G4VFT3_SCHMA Loading...

Putative 4.1 G protein

AlphaFold DB , UniProt , Accession G4VFT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 680 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.4Very low83Confident224 Ų22471.1 Ų71.1100%1.10337%0.371SS*.  0116.10-68.2-17817700107.4H3M1-H3 PolarHBondContact O-N 3.46Å; M1-H3 PolarHBondContact O-ND1 3.37Å; M1-H3 VanDerWaalsContact O-ND1 3.15Å
2S49.7Very low83.9Confident121 Ų12165.8 Ų65.885%0.84634%0.343SS*.  trans-60.9107.3168.2161.30000106.8G4S2-G4 PolarHBondContact O-N 3.42Å; S2-G4 VanDerWaalsContact O-N 3.12Å
3H66.4Low84.5Confident114 Ų11461.9 Ų61.953%0.52832%0.323SS..  trans-66.1114.9171.3-68.462.5000105.3M1 Y5M1-H3 PolarHBondContact O-N 3.46Å; M1-H3 PolarHBondContact O-ND1 3.37Å; M1-H3 VanDerWaalsContact O-ND1 3.15Å; H3-Y5 HydrophobicContact CB-CE2 4.16Å; H3-Y5 WeakPolarHBondContact O-CD2 3.42Å; H3-Y5 VanDerWaalsContact O-CE2 3.27Å; H3-Y5 WeakPolarHBondContact O-CE2 3.37Å; H3-Y5 PolarHBondContact O-N 3.32Å
4G89.5Confident84.5Confident22 Ų2260.5 Ų60.523%0.22731%0.314CS..  trans-58.5136.1174.200000108.4S2 E25S2-G4 PolarHBondContact O-N 3.42Å; S2-G4 VanDerWaalsContact O-N 3.12Å; G4-E25 WeakPolarHBondContact O-CB 3.47Å; G4-E25 WeakPolarHBondContact O-CG 3.29Å; G4-E25 PolarHBondContact O-N 3.08Å
5Y93.1Very high83.6Confident140 Ų14062.1 Ų62.155%0.54932%0.323SS..EExtended strand (participates in β ladder)trans-114.8149.5170.3-70-95.8000108.5H3 N22 V23 P24H3-Y5 HydrophobicContact CB-CE2 4.16Å; H3-Y5 WeakPolarHBondContact O-CD2 3.42Å; H3-Y5 VanDerWaalsContact O-CE2 3.27Å; H3-Y5 WeakPolarHBondContact O-CE2 3.37Å; H3-Y5 PolarHBondContact O-N 3.32Å; Y5-N22 HydrophobicContact CD1-CB 4.32Å; Y5-V23 CarbonylContact C-O 3.41Å; Y5-V23 VanDerWaalsContact CA-O 3.31Å; Y5-V23 WeakPolarHBondContact CA-O 3.35Å; Y5-P24 HydrophobicContact CD1-CB 4.47Å; Y5-P24 HydrophobicContact CD1-CG 4.22Å; Y5-P24 HydrophobicContact CE1-CB 4.24Å; Y5-P24 HydrophobicContact CE1-CG 3.75Å
6F93.8Very high82.8Confident10 Ų1066.6 Ų66.64%0.04434%0.342CS..EExtended strand (participates in β ladder)trans-132.4143.9170.370.5-80.5000110.4V8 V23 P24 E25 L73 L77F6-V8 HydrophobicContact CD2-CG2 3.76Å; F6-V8 HydrophobicContact CE2-CG2 3.35Å; F6-V8 HydrophobicContact CZ-CG2 4.26Å; F6-V23 HydrophobicContact CD1-CB 4.32Å; F6-V23 VanDerWaalsContact CD1-O 3.28Å; F6-V23 WeakPolarHBondContact CD1-O 3.41Å; F6-V23 HydrophobicContact CE1-CB 3.89Å; F6-V23 HydrophobicContact CE1-CG1 3.88Å; F6-V23 HydrophobicContact CE2-CB 4.37Å; F6-V23 HydrophobicContact CZ-CB 3.93Å; F6-V23 HydrophobicContact CZ-CG1 3.92Å; F6-V23 PolarHBondContact N-O 3.46Å; F6-V23 PolarHBondContact O-N 3.37Å; F6-P24 WeakPolarHBondContact CE1-O 3.24Å; F6-E25 HydrophobicContact CD1-CG 4.02Å; F6-L73 HydrophobicContact CE2-CD2 4.34Å; F6-L73 HydrophobicContact CE2-CG 4.41Å; F6-L73 HydrophobicContact CZ-CB 4.11Å; F6-L73 HydrophobicContact CZ-CD2 3.93Å; F6-L73 HydrophobicContact CZ-CG 3.92Å; F6-L77 HydrophobicContact CE2-CD1 4.38Å
7V94.6Very high82.5Confident59 Ų5972 Ų7236%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-82.7135.6-178.9-174.30000110.1E20V7-E20 HydrophobicContact CG1-CB 3.83Å; V7-E20 HydrophobicContact CG1-CG 4.15Å
8V96.4Very high82.9Confident0 Ų073.3 Ų73.30%037%0.369CS..EExtended strand (participates in β ladder)trans-123.1127.5170.8179.70000108.7F6 V10 I21 V23 L32 L73 L77 V85F6-V8 HydrophobicContact CD2-CG2 3.76Å; F6-V8 HydrophobicContact CE2-CG2 3.35Å; F6-V8 HydrophobicContact CZ-CG2 4.26Å; V8-V10 HydrophobicContact CG1-CG2 4.22Å; V8-I21 PolarHBondContact N-O 3.43Å; V8-I21 PolarHBondContact O-N 3.33Å; V8-V23 HydrophobicContact CB-CG2 4.14Å; V8-V23 HydrophobicContact CG2-CB 4.48Å; V8-V23 HydrophobicContact CG2-CG2 3.76Å; V8-L32 HydrophobicContact CB-CD2 4.5Å; V8-L32 HydrophobicContact CG1-CD2 4.03Å; V8-L73 HydrophobicContact CG2-CD2 4.27Å; V8-L77 HydrophobicContact CG1-CD1 4.26Å; V8-L77 HydrophobicContact CG2-CD1 3.97Å; V8-V85 HydrophobicContact CG1-CB 4.17Å; V8-V85 HydrophobicContact CG1-CG2 3.63Å
9S96.1Very high83.3Confident24 Ų2473.5 Ų73.517%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-88112.6175.2-47.90000109.4E19 R83 Q84 V85S9-E19 CarbonylContact C-O 3.54Å; S9-E19 WeakPolarHBondContact CA-O 3.44Å; S9-R83 PolarHBondContact N-O 2.86Å; S9-Q84 WeakPolarHBondContact O-CA 3.37Å; S9-V85 PolarHBondContact O-N 3.47Å
10V96.2Very high83.9Confident0 Ų077.3 Ų77.30%038%0.384CS..EExtended strand (participates in β ladder)trans-100.1122.2-179.6-174.80000109.8V8 L12 M18 E19 I21 L32 I36 L51 V85V8-V10 HydrophobicContact CG1-CG2 4.22Å; V10-L12 HydrophobicContact CG1-CD2 4.26Å; V10-M18 WeakPolarHBondContact O-CA 3.5Å; V10-E19 PolarHBondContact N-O 2.94Å; V10-E19 PolarHBondContact O-N 3.15Å; V10-I21 HydrophobicContact CG2-CD1 4.08Å; V10-I21 HydrophobicContact CG2-CG1 4.49Å; V10-L32 HydrophobicContact CG2-CD1 4.27Å; V10-L32 HydrophobicContact CG2-CD2 4.5Å; V10-I36 HydrophobicContact CB-CD1 4.27Å; V10-I36 HydrophobicContact CG1-CD1 3.86Å; V10-I36 HydrophobicContact CG1-CG1 4.27Å; V10-I36 HydrophobicContact CG2-CD1 4.27Å; V10-L51 HydrophobicContact CG1-CD2 4.38Å; V10-V85 CarbonylContact C-O 3.58Å; V10-V85 WeakPolarHBondContact CA-O 3.49Å
11R95.3Very high84.4Confident68 Ų6874.4 Ų74.426%0.25737%0.37SS..EExtended strand (participates in β ladder)trans-91.6114.2171.1-167176.4-162.3-171.3-0109.4E16 M18 V85 S86 F87R11-E16 IonicContact NH2-OE2 3.3Å; R11-M18 HydrophobicContact CB-CG 4.44Å; R11-V85 PolarHBondContact N-O 3.03Å; R11-S86 WeakPolarHBondContact O-CA 3.41Å; R11-F87 PolarHBondContact O-N 3.39Å
12L94Very high86.9Confident8 Ų868.7 Ų68.74%0.04234%0.344CS..  trans-74.9179.4176.9-62.7179.7000111.6V10 E19 I36 Q40 F87V10-L12 HydrophobicContact CG1-CD2 4.26Å; L12-E19 VanDerWaalsContact CD1-CD 3.48Å; L12-E19 HydrophobicContact CD1-CG 4.3Å; L12-E19 WeakPolarHBondContact CD1-OE1 3.35Å; L12-I36 HydrophobicContact CD2-CD1 4.45Å; L12-I36 HydrophobicContact CD2-CG2 4.29Å; L12-Q40 HydrophobicContact CD2-CG 4.47Å; L12-F87 HydrophobicContact CD2-CB 4.43Å
13L91.2Very high89.1Confident15 Ų1563 Ų638%0.07930%0.304CS..SBendtrans-87.7-39.7177.8-81.2167.8000112.5F87 V89 L108 H111 Q112L13-F87 HydrophobicContact CD1-CD1 3.83Å; L13-F87 HydrophobicContact CD1-CE1 4.11Å; L13-F87 HydrophobicContact CG-CD1 4.15Å; L13-V89 HydrophobicContact CD1-CG2 4.46Å; L13-L108 HydrophobicContact CB-CD2 3.91Å; L13-L108 HydrophobicContact CD1-CB 4.05Å; L13-L108 HydrophobicContact CD1-CD2 4.09Å; L13-H111 HydrophobicContact CB-CB 4.08Å; L13-Q112 HydrophobicContact CD2-CB 3.95Å
14E84.6Confident90.5Very high42 Ų4258.4 Ų58.420%0.19629%0.285CS..SBendtrans-75.5-45.9-170.7-48.9-178.1149.300110.5K104 Y107 L108E14-K104 WeakPolarHBondContact OE1-CE 3.45Å; E14-K104 IonicContact OE1-NZ 3.03Å; E14-K104 PolarHBondContact OE1-NZ 3.25Å; E14-K104 IonicContact OE2-NZ 2.88Å; E14-K104 PolarHBondContact OE2-NZ 3.43Å; E14-Y107 HydrophobicContact CB-CE1 4.46Å; E14-Y107 HydrophobicContact CG-CD1 4.41Å; E14-Y107 HydrophobicContact CG-CE1 3.83Å; E14-Y107 WeakPolarHBondContact OE1-CD1 3.29Å; E14-Y107 WeakPolarHBondContact OE1-CE1 3.46Å; E14-L108 HydrophobicContact CG-CD2 3.69Å; E14-L108 VanDerWaalsContact OE1-CD2 3.3Å; E14-L108 WeakPolarHBondContact OE1-CD2 3.4Å
15D70.7Confident90.6Very high85 Ų8562.4 Ų62.446%0.45530%0.298SS..  trans-106.4141.5180-66.7-25.6000111.2K17D15-K17 HydrophobicContact CB-CB 4.01Å; D15-K17 HydrophobicContact CB-CG 4.37Å; D15-K17 PolarHBondContact O-N 3.17Å
16E71.3Confident90.6Very high134 Ų13461 Ų6163%0.62630%0.299SS*.SBendtrans-69.2-11.1165.9-64.6-153.9167.200112.7R11R11-E16 IonicContact NH2-OE2 3.3Å
17K78.2Confident90.7Very high158 Ų15860.9 Ų60.969%0.68730%0.301SS*.  trans-64149.7177.4-64.7-179.7179.8173.20111D15D15-K17 HydrophobicContact CB-CB 4.01Å; D15-K17 HydrophobicContact CB-CG 4.37Å; D15-K17 PolarHBondContact O-N 3.17Å
18M88.8Confident90.8Very high96 Ų9660.7 Ų60.747%0.47330%0.299SS..EExtended strand (participates in β ladder)trans-105.2134.8173.2-57.2-166.4-158.300108.5V10 R11 Q84V10-M18 WeakPolarHBondContact O-CA 3.5Å; R11-M18 HydrophobicContact CB-CG 4.44Å; M18-Q84 HydrophobicContact SD-CG 4.04Å; M18-Q84 PolarHBondContact SD-NE2 2.92Å
19E91.4Very high90.7Very high76 Ų7660.7 Ų60.736%0.35530%0.299SS..EExtended strand (participates in β ladder)trans-101.1137.8172.5-66.4-177.5168.300109.3S9 V10 L12S9-E19 CarbonylContact C-O 3.54Å; S9-E19 WeakPolarHBondContact CA-O 3.44Å; V10-E19 PolarHBondContact N-O 2.94Å; V10-E19 PolarHBondContact O-N 3.15Å; L12-E19 VanDerWaalsContact CD1-CD 3.48Å; L12-E19 HydrophobicContact CD1-CG 4.3Å; L12-E19 WeakPolarHBondContact CD1-OE1 3.35Å
20E93.8Very high90.7Very high149 Ų14964.3 Ų64.370%0.69631%0.312SS*.EExtended strand (participates in β ladder)trans-97.1121.5177.2-67.2-168.716600109.9V7V7-E20 HydrophobicContact CG1-CB 3.83Å; V7-E20 HydrophobicContact CG1-CG 4.15Å
21I94.9Very high90.8Very high17 Ų1769 Ų699%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-115.3129.4179.6-60.5-177.1000109.3V8 V10 V23 W31 L32 I36V8-I21 PolarHBondContact N-O 3.43Å; V8-I21 PolarHBondContact O-N 3.33Å; V10-I21 HydrophobicContact CG2-CD1 4.08Å; V10-I21 HydrophobicContact CG2-CG1 4.49Å; I21-V23 HydrophobicContact CG2-CG2 4.2Å; I21-V23 PolarHBondContact O-N 3.36Å; I21-W31 HydrophobicContact CG2-CZ3 4.3Å; I21-L32 HydrophobicContact CB-CD1 4.25Å; I21-L32 HydrophobicContact CD1-CD1 4Å; I21-L32 HydrophobicContact CG2-CD1 3.96Å; I21-I36 HydrophobicContact CD1-CD1 3.28Å; I21-I36 HydrophobicContact CD1-CG1 4.18Å
22N94.9Very high90.9Very high105 Ų10565.7 Ų65.756%0.56132%0.318SS*.EExtended strand (participates in β ladder)trans-78111.6171.4-72.2-41.8000109.6Y5Y5-N22 HydrophobicContact CD1-CB 4.32Å
23V95.8Very high91Very high0 Ų065.8 Ų65.80%032%0.317CS..EExtended strand (participates in β ladder)trans-106129.8-178.3-172.30000110Y5 F6 V8 I21 A27 W31 L32 L73Y5-V23 CarbonylContact C-O 3.41Å; Y5-V23 VanDerWaalsContact CA-O 3.31Å; Y5-V23 WeakPolarHBondContact CA-O 3.35Å; F6-V23 HydrophobicContact CD1-CB 4.32Å; F6-V23 VanDerWaalsContact CD1-O 3.28Å; F6-V23 WeakPolarHBondContact CD1-O 3.41Å; F6-V23 HydrophobicContact CE1-CB 3.89Å; F6-V23 HydrophobicContact CE1-CG1 3.88Å; F6-V23 HydrophobicContact CE2-CB 4.37Å; F6-V23 HydrophobicContact CZ-CB 3.93Å; F6-V23 HydrophobicContact CZ-CG1 3.92Å; F6-V23 PolarHBondContact N-O 3.46Å; F6-V23 PolarHBondContact O-N 3.37Å; V8-V23 HydrophobicContact CB-CG2 4.14Å; V8-V23 HydrophobicContact CG2-CB 4.48Å; V8-V23 HydrophobicContact CG2-CG2 3.76Å; I21-V23 HydrophobicContact CG2-CG2 4.2Å; I21-V23 PolarHBondContact O-N 3.36Å; V23-A27 HydrophobicContact CG1-CB 3.69Å; V23-W31 HydrophobicContact CB-CZ3 4.22Å; V23-W31 HydrophobicContact CG1-CE3 3.87Å; V23-W31 HydrophobicContact CG1-CZ3 3.93Å; V23-W31 HydrophobicContact CG2-CZ3 4.07Å; V23-L32 HydrophobicContact CG2-CD1 4.1Å; V23-L73 HydrophobicContact CG1-CD2 3.95Å; V23-L73 HydrophobicContact CG2-CD2 4.31Å
