrophobicContact CZ-CG2 3Å
350I69Low74.1Confident92 Ų92112.9 Ų112.947%0.47259%0.59SS.*  trans-78.5107.3170.1-58.1173.7000106.7N348 D352 E353N348-I350 PolarHBondContact O-N 3.4Å; I350-D352 HydrophobicContact CG2-CB 4.02Å; I350-D352 PolarHBondContact O-N 2.96Å; I350-D352 VanDerWaalsContact O-N 3.08Å; I350-E353 HydrophobicContact CB-CG 4.16Å; I350-E353 HydrophobicContact CG2-CG 4.26Å; I350-E353 PolarHBondContact O-N 3.21Å
351I69.9Low74.3Confident111 Ų111111.7 Ų111.757%0.56959%0.586SS**Hα-helixtrans-52-34.7-179.3-64.4170.1000111.1F349 E353 V354 F355F349-I351 HydrophobicContact CD1-CG1 4.15Å; F349-I351 HydrophobicContact CE1-CG1 4.37Å; F349-I351 PolarHBondContact O-N 3.02Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.08Å; I351-V354 WeakPolarHBondContact O-CB 3.41Å; I351-V354 WeakPolarHBondContact O-CG2 3.28Å; I351-V354 PolarHBondContact O-N 3.07Å; I351-F355 HydrophobicContact CG2-CD2 4.43Å; I351-F355 HydrophobicContact CG2-CE2 3.86Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å
352D68.6Low74.6Confident128 Ų128110.1 Ų110.168%0.68458%0.577SS**Hα-helixtrans-67.1-22.9-179.4-58.6-24.3000113.8I350 V354I350-D352 HydrophobicContact CG2-CB 4.02Å; I350-D352 PolarHBondContact O-N 2.96Å; I350-D352 VanDerWaalsContact O-N 3.08Å; D352-V354 VanDerWaalsContact C-N 3.3Å
353E71.3Confident75.3Confident136 Ų136110.6 Ų110.664%0.63657%0.572SS**Hα-helixtrans-78-16.5176.8-70.8-167.6169.900113.3I350 I351 F355I350-E353 HydrophobicContact CB-CG 4.16Å; I350-E353 HydrophobicContact CG2-CG 4.26Å; I350-E353 PolarHBondContact O-N 3.21Å; I351-E353 VanDerWaalsContact C-N 3.28Å; I351-E353 PolarHBondContact O-N 3.08Å; E353-F355 VanDerWaalsContact C-N 3.32Å
354V67Low76Confident79 Ų79107.6 Ų107.648%0.47957%0.565SS.*Hα-helixtrans-72.6-32.8177.5-171.70000111.1F349 I351 D352 D356F349-V354 HydrophobicContact CD1-CG2 4.39Å; F349-V354 HydrophobicContact CE1-CG2 3.36Å; F349-V354 HydrophobicContact CE2-CG2 3.77Å; F349-V354 HydrophobicContact CZ-CB 4.37Å; F349-V354 HydrophobicContact CZ-CG2 3Å; I351-V354 WeakPolarHBondContact O-CB 3.41Å; I351-V354 WeakPolarHBondContact O-CG2 3.28Å; I351-V354 PolarHBondContact O-N 3.07Å; D352-V354 VanDerWaalsContact C-N 3.3Å; V354-D356 PolarHBondContact O-N 3.47Å
355F66.9Low76.6Confident161 Ų161101.2 Ų101.271%0.70654%0.538SS*.  trans-94.678.2-177.3-60.4-75.5000109.5I351 E353I351-F355 HydrophobicContact CG2-CD2 4.43Å; I351-F355 HydrophobicContact CG2-CE2 3.86Å; I351-F355 WeakPolarHBondContact O-CD2 3.39Å; E353-F355 VanDerWaalsContact C-N 3.32Å
356D74.1Confident77.7Confident99 Ų99101.4 Ų101.453%0.52954%0.536SS..  trans-89.8147.9167.3-152.7-1.1000111.2V354 R363V354-D356 PolarHBondContact O-N 3.47Å; D356-R363 WeakPolarHBondContact OD1-CD 3.4Å; D356-R363 IonicContact OD1-CZ 2.81Å; D356-R363 IonicContact OD1-NE 3.99Å; D356-R363 IonicContact OD1-NH1 2.65Å; D356-R363 PolarHBondContact OD1-NH1 2.89Å; D356-R363 IonicContact OD2-NH1 2.86Å; D356-R363 PolarHBondContact OD2-NH1 3.4Å
357T83.9Confident79.2Confident37 Ų3798.3 Ų98.323%0.22752%0.522CS..  trans-83157.5172.665.90000110.4A359 R363 V366T357-A359 PolarHBondContact O-N 3.48Å; T357-A359 VanDerWaalsContact O-N 3.08Å; T357-A359 PolarHBondContact OG1-O 2.97Å; T357-R363 VanDerWaalsContact OG1-CA 3.28Å; T357-R363 WeakPolarHBondContact OG1-CA 3.44Å; T357-R363 WeakPolarHBondContact OG1-CB 3.34Å; T357-R363 PolarHBondContact OG1-N 3.19Å; T357-V366 HydrophobicContact CG2-CG2 3.92Å
358T85.3Confident80.8Confident149 Ų14994 Ų9491%0.91449%0.491SS*.SBendtrans-62.2-20.4-177.7-39.10000114.1
359A87.9Confident82.4Confident34 Ų3490.4 Ų90.428%0.28147%0.468SS..SBendtrans-145.1149.8-178.700000112.3T357 L361 Y362 R363T357-A359 PolarHBondContact O-N 3.48Å; T357-A359 VanDerWaalsContact O-N 3.08Å; T357-A359 PolarHBondContact OG1-O 2.97Å; A359-L361 PolarHBondContact O-N 2.98Å; A359-Y362 HydrophobicContact CB-CD2 3.67Å; A359-Y362 HydrophobicContact CB-CE2 4.03Å; A359-Y362 PolarHBondContact O-N 2.92Å; A359-R363 PolarHBondContact O-N 3.25Å
360P91.2Very high83.9Confident112 Ų11287.1 Ų87.173%0.72746%0.464SS*.Hα-helixtrans-55.3-32-177.9-26.633.9000114.6R363 Q364P360-R363 PolarHBondContact O-N 3.43Å; P360-Q364 PolarHBondContact O-N 3.44Å
361L91.8Very high85.1Confident51 Ų5185.4 Ų85.427%0.26745%0.454SS..Hα-helixtrans-64-43.1177.7-179.165.7000112A359 R363 Q364 L365 C417 K420 A421A359-L361 PolarHBondContact O-N 2.98Å; L361-R363 VanDerWaalsContact C-N 3.33Å; L361-Q364 PolarHBondContact O-N 2.67Å; L361-L365 PolarHBondContact O-N 2.94Å; L361-C417 HydrophobicContact CD1-CB 4.26Å; L361-K420 HydrophobicContact CD1-CB 4.36Å; L361-K420 HydrophobicContact CD2-CB 3.97Å; L361-A421 HydrophobicContact CD2-CB 4.01Å
362Y92Very high86.3Confident98 Ų9880.8 Ų80.838%0.38443%0.43SS..Hα-helixtrans-69-36177.9-61.8-59.1000110.7A359 Q364 L365 V366 A421A359-Y362 HydrophobicContact CB-CD2 3.67Å; A359-Y362 HydrophobicContact CB-CE2 4.03Å; A359-Y362 PolarHBondContact O-N 2.92Å; Y362-Q364 VanDerWaalsContact C-N 3.34Å; Y362-Q364 PolarHBondContact O-N 3.35Å; Y362-L365 WeakPolarHBondContact O-CB 3.43Å; Y362-L365 PolarHBondContact O-N 3.28Å; Y362-V366 WeakPolarHBondContact O-CG2 3.37Å; Y362-V366 PolarHBondContact O-N 3.04Å; Y362-A421 HydrophobicContact CE1-CB 3.86Å