24P95.3Very high91.3Very high18 Ų1867.4 Ų67.412%0.11733%0.325CS..EExtended strand (participates in β ladder)trans-57.3138.4170.6-2028.9000111.5Y5 F6 D26 A27 W31Y5-P24 HydrophobicContact CD1-CB 4.47Å; Y5-P24 HydrophobicContact CD1-CG 4.22Å; Y5-P24 HydrophobicContact CE1-CB 4.24Å; Y5-P24 HydrophobicContact CE1-CG 3.75Å; F6-P24 WeakPolarHBondContact CE1-O 3.24Å; P24-D26 VanDerWaalsContact CB-OD1 3.31Å; P24-D26 WeakPolarHBondContact CB-OD1 3.34Å; P24-D26 PolarHBondContact O-N 3.37Å; P24-A27 HydrophobicContact CB-CB 4.08Å; P24-A27 HydrophobicContact CG-CB 4.3Å; P24-A27 WeakPolarHBondContact O-CB 3.38Å; P24-A27 PolarHBondContact O-N 3.05Å; P24-W31 HydrophobicContact CG-CZ2 4.39Å
25E93Very high91.9Very high107 Ų10768.9 Ų68.950%0.533%0.332SS..THydrogen-bonded Turntrans-60.1-30.4-176.2-86.8-175.3-17900114.1G4 F6 N72 S74G4-E25 WeakPolarHBondContact O-CB 3.47Å; G4-E25 WeakPolarHBondContact O-CG 3.29Å; G4-E25 PolarHBondContact O-N 3.08Å; F6-E25 HydrophobicContact CD1-CG 4.02Å; E25-N72 PolarHBondContact O-ND2 3.43Å; E25-S74 PolarHBondContact O-OG 3.21Å; E25-S74 VanDerWaalsContact O-OG 3.11Å
26D93.3Very high93.1Very high109 Ų10964.8 Ų64.858%0.58331%0.31SS*.THydrogen-bonded Turntrans-84.2-12.8177.566.6-37.7000113.1P24 N72P24-D26 VanDerWaalsContact CB-OD1 3.31Å; P24-D26 WeakPolarHBondContact CB-OD1 3.34Å; P24-D26 PolarHBondContact O-N 3.37Å; D26-N72 VanDerWaalsContact C-ND2 3.31Å; D26-N72 WeakPolarHBondContact CA-ND2 3.19Å; D26-N72 PolarHBondContact O-ND2 3.47Å
27A95.4Very high94.3Very high9 Ų958.4 Ų58.47%0.07428%0.28CS..  trans-58.8141.8-176.100000112.6V23 P24 W31 N72 L73V23-A27 HydrophobicContact CG1-CB 3.69Å; P24-A27 HydrophobicContact CB-CB 4.08Å; P24-A27 HydrophobicContact CG-CB 4.3Å; P24-A27 WeakPolarHBondContact O-CB 3.38Å; P24-A27 PolarHBondContact O-N 3.05Å; A27-W31 HydrophobicContact CB-CB 4.09Å; A27-W31 HydrophobicContact CB-CD2 4.31Å; A27-W31 HydrophobicContact CB-CE3 4.36Å; A27-W31 HydrophobicContact CB-CG 4.2Å; A27-N72 PolarHBondContact O-ND2 2.93Å; A27-L73 PolarHBondContact O-N 3.48Å
28T96.1Very high95.2Very high54 Ų5454.9 Ų54.933%0.33127%0.274SS..BIsolated β-bridgetrans-83.2163.117361.90000110.9K30 W31 L69 R71T28-K30 PolarHBondContact O-N 2.99Å; T28-K30 VanDerWaalsContact O-N 3.11Å; T28-W31 WeakPolarHBondContact O-CB 3.47Å; T28-W31 PolarHBondContact O-N 3.22Å; T28-L69 WeakPolarHBondContact CB-O 3.48Å; T28-R71 CarbonylContact C-O 3.6Å; T28-R71 WeakPolarHBondContact CA-O 3.3Å
29G95.5Very high95.4Very high0 Ų054.7 Ų54.70%027%0.272CS..Hα-helixtrans-56.2-26171.900000113.5F33 R71G29-F33 VanDerWaalsContact O-CB 3.31Å; G29-F33 WeakPolarHBondContact O-CB 3.23Å; G29-F33 PolarHBondContact O-N 2.9Å; G29-R71 PolarHBondContact N-O 2.78Å
30K96.1Very high95.4Very high100 Ų10051.6 Ų51.644%0.43526%0.258SS..Hα-helixtrans-62-41.9174.9-175.4-177.9172.1-166.50112.2T28 F33 E34 L69T28-K30 PolarHBondContact O-N 2.99Å; T28-K30 VanDerWaalsContact O-N 3.11Å; K30-F33 PolarHBondContact O-N 2.87Å; K30-E34 WeakPolarHBondContact CE-OE1 3.15Å; K30-E34 WeakPolarHBondContact CE-OE2 3.05Å; K30-E34 HydrophobicContact CG-CG 4.17Å; K30-E34 IonicContact NZ-OE1 2.71Å; K30-E34 IonicContact NZ-OE2 3.74Å; K30-E34 PolarHBondContact O-N 3.34Å; K30-L69 HydrophobicContact CB-CB 4.07Å; K30-L69 VanDerWaalsContact CB-O 3.26Å; K30-L69 WeakPolarHBondContact CB-O 3.19Å; K30-L69 PolarHBondContact N-O 3.4Å
31W96.9Very high95.4Very high98 Ų9846.5 Ų46.537%0.37125%0.245SC..Hα-helixtrans-59.9-54.9-176.8-177.690.2000111.1I21 V23 P24 A27 T28 F33 E34 E35I21-W31 HydrophobicContact CG2-CZ3 4.3Å; V23-W31 HydrophobicContact CB-CZ3 4.22Å; V23-W31 HydrophobicContact CG1-CE3 3.87Å; V23-W31 HydrophobicContact CG1-CZ3 3.93Å; V23-W31 HydrophobicContact CG2-CZ3 4.07Å; P24-W31 HydrophobicContact CG-CZ2 4.39Å; A27-W31 HydrophobicContact CB-CB 4.09Å; A27-W31 HydrophobicContact CB-CD2 4.31Å; A27-W31 HydrophobicContact CB-CE3 4.36Å; A27-W31 HydrophobicContact CB-CG 4.2Å; T28-W31 WeakPolarHBondContact O-CB 3.47Å; T28-W31 PolarHBondContact O-N 3.22Å; W31-F33 VanDerWaalsContact C-N 3.25Å; W31-F33 PolarHBondContact O-N 3.31Å; W31-E34 PolarHBondContact O-N 3.44Å; W31-E35 WeakPolarHBondContact O-CB 3.22Å; W31-E35 PolarHBondContact O-N 2.86Å
32L97.3Very high95.4Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-61.1-38178.2178.263.4000111.4V8 V10 I21 V23 I36 L51 L73V8-L32 HydrophobicContact CB-CD2 4.5Å; V8-L32 HydrophobicContact CG1-CD2 4.03Å; V10-L32 HydrophobicContact CG2-CD1 4.27Å; V10-L32 HydrophobicContact CG2-CD2 4.5Å; I21-L32 HydrophobicContact CB-CD1 4.25Å; I21-L32 HydrophobicContact CD1-CD1 4Å; I21-L32 HydrophobicContact CG2-CD1 3.96Å; V23-L32 HydrophobicContact CG2-CD1 4.1Å; L32-I36 HydrophobicContact CD1-CG1 4.33Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.31Å; L32-I36 VanDerWaalsContact O-N 3.1Å; L32-L51 HydrophobicContact CB-CD1 4.38Å; L32-L51 HydrophobicContact CD2-CD1 4Å; L32-L51 HydrophobicContact CG-CD1 3.83Å; L32-L73 HydrophobicContact CB-CD2 4.02Å; L32-L73 HydrophobicContact CD2-CD2 3.53Å; L32-L73 HydrophobicContact CG-CD2 4.4Å
33F97.7Very high95.4Very high9 Ų943.1 Ų43.14%0.03923%0.226CC..Hα-helixtrans-66.2-44.7179.3178.2-119.2000113.2G29 K30 W31 C37 R46 F49 L51 L69 F87G29-F33 VanDerWaalsContact O-CB 3.31Å; G29-F33 WeakPolarHBondContact O-CB 3.23Å; G29-F33 PolarHBondContact O-N 2.9Å; K30-F33 PolarHBondContact O-N 2.87Å; W31-F33 VanDerWaalsContact C-N 3.25Å; W31-F33 PolarHBondContact O-N 3.31Å; F33-C37 WeakPolarHBondContact CE2-SG 3.24Å; F33-C37 WeakPolarHBondContact O-CB 3.34Å; F33-C37 PolarHBondContact O-N 2.83Å; F33-C37 PolarHBondContact O-SG 3.46Å; F33-R46 HydrophobicContact CE1-CB 4.13Å; F33-R46 HydrophobicContact CE1-CG 4.34Å; F33-R46 HydrophobicContact CZ-CB 4.13Å; F33-R46 VanDerWaalsContact CZ-O 3.3Å; F33-R46 WeakPolarHBondContact CZ-O 3.45Å; F33-F49 HydrophobicContact CE2-CB 4.26Å; F33-F49 HydrophobicContact CZ-CB 4.45Å; F33-L51 HydrophobicContact CB-CD1 3.96Å; F33-L51 HydrophobicContact CD2-CD1 4.27Å; F33-L51 HydrophobicContact CD2-CG 4.01Å; F33-L69 HydrophobicContact CB-CD2 3.67Å; F33-L69 HydrophobicContact CD1-CD1 3.96Å; F33-L69 HydrophobicContact CD1-CD2 3.76Å; F33-L69 HydrophobicContact CE1-CD1 4.18Å; F33-L69 HydrophobicContact CG-CD2 3.79Å; F33-F87 HydrophobicContact CE2-CE2 4.17Å
34E97.1Very high95.3Very high49 Ų4946.9 Ų46.923%0.22924%0.244CC..Hα-helixtrans-69.1-36.9178.2-73.5-174.6154.200111.7K30 W31 C37 C38 M43 R46K30-E34 WeakPolarHBondContact CE-OE1 3.15Å; K30-E34 WeakPolarHBondContact CE-OE2 3.05Å; K30-E34 HydrophobicContact CG-CG 4.17Å; K30-E34 IonicContact NZ-OE1 2.71Å; K30-E34 IonicContact NZ-OE2 3.74Å; K30-E34 PolarHBondContact O-N 3.34Å; W31-E34 PolarHBondContact O-N 3.44Å; E34-C37 PolarHBondContact O-N 3.48Å; E34-C38 WeakPolarHBondContact O-CB 3.23Å; E34-C38 PolarHBondContact O-N 2.83Å; E34-M43 HydrophobicContact CB-CE 4.3Å; E34-M43 HydrophobicContact CB-SD 4.39Å; E34-M43 HydrophobicContact CG-CE 4.29Å; E34-M43 HydrophobicContact CG-SD 4.5Å; E34-R46 IonicContact OE1-CZ 2.89Å; E34-R46 IonicContact OE1-NH1 3.31Å; E34-R46 PolarHBondContact OE1-NH1 2.62Å
35E96.4Very high95.2Very high73 Ų7346.3 Ų46.334%0.34124%0.239SC..Hα-helixtrans-57-52.4173-175.356.6-145.300111W31 C37 C38 Q39W31-E35 WeakPolarHBondContact O-CB 3.22Å; W31-E35 PolarHBondContact O-N 2.86Å; E35-C37 PolarHBondContact O-N 2.83Å; E35-C38 WeakPolarHBondContact O-CB 3.34Å; E35-C38 PolarHBondContact O-N 3.43Å; E35-Q39 WeakPolarHBondContact O-CG 3.32Å; E35-Q39 PolarHBondContact O-N 3.43Å; E35-Q39 PolarHBondContact OE1-NE2 3.43Å
36I96.3Very high95.4Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-61.6-43.4176.1-66.2-63.3000111.7V10 L12 I21 L32 C38 Q39 Q40 F87V10-I36 HydrophobicContact CB-CD1 4.27Å; V10-I36 HydrophobicContact CG1-CD1 3.86Å; V10-I36 HydrophobicContact CG1-CG1 4.27Å; V10-I36 HydrophobicContact CG2-CD1 4.27Å; L12-I36 HydrophobicContact CD2-CD1 4.45Å; L12-I36 HydrophobicContact CD2-CG2 4.29Å; I21-I36 HydrophobicContact CD1-CD1 3.28Å; I21-I36 HydrophobicContact CD1-CG1 4.18Å; L32-I36 HydrophobicContact CD1-CG1 4.33Å; L32-I36 VanDerWaalsContact O-CG1 3.3Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.31Å; L32-I36 VanDerWaalsContact O-N 3.1Å; I36-C38 VanDerWaalsContact C-N 3.25Å; I36-C38 PolarHBondContact O-N 2.82Å; I36-Q39 PolarHBondContact O-N 2.89Å; I36-Q40 HydrophobicContact CG2-CG 4.08Å; I36-Q40 VanDerWaalsContact O-CB 3.27Å; I36-Q40 WeakPolarHBondContact O-CB 3.37Å; I36-Q40 WeakPolarHBondContact O-CG 3.49Å; I36-Q40 PolarHBondContact O-N 2.81Å; I36-F87 HydrophobicContact CG2-CB 4.42Å; I36-F87 HydrophobicContact CG2-CD2 3.57Å; I36-F87 HydrophobicContact CG2-CE2 3.86Å; I36-F87 HydrophobicContact CG2-CG 3.97Å; I36-F87 HydrophobicContact CG2-CZ 4.47Å
37C96.6Very high95.5Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-65.3-30.6179.5-69.80000112.8F33 E34 E35 G41 V42 M43 R46F33-C37 WeakPolarHBondContact CE2-SG 3.24Å; F33-C37 WeakPolarHBondContact O-CB 3.34Å; F33-C37 PolarHBondContact O-N 2.83Å; F33-C37 PolarHBondContact O-SG 3.46Å; E34-C37 PolarHBondContact O-N 3.48Å; E35-C37 PolarHBondContact O-N 2.83Å; C37-G41 PolarHBondContact O-N 3.33Å; C37-G41 VanDerWaalsContact O-N 3.14Å; C37-V42 HydrophobicContact CB-CG2 4.24Å; C37-V42 PolarHBondContact O-N 3.41Å; C37-M43 HydrophobicContact CB-CG 4.19Å; C37-M43 HydrophobicContact CB-SD 3.55Å; C37-M43 VanDerWaalsContact CB-SD 3.55Å; C37-R46 HydrophobicContact CB-CB 4.19Å
38C96Very high95.6Very high83 Ų8339.2 Ų39.256%0.56120%0.199SC*.Hα-helixtrans-68-51.9174.4-167.60000110.6E34 E35 I36 Q40 G41 M43E34-C38 WeakPolarHBondContact O-CB 3.23Å; E34-C38 PolarHBondContact O-N 2.83Å; E35-C38 WeakPolarHBondContact O-CB 3.34Å; E35-C38 PolarHBondContact O-N 3.43Å; I36-C38 VanDerWaalsContact C-N 3.25Å; I36-C38 PolarHBondContact O-N 2.82Å; C38-Q40 PolarHBondContact O-N 3.05Å; C38-G41 PolarHBondContact O-N 3.07Å; C38-M43 HydrophobicContact CB-CG 4.26Å
39Q93Very high95.7Very high92 Ų9236.9 Ų36.943%0.4318%0.184SC..Hα-helixtrans-58.3-38176.4-66.7172.99.100112.1E35 I36 G41E35-Q39 WeakPolarHBondContact O-CG 3.32Å; E35-Q39 PolarHBondContact O-N 3.43Å; E35-Q39 PolarHBondContact OE1-NE2 3.43Å; I36-Q39 PolarHBondContact O-N 2.89Å; Q39-G41 VanDerWaalsContact C-N 3.3Å; Q39-G41 PolarHBondContact O-N 2.93Å
40Q93.2Very high95.8Very high11 Ų1137.2 Ų37.25%0.05119%0.187CC..THydrogen-bonded Turntrans-81.2-3.1177.8-65.5-61.9-49.300113.7L12 I36 C38 V42 F87 K104L12-Q40 HydrophobicContact CD2-CG 4.47Å; I36-Q40 HydrophobicContact CG2-CG 4.08Å; I36-Q40 VanDerWaalsContact O-CB 3.27Å; I36-Q40 WeakPolarHBondContact O-CB 3.37Å; I36-Q40 WeakPolarHBondContact O-CG 3.49Å; I36-Q40 PolarHBondContact O-N 2.81Å; C38-Q40 PolarHBondContact O-N 3.05Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 HydrophobicContact CB-CG2 4.01Å; Q40-V42 PolarHBondContact O-N 3.03Å; Q40-F87 HydrophobicContact CG-CE1 4.27Å; Q40-K104 WeakPolarHBondContact O-CE 3.4Å; Q40-K104 WeakPolarHBondContact O-CG 3.18Å