363R91.1Very high87.6Confident109 Ų10978.1 Ų78.141%0.41141%0.414SS..Hα-helixtrans-60.6-47.5174.8-169.3-178.5177.2104.91.5110.2D356 T357 A359 P360 L361 L365 V366 V367D356-R363 WeakPolarHBondContact OD1-CD 3.4Å; D356-R363 IonicContact OD1-CZ 2.81Å; D356-R363 IonicContact OD1-NE 3.99Å; D356-R363 IonicContact OD1-NH1 2.65Å; D356-R363 PolarHBondContact OD1-NH1 2.89Å; D356-R363 IonicContact OD2-NH1 2.86Å; D356-R363 PolarHBondContact OD2-NH1 3.4Å; T357-R363 VanDerWaalsContact OG1-CA 3.28Å; T357-R363 WeakPolarHBondContact OG1-CA 3.44Å; T357-R363 WeakPolarHBondContact OG1-CB 3.34Å; T357-R363 PolarHBondContact OG1-N 3.19Å; A359-R363 PolarHBondContact O-N 3.25Å; P360-R363 PolarHBondContact O-N 3.43Å; L361-R363 VanDerWaalsContact C-N 3.33Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.25Å; R363-V366 PolarHBondContact O-N 3.44Å; R363-V367 HydrophobicContact CG-CG2 4.44Å; R363-V367 WeakPolarHBondContact O-CB 3.41Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.29Å; R363-V367 PolarHBondContact O-N 3.4Å
364Q93.1Very high88.8Confident101 Ų10174.3 Ų74.347%0.47241%0.405SS..Hα-helixtrans-60.1-40.8176.3-174.1176.27.900111.9P360 L361 Y362 S368 T413P360-Q364 PolarHBondContact O-N 3.44Å; L361-Q364 PolarHBondContact O-N 2.67Å; Y362-Q364 VanDerWaalsContact C-N 3.34Å; Y362-Q364 PolarHBondContact O-N 3.35Å; Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 2.81Å; Q364-S368 PolarHBondContact O-OG 3.48Å; Q364-T413 HydrophobicContact CG-CG2 4.47Å
365L92.9Very high90.2Very high21 Ų2171 Ų7111%0.1139%0.385CS..Hα-helixtrans-61.6-50.8177.1179.465.6000111.6L361 Y362 R363 S368 F369 V414 C417 R418 L423L361-L365 PolarHBondContact O-N 2.94Å; Y362-L365 WeakPolarHBondContact O-CB 3.43Å; Y362-L365 PolarHBondContact O-N 3.28Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 3.25Å; L365-S368 PolarHBondContact O-N 3.19Å; L365-F369 VanDerWaalsContact O-CB 3.31Å; L365-F369 WeakPolarHBondContact O-CB 3.34Å; L365-F369 PolarHBondContact O-N 3.02Å; L365-V414 HydrophobicContact CD1-CB 4.31Å; L365-V414 HydrophobicContact CD1-CG1 3.82Å; L365-V414 HydrophobicContact CD1-CG2 4.49Å; L365-C417 HydrophobicContact CB-CB 4.05Å; L365-C417 HydrophobicContact CD1-CB 3.77Å; L365-C417 HydrophobicContact CG-CB 4.46Å; L365-R418 HydrophobicContact CD1-CG 3.78Å; L365-R418 HydrophobicContact CD2-CG 4.32Å; L365-L423 HydrophobicContact CD2-CD1 3.79Å
366V91.6Very high91.6Very high84 Ų8467.8 Ų67.851%0.50937%0.372SS..Hα-helixtrans-62.6-47.8-178.9172.30000110.9T357 Y362 R363 S368 F369 A370T357-V366 HydrophobicContact CG2-CG2 3.92Å; Y362-V366 WeakPolarHBondContact O-CG2 3.37Å; Y362-V366 PolarHBondContact O-N 3.04Å; R363-V366 PolarHBondContact O-N 3.44Å; V366-S368 PolarHBondContact O-N 2.87Å; V366-F369 PolarHBondContact O-N 3.41Å; V366-A370 VanDerWaalsContact O-CB 3.29Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.05Å
367V92.5Very high92.7Very high77 Ų7767.7 Ų67.747%0.46737%0.372SS..Hα-helixtrans-62.5-45.7179.1172.80000111.1R363 F369 A370 E371R363-V367 HydrophobicContact CG-CG2 4.44Å; R363-V367 WeakPolarHBondContact O-CB 3.41Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.29Å; R363-V367 PolarHBondContact O-N 3.4Å; V367-F369 VanDerWaalsContact C-N 3.33Å; V367-F369 PolarHBondContact O-N 3.39Å; V367-A370 PolarHBondContact O-N 2.96Å; V367-E371 WeakPolarHBondContact O-CB 3.22Å; V367-E371 PolarHBondContact O-N 3.27Å
368S93.6Very high93.3Very high11 Ų1167.9 Ų67.98%0.07738%0.377CS..Hα-helixtrans-64.7-39-179.1-550000111.9Q364 L365 V366 E372Q364-S368 VanDerWaalsContact O-CB 3.23Å; Q364-S368 WeakPolarHBondContact O-CB 3.28Å; Q364-S368 PolarHBondContact O-N 2.81Å; Q364-S368 PolarHBondContact O-OG 3.48Å; L365-S368 PolarHBondContact O-N 3.19Å; V366-S368 PolarHBondContact O-N 2.87Å; S368-E372 WeakPolarHBondContact O-CB 3.4Å; S368-E372 PolarHBondContact O-N 2.92Å
369F94.1Very high93.7Very high84 Ų8462.5 Ų62.537%0.36834%0.342SS..Hα-helixtrans-71.4-42.6177.7-175.2-100.5000112.1L365 V366 V367 E371 E372 Q373 V414 L426L365-F369 VanDerWaalsContact O-CB 3.31Å; L365-F369 WeakPolarHBondContact O-CB 3.34Å; L365-F369 PolarHBondContact O-N 3.02Å; V366-F369 PolarHBondContact O-N 3.41Å; V367-F369 VanDerWaalsContact C-N 3.33Å; V367-F369 PolarHBondContact O-N 3.39Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 3.43Å; F369-E372 WeakPolarHBondContact O-CB 3.45Å; F369-E372 PolarHBondContact O-N 3.2Å; F369-Q373 HydrophobicContact CD1-CG 4.31Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CZ-CG 4.08Å; F369-Q373 WeakPolarHBondContact O-CG 3.39Å; F369-Q373 PolarHBondContact O-N 3.29Å; F369-V414 HydrophobicContact CB-CG2 4.09Å; F369-V414 HydrophobicContact CD2-CG1 4.41Å; F369-L426 HydrophobicContact CE2-CD1 4.41Å
370A93.4Very high94.1Very high55 Ų5568.2 Ų68.246%0.45536%0.357SS..Hα-helixtrans-60.9-42.2175.500000111.5V366 V367 E372 Q373 A374V366-A370 VanDerWaalsContact O-CB 3.29Å; V366-A370 WeakPolarHBondContact O-CB 3.5Å; V366-A370 PolarHBondContact O-N 3.05Å; V367-A370 PolarHBondContact O-N 2.96Å; A370-E372 VanDerWaalsContact C-N 3.34Å; A370-Q373 PolarHBondContact O-N 2.98Å; A370-A374 WeakPolarHBondContact O-CB 3.4Å; A370-A374 PolarHBondContact O-N 2.91Å
371E95.3Very high94.3Very high56 Ų5670 Ų7026%0.26235%0.35SS..Hα-helixtrans-65.9-36.4175.6-165.6-177.4154.200112.1V367 F369 A374 I375 R406 L410V367-E371 WeakPolarHBondContact O-CB 3.22Å; V367-E371 PolarHBondContact O-N 3.27Å; F369-E371 VanDerWaalsContact C-N 3.31Å; F369-E371 PolarHBondContact O-N 3.43Å; E371-A374 PolarHBondContact O-N 3.13Å; E371-I375 VanDerWaalsContact O-CG1 3.32Å; E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.39Å; E371-R406 IonicContact OE1-CZ 3.88Å; E371-R406 IonicContact OE1-NE 3.69Å; E371-R406 PolarHBondContact OE1-NE 3.3Å; E371-R406 IonicContact OE1-NH2 2.88Å; E371-R406 PolarHBondContact OE1-NH2 2.94Å; E371-L410 HydrophobicContact CB-CD1 3.91Å; E371-L410 HydrophobicContact CB-CD2 4.23Å; E371-L410 HydrophobicContact CG-CD1 3.67Å; E371-L410 HydrophobicContact CG-CD2 4.38Å
372E95Very high94.4Very high15 Ų1569 Ų697%0.0735%0.345CS..Hα-helixtrans-60.9-46.7174.6-173.4-162.7154.600111.8S368 F369 A370 I375 E376 Q407 L410 R411S368-E372 WeakPolarHBondContact O-CB 3.4Å; S368-E372 PolarHBondContact O-N 2.92Å; F369-E372 WeakPolarHBondContact O-CB 3.45Å; F369-E372 PolarHBondContact O-N 3.2Å; A370-E372 VanDerWaalsContact C-N 3.34Å; E372-I375 PolarHBondContact O-N 3.39Å; E372-E376 PolarHBondContact O-N 3.27Å; E372-Q407 HydrophobicContact CG-CG 3.88Å; E372-L410 HydrophobicContact CB-CB 4.23Å; E372-R411 HydrophobicContact CG-CG 3.98Å; E372-R411 WeakPolarHBondContact OE1-CG 3.49Å; E372-R411 IonicContact OE1-CZ 3.39Å; E372-R411 IonicContact OE1-NE 3.88Å; E372-R411 PolarHBondContact OE1-NE 3.06Å; E372-R411 IonicContact OE1-NH2 3.47Å; E372-R411 PolarHBondContact OE1-NH2 2.92Å
373Q95.5Very high94.4Very high72 Ų7265.4 Ų65.434%0.33634%0.338SS..Hα-helixtrans-65.5-41.4177.7-64.8-58.6-43.800111.4F369 A370 I375 E376 D377F369-Q373 HydrophobicContact CD1-CG 4.31Å; F369-Q373 HydrophobicContact CE1-CG 3.92Å; F369-Q373 HydrophobicContact CZ-CG 4.08Å; F369-Q373 WeakPolarHBondContact O-CG 3.39Å; F369-Q373 PolarHBondContact O-N 3.29Å; A370-Q373 PolarHBondContact O-N 2.98Å; Q373-I375 PolarHBondContact O-N 3.47Å; Q373-E376 WeakPolarHBondContact O-CB 3.47Å; Q373-E376 PolarHBondContact O-N 3.41Å; Q373-D377 PolarHBondContact O-N 3.36Å; Q373-D377 VanDerWaalsContact O-N 3.13Å
374A96.5Very high94.5Very high55 Ų5563.8 Ų63.846%0.45534%0.335SS..Hα-helixtrans-61.5-31.9175.800000112.8A370 E371 A378A370-A374 WeakPolarHBondContact O-CB 3.4Å; A370-A374 PolarHBondContact O-N 2.91Å; E371-A374 PolarHBondContact O-N 3.13Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.27Å; A374-A378 PolarHBondContact O-N 3.17Å
375I96.9Very high94.5Very high10 Ų1060.1 Ų60.15%0.05132%0.322CS..Hα-helixtrans-69.8-38.2174-70.3170.3000111.6E371 E372 Q373 D377 A378 I379 L403 R406 Q407 L410E371-I375 VanDerWaalsContact O-CG1 3.32Å; E371-I375 WeakPolarHBondContact O-CG1 3.45Å; E371-I375 PolarHBondContact O-N 3.39Å; E372-I375 PolarHBondContact O-N 3.39Å; Q373-I375 PolarHBondContact O-N 3.47Å; I375-D377 VanDerWaalsContact C-N 3.35Å; I375-A378 PolarHBondContact O-N 3.02Å; I375-I379 HydrophobicContact CG2-CD1 3.84Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 2.97Å; I375-L403 HydrophobicContact CG1-CD2 4.36Å; I375-L403 HydrophobicContact CG2-CB 3.89Å; I375-L403 HydrophobicContact CG2-CD2 4.37Å; I375-R406 HydrophobicContact CD1-CB 3.93Å; I375-R406 HydrophobicContact CD1-CG 3.75Å; I375-Q407 HydrophobicContact CD1-CB 4.39Å; I375-Q407 HydrophobicContact CG2-CB 3.94Å; I375-Q407 HydrophobicContact CG2-CG 4.33Å; I375-L410 HydrophobicContact CD1-CD1 3.48Å; I375-L410 VanDerWaalsContact CD1-CD1 3.48Å
376E95.7Very high94.4Very high94 Ų9461.8 Ų61.844%0.43933%0.33SS..Hα-helixtrans-60.8-46.1176.8-169.1162.817700111E372 Q373 A378 I379 Y380E372-E376 PolarHBondContact O-N 3.27Å; Q373-E376 WeakPolarHBondContact O-CB 3.47Å; Q373-E376 PolarHBondContact O-N 3.41Å; E376-A378 PolarHBondContact O-N 3.32Å; E376-I379 PolarHBondContact O-N 3.5Å; E376-Y380 PolarHBondContact O-N 3.03Å
377D97.1Very high94.3Very high97 Ų9760.7 Ų60.752%0.51934%0.336SS..Hα-helixtrans-61.7-43.6172.7-69.4-19.1000112Q373 I375 I379 Y380 Y381Q373-D377 PolarHBondContact O-N 3.36Å; Q373-D377 VanDerWaalsContact O-N 3.13Å; I375-D377 VanDerWaalsContact C-N 3.35Å; D377-I379 VanDerWaalsContact C-N 3.32Å; D377-I379 PolarHBondContact O-N 2.85Å; D377-Y380 WeakPolarHBondContact O-CB 3.38Å; D377-Y380 PolarHBondContact O-N 2.65Å; D377-Y381 WeakPolarHBondContact O-CD2 3.36Å; D377-Y381 PolarHBondContact O-N 2.99Å
378A96.3Very high94.3Very high41 Ų4163.4 Ų63.434%0.33934%0.341SS..Hα-helixtrans-61.7-40.3178.500000112A374 I375 E376 L382 L403A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.27Å; A374-A378 PolarHBondContact O-N 3.17Å; I375-A378 PolarHBondContact O-N 3.02Å; E376-A378 PolarHBondContact O-N 3.32Å; A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 PolarHBondContact O-N 3.36Å; A378-L403 HydrophobicContact CB-CD1 4.13Å
379I95.3Very high94.1Very high36 Ų3669.8 Ų69.819%0.18538%0.375CS..Hα-helixtrans-65.9-40.2175.5-69169.5000110.4I375 E376 D377 L382 G383 L403I375-I379 HydrophobicContact CG2-CD1 3.84Å; I375-I379 HydrophobicContact CG2-CG1 4.29Å; I375-I379 WeakPolarHBondContact O-CG1 3.49Å; I375-I379 PolarHBondContact O-N 2.97Å; E376-I379 PolarHBondContact O-N 3.5Å; D377-I379 VanDerWaalsContact C-N 3.32Å; D377-I379 PolarHBondContact O-N 2.85Å; I379-L382 PolarHBondContact O-N 3.21Å; I379-G383 PolarHBondContact O-N 3.16Å; I379-L403 HydrophobicContact CD1-CB 4.13Å; I379-L403 HydrophobicContact CG1-CB 4.02Å; I379-L403 HydrophobicContact CG1-CD1 3.92Å