41G93.2Very high95.8Very high42 Ų4232.6 Ų32.643%0.43317%0.167SC..THydrogen-bonded Turntrans65.427.8177.500000115.1C37 C38 Q39C37-G41 PolarHBondContact O-N 3.33Å; C37-G41 VanDerWaalsContact O-N 3.14Å; C38-G41 PolarHBondContact O-N 3.07Å; Q39-G41 VanDerWaalsContact C-N 3.3Å; Q39-G41 PolarHBondContact O-N 2.93Å
42V95.1Very high95.8Very high0 Ų029.1 Ų29.10%015%0.154CC..  trans-120.219.4-175.1-66.80000114.1C37 Q40 Q44 E45 R46 F49 F87 K104 L108C37-V42 HydrophobicContact CB-CG2 4.24Å; C37-V42 PolarHBondContact O-N 3.41Å; Q40-V42 VanDerWaalsContact C-N 3.32Å; Q40-V42 HydrophobicContact CB-CG2 4.01Å; Q40-V42 PolarHBondContact O-N 3.03Å; V42-Q44 PolarHBondContact O-N 3.49Å; V42-Q44 VanDerWaalsContact O-N 3.1Å; V42-E45 CarbonylContact O-C 3.58Å; V42-E45 PolarHBondContact O-N 3.38Å; V42-R46 WeakPolarHBondContact O-CA 3.38Å; V42-R46 PolarHBondContact O-N 2.9Å; V42-F49 HydrophobicContact CB-CD2 4.3Å; V42-F49 HydrophobicContact CB-CE2 3.85Å; V42-F49 HydrophobicContact CB-CZ 4.48Å; V42-F49 HydrophobicContact CG1-CE2 4.04Å; V42-F49 HydrophobicContact CG1-CZ 4.2Å; V42-F49 HydrophobicContact CG2-CD2 4.01Å; V42-F49 HydrophobicContact CG2-CE2 3.98Å; V42-F87 HydrophobicContact CG2-CZ 4.25Å; V42-K104 HydrophobicContact CG1-CB 4.31Å; V42-K104 HydrophobicContact CG1-CG 3.93Å; V42-L108 HydrophobicContact CG1-CD1 3.64Å; V42-L108 HydrophobicContact CG2-CD1 4.46Å
43M94.6Very high95.6Very high52 Ų5229.6 Ų29.626%0.25616%0.156SC..THydrogen-bonded Turntrans-54.8-32.9-176.3-82-66.1-83.300114.5E34 C37 C38 E45E34-M43 HydrophobicContact CB-CE 4.3Å; E34-M43 HydrophobicContact CB-SD 4.39Å; E34-M43 HydrophobicContact CG-CE 4.29Å; E34-M43 HydrophobicContact CG-SD 4.5Å; C37-M43 HydrophobicContact CB-CG 4.19Å; C37-M43 HydrophobicContact CB-SD 3.55Å; C37-M43 VanDerWaalsContact CB-SD 3.55Å; C38-M43 HydrophobicContact CB-CG 4.26Å; M43-E45 VanDerWaalsContact C-N 3.3Å; M43-E45 PolarHBondContact O-N 3.43Å
44Q92.7Very high95.4Very high79 Ų7932.8 Ų32.837%0.36917%0.173SC..THydrogen-bonded Turntrans-71.1-26.3-179.8-62.773.614.300112.5V42 L102 R333V42-Q44 PolarHBondContact O-N 3.49Å; V42-Q44 VanDerWaalsContact O-N 3.1Å; Q44-L102 HydrophobicContact CB-CD1 4.31Å; Q44-R333 PolarHBondContact O-NH1 2.71Å; Q44-R333 PolarHBondContact O-NH2 2.98Å
45E94.9Very high94.9Very high5 Ų531.7 Ų31.72%0.02317%0.168CC..THydrogen-bonded Turntrans-121.614-174.4-65.7179.5169.600112.7V42 M43 E47 Y48 R101 L102 S105 V338V42-E45 CarbonylContact O-C 3.58Å; V42-E45 PolarHBondContact O-N 3.38Å; M43-E45 VanDerWaalsContact C-N 3.3Å; M43-E45 PolarHBondContact O-N 3.43Å; E45-E47 PolarHBondContact O-N 2.84Å; E45-Y48 HydrophobicContact CB-CD2 4.24Å; E45-Y48 PolarHBondContact O-N 2.77Å; E45-R101 WeakPolarHBondContact OE1-CA 3.32Å; E45-R101 WeakPolarHBondContact OE1-CB 3.48Å; E45-R101 PolarHBondContact OE1-N 2.74Å; E45-L102 HydrophobicContact CB-CD1 4.41Å; E45-L102 HydrophobicContact CG-CD1 4.14Å; E45-L102 HydrophobicContact CG-CG 4.33Å; E45-L102 PolarHBondContact OE1-N 2.7Å; E45-L102 PolarHBondContact OE2-N 3.22Å; E45-S105 WeakPolarHBondContact OE2-CB 3.48Å; E45-S105 PolarHBondContact OE2-OG 3.39Å; E45-V338 HydrophobicContact CG-CG1 4.42Å
46R95.9Very high94.2Very high57 Ų5732.4 Ų32.422%0.21517%0.171CC..G310 helixtrans-50.2-30.7-175.565.9-174.7175.3-152.11.8113.8F33 E34 C37 V42 Y48 F49F33-R46 HydrophobicContact CE1-CB 4.13Å; F33-R46 HydrophobicContact CE1-CG 4.34Å; F33-R46 HydrophobicContact CZ-CB 4.13Å; F33-R46 VanDerWaalsContact CZ-O 3.3Å; F33-R46 WeakPolarHBondContact CZ-O 3.45Å; E34-R46 IonicContact OE1-CZ 2.89Å; E34-R46 IonicContact OE1-NH1 3.31Å; E34-R46 PolarHBondContact OE1-NH1 2.62Å; C37-R46 HydrophobicContact CB-CB 4.19Å; V42-R46 WeakPolarHBondContact O-CA 3.38Å; V42-R46 PolarHBondContact O-N 2.9Å; R46-Y48 PolarHBondContact O-N 2.69Å; R46-Y48 VanDerWaalsContact O-N 3.13Å; R46-F49 WeakPolarHBondContact O-CA 3.43Å; R46-F49 PolarHBondContact O-N 2.83Å
47E96.2Very high93.1Very high17 Ų1737.5 Ų37.58%0.07920%0.195CC..G310 helixtrans-60.8-22.6-179.8-69.675.5-171.600113.2E45 F49 H91 F303 R333 V338E45-E47 PolarHBondContact O-N 2.84Å; E47-F49 PolarHBondContact O-N 3.01Å; E47-H91 PolarHBondContact O-CE1 3.14Å; E47-H91 PolarHBondContact O-ND1 3.21Å; E47-F303 HydrophobicContact CB-CD2 4.5Å; E47-F303 HydrophobicContact CB-CE2 3.79Å; E47-R333 VanDerWaalsContact CD-NE 3.3Å; E47-R333 VanDerWaalsContact CD-NH2 3.3Å; E47-R333 HydrophobicContact CG-CB 4.01Å; E47-R333 IonicContact OE1-CZ 3.86Å; E47-R333 IonicContact OE1-NE 3.48Å; E47-R333 PolarHBondContact OE1-NE 2.91Å; E47-R333 IonicContact OE1-NH2 2.62Å; E47-R333 PolarHBondContact OE1-NH2 3.23Å; E47-R333 IonicContact OE2-CZ 3.82Å; E47-R333 VanDerWaalsContact OE2-CZ 3.24Å; E47-R333 IonicContact OE2-NE 3.42Å; E47-R333 PolarHBondContact OE2-NE 2.89Å; E47-R333 IonicContact OE2-NH2 3.88Å; E47-R333 PolarHBondContact OE2-NH2 3.42Å; E47-V338 HydrophobicContact CB-CG2 3.98Å; E47-V338 HydrophobicContact CG-CG2 4.15Å
48Y97.6Very high91.6Very high2 Ų245.9 Ų45.91%0.00824%0.236CC..G310 helixtrans-72.2-17.3172-71-75.3000113.4E45 R46 V89 K90 H91 P93 D99 L100 F303 V338E45-Y48 HydrophobicContact CB-CD2 4.24Å; E45-Y48 PolarHBondContact O-N 2.77Å; R46-Y48 PolarHBondContact O-N 2.69Å; R46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-V89 CarbonylContact O-C 3.6Å; Y48-K90 PolarHBondContact O-N 3.1Å; Y48-H91 HydrophobicContact CD1-CB 4Å; Y48-H91 VanDerWaalsContact CD1-O 3.31Å; Y48-H91 WeakPolarHBondContact CD1-O 3.23Å; Y48-H91 PolarHBondContact O-N 3.16Å; Y48-P93 HydrophobicContact CE1-CB 4.19Å; Y48-D99 WeakPolarHBondContact OH-CB 3.42Å; Y48-D99 PolarHBondContact OH-O 2.99Å; Y48-L100 HydrophobicContact CD1-CD2 4.38Å; Y48-L100 HydrophobicContact CD2-CD2 3.57Å; Y48-L100 HydrophobicContact CE2-CD2 3.75Å; Y48-L100 HydrophobicContact CG-CD2 3.91Å; Y48-F303 HydrophobicContact CD1-CE1 4.09Å; Y48-F303 AromaticContact CD1-CZ 3.89Å; Y48-F303 HydrophobicContact CD1-CZ 3.89Å; Y48-F303 AromaticContact CE1-CE1 3.71Å; Y48-F303 HydrophobicContact CE1-CE1 3.71Å; Y48-F303 AromaticContact CE1-CZ 3.58Å; Y48-F303 HydrophobicContact CE1-CZ 3.58Å; Y48-F303 HydrophobicContact CE2-CZ 4.45Å; Y48-F303 HydrophobicContact CG-CZ 4.43Å; Y48-F303 AromaticContact CZ-CZ 3.89Å; Y48-V338 HydrophobicContact CD2-CG1 4.3Å; Y48-V338 HydrophobicContact CE2-CB 4.49Å; Y48-V338 HydrophobicContact CE2-CG1 3.72Å
49F97.8Very high90.3Very high6 Ų650.5 Ų50.53%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-106.4167.9-175.8-56.4-83.7000112.3F33 V42 R46 E47 F87 R88 V89 L108F33-F49 HydrophobicContact CE2-CB 4.26Å; F33-F49 HydrophobicContact CZ-CB 4.45Å; V42-F49 HydrophobicContact CB-CD2 4.3Å; V42-F49 HydrophobicContact CB-CE2 3.85Å; V42-F49 HydrophobicContact CB-CZ 4.48Å; V42-F49 HydrophobicContact CG1-CE2 4.04Å; V42-F49 HydrophobicContact CG1-CZ 4.2Å; V42-F49 HydrophobicContact CG2-CD2 4.01Å; V42-F49 HydrophobicContact CG2-CE2 3.98Å; R46-F49 WeakPolarHBondContact O-CA 3.43Å; R46-F49 PolarHBondContact O-N 2.83Å; E47-F49 PolarHBondContact O-N 3.01Å; F49-F87 HydrophobicContact CB-CE1 4.38Å; F49-F87 HydrophobicContact CB-CE2 3.6Å; F49-F87 HydrophobicContact CB-CZ 3.46Å; F49-F87 VanDerWaalsContact CB-CZ 3.46Å; F49-F87 AromaticContact CD1-CE1 3.67Å; F49-F87 HydrophobicContact CD1-CE1 3.67Å; F49-F87 HydrophobicContact CD1-CE2 4.42Å; F49-F87 AromaticContact CD1-CZ 3.53Å; F49-F87 HydrophobicContact CD1-CZ 3.53Å; F49-F87 HydrophobicContact CD2-CZ 4.34Å; F49-F87 HydrophobicContact CE1-CE1 4.25Å; F49-F87 HydrophobicContact CE1-CZ 4.38Å; F49-F87 HydrophobicContact CG-CE1 4.15Å; F49-F87 HydrophobicContact CG-CE2 4.19Å; F49-F87 AromaticContact CG-CZ 3.51Å; F49-F87 HydrophobicContact CG-CZ 3.51Å; F49-R88 CarbonylContact C-O 3.53Å; F49-R88 WeakPolarHBondContact CA-O 3.44Å; F49-V89 HydrophobicContact CD1-CG2 4.28Å; F49-V89 HydrophobicContact CE1-CG2 4.08Å; F49-L108 HydrophobicContact CE1-CB 3.81Å; F49-L108 HydrophobicContact CE1-CD1 3.87Å; F49-L108 HydrophobicContact CZ-CB 4.21Å; F49-L108 HydrophobicContact CZ-CD1 3.94Å
50G96.8Very high89.1Confident6 Ų647.8 Ų47.86%0.06225%0.245CC..EExtended strand (participates in β ladder)trans-166.4164.4175.700000112.3R88G50-R88 PolarHBondContact N-O 3.29Å; G50-R88 PolarHBondContact O-N 3.08Å
51L97.4Very high88.3Confident4 Ų451.4 Ų51.42%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-103.7129.3174.1-70.2175000110V10 L32 F33 W66 I67 V85 S86 F87V10-L51 HydrophobicContact CG1-CD2 4.38Å; L32-L51 HydrophobicContact CB-CD1 4.38Å; L32-L51 HydrophobicContact CD2-CD1 4Å; L32-L51 HydrophobicContact CG-CD1 3.83Å; F33-L51 HydrophobicContact CB-CD1 3.96Å; F33-L51 HydrophobicContact CD2-CD1 4.27Å; F33-L51 HydrophobicContact CD2-CG 4.01Å; L51-W66 CarbonylContact O-C 3.56Å; L51-W66 WeakPolarHBondContact O-CA 3.4Å; L51-I67 HydrophobicContact CB-CB 4.1Å; L51-I67 HydrophobicContact CB-CD1 3.57Å; L51-I67 HydrophobicContact CB-CG1 3.91Å; L51-I67 HydrophobicContact CD1-CD1 4.04Å; L51-I67 HydrophobicContact CG-CD1 4.45Å; L51-I67 PolarHBondContact O-N 2.88Å; L51-V85 HydrophobicContact CB-CG1 3.56Å; L51-V85 HydrophobicContact CD1-CG1 4.33Å; L51-V85 HydrophobicContact CD2-CG1 3.76Å; L51-V85 HydrophobicContact CG-CG1 4.06Å; L51-S86 CarbonylContact C-O 3.48Å; L51-S86 WeakPolarHBondContact CA-O 3.44Å; L51-F87 HydrophobicContact CD2-CB 4.13Å; L51-F87 HydrophobicContact CD2-CD2 3.93Å
52R95.3Very high87.7Confident24 Ų2453 Ų539%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-122.4136.7-177.5-166.1-177.968.7-178.6-5.5111R65 W66 V85 S86 R88 D211R52-R65 CarbonylContact C-O 3.52Å; R52-R65 VanDerWaalsContact CA-O 3.26Å; R52-R65 WeakPolarHBondContact CA-O 3.18Å; R52-R65 WeakPolarHBondContact CG-O 3.45Å; R52-W66 HydrophobicContact CB-CD2 4.4Å; R52-W66 HydrophobicContact CB-CE3 3.81Å; R52-W66 HydrophobicContact CB-CH2 4.46Å; R52-W66 HydrophobicContact CB-CZ3 3.85Å; R52-W66 HydrophobicContact CG-CD2 4.47Å; R52-W66 HydrophobicContact CG-CE3 4.36Å; R52-V85 CarbonylContact O-C 3.56Å; R52-S86 PolarHBondContact N-O 3.18Å; R52-S86 PolarHBondContact O-N 3.44Å; R52-R88 HydrophobicContact CB-CG 4.36Å; R52-D211 IonicContact NH1-OD2 3.24Å; R52-D211 PolarHBondContact NH1-OD2 3.46Å
53Y95.1Very high87.3Confident10 Ų1053.3 Ų53.34%0.03928%0.277CS..EExtended strand (participates in β ladder)trans-125.8165172.768.6-80000110.9E55 R65 I67 L77 T80 Q84Y53-E55 HydrophobicContact CD2-CB 4.38Å; Y53-E55 HydrophobicContact CE2-CB 3.85Å; Y53-E55 HydrophobicContact CE2-CG 4.4Å; Y53-R65 HydrophobicContact CD1-CB 4.3Å; Y53-R65 HydrophobicContact CE1-CB 3.75Å; Y53-R65 HydrophobicContact CE2-CB 4.29Å; Y53-R65 PolarHBondContact N-O 3Å; Y53-R65 PolarHBondContact O-N 2.98Å; Y53-I67 HydrophobicContact CD1-CG1 3.78Å; Y53-I67 HydrophobicContact CE1-CG1 4.15Å; Y53-L77 HydrophobicContact CD1-CD2 4.15Å; Y53-L77 HydrophobicContact CD2-CD2 3.86Å; Y53-L77 HydrophobicContact CE2-CD2 4.31Å; Y53-L77 HydrophobicContact CG-CD2 3.76Å; Y53-T80 HydrophobicContact CD2-CG2 4.32Å; Y53-Q84 WeakPolarHBondContact CB-O 3.39Å
54L92Very high87.2Confident77 Ų7754 Ų5440%0.40328%0.279SS..EExtended strand (participates in β ladder)trans-97.9117.7169.5-66177000107.8H56 K64 T80L54-H56 PolarHBondContact O-CD2 2.97Å; L54-K64 HydrophobicContact CD2-CB 4.34Å; L54-K64 HydrophobicContact CD2-CG 3.56Å; L54-T80 WeakPolarHBondContact O-CG2 3.26Å
55E87.5Confident87.2Confident26 Ų2652.4 Ų52.412%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-84.4125.2173.2-173.7-173.2-142.300109.3Y53 P62 T63 R65Y53-E55 HydrophobicContact CD2-CB 4.38Å; Y53-E55 HydrophobicContact CE2-CB 3.85Å; Y53-E55 HydrophobicContact CE2-CG 4.4Å; E55-P62 WeakPolarHBondContact O-CA 3.4Å; E55-T63 PolarHBondContact N-O 3.48Å; E55-T63 PolarHBondContact O-N 3.45Å; E55-R65 IonicContact OE1-CZ 3.5Å; E55-R65 VanDerWaalsContact OE1-CZ 3.3Å; E55-R65 IonicContact OE1-NH1 3.57Å; E55-R65 PolarHBondContact OE1-NH1 3.4Å; E55-R65 IonicContact OE1-NH2 2.73Å; E55-R65 IonicContact OE2-CZ 2.64Å; E55-R65 IonicContact OE2-NE 2.8Å; E55-R65 PolarHBondContact OE2-NE 2.81Å; E55-R65 VanDerWaalsContact OE2-NE 3.1Å; E55-R65 IonicContact OE2-NH1 3.36Å; E55-R65 PolarHBondContact OE2-NH1 3.12Å; E55-R65 IonicContact OE2-NH2 3.18Å; E55-R65 PolarHBondContact OE2-NH2 3.46Å
56H80.5Confident87.3Confident87 Ų8753.9 Ų53.940%0.40327%0.274SS..  trans-103.290.1174.6-62.9-96.8000108.8L54L54-H56 PolarHBondContact O-CD2 2.97Å
57E73.5Confident87.3Confident108 Ų10851.7 Ų51.751%0.50527%0.267SS..  trans-83.6131.4168.5-176.6175.1-15300108.6L59 S60E57-L59 PolarHBondContact O-N 3.26Å; E57-S60 WeakPolarHBondContact CB-OG 3.38Å; E57-S60 PolarHBondContact O-N 3.36Å
58M65.5Low87.2Confident176 Ų17653.2 Ų53.287%0.86728%0.275SS*.THydrogen-bonded Turntrans-47.7-25.5-165.9-65.4-68.8-76.800116.3
59L68.6Low87Confident180 Ų18054.8 Ų54.894%0.94228%0.284SS*.THydrogen-bonded Turntrans-120.69.4-176.1-64173.5000113.7E57E57-L59 PolarHBondContact O-N 3.26Å
60S67.8Low86.7Confident34 Ų3458.5 Ų58.524%0.23831%0.307CS..SBendtrans-128.8151.9-17684.50000112.4E57E57-S60 WeakPolarHBondContact CB-OG 3.38Å; E57-S60 PolarHBondContact O-N 3.36Å
61S76.8Confident86.6Confident87 Ų8765.1 Ų65.161%0.60833%0.33SS*.  trans-57.3142.1171.4-540000110.3T63S61-T63 PolarHBondContact O-N 3.35Å; S61-T63 VanDerWaalsContact O-N 3.13Å; S61-T63 PolarHBondContact O-OG1 3.13Å
62P81.1Confident86.4Confident75 Ų7567 Ų6749%0.48734%0.34SS..  trans-54.8123.5-177.821.7-33000110.2E55E55-P62 WeakPolarHBondContact O-CA 3.4Å
63T86.4Confident86.5Confident8 Ų865.9 Ų65.95%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-106122.5-176.3-61.40000108.8E55 S61 R65 V289 A292E55-T63 PolarHBondContact N-O 3.48Å; E55-T63 PolarHBondContact O-N 3.45Å; S61-T63 PolarHBondContact O-N 3.35Å; S61-T63 VanDerWaalsContact O-N 3.13Å; S61-T63 PolarHBondContact O-OG1 3.13Å; T63-R65 PolarHBondContact O-N 3.4Å; T63-V289 HydrophobicContact CG2-CG2 3.99Å; T63-A292 HydrophobicContact CG2-CB 4.41Å
64K92Very high86.4Confident67 Ų6767.5 Ų67.529%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-60.2137.3172.7-67.1166.1-172.1159.70109L54 D211 W296L54-K64 HydrophobicContact CD2-CB 4.34Å; L54-K64 HydrophobicContact CD2-CG 3.56Å; K64-D211 IonicContact NZ-OD1 3.28Å; K64-D211 PolarHBondContact NZ-OD1 2.93Å; K64-D211 IonicContact NZ-OD2 3.03Å; K64-D211 PolarHBondContact NZ-OD2 2.88Å; K64-W296 HydrophobicContact CB-CH2 3.82Å; K64-W296 HydrophobicContact CB-CZ2 4.05Å; K64-W296 WeakPolarHBondContact O-CZ2 3.48Å
65R93.2Very high86.4Confident45 Ų4567.2 Ų67.217%0.1735%0.353CS..EExtended strand (participates in β ladder)trans-140.9143.5172.3-75.5-162.3174.1156.312112R52 Y53 E55 T63 S288R52-R65 CarbonylContact C-O 3.52Å; R52-R65 VanDerWaalsContact CA-O 3.26Å; R52-R65 WeakPolarHBondContact CA-O 3.18Å; R52-R65 WeakPolarHBondContact CG-O 3.45Å; Y53-R65 HydrophobicContact CD1-CB 4.3Å; Y53-R65 HydrophobicContact CE1-CB 3.75Å; Y53-R65 HydrophobicContact CE2-CB 4.29Å; Y53-R65 PolarHBondContact N-O 3Å; Y53-R65 PolarHBondContact O-N 2.98Å; E55-R65 IonicContact OE1-CZ 3.5Å; E55-R65 VanDerWaalsContact OE1-CZ 3.3Å; E55-R65 IonicContact OE1-NH1 3.57Å; E55-R65 PolarHBondContact OE1-NH1 3.4Å; E55-R65 IonicContact OE1-NH2 2.73Å; E55-R65 IonicContact OE2-CZ 2.64Å; E55-R65 IonicContact OE2-NE 2.8Å; E55-R65 PolarHBondContact OE2-NE 2.81Å; E55-R65 VanDerWaalsContact OE2-NE 3.1Å; E55-R65 IonicContact OE2-NH1 3.36Å; E55-R65 PolarHBondContact OE2-NH1 3.12Å; E55-R65 IonicContact OE2-NH2 3.18Å; E55-R65 PolarHBondContact OE2-NH2 3.46Å; T63-R65 PolarHBondContact O-N 3.4Å; R65-S288 PolarHBondContact NH2-OG 3.5Å
66W95.7Very high86.7Confident36 Ų3667.1 Ų67.114%0.13635%0.353CS..EExtended strand (participates in β ladder)trans-79.2142.3165.5-64.4111.7000109.2L51 R52 N68 R88 K90 W296L51-W66 CarbonylContact O-C 3.56Å; L51-W66 WeakPolarHBondContact O-CA 3.4Å; R52-W66 HydrophobicContact CB-CD2 4.4Å; R52-W66 HydrophobicContact CB-CE3 3.81Å; R52-W66 HydrophobicContact CB-CH2 4.46Å; R52-W66 HydrophobicContact CB-CZ3 3.85Å; R52-W66 HydrophobicContact CG-CD2 4.47Å; R52-W66 HydrophobicContact CG-CE3 4.36Å; W66-N68 PolarHBondContact O-N 2.93Å; W66-R88 HydrophobicContact CH2-CB 3.64Å; W66-R88 HydrophobicContact CH2-CG 4.38Å; W66-R88 HydrophobicContact CZ3-CB 3.81Å; W66-R88 HydrophobicContact CZ3-CG 4.45Å; W66-K90 HydrophobicContact CD2-CD 4.46Å; W66-K90 HydrophobicContact CD2-CG 4.09Å; W66-K90 HydrophobicContact CE3-CG 4.23Å; W66-K90 HydrophobicContact CH2-CB 3.89Å; W66-K90 HydrophobicContact CH2-CG 4.07Å; W66-K90 HydrophobicContact CZ2-CB 4.19Å; W66-K90 HydrophobicContact CZ2-CG 3.92Å; W66-K90 HydrophobicContact CZ3-CB 4.08Å; W66-K90 HydrophobicContact CZ3-CG 4.21Å; W66-W296 AromaticContact CD1-CD1 3.37Å; W66-W296 AromaticContact CD1-CE2 3.75Å; W66-W296 AromaticContact CD1-CG 3.91Å; W66-W296 AromaticContact CD1-NE1 3.28Å; W66-W296 VanDerWaalsContact CD1-NE1 3.28Å; W66-W296 AromaticContact NE1-CD1 3.97Å; W66-W296 AromaticContact NE1-CE2 3.92Å; W66-W296 AromaticContact NE1-NE1 3.91Å
67I95.6Very high87.3Confident11 Ų1163 Ų636%0.05633%0.333CS..PPolyproline II helixtrans-63.7129.3171-66.7-172.3000108.6L51 Y53 L69 L73 V85L51-I67 HydrophobicContact CB-CB 4.1Å; L51-I67 HydrophobicContact CB-CD1 3.57Å; L51-I67 HydrophobicContact CB-CG1 3.91Å; L51-I67 HydrophobicContact CD1-CD1 4.04Å; L51-I67 HydrophobicContact CG-CD1 4.45Å; L51-I67 PolarHBondContact O-N 2.88Å; Y53-I67 HydrophobicContact CD1-CG1 3.78Å; Y53-I67 HydrophobicContact CE1-CG1 4.15Å; I67-L69 PolarHBondContact O-N 2.91Å; I67-L73 HydrophobicContact CD1-CD1 3.75Å; I67-L73 HydrophobicContact CG1-CD1 4.45Å; I67-L73 HydrophobicContact CG2-CD1 4.06Å; I67-V85 HydrophobicContact CD1-CB 4.44Å; I67-V85 HydrophobicContact CD1-CG1 3.62Å; I67-V85 HydrophobicContact CD1-CG2 3.88Å; I67-V85 HydrophobicContact CG1-CG1 4.49Å
68N94.1Very high88.1Confident48 Ų4864.1 Ų64.126%0.25734%0.337SS..PPolyproline II helixtrans-79.5117.8169.9-172.8-47.5000109W66 T70 R71 Q76W66-N68 PolarHBondContact O-N 2.93Å; N68-T70 VanDerWaalsContact C-N 3.26Å; N68-T70 PolarHBondContact O-N 3.31Å; N68-T70 PolarHBondContact OD1-N 3.04Å; N68-T70 PolarHBondContact OD1-OG1 2.82Å; N68-R71 HydrophobicContact CB-CB 4.25Å; N68-R71 HydrophobicContact CB-CG 4.25Å; N68-R71 PolarHBondContact O-N 3.42Å; N68-R71 PolarHBondContact OD1-N 2.85Å; N68-Q76 PolarHBondContact O-NE2 2.83Å
69L94.6Very high89Confident36 Ų3660.6 Ų60.619%0.18832%0.318CS..THydrogen-bonded Turntrans-66.2-27.4-176.3-56.6-176.8000113T28 K30 F33 I67T28-L69 WeakPolarHBondContact CB-O 3.48Å; K30-L69 HydrophobicContact CB-CB 4.07Å; K30-L69 VanDerWaalsContact CB-O 3.26Å; K30-L69 WeakPolarHBondContact CB-O 3.19Å; K30-L69 PolarHBondContact N-O 3.4Å; F33-L69 HydrophobicContact CB-CD2 3.67Å; F33-L69 HydrophobicContact CD1-CD1 3.96Å; F33-L69 HydrophobicContact CD1-CD2 3.76Å; F33-L69 HydrophobicContact CE1-CD1 4.18Å; F33-L69 HydrophobicContact CG-CD2 3.79Å; I67-L69 PolarHBondContact O-N 2.91Å
70T91.5Very high89.9Confident84 Ų8452.2 Ų52.252%0.51527%0.274SS..THydrogen-bonded Turntrans-86.7-16.9-176.465.90000113.8N68N68-T70 VanDerWaalsContact C-N 3.26Å; N68-T70 PolarHBondContact O-N 3.31Å; N68-T70 PolarHBondContact OD1-N 3.04Å; N68-T70 PolarHBondContact OD1-OG1 2.82Å
71R93.4Very high90.8Very high145 Ų14558.1 Ų58.155%0.54729%0.293SS..SBendtrans-97.5151.2-176.7-65.5-173-178.2-170.53.5110.8T28 G29 N68 L73 Q76T28-R71 CarbonylContact C-O 3.6Å; T28-R71 WeakPolarHBondContact CA-O 3.3Å; G29-R71 PolarHBondContact N-O 2.78Å; N68-R71 HydrophobicContact CB-CB 4.25Å; N68-R71 HydrophobicContact CB-CG 4.25Å; N68-R71 PolarHBondContact O-N 3.42Å; N68-R71 PolarHBondContact OD1-N 2.85Å; R71-L73 PolarHBondContact O-N 3.31Å; R71-Q76 HydrophobicContact CB-CG 4.43Å; R71-Q76 PolarHBondContact O-NE2 3.45Å; R71-Q76 VanDerWaalsContact O-NE2 3.16Å
72N95.2Very high91.3Very high44 Ų4458.5 Ų58.524%0.23529%0.293CS..BIsolated β-bridgetrans-55.3135.4172.9171.9-85.1000110.7E25 D26 A27 S74 S75 Q76E25-N72 PolarHBondContact O-ND2 3.43Å; D26-N72 VanDerWaalsContact C-ND2 3.31Å; D26-N72 WeakPolarHBondContact CA-ND2 3.19Å; D26-N72 PolarHBondContact O-ND2 3.47Å; A27-N72 PolarHBondContact O-ND2 2.93Å; N72-S74 PolarHBondContact OD1-N 3.35Å; N72-S74 VanDerWaalsContact OD1-N 3.11Å; N72-S74 PolarHBondContact OD1-OG 3.47Å; N72-S75 PolarHBondContact O-OG 3.14Å; N72-S75 PolarHBondContact OD1-N 2.75Å; N72-Q76 WeakPolarHBondContact O-CG 3.25Å; N72-Q76 PolarHBondContact O-NE2 3.2Å
73L95.8Very high91.9Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-75-41.8-173.3-177.963.2000112.5F6 V8 V23 A27 L32 I67 R71 S75 Q76 L77F6-L73 HydrophobicContact CE2-CD2 4.34Å; F6-L73 HydrophobicContact CE2-CG 4.41Å; F6-L73 HydrophobicContact CZ-CB 4.11Å; F6-L73 HydrophobicContact CZ-CD2 3.93Å; F6-L73 HydrophobicContact CZ-CG 3.92Å; V8-L73 HydrophobicContact CG2-CD2 4.27Å; V23-L73 HydrophobicContact CG1-CD2 3.95Å; V23-L73 HydrophobicContact CG2-CD2 4.31Å; A27-L73 PolarHBondContact O-N 3.48Å; L32-L73 HydrophobicContact CB-CD2 4.02Å; L32-L73 HydrophobicContact CD2-CD2 3.53Å; L32-L73 HydrophobicContact CG-CD2 4.4Å; I67-L73 HydrophobicContact CD1-CD1 3.75Å; I67-L73 HydrophobicContact CG1-CD1 4.45Å; I67-L73 HydrophobicContact CG2-CD1 4.06Å; R71-L73 PolarHBondContact O-N 3.31Å; L73-S75 PolarHBondContact O-N 2.9Å; L73-Q76 WeakPolarHBondContact O-CB 3.5Å; L73-Q76 PolarHBondContact O-N 2.81Å; L73-L77 HydrophobicContact CD1-CD1 3.86Å; L73-L77 HydrophobicContact CD1-CG 4.04Å; L73-L77 HydrophobicContact CD2-CD1 4.34Å; L73-L77 HydrophobicContact CG-CD1 3.95Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 PolarHBondContact O-N 3.02Å
74S93.6Very high92.2Very high43 Ų4361.3 Ų61.330%0.30130%0.295SS..Hα-helixtrans-60.7-36.8-179.366.80000111.4E25 N72 Q76 L77 K78E25-S74 PolarHBondContact O-OG 3.21Å; E25-S74 VanDerWaalsContact O-OG 3.11Å; N72-S74 PolarHBondContact OD1-N 3.35Å; N72-S74 VanDerWaalsContact OD1-N 3.11Å; N72-S74 PolarHBondContact OD1-OG 3.47Å; S74-Q76 VanDerWaalsContact C-N 3.33Å; S74-Q76 PolarHBondContact O-N 2.81Å; S74-L77 PolarHBondContact O-N 3.31Å; S74-K78 PolarHBondContact O-N 3.03Å; S74-K78 VanDerWaalsContact O-N 3.1Å