380Y95.1Very high94Very high153 Ų15370.8 Ų70.860%0.639%0.387SS*.Hα-helixtrans-58.8-53.6175.7175.6-91.8000111.8E376 D377 L382 G383 E384E376-Y380 PolarHBondContact O-N 3.03Å; D377-Y380 WeakPolarHBondContact O-CB 3.38Å; D377-Y380 PolarHBondContact O-N 2.65Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 2.96Å; Y380-G383 WeakPolarHBondContact O-CA 3.29Å; Y380-G383 PolarHBondContact O-N 3.08Å; Y380-E384 PolarHBondContact O-N 2.78Å
381Y95.1Very high93.7Very high149 Ų14970.8 Ų70.858%0.58438%0.377SS*.Hα-helixtrans-67.8-30.4179.8-74.5-65.5000113.2D377 G383 E384 A385D377-Y381 WeakPolarHBondContact O-CD2 3.36Å; D377-Y381 PolarHBondContact O-N 2.99Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; Y381-E384 PolarHBondContact O-N 3.2Å; Y381-A385 WeakPolarHBondContact O-CB 3.46Å; Y381-A385 PolarHBondContact O-N 2.95Å
382L93.9Very high93.5Very high31 Ų3173.3 Ų73.316%0.16239%0.392CS..Hα-helixtrans-65.1-39.1171.1-166.878.2000110.7A378 I379 Y380 A385 M386 F391 Y396 K399 V400A378-L382 WeakPolarHBondContact O-CB 3.45Å; A378-L382 PolarHBondContact O-N 3.36Å; I379-L382 PolarHBondContact O-N 3.21Å; Y380-L382 VanDerWaalsContact C-N 3.31Å; Y380-L382 PolarHBondContact O-N 2.96Å; L382-A385 PolarHBondContact O-N 2.8Å; L382-M386 PolarHBondContact O-N 3.42Å; L382-F391 HydrophobicContact CD1-CE1 3.78Å; L382-F391 HydrophobicContact CD1-CE2 4.06Å; L382-F391 HydrophobicContact CD1-CZ 3.33Å; L382-F391 HydrophobicContact CG-CE2 4.21Å; L382-F391 HydrophobicContact CG-CZ 3.68Å; L382-F391 WeakPolarHBondContact O-CZ 3.4Å; L382-Y396 HydrophobicContact CB-CE2 4.42Å; L382-Y396 HydrophobicContact CD2-CD2 3.81Å; L382-Y396 HydrophobicContact CD2-CE2 4.04Å; L382-Y396 HydrophobicContact CG-CD2 3.78Å; L382-Y396 HydrophobicContact CG-CE2 4.07Å; L382-K399 HydrophobicContact CD1-CB 4.44Å; L382-K399 HydrophobicContact CD2-CB 3.63Å; L382-V400 HydrophobicContact CD2-CG2 3.65Å
383G92.9Very high93.3Very high23 Ų2376.4 Ų76.424%0.23741%0.412CS..Hα-helixtrans-61.4-43.1172.400000112.5I379 Y380 Y381 M386 G387I379-G383 PolarHBondContact O-N 3.16Å; Y380-G383 WeakPolarHBondContact O-CA 3.29Å; Y380-G383 PolarHBondContact O-N 3.08Å; Y381-G383 VanDerWaalsContact C-N 3.33Å; G383-M386 PolarHBondContact O-N 3.12Å; G383-G387 PolarHBondContact O-N 2.81Å; G383-G387 VanDerWaalsContact O-N 3.11Å
384E92.8Very high93.3Very high74 Ų7480.3 Ų80.335%0.34643%0.431SS..Hα-helixtrans-66.2-41.5177.9-162.7-171.7154.300112.4Y380 Y381 M386 G387 K388Y380-E384 PolarHBondContact O-N 2.78Å; Y381-E384 PolarHBondContact O-N 3.2Å; E384-M386 VanDerWaalsContact C-N 3.34Å; E384-M386 PolarHBondContact O-N 3.34Å; E384-G387 PolarHBondContact O-N 3.45Å; E384-G387 VanDerWaalsContact O-N 3.15Å; E384-K388 PolarHBondContact O-N 2.82Å; E384-K388 VanDerWaalsContact OE1-CE 3.27Å; E384-K388 WeakPolarHBondContact OE1-CE 3.22Å; E384-K388 IonicContact OE1-NZ 2.65Å; E384-K388 PolarHBondContact OE1-NZ 3.5Å
385A92.6Very high93.1Very high24 Ų2481.3 Ų81.320%0.19843%0.431CS..Hα-helixtrans-67-33.717800000112.7Y381 L382 K388 N389 V390 F391Y381-A385 WeakPolarHBondContact O-CB 3.46Å; Y381-A385 PolarHBondContact O-N 2.95Å; L382-A385 PolarHBondContact O-N 2.8Å; A385-K388 PolarHBondContact O-N 3Å; A385-N389 PolarHBondContact O-N 3.04Å; A385-V390 HydrophobicContact CB-CB 4.33Å; A385-V390 HydrophobicContact CB-CG2 4.33Å; A385-V390 WeakPolarHBondContact O-CB 3.32Å; A385-V390 WeakPolarHBondContact O-CG2 3.33Å; A385-V390 PolarHBondContact O-N 3.4Å; A385-F391 HydrophobicContact CB-CD1 4.4Å; A385-F391 HydrophobicContact CB-CE1 3.4Å; A385-F391 HydrophobicContact CB-CZ 3.77Å
386M90.8Very high93Very high57 Ų5783 Ų8328%0.28144%0.437SS..Hα-helixtrans-63.1-44.5169.3-174.2-17263.100110.9L382 G383 E384 K388 N389 F391 V393 Y396L382-M386 PolarHBondContact O-N 3.42Å; G383-M386 PolarHBondContact O-N 3.12Å; E384-M386 VanDerWaalsContact C-N 3.34Å; E384-M386 PolarHBondContact O-N 3.34Å; M386-K388 PolarHBondContact O-N 2.68Å; M386-N389 PolarHBondContact O-N 3.46Å; M386-F391 HydrophobicContact CB-CE2 3.77Å; M386-F391 HydrophobicContact CB-CZ 4.23Å; M386-F391 HydrophobicContact CG-CE2 4.43Å; M386-V393 HydrophobicContact SD-CG2 4.48Å; M386-Y396 HydrophobicContact CB-CD2 4.09Å; M386-Y396 HydrophobicContact CB-CG 4.39Å; M386-Y396 HydrophobicContact CE-CD1 4.29Å; M386-Y396 HydrophobicContact CE-CE1 4.15Å; M386-Y396 HydrophobicContact CG-CD2 4.49Å; M386-Y396 HydrophobicContact CG-CG 4.3Å; M386-Y396 HydrophobicContact SD-CD1 3.43Å; M386-Y396 WeakPolarHBondContact SD-CD1 3.34Å; M386-Y396 HydrophobicContact SD-CD2 3.97Å; M386-Y396 HydrophobicContact SD-CE1 3.91Å; M386-Y396 HydrophobicContact SD-CE2 4.41Å; M386-Y396 HydrophobicContact SD-CG 3.47Å
387G89.5Confident92.9Very high60 Ų6083.2 Ų83.262%0.61944%0.44SS*.Hα-helixtrans-61.2-26.9176.400000113.9G383 E384 N389G383-G387 PolarHBondContact O-N 2.81Å; G383-G387 VanDerWaalsContact O-N 3.11Å; E384-G387 PolarHBondContact O-N 3.45Å; E384-G387 VanDerWaalsContact O-N 3.15Å; G387-N389 VanDerWaalsContact C-N 3.33Å
388K93.7Very high92.8Very high135 Ų13586 Ų8659%0.58745%0.448SS*.THydrogen-bonded Turntrans-87.65.6173.6-66.6176.7-173.2168.80113.8E384 A385 M386 V390E384-K388 PolarHBondContact O-N 2.82Å; E384-K388 VanDerWaalsContact OE1-CE 3.27Å; E384-K388 WeakPolarHBondContact OE1-CE 3.22Å; E384-K388 IonicContact OE1-NZ 2.65Å; E384-K388 PolarHBondContact OE1-NZ 3.5Å; A385-K388 PolarHBondContact O-N 3Å; M386-K388 PolarHBondContact O-N 2.68Å; K388-V390 VanDerWaalsContact C-N 3.31Å; K388-V390 HydrophobicContact CB-CG2 4.11Å; K388-V390 PolarHBondContact O-N 3.05Å