75S93Very high92.4Very high71 Ų7158.2 Ų58.250%0.49728%0.282SS..Hα-helixtrans-63.8-33.6173.876.70000113.9N72 L73N72-S75 PolarHBondContact O-OG 3.14Å; N72-S75 PolarHBondContact OD1-N 2.75Å; L73-S75 PolarHBondContact O-N 2.9Å
76Q93.5Very high92.5Very high24 Ų2456.8 Ų56.811%0.11228%0.279CS..Hα-helixtrans-77.8-33.4179.3-68.1178.88200112N68 R71 N72 L73 S74N68-Q76 PolarHBondContact O-NE2 2.83Å; R71-Q76 HydrophobicContact CB-CG 4.43Å; R71-Q76 PolarHBondContact O-NE2 3.45Å; R71-Q76 VanDerWaalsContact O-NE2 3.16Å; N72-Q76 WeakPolarHBondContact O-CG 3.25Å; N72-Q76 PolarHBondContact O-NE2 3.2Å; L73-Q76 WeakPolarHBondContact O-CB 3.5Å; L73-Q76 PolarHBondContact O-N 2.81Å; S74-Q76 VanDerWaalsContact C-N 3.33Å; S74-Q76 PolarHBondContact O-N 2.81Å
77L93.3Very high92.6Very high0 Ų055 Ų550%027%0.272CS..SBendtrans-95.89.9-178.8-59.9-178.7000113.4F6 V8 Y53 L73 S74 H79 T80 R83 V85F6-L77 HydrophobicContact CE2-CD1 4.38Å; V8-L77 HydrophobicContact CG1-CD1 4.26Å; V8-L77 HydrophobicContact CG2-CD1 3.97Å; Y53-L77 HydrophobicContact CD1-CD2 4.15Å; Y53-L77 HydrophobicContact CD2-CD2 3.86Å; Y53-L77 HydrophobicContact CE2-CD2 4.31Å; Y53-L77 HydrophobicContact CG-CD2 3.76Å; L73-L77 HydrophobicContact CD1-CD1 3.86Å; L73-L77 HydrophobicContact CD1-CG 4.04Å; L73-L77 HydrophobicContact CD2-CD1 4.34Å; L73-L77 HydrophobicContact CG-CD1 3.95Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 PolarHBondContact O-N 3.02Å; S74-L77 PolarHBondContact O-N 3.31Å; L77-H79 PolarHBondContact O-N 3.05Å; L77-T80 HydrophobicContact CD2-CG2 4.36Å; L77-T80 PolarHBondContact O-N 3.38Å; L77-T80 VanDerWaalsContact O-N 3.12Å; L77-R83 HydrophobicContact CB-CG 4.42Å; L77-V85 HydrophobicContact CD1-CG2 4.11Å; L77-V85 HydrophobicContact CD2-CG2 4.28Å
78K88.7Confident92.6Very high132 Ų13254.9 Ų54.957%0.57427%0.271SS*.THydrogen-bonded Turntrans-57-33.2-177.9-174.5176.8-179.2178.10113.5S74 Y81S74-K78 PolarHBondContact O-N 3.03Å; S74-K78 VanDerWaalsContact O-N 3.1Å; K78-Y81 WeakPolarHBondContact O-CE2 3.44Å; K78-Y81 PolarHBondContact O-OH 3.16Å
79H85.2Confident92.8Very high103 Ų10352.9 Ų52.948%0.47726%0.26SS..THydrogen-bonded Turntrans-110.322.6-178.4-57.8-64.9000112.4L77L77-H79 PolarHBondContact O-N 3.05Å
80T87.1Confident92.9Very high3 Ų352.7 Ų52.72%0.01826%0.258CS..  trans-117.8102.9-176.6-54.10000108.6Y53 L54 L77 P82 R83Y53-T80 HydrophobicContact CD2-CG2 4.32Å; L54-T80 WeakPolarHBondContact O-CG2 3.26Å; L77-T80 HydrophobicContact CD2-CG2 4.36Å; L77-T80 PolarHBondContact O-N 3.38Å; L77-T80 VanDerWaalsContact O-N 3.12Å; T80-P82 CarbonylContact C-O 3.57Å; T80-P82 WeakPolarHBondContact CG2-O 3.35Å; T80-P82 CarbonylContact O-C 3.58Å; T80-R83 VanDerWaalsContact O-CG 3.29Å; T80-R83 WeakPolarHBondContact O-CG 3.24Å; T80-R83 PolarHBondContact O-N 3.3Å
81Y86.6Confident93.2Very high159 Ų15949 Ų4962%0.62424%0.235SC*.SBendtrans-128.7118.4179.3-63.4-82000109.6K78K78-Y81 WeakPolarHBondContact O-CE2 3.44Å; K78-Y81 PolarHBondContact O-OH 3.16Å
82P88.2Confident93.4Very high94 Ų9442.7 Ų42.761%0.6121%0.211SC*.SBendcis-64.3157.5-5.129.4-35.8000112.6T80 Q84T80-P82 CarbonylContact C-O 3.57Å; T80-P82 WeakPolarHBondContact CG2-O 3.35Å; T80-P82 CarbonylContact O-C 3.58Å; P82-Q84 PolarHBondContact O-N 2.86Å
83R92.4Very high93.4Very high85 Ų8540.7 Ų40.732%0.32120%0.2SC..  trans-74.668.6177.1-68.4-178.6-172.9137.7-4.5110.7S9 L77 T80S9-R83 PolarHBondContact N-O 2.86Å; L77-R83 HydrophobicContact CB-CG 4.42Å; T80-R83 VanDerWaalsContact O-CG 3.29Å; T80-R83 WeakPolarHBondContact O-CG 3.24Å; T80-R83 PolarHBondContact O-N 3.3Å
84Q94Very high93.3Very high58 Ų5842 Ų4227%0.27121%0.211SC..EExtended strand (participates in β ladder)trans-99.9132.2-176.3-168.6-175.7-800111.5S9 M18 Y53 P82S9-Q84 WeakPolarHBondContact O-CA 3.37Å; M18-Q84 HydrophobicContact SD-CG 4.04Å; M18-Q84 PolarHBondContact SD-NE2 2.92Å; Y53-Q84 WeakPolarHBondContact CB-O 3.39Å; P82-Q84 PolarHBondContact O-N 2.86Å
85V95.9Very high93.2Very high1 Ų142.8 Ų42.81%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-125.1149.3176.4179.60000108.6V8 S9 V10 R11 L51 R52 I67 L77V8-V85 HydrophobicContact CG1-CB 4.17Å; V8-V85 HydrophobicContact CG1-CG2 3.63Å; S9-V85 PolarHBondContact O-N 3.47Å; V10-V85 CarbonylContact C-O 3.58Å; V10-V85 WeakPolarHBondContact CA-O 3.49Å; R11-V85 PolarHBondContact N-O 3.03Å; L51-V85 HydrophobicContact CB-CG1 3.56Å; L51-V85 HydrophobicContact CD1-CG1 4.33Å; L51-V85 HydrophobicContact CD2-CG1 3.76Å; L51-V85 HydrophobicContact CG-CG1 4.06Å; R52-V85 CarbonylContact O-C 3.56Å; I67-V85 HydrophobicContact CD1-CB 4.44Å; I67-V85 HydrophobicContact CD1-CG1 3.62Å; I67-V85 HydrophobicContact CD1-CG2 3.88Å; I67-V85 HydrophobicContact CG1-CG1 4.49Å; L77-V85 HydrophobicContact CD1-CG2 4.11Å; L77-V85 HydrophobicContact CD2-CG2 4.28Å
86S95.6Very high93.2Very high15 Ų1539.6 Ų39.611%0.10519%0.189CC..EExtended strand (participates in β ladder)trans-120128176-77.10000110.8R11 L51 R52 R88R11-S86 WeakPolarHBondContact O-CA 3.41Å; L51-S86 CarbonylContact C-O 3.48Å; L51-S86 WeakPolarHBondContact CA-O 3.44Å; R52-S86 PolarHBondContact N-O 3.18Å; R52-S86 PolarHBondContact O-N 3.44Å; S86-R88 VanDerWaalsContact CB-NH2 3.3Å; S86-R88 PolarHBondContact OG-NH2 3.27Å
87F97Very high93Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-73.1131.9165-169.3-114000109.8R11 L12 L13 F33 I36 Q40 V42 F49 L51 L108R11-F87 PolarHBondContact O-N 3.39Å; L12-F87 HydrophobicContact CD2-CB 4.43Å; L13-F87 HydrophobicContact CD1-CD1 3.83Å; L13-F87 HydrophobicContact CD1-CE1 4.11Å; L13-F87 HydrophobicContact CG-CD1 4.15Å; F33-F87 HydrophobicContact CE2-CE2 4.17Å; I36-F87 HydrophobicContact CG2-CB 4.42Å; I36-F87 HydrophobicContact CG2-CD2 3.57Å; I36-F87 HydrophobicContact CG2-CE2 3.86Å; I36-F87 HydrophobicContact CG2-CG 3.97Å; I36-F87 HydrophobicContact CG2-CZ 4.47Å; Q40-F87 HydrophobicContact CG-CE1 4.27Å; V42-F87 HydrophobicContact CG2-CZ 4.25Å; F49-F87 HydrophobicContact CB-CE1 4.38Å; F49-F87 HydrophobicContact CB-CE2 3.6Å; F49-F87 HydrophobicContact CB-CZ 3.46Å; F49-F87 VanDerWaalsContact CB-CZ 3.46Å; F49-F87 AromaticContact CD1-CE1 3.67Å; F49-F87 HydrophobicContact CD1-CE1 3.67Å; F49-F87 HydrophobicContact CD1-CE2 4.42Å; F49-F87 AromaticContact CD1-CZ 3.53Å; F49-F87 HydrophobicContact CD1-CZ 3.53Å; F49-F87 HydrophobicContact CD2-CZ 4.34Å; F49-F87 HydrophobicContact CE1-CE1 4.25Å; F49-F87 HydrophobicContact CE1-CZ 4.38Å; F49-F87 HydrophobicContact CG-CE1 4.15Å; F49-F87 HydrophobicContact CG-CE2 4.19Å; F49-F87 AromaticContact CG-CZ 3.51Å; F49-F87 HydrophobicContact CG-CZ 3.51Å; L51-F87 HydrophobicContact CD2-CB 4.13Å; L51-F87 HydrophobicContact CD2-CD2 3.93Å; F87-L108 HydrophobicContact CE1-CD1 4.18Å
88R96.5Very high92.8Very high7 Ų745.4 Ų45.43%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-147.3155.3-173.5-61.7-67.7163.4-133.4-21.4110.6F49 G50 R52 W66 S86 K90 Q112F49-R88 CarbonylContact C-O 3.53Å; F49-R88 WeakPolarHBondContact CA-O 3.44Å; G50-R88 PolarHBondContact N-O 3.29Å; G50-R88 PolarHBondContact O-N 3.08Å; R52-R88 HydrophobicContact CB-CG 4.36Å; W66-R88 HydrophobicContact CH2-CB 3.64Å; W66-R88 HydrophobicContact CH2-CG 4.38Å; W66-R88 HydrophobicContact CZ3-CB 3.81Å; W66-R88 HydrophobicContact CZ3-CG 4.45Å; S86-R88 VanDerWaalsContact CB-NH2 3.3Å; S86-R88 PolarHBondContact OG-NH2 3.27Å; R88-K90 PolarHBondContact O-N 3.19Å; R88-Q112 VanDerWaalsContact CD-OE1 3.23Å
89V97.4Very high92.9Very high7 Ų739.2 Ų39.24%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-69.9122160.8-176.20000107.8L13 Y48 F49 H91 Y92 L109 Q112L13-V89 HydrophobicContact CD1-CG2 4.46Å; Y48-V89 CarbonylContact O-C 3.6Å; F49-V89 HydrophobicContact CD1-CG2 4.28Å; F49-V89 HydrophobicContact CE1-CG2 4.08Å; V89-H91 VanDerWaalsContact CG1-O 3.23Å; V89-H91 WeakPolarHBondContact CG1-O 3.37Å; V89-Y92 HydrophobicContact CB-CD2 4.31Å; V89-Y92 HydrophobicContact CB-CE2 3.96Å; V89-Y92 HydrophobicContact CG1-CD2 3.75Å; V89-Y92 HydrophobicContact CG1-CE2 3.92Å; V89-Y92 HydrophobicContact CG1-CG 4.12Å; V89-L109 HydrophobicContact CG1-CD1 4.49Å; V89-L109 HydrophobicContact CG2-CD1 4.29Å; V89-Q112 HydrophobicContact CB-CB 4.37Å; V89-Q112 HydrophobicContact CB-CG 3.88Å; V89-Q112 HydrophobicContact CG2-CB 3.67Å; V89-Q112 HydrophobicContact CG2-CG 3.75Å
90K96.8Very high93.3Very high32 Ų3234.6 Ų34.614%0.13918%0.175CC..SBendtrans-94.1-47.1-178.8-173-172.5-170.5-153.60110.8Y48 W66 R88 D299 R300Y48-K90 PolarHBondContact O-N 3.1Å; W66-K90 HydrophobicContact CD2-CD 4.46Å; W66-K90 HydrophobicContact CD2-CG 4.09Å; W66-K90 HydrophobicContact CE3-CG 4.23Å; W66-K90 HydrophobicContact CH2-CB 3.89Å; W66-K90 HydrophobicContact CH2-CG 4.07Å; W66-K90 HydrophobicContact CZ2-CB 4.19Å; W66-K90 HydrophobicContact CZ2-CG 3.92Å; W66-K90 HydrophobicContact CZ3-CB 4.08Å; W66-K90 HydrophobicContact CZ3-CG 4.21Å; R88-K90 PolarHBondContact O-N 3.19Å; K90-D299 WeakPolarHBondContact CE-OD2 3.44Å; K90-D299 IonicContact NZ-OD1 2.59Å; K90-D299 PolarHBondContact NZ-OD1 3.43Å; K90-D299 IonicContact NZ-OD2 2.95Å; K90-D299 PolarHBondContact NZ-OD2 2.9Å; K90-R300 PolarHBondContact O-NE 3.1Å; K90-R300 PolarHBondContact O-NH2 3.38Å
91H97.4Very high93.5Very high5 Ų538.9 Ų38.92%0.02319%0.191CC..SBendtrans-109.7114174.9-55.1104.3000107.6E47 Y48 V89 D299 F303 F304E47-H91 PolarHBondContact O-CE1 3.14Å; E47-H91 PolarHBondContact O-ND1 3.21Å; Y48-H91 HydrophobicContact CD1-CB 4Å; Y48-H91 VanDerWaalsContact CD1-O 3.31Å; Y48-H91 WeakPolarHBondContact CD1-O 3.23Å; Y48-H91 PolarHBondContact O-N 3.16Å; V89-H91 VanDerWaalsContact CG1-O 3.23Å; V89-H91 WeakPolarHBondContact CG1-O 3.37Å; H91-D299 IonicContact CE1-OD2 3.1Å; H91-D299 PolarHBondContact CE1-OD2 2.78Å; H91-D299 IonicContact NE2-OD2 3.1Å; H91-D299 PolarHBondContact NE2-OD2 2.91Å; H91-F303 HydrophobicContact CB-CD1 3.7Å; H91-F303 HydrophobicContact CB-CE1 3.5Å; H91-F303 HydrophobicContact CB-CG 4.45Å; H91-F303 HydrophobicContact CB-CZ 4.13Å; H91-F303 AromaticContact CD2-CD1 3.45Å; H91-F303 VanDerWaalsContact CD2-CD1 3.45Å; H91-F303 WeakPolarHBondContact CD2-CD1 3.25Å; H91-F303 AromaticContact CD2-CG 3.58Å; H91-F303 AromaticContact CE1-CG 3.87Å; H91-F303 AromaticContact CG-CD1 3.49Å; H91-F303 VanDerWaalsContact CG-CD1 3.49Å; H91-F303 AromaticContact CG-CE1 3.73Å; H91-F303 AromaticContact CG-CG 3.77Å; H91-F303 AromaticContact ND1-CG 3.96Å; H91-F303 WeakPolarHBondContact NE2-CB 3.13Å; H91-F303 AromaticContact NE2-CG 3.67Å; H91-F304 HydrophobicContact CB-CE2 4.38Å; H91-F304 HydrophobicContact CB-CZ 4.02Å
92Y97.8Very high93.8Very high14 Ų1432.7 Ų32.76%0.05517%0.169CC..  trans-80126.7174.5-77.2-119.9000107.2V89 L109 Q112 L113 D116 Y208 G209 F304V89-Y92 HydrophobicContact CB-CD2 4.31Å; V89-Y92 HydrophobicContact CB-CE2 3.96Å; V89-Y92 HydrophobicContact CG1-CD2 3.75Å; V89-Y92 HydrophobicContact CG1-CE2 3.92Å; V89-Y92 HydrophobicContact CG1-CG 4.12Å; Y92-L109 HydrophobicContact CD1-CD1 4.23Å; Y92-L109 HydrophobicContact CE1-CD1 4.44Å; Y92-Q112 HydrophobicContact CE1-CG 4.18Å; Y92-Q112 WeakPolarHBondContact OH-CG 3.41Å; Y92-Q112 PolarHBondContact OH-NE2 2.86Å; Y92-L113 HydrophobicContact CE1-CD2 4.02Å; Y92-D116 PolarHBondContact OH-OD2 3.41Å; Y92-Y208 HydrophobicContact CD1-CD1 4.41Å; Y92-Y208 HydrophobicContact CD1-CD2 4.17Å; Y92-Y208 AromaticContact CD1-CE1 3.99Å; Y92-Y208 HydrophobicContact CD1-CE1 3.99Å; Y92-Y208 AromaticContact CD1-CE2 3.76Å; Y92-Y208 HydrophobicContact CD1-CE2 3.76Å; Y92-Y208 HydrophobicContact CD1-CG 4.48Å; Y92-Y208 AromaticContact CD1-CZ 3.64Å; Y92-Y208 HydrophobicContact CE1-CE2 4.45Å; Y92-Y208 HydrophobicContact CG-CE1 4.29Å; Y92-G209 VanDerWaalsContact CG-CA 3.42Å; Y92-F304 VanDerWaalsContact O-CZ 3.3Å; Y92-F304 WeakPolarHBondContact O-CZ 3.43Å
93P96.3Very high94Very high1 Ų130.3 Ų30.31%0.00615%0.153CC..  trans-58.6144.4-179.625.6-35.1000110.6Y48 D95 P96 D99 L100 L109 Y208Y48-P93 HydrophobicContact CE1-CB 4.19Å; P93-D95 VanDerWaalsContact C-N 3.32Å; P93-P96 HydrophobicContact CG-CB 4.17Å; P93-P96 HydrophobicContact CG-CG 4.05Å; P93-D99 WeakPolarHBondContact CA-OD2 2.98Å; P93-D99 HydrophobicContact CB-CB 3.49Å; P93-D99 VanDerWaalsContact CB-CB 3.49Å; P93-L100 HydrophobicContact CB-CG 4.3Å; P93-L100 HydrophobicContact CG-CD1 3.95Å; P93-L100 HydrophobicContact CG-CG 4.13Å; P93-L109 HydrophobicContact CG-CD2 3.95Å; P93-Y208 VanDerWaalsContact O-CE1 3.28Å; P93-Y208 WeakPolarHBondContact O-CE1 3.29Å
94A92.7Very high94Very high27 Ų2728.3 Ų28.322%0.22315%0.147CC..SBendtrans-70.5-37.6176.700000110.9D99 H231A94-D99 PolarHBondContact N-OD2 3.35Å; A94-H231 HydrophobicContact CB-CB 4.27Å; A94-H231 WeakPolarHBondContact CB-CD2 3.39Å
95D92.4Very high94.1Very high61 Ų6125.6 Ų25.633%0.32613%0.134SC..SBendtrans-133.4105.3171179.4-16.7000107.4P93 I97 V98 D99P93-D95 VanDerWaalsContact C-N 3.32Å; D95-I97 PolarHBondContact O-N 3.26Å; D95-I97 VanDerWaalsContact O-N 3.14Å; D95-I97 WeakPolarHBondContact OD1-CB 3.3Å; D95-I97 PolarHBondContact OD1-N 3.2Å; D95-V98 HydrophobicContact CB-CB 4.22Å; D95-V98 HydrophobicContact CB-CG2 4.42Å; D95-V98 PolarHBondContact O-N 3Å; D95-V98 VanDerWaalsContact OD2-CG2 3.29Å; D95-V98 WeakPolarHBondContact OD2-CG2 3.43Å; D95-D99 PolarHBondContact N-OD2 3Å; D95-D99 WeakPolarHBondContact O-CB 3.17Å; D95-D99 VanDerWaalsContact O-CG 3.3Å; D95-D99 PolarHBondContact O-N 3.22Å
96P93.2Very high94.1Very high3 Ų326 Ų262%0.01914%0.136CC..Hα-helixtrans-52.3-35.9-178.7-2633.1000113.6P93 L100 H106 L109 I199P93-P96 HydrophobicContact CG-CB 4.17Å; P93-P96 HydrophobicContact CG-CG 4.05Å; P96-L100 VanDerWaalsContact O-CB 3.31Å; P96-L100 WeakPolarHBondContact O-CB 3.2Å; P96-L100 PolarHBondContact O-N 3.44Å; P96-H106 PolarHBondContact O-CE1 3.16Å; P96-H106 PolarHBondContact O-NE2 2.84Å; P96-L109 HydrophobicContact CB-CD2 3.95Å; P96-L109 HydrophobicContact CG-CD2 4.02Å; P96-I199 HydrophobicContact CB-CG2 3.68Å; P96-I199 HydrophobicContact CG-CG2 3.69Å
97I88.9Confident94Very high64 Ų6426.9 Ų26.933%0.32814%0.137SC..Hα-helixtrans-71.3-41.6-174-63.1166.9000110.9D95 F463 V465D95-I97 PolarHBondContact O-N 3.26Å; D95-I97 VanDerWaalsContact O-N 3.14Å; D95-I97 WeakPolarHBondContact OD1-CB 3.3Å; D95-I97 PolarHBondContact OD1-N 3.2Å; I97-F463 WeakPolarHBondContact CD1-O 3.32Å; I97-V465 HydrophobicContact CG1-CB 4.42Å; I97-V465 HydrophobicContact CG1-CG2 3.71Å
98V89.1Confident94Very high83 Ų8326.9 Ų26.950%0.50314%0.137SC..Hα-helixtrans-82.2-36.4-178.6177.30000111.3D95D95-V98 HydrophobicContact CB-CB 4.22Å; D95-V98 HydrophobicContact CB-CG2 4.42Å; D95-V98 PolarHBondContact O-N 3Å; D95-V98 VanDerWaalsContact OD2-CG2 3.29Å; D95-V98 WeakPolarHBondContact OD2-CG2 3.43Å
99D91.6Very high94Very high1 Ų126.6 Ų26.61%0.00514%0.136CC..Hα-helixtrans-85.8-29-171.1-73.9-12.8000113.7Y48 P93 A94 D95 R335 I339Y48-D99 WeakPolarHBondContact OH-CB 3.42Å; Y48-D99 PolarHBondContact OH-O 2.99Å; P93-D99 WeakPolarHBondContact CA-OD2 2.98Å; P93-D99 HydrophobicContact CB-CB 3.49Å; P93-D99 VanDerWaalsContact CB-CB 3.49Å; A94-D99 PolarHBondContact N-OD2 3.35Å; D95-D99 PolarHBondContact N-OD2 3Å; D95-D99 WeakPolarHBondContact O-CB 3.17Å; D95-D99 VanDerWaalsContact O-CG 3.3Å; D95-D99 PolarHBondContact O-N 3.22Å; D99-R335 VanDerWaalsContact CG-NH2 3.27Å; D99-R335 IonicContact OD1-CZ 2.68Å; D99-R335 VanDerWaalsContact OD1-CZ 3.28Å; D99-R335 IonicContact OD1-NE 2.97Å; D99-R335 PolarHBondContact OD1-NE 2.84Å; D99-R335 IonicContact OD1-NH2 2.98Å; D99-R335 PolarHBondContact OD1-NH2 2.84Å; D99-R335 IonicContact OD2-CZ 3.67Å; D99-R335 VanDerWaalsContact OD2-CZ 3.28Å; D99-R335 IonicContact OD2-NE 2.8Å; D99-R335 PolarHBondContact OD2-NE 2.78Å; D99-R335 VanDerWaalsContact OD2-NE 3.16Å; D99-R335 IonicContact OD2-NH2 3.57Å; D99-R335 PolarHBondContact OD2-NH2 2.83Å; D99-I339 WeakPolarHBondContact OD1-CD1 3.47Å
100L93.6Very high93.9Very high6 Ų626.3 Ų26.33%0.03114%0.135CC..  trans-115.3123.4-179.4-54.8179.2000110.6Y48 P93 P96 H106 L109Y48-L100 HydrophobicContact CD1-CD2 4.38Å; Y48-L100 HydrophobicContact CD2-CD2 3.57Å; Y48-L100 HydrophobicContact CE2-CD2 3.75Å; Y48-L100 HydrophobicContact CG-CD2 3.91Å; P93-L100 HydrophobicContact CB-CG 4.3Å; P93-L100 HydrophobicContact CG-CD1 3.95Å; P93-L100 HydrophobicContact CG-CG 4.13Å; P96-L100 VanDerWaalsContact O-CB 3.31Å; P96-L100 WeakPolarHBondContact O-CB 3.2Å; P96-L100 PolarHBondContact O-N 3.44Å; L100-H106 PolarHBondContact O-NE2 3.02Å; L100-L109 HydrophobicContact CD1-CB 4.47Å; L100-L109 HydrophobicContact CD1-CD2 3.96Å
101R90.3Very high93.9Very high93 Ų9325.2 Ų25.235%0.35113%0.13SC..  trans-101.1-33.2179.1-57.9-171.4169.697.53.6112.6E45 P103 V338 I339 L343E45-R101 WeakPolarHBondContact OE1-CA 3.32Å; E45-R101 WeakPolarHBondContact OE1-CB 3.48Å; E45-R101 PolarHBondContact OE1-N 2.74Å; R101-P103 WeakPolarHBondContact O-CD 3.43Å; R101-V338 PolarHBondContact NH1-O 2.88Å; R101-I339 PolarHBondContact NH1-O 2.99Å; R101-I339 PolarHBondContact NH2-O 2.86Å; R101-L343 HydrophobicContact CB-CD1 4.35Å; R101-L343 HydrophobicContact CB-CD2 4.28Å
102L92.1Very high93.8Very high30 Ų3025.1 Ų25.116%0.15713%0.129CC..  trans-76.2127.3-177.6-61.8177.1000109.9Q44 E45 K104 S105 H106 L343Q44-L102 HydrophobicContact CB-CD1 4.31Å; E45-L102 HydrophobicContact CB-CD1 4.41Å; E45-L102 HydrophobicContact CG-CD1 4.14Å; E45-L102 HydrophobicContact CG-CG 4.33Å; E45-L102 PolarHBondContact OE1-N 2.7Å; E45-L102 PolarHBondContact OE2-N 3.22Å; L102-K104 PolarHBondContact O-N 3.45Å; L102-S105 WeakPolarHBondContact O-CB 3.21Å; L102-S105 PolarHBondContact O-N 3.39Å; L102-H106 PolarHBondContact O-CD2 3.39Å; L102-H106 PolarHBondContact O-N 3.36Å; L102-L343 HydrophobicContact CD2-CD2 4.45Å
103P92.5Very high93.7Very high43 Ų4324.5 Ų24.528%0.27913%0.127SC..Hα-helixtrans-55.4-35.1173-2635.3000112.2R101 S105 H106 Y107 L469 L470 L473R101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-S105 VanDerWaalsContact C-N 3.32Å; P103-S105 PolarHBondContact O-N 3.14Å; P103-H106 WeakPolarHBondContact O-CB 3.37Å; P103-H106 PolarHBondContact O-N 3.38Å; P103-Y107 PolarHBondContact O-N 3.34Å; P103-L469 HydrophobicContact CB-CB 4.39Å; P103-L469 WeakPolarHBondContact CB-O 3.48Å; P103-L469 HydrophobicContact CG-CB 4.03Å; P103-L470 HydrophobicContact CB-CD2 4.08Å; P103-L470 VanDerWaalsContact O-CD2 3.25Å; P103-L470 WeakPolarHBondContact O-CD2 3.31Å; P103-L473 VanDerWaalsContact C-CD1 3.49Å; P103-L473 HydrophobicContact CB-CD1 4.08Å; P103-L473 WeakPolarHBondContact O-CD1 3.38Å
104K93.8Very high93.7Very high44 Ų4426.2 Ų26.219%0.19113%0.133CC..Hα-helixtrans-62.5-35.5176.4-172.360.8171.6-173.90112.9E14 Q40 V42 L102 Y107 L108 L473E14-K104 WeakPolarHBondContact OE1-CE 3.45Å; E14-K104 IonicContact OE1-NZ 3.03Å; E14-K104 PolarHBondContact OE1-NZ 3.25Å; E14-K104 IonicContact OE2-NZ 2.88Å; E14-K104 PolarHBondContact OE2-NZ 3.43Å; Q40-K104 WeakPolarHBondContact O-CE 3.4Å; Q40-K104 WeakPolarHBondContact O-CG 3.18Å; V42-K104 HydrophobicContact CG1-CB 4.31Å; V42-K104 HydrophobicContact CG1-CG 3.93Å; L102-K104 PolarHBondContact O-N 3.45Å; K104-Y107 HydrophobicContact CD-CD1 4.23Å; K104-Y107 PolarHBondContact O-N 3.26Å; K104-L108 HydrophobicContact CG-CD1 4.31Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.33Å; K104-L108 PolarHBondContact O-N 2.95Å; K104-L473 HydrophobicContact CB-CD1 4.4Å; K104-L473 HydrophobicContact CD-CD1 4.48Å; K104-L473 HydrophobicContact CD-CD2 4.09Å
105S95.5Very high93.7Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-68.4-39.2176.4-63.60000112.4E45 L102 P103 L108 L109E45-S105 WeakPolarHBondContact OE2-CB 3.48Å; E45-S105 PolarHBondContact OE2-OG 3.39Å; L102-S105 WeakPolarHBondContact O-CB 3.21Å; L102-S105 PolarHBondContact O-N 3.39Å; P103-S105 VanDerWaalsContact C-N 3.32Å; P103-S105 PolarHBondContact O-N 3.14Å; S105-L108 PolarHBondContact O-N 3.48Å; S105-L109 WeakPolarHBondContact O-CB 3.3Å; S105-L109 PolarHBondContact O-N 3.44Å
106H95.3Very high93.8Very high11 Ų1124.9 Ų24.95%0.05112%0.118CC..Hα-helixtrans-62.9-44.2172.8-76.8-77.3000111.6P96 L100 L102 P103 L108 L109 Y110 I199 V465 L470P96-H106 PolarHBondContact O-CE1 3.16Å; P96-H106 PolarHBondContact O-NE2 2.84Å; L100-H106 PolarHBondContact O-NE2 3.02Å; L102-H106 PolarHBondContact O-CD2 3.39Å; L102-H106 PolarHBondContact O-N 3.36Å; P103-H106 WeakPolarHBondContact O-CB 3.37Å; P103-H106 PolarHBondContact O-N 3.38Å; H106-L108 PolarHBondContact O-N 2.73Å; H106-L109 WeakPolarHBondContact O-CB 3.44Å; H106-L109 PolarHBondContact O-N 3.24Å; H106-Y110 PolarHBondContact O-N 2.63Å; H106-I199 HydrophobicContact CB-CD1 4.29Å; H106-I199 WeakPolarHBondContact O-CD1 3.41Å; H106-V465 HydrophobicContact CB-CG1 4.34Å; H106-V465 VanDerWaalsContact CE1-CG2 3.45Å; H106-V465 WeakPolarHBondContact CE1-CG2 3.41Å; H106-V465 WeakPolarHBondContact ND1-CG2 3.42Å; H106-L470 HydrophobicContact CB-CD1 4.5Å; H106-L470 HydrophobicContact CB-CD2 3.63Å