389N88.7Confident92.8Very high145 Ų14588.1 Ų88.178%0.77545%0.45SS*.THydrogen-bonded Turntrans57.835.4-178.2-56.9-72.1000114.1A385 M386 G387A385-N389 PolarHBondContact O-N 3.04Å; M386-N389 PolarHBondContact O-N 3.46Å; G387-N389 VanDerWaalsContact C-N 3.33Å
390V91.4Very high92.8Very high105 Ų10587.7 Ų87.764%0.63645%0.449SS*.SBendtrans-74.4-30.5178-178.90000111.9A385 K388A385-V390 HydrophobicContact CB-CB 4.33Å; A385-V390 HydrophobicContact CB-CG2 4.33Å; A385-V390 WeakPolarHBondContact O-CB 3.32Å; A385-V390 WeakPolarHBondContact O-CG2 3.33Å; A385-V390 PolarHBondContact O-N 3.4Å; K388-V390 VanDerWaalsContact C-N 3.31Å; K388-V390 HydrophobicContact CB-CG2 4.11Å; K388-V390 PolarHBondContact O-N 3.05Å
391F87.5Confident92.9Very high54 Ų5489.7 Ų89.724%0.23746%0.455CS..SBendtrans-147.1161.4177.547.4-99.9000111.5L382 A385 M386 V395 Y396L382-F391 HydrophobicContact CD1-CE1 3.78Å; L382-F391 HydrophobicContact CD1-CE2 4.06Å; L382-F391 HydrophobicContact CD1-CZ 3.33Å; L382-F391 HydrophobicContact CG-CE2 4.21Å; L382-F391 HydrophobicContact CG-CZ 3.68Å; L382-F391 WeakPolarHBondContact O-CZ 3.4Å; A385-F391 HydrophobicContact CB-CD1 4.4Å; A385-F391 HydrophobicContact CB-CE1 3.4Å; A385-F391 HydrophobicContact CB-CZ 3.77Å; M386-F391 HydrophobicContact CB-CE2 3.77Å; M386-F391 HydrophobicContact CB-CZ 4.23Å; M386-F391 HydrophobicContact CG-CE2 4.43Å; F391-V395 HydrophobicContact CB-CB 4.33Å; F391-V395 HydrophobicContact CB-CG1 4.35Å; F391-Y396 AromaticContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CG 4.27Å; F391-Y396 HydrophobicContact CZ-CD2 4.47Å
392D90.8Very high92.9Very high109 Ų10987.8 Ų87.858%0.58345%0.451SS*.  trans-71.5154.3-179.5-1622.8000112.4E394 V395 Y396D392-E394 PolarHBondContact O-N 2.95Å; D392-V395 HydrophobicContact CB-CG2 4.44Å; D392-V395 WeakPolarHBondContact O-CB 3.41Å; D392-V395 PolarHBondContact O-N 3.42Å; D392-Y396 PolarHBondContact O-N 2.94Å
393V92.4Very high93.1Very high80 Ų8088.2 Ų88.249%0.48545%0.454SS..Hα-helixtrans-59.8-33.7-177.7179.60000111.2M386 V395 Y396 L397M386-V393 HydrophobicContact SD-CG2 4.48Å; V393-V395 VanDerWaalsContact C-N 3.33Å; V393-V395 PolarHBondContact O-N 2.89Å; V393-Y396 WeakPolarHBondContact O-CB 3.42Å; V393-Y396 PolarHBondContact O-N 3.24Å; V393-L397 HydrophobicContact CG1-CD1 4.09Å; V393-L397 HydrophobicContact CG1-CG 4.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.96Å
394E93.6Very high93.2Very high155 Ų15589.5 Ų89.572%0.72446%0.459SS*.Hα-helixtrans-65.5-38176.9-168.2172.7-175.900112D392 K398D392-E394 PolarHBondContact O-N 2.95Å; E394-K398 WeakPolarHBondContact O-CB 3.32Å; E394-K398 PolarHBondContact O-N 3.31Å
395V93.5Very high93.4Very high76 Ų7695.3 Ų95.346%0.46148%0.478SS..Hα-helixtrans-67.8-42.7176.1-1780000110.4F391 D392 V393 K398 K399F391-V395 HydrophobicContact CB-CB 4.33Å; F391-V395 HydrophobicContact CB-CG1 4.35Å; D392-V395 HydrophobicContact CB-CG2 4.44Å; D392-V395 WeakPolarHBondContact O-CB 3.41Å; D392-V395 PolarHBondContact O-N 3.42Å; V393-V395 VanDerWaalsContact C-N 3.33Å; V393-V395 PolarHBondContact O-N 2.89Å; V395-K398 PolarHBondContact O-N 3.08Å; V395-K399 PolarHBondContact O-N 2.74Å
396Y93.6Very high93.6Very high46 Ų46101.1 Ų101.118%0.1849%0.494CS..Hα-helixtrans-53.9-57173.4175.6-108.7000111.2L382 M386 F391 D392 V393 K398 K399 V400L382-Y396 HydrophobicContact CB-CE2 4.42Å; L382-Y396 HydrophobicContact CD2-CD2 3.81Å; L382-Y396 HydrophobicContact CD2-CE2 4.04Å; L382-Y396 HydrophobicContact CG-CD2 3.78Å; L382-Y396 HydrophobicContact CG-CE2 4.07Å; M386-Y396 HydrophobicContact CB-CD2 4.09Å; M386-Y396 HydrophobicContact CB-CG 4.39Å; M386-Y396 HydrophobicContact CE-CD1 4.29Å; M386-Y396 HydrophobicContact CE-CE1 4.15Å; M386-Y396 HydrophobicContact CG-CD2 4.49Å; M386-Y396 HydrophobicContact CG-CG 4.3Å; M386-Y396 HydrophobicContact SD-CD1 3.43Å; M386-Y396 WeakPolarHBondContact SD-CD1 3.34Å; M386-Y396 HydrophobicContact SD-CD2 3.97Å; M386-Y396 HydrophobicContact SD-CE1 3.91Å; M386-Y396 HydrophobicContact SD-CE2 4.41Å; M386-Y396 HydrophobicContact SD-CG 3.47Å; F391-Y396 AromaticContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CD2 3.91Å; F391-Y396 HydrophobicContact CE2-CG 4.27Å; F391-Y396 HydrophobicContact CZ-CD2 4.47Å; D392-Y396 PolarHBondContact O-N 2.94Å; V393-Y396 WeakPolarHBondContact O-CB 3.42Å; V393-Y396 PolarHBondContact O-N 3.24Å; Y396-K398 VanDerWaalsContact C-N 3.29Å; Y396-K398 PolarHBondContact O-N 3.2Å; Y396-K399 PolarHBondContact O-N 2.93Å; Y396-K399 VanDerWaalsContact O-N 3.1Å; Y396-V400 HydrophobicContact CD1-CG2 4.29Å; Y396-V400 HydrophobicContact CD2-CG2 3.89Å; Y396-V400 HydrophobicContact CE1-CG2 3.9Å; Y396-V400 HydrophobicContact CE2-CG2 3.44Å; Y396-V400 VanDerWaalsContact CE2-CG2 3.44Å; Y396-V400 HydrophobicContact CG-CG2 4.29Å; Y396-V400 VanDerWaalsContact CZ-CG2 3.46Å; Y396-V400 WeakPolarHBondContact O-CG2 3.35Å; Y396-V400 PolarHBondContact O-N 3.46Å
397L94.7Very high93.9Very high97 Ų9799.6 Ų99.651%0.50849%0.487SS..Hα-helixtrans-62.7-36.6-175.7-70175.5000112.2V393 R401V393-L397 HydrophobicContact CG1-CD1 4.09Å; V393-L397 HydrophobicContact CG1-CG 4.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.96Å; L397-R401 VanDerWaalsContact O-CB 3.26Å; L397-R401 WeakPolarHBondContact O-CB 3.35Å; L397-R401 PolarHBondContact O-N 3.41Å