107Y94.8Very high93.9Very high32 Ų3225 Ų2513%0.12512%0.119CC..Hα-helixtrans-60-44.7175.8178.6-118.1000112.7E14 P103 K104 L109 Y110 H111 L473 F474E14-Y107 HydrophobicContact CB-CE1 4.46Å; E14-Y107 HydrophobicContact CG-CD1 4.41Å; E14-Y107 HydrophobicContact CG-CE1 3.83Å; E14-Y107 WeakPolarHBondContact OE1-CD1 3.29Å; E14-Y107 WeakPolarHBondContact OE1-CE1 3.46Å; P103-Y107 PolarHBondContact O-N 3.34Å; K104-Y107 HydrophobicContact CD-CD1 4.23Å; K104-Y107 PolarHBondContact O-N 3.26Å; Y107-L109 VanDerWaalsContact C-N 3.32Å; Y107-L109 PolarHBondContact O-N 3.45Å; Y107-Y110 WeakPolarHBondContact O-CB 3.35Å; Y107-Y110 PolarHBondContact O-N 3.34Å; Y107-H111 AromaticContact CE1-CD2 3.86Å; Y107-H111 AromaticContact CE1-NE2 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.71Å; Y107-H111 AromaticContact CE2-NE2 3.29Å; Y107-H111 VanDerWaalsContact CE2-NE2 3.29Å; Y107-H111 WeakPolarHBondContact CE2-NE2 3.31Å; Y107-H111 AromaticContact CZ-CD2 3.58Å; Y107-H111 AromaticContact CZ-NE2 3.07Å; Y107-H111 PolarHBondContact O-CD2 3.39Å; Y107-H111 PolarHBondContact O-N 3.33Å; Y107-H111 VanDerWaalsContact O-N 3.14Å; Y107-H111 PolarHBondContact OH-NE2 2.92Å; Y107-L473 HydrophobicContact CD1-CB 4.36Å; Y107-L473 HydrophobicContact CD1-CD1 4.4Å; Y107-L473 HydrophobicContact CD2-CB 4.24Å; Y107-L473 HydrophobicContact CG-CB 4.12Å; Y107-L473 HydrophobicContact CG-CD1 4.07Å; Y107-F474 HydrophobicContact CD2-CD1 4.47Å; Y107-F474 AromaticContact CD2-CE1 3.82Å; Y107-F474 HydrophobicContact CD2-CE1 3.82Å; Y107-F474 AromaticContact CD2-CE2 3.92Å; Y107-F474 HydrophobicContact CD2-CE2 3.92Å; Y107-F474 AromaticContact CD2-CZ 3.5Å; Y107-F474 HydrophobicContact CD2-CZ 3.5Å; Y107-F474 VanDerWaalsContact CD2-CZ 3.5Å; Y107-F474 AromaticContact CE2-CD1 3.91Å; Y107-F474 HydrophobicContact CE2-CD1 3.91Å; Y107-F474 AromaticContact CE2-CE1 3.43Å; Y107-F474 HydrophobicContact CE2-CE1 3.43Å; Y107-F474 VanDerWaalsContact CE2-CE1 3.43Å; Y107-F474 HydrophobicContact CE2-CE2 4.31Å; Y107-F474 AromaticContact CE2-CZ 3.66Å; Y107-F474 HydrophobicContact CE2-CZ 3.66Å
108L95.9Very high94Very high0 Ų024.3 Ų24.30%012%0.115CC..Hα-helixtrans-66.5-33.6175.2-69.1167.8000112.6L13 E14 V42 F49 F87 K104 S105 H106 H111 Q112L13-L108 HydrophobicContact CB-CD2 3.91Å; L13-L108 HydrophobicContact CD1-CB 4.05Å; L13-L108 HydrophobicContact CD1-CD2 4.09Å; E14-L108 HydrophobicContact CG-CD2 3.69Å; E14-L108 VanDerWaalsContact OE1-CD2 3.3Å; E14-L108 WeakPolarHBondContact OE1-CD2 3.4Å; V42-L108 HydrophobicContact CG1-CD1 3.64Å; V42-L108 HydrophobicContact CG2-CD1 4.46Å; F49-L108 HydrophobicContact CE1-CB 3.81Å; F49-L108 HydrophobicContact CE1-CD1 3.87Å; F49-L108 HydrophobicContact CZ-CB 4.21Å; F49-L108 HydrophobicContact CZ-CD1 3.94Å; F87-L108 HydrophobicContact CE1-CD1 4.18Å; K104-L108 HydrophobicContact CG-CD1 4.31Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.33Å; K104-L108 PolarHBondContact O-N 2.95Å; S105-L108 PolarHBondContact O-N 3.48Å; H106-L108 PolarHBondContact O-N 2.73Å; L108-H111 PolarHBondContact O-N 3.44Å; L108-Q112 WeakPolarHBondContact O-CB 3.46Å; L108-Q112 PolarHBondContact O-N 3.03Å
109L96.9Very high94.1Very high1 Ų122.8 Ų22.81%0.00511%0.108CC..Hα-helixtrans-65.1-43.7173.5179.362.4000111.3V89 Y92 P93 P96 L100 S105 H106 Y107 H111 Q112 L113 I199V89-L109 HydrophobicContact CG1-CD1 4.49Å; V89-L109 HydrophobicContact CG2-CD1 4.29Å; Y92-L109 HydrophobicContact CD1-CD1 4.23Å; Y92-L109 HydrophobicContact CE1-CD1 4.44Å; P93-L109 HydrophobicContact CG-CD2 3.95Å; P96-L109 HydrophobicContact CB-CD2 3.95Å; P96-L109 HydrophobicContact CG-CD2 4.02Å; L100-L109 HydrophobicContact CD1-CB 4.47Å; L100-L109 HydrophobicContact CD1-CD2 3.96Å; S105-L109 WeakPolarHBondContact O-CB 3.3Å; S105-L109 PolarHBondContact O-N 3.44Å; H106-L109 WeakPolarHBondContact O-CB 3.44Å; H106-L109 PolarHBondContact O-N 3.24Å; Y107-L109 VanDerWaalsContact C-N 3.32Å; Y107-L109 PolarHBondContact O-N 3.45Å; L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 PolarHBondContact O-N 2.74Å; L109-Q112 PolarHBondContact O-N 2.94Å; L109-L113 HydrophobicContact CD1-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CG 4.27Å; L109-L113 HydrophobicContact CG-CD1 4.02Å; L109-L113 HydrophobicContact CG-CG 4.47Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-I199 HydrophobicContact CD2-CG2 3.88Å
110Y95.8Very high94.2Very high1 Ų124.3 Ų24.30%0.00412%0.124CC..Hα-helixtrans-53.2-51.2172.3158.6-95000111.1H106 Y107 Q112 L113 R114 V139 A195 L198 F474H106-Y110 PolarHBondContact O-N 2.63Å; Y107-Y110 WeakPolarHBondContact O-CB 3.35Å; Y107-Y110 PolarHBondContact O-N 3.34Å; Y110-Q112 VanDerWaalsContact C-N 3.3Å; Y110-Q112 PolarHBondContact O-N 2.99Å; Y110-L113 PolarHBondContact O-N 3.44Å; Y110-R114 PolarHBondContact O-N 2.75Å; Y110-V139 HydrophobicContact CE1-CG1 3.98Å; Y110-V139 HydrophobicContact CE2-CB 4.37Å; Y110-V139 HydrophobicContact CE2-CG1 4.34Å; Y110-V139 HydrophobicContact CE2-CG2 4.02Å; Y110-V139 WeakPolarHBondContact OH-CB 3.5Å; Y110-V139 VanDerWaalsContact OH-CG1 3.26Å; Y110-V139 WeakPolarHBondContact OH-CG1 3.22Å; Y110-A195 HydrophobicContact CD2-CB 3.72Å; Y110-A195 HydrophobicContact CE2-CB 4.22Å; Y110-A195 HydrophobicContact CG-CB 4.02Å; Y110-L198 HydrophobicContact CD2-CD1 4.24Å; Y110-L198 HydrophobicContact CD2-CD2 4.17Å; Y110-L198 HydrophobicContact CE2-CD1 3.98Å; Y110-F474 HydrophobicContact CD1-CZ 4.37Å; Y110-F474 HydrophobicContact CE1-CE1 4.43Å
111H95.3Very high94.1Very high9 Ų925.7 Ų25.74%0.04213%0.129CC..Hα-helixtrans-60.8-39.1179.4-84.5-61.4000113.1L13 Y107 L108 L109 R115L13-H111 HydrophobicContact CB-CB 4.08Å; Y107-H111 AromaticContact CE1-CD2 3.86Å; Y107-H111 AromaticContact CE1-NE2 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.71Å; Y107-H111 AromaticContact CE2-NE2 3.29Å; Y107-H111 VanDerWaalsContact CE2-NE2 3.29Å; Y107-H111 WeakPolarHBondContact CE2-NE2 3.31Å; Y107-H111 AromaticContact CZ-CD2 3.58Å; Y107-H111 AromaticContact CZ-NE2 3.07Å; Y107-H111 PolarHBondContact O-CD2 3.39Å; Y107-H111 PolarHBondContact O-N 3.33Å; Y107-H111 VanDerWaalsContact O-N 3.14Å; Y107-H111 PolarHBondContact OH-NE2 2.92Å; L108-H111 PolarHBondContact O-N 3.44Å; L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 PolarHBondContact O-N 2.74Å; H111-R115 WeakPolarHBondContact O-CB 3.41Å; H111-R115 PolarHBondContact O-N 3.49Å; H111-R115 VanDerWaalsContact O-N 3.1Å
112Q96.3Very high94.2Very high3 Ų321.6 Ų21.61%0.01411%0.114CC..Hα-helixtrans-63.4-41.9174.2179.163.967.400111.9L13 R88 V89 Y92 L108 L109 Y110 R115 D116L13-Q112 HydrophobicContact CD2-CB 3.95Å; R88-Q112 VanDerWaalsContact CD-OE1 3.23Å; V89-Q112 HydrophobicContact CB-CB 4.37Å; V89-Q112 HydrophobicContact CB-CG 3.88Å; V89-Q112 HydrophobicContact CG2-CB 3.67Å; V89-Q112 HydrophobicContact CG2-CG 3.75Å; Y92-Q112 HydrophobicContact CE1-CG 4.18Å; Y92-Q112 WeakPolarHBondContact OH-CG 3.41Å; Y92-Q112 PolarHBondContact OH-NE2 2.86Å; L108-Q112 WeakPolarHBondContact O-CB 3.46Å; L108-Q112 PolarHBondContact O-N 3.03Å; L109-Q112 PolarHBondContact O-N 2.94Å; Y110-Q112 VanDerWaalsContact C-N 3.3Å; Y110-Q112 PolarHBondContact O-N 2.99Å; Q112-R115 PolarHBondContact O-N 2.99Å; Q112-D116 PolarHBondContact NE2-OD1 2.97Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.13Å; Q112-D116 VanDerWaalsContact O-CG 3.27Å; Q112-D116 PolarHBondContact O-N 2.89Å
113L96.4Very high94.2Very high1 Ų122.6 Ų22.61%0.00512%0.121CC..Hα-helixtrans-69.7-41.4179.8-68.1169.2000112.4Y92 L109 Y110 R115 D116 L117 L122 L198 I199 A202 Y208Y92-L113 HydrophobicContact CE1-CD2 4.02Å; L109-L113 HydrophobicContact CD1-CD1 4.27Å; L109-L113 HydrophobicContact CD1-CG 4.27Å; L109-L113 HydrophobicContact CG-CD1 4.02Å; L109-L113 HydrophobicContact CG-CG 4.47Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 3.34Å; Y110-L113 PolarHBondContact O-N 3.44Å; L113-R115 PolarHBondContact O-N 3.26Å; L113-D116 CarbonylContact O-C 3.6Å; L113-D116 PolarHBondContact O-N 3.37Å; L113-L117 PolarHBondContact O-N 3.46Å; L113-L122 HydrophobicContact CD2-CD1 4.38Å; L113-L198 HydrophobicContact CB-CD2 3.76Å; L113-L198 HydrophobicContact CD1-CD2 3.97Å; L113-I199 HydrophobicContact CD1-CG1 4.14Å; L113-A202 HydrophobicContact CD1-CB 3.81Å; L113-A202 HydrophobicContact CD2-CB 4.02Å; L113-A202 HydrophobicContact CG-CB 4.4Å; L113-Y208 HydrophobicContact CD1-CE2 4.23Å; L113-Y208 HydrophobicContact CD2-CD2 3.83Å; L113-Y208 HydrophobicContact CD2-CE2 3.62Å; L113-Y208 HydrophobicContact CG-CE2 4.46Å
114R94.6Very high94.1Very high37 Ų3722.2 Ų22.214%0.1412%0.118CC..Hα-helixtrans-52.3-45.8169.3175.2-179.8174.9-86.5-6.4110.7Y110 D116 L117 I118 V136 E140Y110-R114 PolarHBondContact O-N 2.75Å; R114-D116 PolarHBondContact O-N 3.3Å; R114-L117 WeakPolarHBondContact O-CB 3.31Å; R114-L117 PolarHBondContact O-N 2.87Å; R114-I118 HydrophobicContact CG-CD1 4.06Å; R114-I118 WeakPolarHBondContact O-CG1 3.39Å; R114-I118 PolarHBondContact O-N 2.94Å; R114-V136 HydrophobicContact CB-CG2 4.43Å; R114-V136 HydrophobicContact CG-CG1 3.96Å; R114-V136 HydrophobicContact CG-CG2 4.29Å; R114-E140 IonicContact CZ-OE1 2.75Å; R114-E140 IonicContact NE-OE1 3.65Å; R114-E140 PolarHBondContact NE-OE1 3.47Å
115R93.6Very high94Very high60 Ų6027 Ų2723%0.22614%0.141CC..Hα-helixtrans-68.6-33.2178.2-174.6-100-124.8-92.6112.5113.1H111 Q112 L113 L117 S119H111-R115 WeakPolarHBondContact O-CB 3.41Å; H111-R115 PolarHBondContact O-N 3.49Å; H111-R115 VanDerWaalsContact O-N 3.1Å; Q112-R115 PolarHBondContact O-N 2.99Å; L113-R115 PolarHBondContact O-N 3.26Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 3.49Å; R115-S119 PolarHBondContact O-OG 3.48Å
116D95Very high93.9Very high1 Ų130.9 Ų30.91%0.00517%0.165CC..Hα-helixtrans-69.9-31.2173.2-67.6-28.5000112Y92 Q112 L113 R114 S119 G120 R121 L122Y92-D116 PolarHBondContact OH-OD2 3.41Å; Q112-D116 PolarHBondContact NE2-OD1 2.97Å; Q112-D116 VanDerWaalsContact NE2-OD1 3.13Å; Q112-D116 VanDerWaalsContact O-CG 3.27Å; Q112-D116 PolarHBondContact O-N 2.89Å; L113-D116 CarbonylContact O-C 3.6Å; L113-D116 PolarHBondContact O-N 3.37Å; R114-D116 PolarHBondContact O-N 3.3Å; D116-S119 WeakPolarHBondContact CA-OG 3.37Å; D116-S119 PolarHBondContact O-OG 2.98Å; D116-G120 PolarHBondContact O-N 3.17Å; D116-R121 HydrophobicContact CB-CB 4.14Å; D116-R121 PolarHBondContact O-N 3.15Å; D116-R121 WeakPolarHBondContact OD1-CD 3.4Å; D116-R121 IonicContact OD1-NH1 2.69Å; D116-L122 HydrophobicContact CB-CD1 4.18Å; D116-L122 HydrophobicContact CB-CG 3.93Å; D116-L122 PolarHBondContact O-N 3.06Å
117L93.7Very high93.9Very high5 Ų535.3 Ų35.33%0.02619%0.189CC..Hα-helixtrans-66.8-52.7172.3-170.767.7000111.5L113 R114 R115 S119 G120 L122 L129 L132 V136 V167 L168L113-L117 PolarHBondContact O-N 3.46Å; R114-L117 WeakPolarHBondContact O-CB 3.31Å; R114-L117 PolarHBondContact O-N 2.87Å; R115-L117 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.24Å; L117-G120 PolarHBondContact O-N 3.5Å; L117-L122 HydrophobicContact CB-CD1 4.33Å; L117-L129 HydrophobicContact CD1-CD1 3.62Å; L117-L132 HydrophobicContact CD1-CB 4.37Å; L117-L132 HydrophobicContact CD2-CB 4.28Å; L117-V136 HydrophobicContact CD2-CG2 4.06Å; L117-V167 HydrophobicContact CD2-CG1 4.18Å; L117-L168 HydrophobicContact CD1-CD2 3.79Å; L117-L168 HydrophobicContact CD2-CD2 4.01Å; L117-L168 HydrophobicContact CG-CD2 3.7Å
118I92.6Very high93.9Very high50 Ų5035.5 Ų35.526%0.25619%0.194SC..Hα-helixtrans-60-36178.4-66.6165.8000111.5R114 G120 V167 H169R114-I118 HydrophobicContact CG-CD1 4.06Å; R114-I118 WeakPolarHBondContact O-CG1 3.39Å; R114-I118 PolarHBondContact O-N 2.94Å; I118-G120 VanDerWaalsContact C-N 3.29Å; I118-G120 PolarHBondContact O-N 3.03Å; I118-V167 VanDerWaalsContact CG1-O 3.31Å; I118-V167 WeakPolarHBondContact CG1-O 3.29Å; I118-H169 WeakPolarHBondContact O-CA 2.88Å; I118-H169 VanDerWaalsContact O-CB 3.3Å; I118-H169 WeakPolarHBondContact O-CB 2.98Å; I118-H169 PolarHBondContact O-N 3.44Å