398K95.9Very high94.2Very high155 Ų155103.7 Ų103.767%0.67449%0.488SS*.Hα-helixtrans-63.1-44.7175-171.3176.5-178.5178.20111.3E394 V395 Y396 E402E394-K398 WeakPolarHBondContact O-CB 3.32Å; E394-K398 PolarHBondContact O-N 3.31Å; V395-K398 PolarHBondContact O-N 3.08Å; Y396-K398 VanDerWaalsContact C-N 3.29Å; Y396-K398 PolarHBondContact O-N 3.2Å; K398-E402 PolarHBondContact O-N 3.42Å; K398-E402 VanDerWaalsContact O-N 3.1Å
399K95.1Very high94.4Very high87 Ų87102.5 Ų102.538%0.37849%0.486SS..Hα-helixtrans-72.6-42.2-178.9-74.6-71.7162.4-160.30113L382 V395 Y396 R401 E402 L403L382-K399 HydrophobicContact CD1-CB 4.44Å; L382-K399 HydrophobicContact CD2-CB 3.63Å; V395-K399 PolarHBondContact O-N 2.74Å; Y396-K399 PolarHBondContact O-N 2.93Å; Y396-K399 VanDerWaalsContact O-N 3.1Å; K399-R401 VanDerWaalsContact C-N 3.3Å; K399-R401 PolarHBondContact O-N 2.99Å; K399-E402 IonicContact NZ-OE2 2.78Å; K399-E402 PolarHBondContact NZ-OE2 3.05Å; K399-E402 PolarHBondContact O-N 2.93Å; K399-L403 WeakPolarHBondContact O-CB 3.37Å; K399-L403 WeakPolarHBondContact O-CG 3.3Å; K399-L403 PolarHBondContact O-N 3.42Å
400V95.5Very high94.8Very high27 Ų2796.4 Ų96.416%0.16445%0.453CS..Hα-helixtrans-59.2-42.7173.1174.10000110.8L382 Y396 L403 S404L382-V400 HydrophobicContact CD2-CG2 3.65Å; Y396-V400 HydrophobicContact CD1-CG2 4.29Å; Y396-V400 HydrophobicContact CD2-CG2 3.89Å; Y396-V400 HydrophobicContact CE1-CG2 3.9Å; Y396-V400 HydrophobicContact CE2-CG2 3.44Å; Y396-V400 VanDerWaalsContact CE2-CG2 3.44Å; Y396-V400 HydrophobicContact CG-CG2 4.29Å; Y396-V400 VanDerWaalsContact CZ-CG2 3.46Å; Y396-V400 WeakPolarHBondContact O-CG2 3.35Å; Y396-V400 PolarHBondContact O-N 3.46Å; V400-L403 PolarHBondContact O-N 3.29Å; V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 3.39Å; V400-S404 PolarHBondContact O-OG 3.31Å
401R96.2Very high95Very high195 Ų19597 Ų9774%0.73644%0.444SS*.Hα-helixtrans-63.5-42.8177.8-175.9-179.3-69.2167.6-0.7112.3L397 K399 R405L397-R401 VanDerWaalsContact O-CB 3.26Å; L397-R401 WeakPolarHBondContact O-CB 3.35Å; L397-R401 PolarHBondContact O-N 3.41Å; K399-R401 VanDerWaalsContact C-N 3.3Å; K399-R401 PolarHBondContact O-N 2.99Å; R401-R405 WeakPolarHBondContact O-CB 3.18Å; R401-R405 PolarHBondContact O-N 3.15Å; R401-R405 VanDerWaalsContact O-N 3.12Å
402E96.6Very high95.3Very high109 Ų10996.5 Ų96.551%0.50945%0.449SS..Hα-helixtrans-61.2-49.8176.7-172.8-177.7174.600111.3K398 K399 R405 R406K398-E402 PolarHBondContact O-N 3.42Å; K398-E402 VanDerWaalsContact O-N 3.1Å; K399-E402 IonicContact NZ-OE2 2.78Å; K399-E402 PolarHBondContact NZ-OE2 3.05Å; K399-E402 PolarHBondContact O-N 2.93Å; E402-R405 PolarHBondContact O-N 3.45Å; E402-R406 PolarHBondContact O-N 2.79Å
403L97Very high95.5Very high40 Ų4093.4 Ų93.421%0.20943%0.434CS..Hα-helixtrans-64.4-44.8178.6-72.9178.9000112.4I375 A378 I379 K399 V400 R405 R406 Q407I375-L403 HydrophobicContact CG1-CD2 4.36Å; I375-L403 HydrophobicContact CG2-CB 3.89Å; I375-L403 HydrophobicContact CG2-CD2 4.37Å; A378-L403 HydrophobicContact CB-CD1 4.13Å; I379-L403 HydrophobicContact CD1-CB 4.13Å; I379-L403 HydrophobicContact CG1-CB 4.02Å; I379-L403 HydrophobicContact CG1-CD1 3.92Å; K399-L403 WeakPolarHBondContact O-CB 3.37Å; K399-L403 WeakPolarHBondContact O-CG 3.3Å; K399-L403 PolarHBondContact O-N 3.42Å; V400-L403 PolarHBondContact O-N 3.29Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.89Å; L403-R406 WeakPolarHBondContact O-CB 3.49Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.08Å; L403-Q407 PolarHBondContact O-N 3.11Å
404S96.4Very high95.6Very high49 Ų4989.9 Ų89.934%0.34341%0.413SS..Hα-helixtrans-61.7-37.7178.9-57.90000112V400 Q407 F408V400-S404 WeakPolarHBondContact O-CB 3.43Å; V400-S404 PolarHBondContact O-N 3.39Å; V400-S404 PolarHBondContact O-OG 3.31Å; S404-Q407 PolarHBondContact O-N 2.95Å; S404-F408 PolarHBondContact O-N 3.23Å
405R97Very high95.6Very high197 Ų19787.1 Ų87.174%0.74340%0.4SS*.Hα-helixtrans-65.1-40.7174.7-176.1179.2176.5179.4-0.5111.5R401 E402 L403 F408 M409R401-R405 WeakPolarHBondContact O-CB 3.18Å; R401-R405 PolarHBondContact O-N 3.15Å; R401-R405 VanDerWaalsContact O-N 3.12Å; E402-R405 PolarHBondContact O-N 3.45Å; L403-R405 VanDerWaalsContact C-N 3.3Å; L403-R405 PolarHBondContact O-N 2.89Å; R405-F408 PolarHBondContact O-N 3.43Å; R405-M409 WeakPolarHBondContact O-CG 3.26Å; R405-M409 PolarHBondContact O-N 3.38Å
406R96.8Very high95.6Very high145 Ų14589.9 Ų89.955%0.54741%0.406SS..Hα-helixtrans-66.7-43.8176.7-169.8173-177.6146.5-1.8111.2E371 I375 E402 L403 F408 M409 L410E371-R406 IonicContact OE1-CZ 3.88Å; E371-R406 IonicContact OE1-NE 3.69Å; E371-R406 PolarHBondContact OE1-NE 3.3Å; E371-R406 IonicContact OE1-NH2 2.88Å; E371-R406 PolarHBondContact OE1-NH2 2.94Å; I375-R406 HydrophobicContact CD1-CB 3.93Å; I375-R406 HydrophobicContact CD1-CG 3.75Å; E402-R406 PolarHBondContact O-N 2.79Å; L403-R406 WeakPolarHBondContact O-CB 3.49Å; L403-R406 PolarHBondContact O-N 2.93Å; L403-R406 VanDerWaalsContact O-N 3.08Å; R406-F408 VanDerWaalsContact C-N 3.33Å; R406-F408 PolarHBondContact O-N 3.48Å; R406-M409 PolarHBondContact O-N 3.05Å; R406-M409 VanDerWaalsContact O-N 3.16Å; R406-L410 HydrophobicContact CG-CD1 4.16Å; R406-L410 WeakPolarHBondContact O-CG 3.37Å; R406-L410 PolarHBondContact O-N 3.46Å
407Q96.5Very high95.6Very high26 Ų2688 Ų8812%0.12140%0.399CS..Hα-helixtrans-57.3-44.3174.4-164.7-176.733.300111.8E372 I375 L403 S404 M409 L410 R411E372-Q407 HydrophobicContact CG-CG 3.88Å; I375-Q407 HydrophobicContact CD1-CB 4.39Å; I375-Q407 HydrophobicContact CG2-CB 3.94Å; I375-Q407 HydrophobicContact CG2-CG 4.33Å; L403-Q407 PolarHBondContact O-N 3.11Å; S404-Q407 PolarHBondContact O-N 2.95Å; Q407-M409 PolarHBondContact O-N 3.15Å; Q407-L410 PolarHBondContact O-N 2.93Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å; Q407-R411 PolarHBondContact O-N 2.9Å
408F96.1Very high95.6Very high145 Ų14585.6 Ų85.664%0.63638%0.384SS*.Hα-helixtrans-59.1-44.4176.1179-94.1000112.4S404 R405 R406 R411 A412S404-F408 PolarHBondContact O-N 3.23Å; R405-F408 PolarHBondContact O-N 3.43Å; R406-F408 VanDerWaalsContact C-N 3.33Å; R406-F408 PolarHBondContact O-N 3.48Å; F408-R411 PolarHBondContact O-N 3.35Å; F408-A412 WeakPolarHBondContact O-CB 3.35Å; F408-A412 PolarHBondContact O-N 3.25Å
409M96.9Very high95.4Very high111 Ų11183.6 Ų83.655%0.54738%0.376SS..Hα-helixtrans-66.1-37.2177.6-68.3-60.7-61.800112.5R405 R406 Q407 T413R405-M409 WeakPolarHBondContact O-CG 3.26Å; R405-M409 PolarHBondContact O-N 3.38Å; R406-M409 PolarHBondContact O-N 3.05Å; R406-M409 VanDerWaalsContact O-N 3.16Å; Q407-M409 PolarHBondContact O-N 3.15Å; M409-T413 WeakPolarHBondContact O-CB 3.26Å; M409-T413 PolarHBondContact O-N 2.65Å; M409-T413 PolarHBondContact O-OG1 3.05Å
410L96.8Very high95.3Very high16 Ų1686.9 Ų86.98%0.08439%0.391CS..Hα-helixtrans-67.1-46.2176.2-70.3164.5000111.2E371 E372 I375 R406 Q407 A412 T413 V414E371-L410 HydrophobicContact CB-CD1 3.91Å; E371-L410 HydrophobicContact CB-CD2 4.23Å; E371-L410 HydrophobicContact CG-CD1 3.67Å; E371-L410 HydrophobicContact CG-CD2 4.38Å; E372-L410 HydrophobicContact CB-CB 4.23Å; I375-L410 HydrophobicContact CD1-CD1 3.48Å; I375-L410 VanDerWaalsContact CD1-CD1 3.48Å; R406-L410 HydrophobicContact CG-CD1 4.16Å; R406-L410 WeakPolarHBondContact O-CG 3.37Å; R406-L410 PolarHBondContact O-N 3.46Å; Q407-L410 PolarHBondContact O-N 2.93Å; L410-A412 VanDerWaalsContact C-N 3.33Å; L410-A412 PolarHBondContact O-N 3.1Å; L410-T413 CarbonylContact O-C 3.56Å; L410-T413 WeakPolarHBondContact O-CA 3.2Å; L410-T413 WeakPolarHBondContact O-CB 3.4Å; L410-T413 PolarHBondContact O-N 2.65Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 3.31Å
411R95.3Very high95Very high119 Ų11986.8 Ų86.845%0.44939%0.393SS..Hα-helixtrans-55.6-46.2173.6-77.7-178.9175.8176.82.6112.3E372 Q407 F408 T413 V414 Q415E372-R411 HydrophobicContact CG-CG 3.98Å; E372-R411 WeakPolarHBondContact OE1-CG 3.49Å; E372-R411 IonicContact OE1-CZ 3.39Å; E372-R411 IonicContact OE1-NE 3.88Å; E372-R411 PolarHBondContact OE1-NE 3.06Å; E372-R411 IonicContact OE1-NH2 3.47Å; E372-R411 PolarHBondContact OE1-NH2 2.92Å; Q407-R411 WeakPolarHBondContact O-CG 3.44Å; Q407-R411 PolarHBondContact O-N 2.9Å; F408-R411 PolarHBondContact O-N 3.35Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 3.06Å; R411-V414 PolarHBondContact O-N 3.42Å; R411-Q415 WeakPolarHBondContact O-CB 3.37Å; R411-Q415 PolarHBondContact O-N 3.47Å
412A95.2Very high94.6Very high43 Ų4380.8 Ų80.836%0.35539%0.391SS..Hα-helixtrans-62.3-36.8175.900000112.2F408 L410 K416F408-A412 WeakPolarHBondContact O-CB 3.35Å; F408-A412 PolarHBondContact O-N 3.25Å; L410-A412 VanDerWaalsContact C-N 3.33Å; L410-A412 PolarHBondContact O-N 3.1Å; A412-K416 WeakPolarHBondContact O-CB 3.43Å; A412-K416 PolarHBondContact O-N 3.19Å; A412-K416 VanDerWaalsContact O-N 3.12Å
413T95.2Very high94.1Very high43 Ų4378.7 Ų78.726%0.26438%0.384SS..Hα-helixtrans-68.4-46.3176.1-56.90000111.2Q364 M409 L410 R411 Q415 K416 C417Q364-T413 HydrophobicContact CG-CG2 4.47Å; M409-T413 WeakPolarHBondContact O-CB 3.26Å; M409-T413 PolarHBondContact O-N 2.65Å; M409-T413 PolarHBondContact O-OG1 3.05Å; L410-T413 CarbonylContact O-C 3.56Å; L410-T413 WeakPolarHBondContact O-CA 3.2Å; L410-T413 WeakPolarHBondContact O-CB 3.4Å; L410-T413 PolarHBondContact O-N 2.65Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 3.06Å; T413-Q415 PolarHBondContact O-N 3.35Å; T413-K416 PolarHBondContact O-N 3.03Å; T413-C417 WeakPolarHBondContact O-CB 3.38Å; T413-C417 PolarHBondContact O-N 2.85Å; T413-C417 PolarHBondContact O-SG 3.1Å; T413-C417 VanDerWaalsContact O-SG 3.37Å
414V94.7Very high93.5Very high7 Ų781.4 Ų81.44%0.04240%0.403CS..Hα-helixtrans-57.2-48.2175.9168.40000110.5L365 F369 L410 R411 K416 C417 R418L365-V414 HydrophobicContact CD1-CB 4.31Å; L365-V414 HydrophobicContact CD1-CG1 3.82Å; L365-V414 HydrophobicContact CD1-CG2 4.49Å; F369-V414 HydrophobicContact CB-CG2 4.09Å; F369-V414 HydrophobicContact CD2-CG1 4.41Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 3.31Å; R411-V414 PolarHBondContact O-N 3.42Å; V414-K416 PolarHBondContact O-N 2.96Å; V414-C417 PolarHBondContact O-N 3.23Å; V414-R418 WeakPolarHBondContact O-CG 3.46Å; V414-R418 PolarHBondContact O-N 3.29Å
415Q93.6Very high92.4Very high97 Ų9784 Ų8445%0.45341%0.413SS..Hα-helixtrans-57.8-48.3177.5-174.4171.42.600111.6R411 T413 C417 R418 E419 L425R411-Q415 WeakPolarHBondContact O-CB 3.37Å; R411-Q415 PolarHBondContact O-N 3.47Å; T413-Q415 PolarHBondContact O-N 3.35Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 3.01Å; Q415-R418 PolarHBondContact O-N 3.07Å; Q415-E419 WeakPolarHBondContact O-CG 3.46Å; Q415-E419 PolarHBondContact O-N 2.75Å; Q415-L425 HydrophobicContact CG-CD2 3.9Å
416K93.7Very high91Very high134 Ų13483 Ų8358%0.58342%0.421SS*.Hα-helixtrans-66.3-34.4179.3-159.6170.1-168.7170.60113A412 T413 V414 K420A412-K416 WeakPolarHBondContact O-CB 3.43Å; A412-K416 PolarHBondContact O-N 3.19Å; A412-K416 VanDerWaalsContact O-N 3.12Å; T413-K416 PolarHBondContact O-N 3.03Å; V414-K416 PolarHBondContact O-N 2.96Å; K416-K420 WeakPolarHBondContact O-CG 3.15Å; K416-K420 PolarHBondContact O-N 3.25Å; K416-K420 VanDerWaalsContact O-N 3.16Å
417C93.2Very high90.8Very high6 Ų679.9 Ų79.94%0.04142%0.415CS..Hα-helixtrans-66.5-42173.4-77.30000111.6L361 L365 T413 V414 Q415 K420 A421L361-C417 HydrophobicContact CD1-CB 4.26Å; L365-C417 HydrophobicContact CB-CB 4.05Å; L365-C417 HydrophobicContact CD1-CB 3.77Å; L365-C417 HydrophobicContact CG-CB 4.46Å; T413-C417 WeakPolarHBondContact O-CB 3.38Å; T413-C417 PolarHBondContact O-N 2.85Å; T413-C417 PolarHBondContact O-SG 3.1Å; T413-C417 VanDerWaalsContact O-SG 3.37Å; V414-C417 PolarHBondContact O-N 3.23Å; Q415-C417 VanDerWaalsContact C-N 3.34Å; Q415-C417 PolarHBondContact O-N 3.01Å; C417-K420 PolarHBondContact O-N 3.04Å; C417-A421 VanDerWaalsContact O-CB 3.28Å; C417-A421 WeakPolarHBondContact O-CB 3.4Å; C417-A421 PolarHBondContact O-N 3.32Å
418R93.6Very high90.5Very high47 Ų4782.7 Ų82.718%0.17743%0.431CS..Hα-helixtrans-65.2-43.9177-69.5178.979.798-1.8112.1L365 V414 Q415 K420 A421 G422 L423 P424L365-R418 HydrophobicContact CD1-CG 3.78Å; L365-R418 HydrophobicContact CD2-CG 4.32Å; V414-R418 WeakPolarHBondContact O-CG 3.46Å; V414-R418 PolarHBondContact O-N 3.29Å; Q415-R418 PolarHBondContact O-N 3.07Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.35Å; R418-A421 CarbonylContact O-C 3.48Å; R418-A421 PolarHBondContact O-N 3.24Å; R418-A421 VanDerWaalsContact O-N 3.16Å; R418-G422 PolarHBondContact O-N 3.4Å; R418-L423 HydrophobicContact CB-CB 4.11Å; R418-L423 HydrophobicContact CG-CB 4.33Å; R418-L423 HydrophobicContact CG-CD1 4.46Å; R418-L423 PolarHBondContact O-N 3.37Å; R418-P424 PolarHBondContact NE-O 3.09Å; R418-P424 PolarHBondContact NH2-O 3.1Å
419E92.4Very high90.1Very high112 Ų11279.3 Ų79.352%0.52342%0.419SS..Hα-helixtrans-56.7-46.9174.6-73.5171.8-170.700111.5Q415 A421 G422 L425Q415-E419 WeakPolarHBondContact O-CG 3.46Å; Q415-E419 PolarHBondContact O-N 2.75Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.01Å; E419-G422 PolarHBondContact O-N 2.78Å; E419-L425 HydrophobicContact CG-CD2 4.04Å
420K92.1Very high89.7Confident157 Ų15777.4 Ų77.468%0.68341%0.412SS*.Hα-helixtrans-68.8-29177.5-75.2-168.7175.1-169.80113.9L361 K416 C417 R418 G422L361-K420 HydrophobicContact CD1-CB 4.36Å; L361-K420 HydrophobicContact CD2-CB 3.97Å; K416-K420 WeakPolarHBondContact O-CG 3.15Å; K416-K420 PolarHBondContact O-N 3.25Å; K416-K420 VanDerWaalsContact O-N 3.16Å; C417-K420 PolarHBondContact O-N 3.04Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.35Å; K420-G422 VanDerWaalsContact C-N 3.32Å
421A89.5Confident89.3Confident24 Ų2481.3 Ų81.320%0.19843%0.432CS..Hα-helixtrans-83.2-7.6177.800000113.3L361 Y362 C417 R418 E419 L423L361-A421 HydrophobicContact CD2-CB 4.01Å; Y362-A421 HydrophobicContact CE1-CB 3.86Å; C417-A421 VanDerWaalsContact O-CB 3.28Å; C417-A421 WeakPolarHBondContact O-CB 3.4Å; C417-A421 PolarHBondContact O-N 3.32Å; R418-A421 CarbonylContact O-C 3.48Å; R418-A421 PolarHBondContact O-N 3.24Å; R418-A421 VanDerWaalsContact O-N 3.16Å; E419-A421 VanDerWaalsContact C-N 3.33Å; E419-A421 PolarHBondContact O-N 3.01Å; A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 HydrophobicContact CB-CD1 3.86Å; A421-L423 HydrophobicContact CB-CG 3.96Å; A421-L423 PolarHBondContact O-N 2.86Å
422G89.1Confident88.9Confident69 Ų6978.7 Ų78.771%0.71143%0.431SS*.THydrogen-bonded Turntrans70.124-174.100000113.6R418 E419 K420R418-G422 PolarHBondContact O-N 3.4Å; E419-G422 PolarHBondContact O-N 2.78Å; K420-G422 VanDerWaalsContact C-N 3.32Å
423L86.1Confident88.5Confident66 Ų6681.3 Ų81.335%0.34644%0.436SS..PPolyproline II helixtrans-88.5146.1177.7-66.9168.2000110.3L365 R418 A421L365-L423 HydrophobicContact CD2-CD1 3.79Å; R418-L423 HydrophobicContact CB-CB 4.11Å; R418-L423 HydrophobicContact CG-CB 4.33Å; R418-L423 HydrophobicContact CG-CD1 4.46Å; R418-L423 PolarHBondContact O-N 3.37Å; A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 HydrophobicContact CB-CD1 3.86Å; A421-L423 HydrophobicContact CB-CG 3.96Å; A421-L423 PolarHBondContact O-N 2.86Å
424P83.2Confident87.9Confident96 Ų9684.2 Ų84.262%0.62345%0.45SS*.PPolyproline II helixtrans-60.6144.1177.124.2-32.4000111R418R418-P424 PolarHBondContact NE-O 3.09Å; R418-P424 PolarHBondContact NH2-O 3.1Å
425L74.4Confident87.4Confident103 Ų10390.7 Ų90.754%0.53948%0.484SS..PPolyproline II helixtrans-64.1142.7172.7-63.6174.7000109.7Q415 E419Q415-L425 HydrophobicContact CG-CD2 3.9Å; E419-L425 HydrophobicContact CG-CD2 4.04Å
426L67.6Low86.8Confident177 Ų17790.1 Ų90.193%0.92749%0.486SS*.  trans-76.20177.8-77.4170.4000111.9F369F369-L426 HydrophobicContact CE2-CD1 4.41Å

Retrieved 426 of 426 residues in 354.2 ms (Link to these results)