119S91.4Very high93.8Very high50 Ų5037.2 Ų37.235%0.3520%0.202SC..THydrogen-bonded Turntrans-82.7-1.5178.562.10000114.6R115 D116 L117 R121R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 3.49Å; R115-S119 PolarHBondContact O-OG 3.48Å; D116-S119 WeakPolarHBondContact CA-OG 3.37Å; D116-S119 PolarHBondContact O-OG 2.98Å; L117-S119 PolarHBondContact O-N 3.24Å; S119-R121 VanDerWaalsContact C-N 3.32Å; S119-R121 PolarHBondContact O-N 3.32Å; S119-R121 WeakPolarHBondContact OG-CD 3.45Å; S119-R121 WeakPolarHBondContact OG-CG 3.36Å
120G92Very high93.8Very high34 Ų3437.7 Ų37.735%0.35121%0.205SC..THydrogen-bonded Turntrans71.122.9178.700000114.4D116 L117 I118D116-G120 PolarHBondContact O-N 3.17Å; L117-G120 PolarHBondContact O-N 3.5Å; I118-G120 VanDerWaalsContact C-N 3.29Å; I118-G120 PolarHBondContact O-N 3.03Å
121R92.4Very high93.9Very high34 Ų3440.2 Ų40.213%0.12822%0.215CC..  trans-82.1-32177.9-67.8172.1175.9-152.4-16.9112.7D116 S119 V123 D211D116-R121 HydrophobicContact CB-CB 4.14Å; D116-R121 PolarHBondContact O-N 3.15Å; D116-R121 WeakPolarHBondContact OD1-CD 3.4Å; D116-R121 IonicContact OD1-NH1 2.69Å; S119-R121 VanDerWaalsContact C-N 3.32Å; S119-R121 PolarHBondContact O-N 3.32Å; S119-R121 WeakPolarHBondContact OG-CD 3.45Å; S119-R121 WeakPolarHBondContact OG-CG 3.36Å; R121-V123 PolarHBondContact O-N 3.01Å; R121-D211 IonicContact CZ-OD1 3.28Å; R121-D211 IonicContact CZ-OD2 3.05Å; R121-D211 IonicContact NH1-OD2 3.42Å; R121-D211 IonicContact NH2-OD1 3.16Å; R121-D211 PolarHBondContact NH2-OD1 2.98Å; R121-D211 IonicContact NH2-OD2 3.05Å; R121-D211 PolarHBondContact NH2-OD2 3.39Å
122L92.9Very high93.9Very high8 Ų839.9 Ų39.94%0.04221%0.213CC..SBendtrans-79.596.9171.6-66.7176.5000108.4L113 D116 L117 L205L113-L122 HydrophobicContact CD2-CD1 4.38Å; D116-L122 HydrophobicContact CB-CD1 4.18Å; D116-L122 HydrophobicContact CB-CG 3.93Å; D116-L122 PolarHBondContact O-N 3.06Å; L117-L122 HydrophobicContact CB-CD1 4.33Å; L122-L205 HydrophobicContact CD2-CD1 4.23Å
123V90.5Very high93.9Very high50 Ų5039.8 Ų39.830%0.30321%0.213SC..  trans-98.9111.8-179.7-176.20000108.4R121 T207 N240R121-V123 PolarHBondContact O-N 3.01Å; V123-T207 HydrophobicContact CB-CG2 3.97Å; V123-T207 PolarHBondContact N-OG1 3Å; V123-T207 VanDerWaalsContact N-OG1 3.09Å; V123-T207 PolarHBondContact O-OG1 2.95Å; V123-N240 HydrophobicContact CG1-CB 3.51Å
124V90.9Very high93.9Very high35 Ų3539.7 Ų39.721%0.21221%0.213CC..  trans-138.5172.8-175.6-62.70000111.3V128 L129 L132 L205V124-V128 HydrophobicContact CB-CB 4.32Å; V124-V128 HydrophobicContact CB-CG1 4.43Å; V124-V128 HydrophobicContact CG2-CB 4.23Å; V124-V128 HydrophobicContact CG2-CG1 4.34Å; V124-L129 HydrophobicContact CG2-CB 3.75Å; V124-L129 HydrophobicContact CG2-CD1 3.91Å; V124-L129 HydrophobicContact CG2-CG 4.45Å; V124-L132 HydrophobicContact CG2-CD1 4.43Å; V124-L205 HydrophobicContact CB-CD2 4.48Å; V124-L205 HydrophobicContact CG1-CB 4.37Å; V124-L205 HydrophobicContact CG1-CD1 3.32Å; V124-L205 HydrophobicContact CG1-CD2 3.43Å; V124-L205 VanDerWaalsContact CG1-CD2 3.43Å; V124-L205 HydrophobicContact CG1-CG 3.84Å
125Q92.6Very high93.9Very high145 Ų14538 Ų3868%0.67821%0.206SC*.  trans-66.5154.3170.3-65.7177-39.700110.6D127 V128 L129Q125-D127 VanDerWaalsContact C-N 3.31Å; Q125-D127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-D127 PolarHBondContact O-N 3.38Å; Q125-V128 PolarHBondContact O-N 3.33Å; Q125-L129 WeakPolarHBondContact O-CB 3.4Å; Q125-L129 PolarHBondContact O-N 2.92Å
126T93Very high94Very high82 Ų8235.1 Ų35.150%0.50320%0.195SC..Hα-helixtrans-62-36.4-169.6-56.20000113.2L129 V130 L175T126-L129 WeakPolarHBondContact O-CB 3.26Å; T126-L129 PolarHBondContact O-N 3.12Å; T126-V130 HydrophobicContact CG2-CG2 4.32Å; T126-V130 WeakPolarHBondContact O-CB 3.46Å; T126-V130 WeakPolarHBondContact O-CG2 3.31Å; T126-V130 PolarHBondContact O-N 2.9Å; T126-L175 HydrophobicContact CG2-CD2 3.82Å
127D94.4Very high93.9Very high103 Ų10335 Ų3555%0.55120%0.195SC*.Hα-helixtrans-59.1-51.8175.458.4-44.7000111.9Q125 L129 V130 R131Q125-D127 VanDerWaalsContact C-N 3.31Å; Q125-D127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-D127 PolarHBondContact O-N 3.38Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.46Å; D127-V130 PolarHBondContact O-N 3.06Å; D127-R131 PolarHBondContact O-N 3.43Å
128V95.2Very high93.9Very high37 Ų3734.8 Ų34.822%0.22419%0.194CC..Hα-helixtrans-66.7-37.2177.5-176.20000111V124 Q125 V130 R131 L132 L205V124-V128 HydrophobicContact CB-CB 4.32Å; V124-V128 HydrophobicContact CB-CG1 4.43Å; V124-V128 HydrophobicContact CG2-CB 4.23Å; V124-V128 HydrophobicContact CG2-CG1 4.34Å; Q125-V128 PolarHBondContact O-N 3.33Å; V128-V130 VanDerWaalsContact C-N 3.33Å; V128-V130 PolarHBondContact O-N 3.48Å; V128-R131 PolarHBondContact O-N 3.06Å; V128-L132 HydrophobicContact CG1-CD1 4.08Å; V128-L132 HydrophobicContact CG1-CG 4.34Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.33Å; V128-L205 HydrophobicContact CG1-CD2 4.28Å
129L95.3Very high93.8Very high35 Ų3532.5 Ų32.518%0.18318%0.182CC..Hα-helixtrans-60.1-44.7176.2-169.768.7000111.6L117 V124 Q125 T126 D127 L132 A133 L168L117-L129 HydrophobicContact CD1-CD1 3.62Å; V124-L129 HydrophobicContact CG2-CB 3.75Å; V124-L129 HydrophobicContact CG2-CD1 3.91Å; V124-L129 HydrophobicContact CG2-CG 4.45Å; Q125-L129 WeakPolarHBondContact O-CB 3.4Å; Q125-L129 PolarHBondContact O-N 2.92Å; T126-L129 WeakPolarHBondContact O-CB 3.26Å; T126-L129 PolarHBondContact O-N 3.12Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.46Å; L129-L132 PolarHBondContact O-N 2.92Å; L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 3.27Å; L129-L168 HydrophobicContact CD1-CD2 3.85Å; L129-L168 HydrophobicContact CD2-CD1 4.04Å; L129-L168 HydrophobicContact CD2-CD2 4.49Å; L129-L168 HydrophobicContact CG-CD1 4.1Å; L129-L168 HydrophobicContact CG-CD2 4Å
130V95.9Very high93.7Very high11 Ų1131.8 Ų31.87%0.06717%0.173CC..Hα-helixtrans-64-44.7178.2166.60000110.3T126 D127 V128 A133 A134 L175 L178 I179 E182T126-V130 HydrophobicContact CG2-CG2 4.32Å; T126-V130 WeakPolarHBondContact O-CB 3.46Å; T126-V130 WeakPolarHBondContact O-CG2 3.31Å; T126-V130 PolarHBondContact O-N 2.9Å; D127-V130 PolarHBondContact O-N 3.06Å; V128-V130 VanDerWaalsContact C-N 3.33Å; V128-V130 PolarHBondContact O-N 3.48Å; V130-A133 PolarHBondContact O-N 3.41Å; V130-A134 WeakPolarHBondContact O-CB 3.38Å; V130-A134 PolarHBondContact O-N 3.43Å; V130-L175 HydrophobicContact CG2-CD2 4.32Å; V130-L178 HydrophobicContact CG1-CB 4.05Å; V130-L178 WeakPolarHBondContact CG1-O 3.41Å; V130-L178 HydrophobicContact CG2-CB 3.83Å; V130-L178 HydrophobicContact CG2-CD1 4.34Å; V130-I179 HydrophobicContact CG1-CG1 4.3Å; V130-I179 HydrophobicContact CG2-CG1 4.44Å; V130-E182 HydrophobicContact CG1-CB 3.8Å; V130-E182 HydrophobicContact CG1-CG 4.24Å
131R96.9Very high93.5Very high55 Ų5531.2 Ų31.221%0.20816%0.162CC..Hα-helixtrans-59.7-49.1175.7-174.967178.8176.76.5112.1D127 V128 A133 A134 L135 E182 E197 L201D127-R131 PolarHBondContact O-N 3.43Å; V128-R131 PolarHBondContact O-N 3.06Å; R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.35Å; R131-A134 PolarHBondContact O-N 3.27Å; R131-L135 HydrophobicContact CG-CD1 4.23Å; R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.42Å; R131-L135 PolarHBondContact O-N 3.45Å; R131-E182 WeakPolarHBondContact CD-OE1 3.13Å; R131-E182 IonicContact CZ-OE1 2.66Å; R131-E182 IonicContact NE-OE1 3.96Å; R131-E182 IonicContact NH1-OE1 3.56Å; R131-E182 PolarHBondContact NH1-OE1 2.88Å; R131-E197 IonicContact CZ-OE1 3.63Å; R131-E197 VanDerWaalsContact CZ-OE1 3.24Å; R131-E197 IonicContact CZ-OE2 3.81Å; R131-E197 IonicContact NE-OE1 3.3Å; R131-E197 PolarHBondContact NE-OE1 3Å; R131-E197 VanDerWaalsContact NH2-CD 3.27Å; R131-E197 IonicContact NH2-OE1 3.55Å; R131-E197 PolarHBondContact NH2-OE1 3.3Å; R131-E197 IonicContact NH2-OE2 2.94Å; R131-E197 PolarHBondContact NH2-OE2 2.93Å; R131-L201 HydrophobicContact CG-CD1 3.8Å
132L97Very high93.2Very high2 Ų229.6 Ų29.61%0.0116%0.156CC..Hα-helixtrans-59.6-41.3177.7-70.9169.6000111.9L117 V124 V128 L129 L135 V136 L198 L201 L205L117-L132 HydrophobicContact CD1-CB 4.37Å; L117-L132 HydrophobicContact CD2-CB 4.28Å; V124-L132 HydrophobicContact CG2-CD1 4.43Å; V128-L132 HydrophobicContact CG1-CD1 4.08Å; V128-L132 HydrophobicContact CG1-CG 4.34Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.37Å; V128-L132 PolarHBondContact O-N 3.33Å; L129-L132 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.15Å; L132-L198 HydrophobicContact CD2-CG 3.89Å; L132-L201 HydrophobicContact CD2-CB 3.97Å; L132-L201 HydrophobicContact CD2-CD1 4.46Å; L132-L205 HydrophobicContact CD1-CD1 4.19Å
133A95.5Very high92.9Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-66.1-44.5177.100000112L129 V130 R131 L135 V136 V137 V167 L168 I179L129-A133 WeakPolarHBondContact O-CB 3.41Å; L129-A133 PolarHBondContact O-N 3.27Å; V130-A133 PolarHBondContact O-N 3.41Å; R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.35Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.96Å; A133-V136 PolarHBondContact O-N 3.09Å; A133-V137 VanDerWaalsContact O-CG2 3.3Å; A133-V137 WeakPolarHBondContact O-CG2 3.39Å; A133-V137 PolarHBondContact O-N 3.46Å; A133-V167 HydrophobicContact CB-CB 4.46Å; A133-V167 HydrophobicContact CB-CG1 3.63Å; A133-L168 HydrophobicContact CB-CD1 4.3Å; A133-L168 HydrophobicContact CB-CD2 4.01Å; A133-L168 HydrophobicContact CB-CG 4.13Å; A133-I179 HydrophobicContact CB-CD1 3.72Å; A133-I179 HydrophobicContact CB-CG1 3.86Å; A133-I179 HydrophobicContact CB-CG2 4.34Å
134A95.5Very high92.4Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-60.4-39.2176.300000112V130 R131 V136 V137 Q138 I179 E182 H183 L186V130-A134 WeakPolarHBondContact O-CB 3.38Å; V130-A134 PolarHBondContact O-N 3.43Å; R131-A134 PolarHBondContact O-N 3.27Å; A134-V136 PolarHBondContact O-N 3.46Å; A134-V137 WeakPolarHBondContact O-CB 3.05Å; A134-V137 PolarHBondContact O-N 2.9Å; A134-Q138 PolarHBondContact O-N 3.17Å; A134-I179 HydrophobicContact CB-CG2 4.37Å; A134-E182 HydrophobicContact CB-CB 3.89Å; A134-E182 HydrophobicContact CB-CG 3.83Å; A134-H183 HydrophobicContact CB-CB 4.33Å; A134-L186 HydrophobicContact CB-CD1 3.87Å
135L96.5Very high91.7Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-63.2-40.8174.5-67.9167.6000112.3R131 L132 A133 V137 Q138 V139 L186 A194 E197 L198 L201R131-L135 HydrophobicContact CG-CD1 4.23Å; R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.42Å; R131-L135 PolarHBondContact O-N 3.45Å; L132-L135 PolarHBondContact O-N 3.37Å; A133-L135 VanDerWaalsContact C-N 3.3Å; A133-L135 PolarHBondContact O-N 2.96Å; L135-V137 VanDerWaalsContact C-N 3.34Å; L135-Q138 PolarHBondContact O-N 2.78Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.93Å; L135-L186 HydrophobicContact CD2-CD1 3.97Å; L135-L186 HydrophobicContact CD2-CD2 4.01Å; L135-L186 HydrophobicContact CG-CD1 4.37Å; L135-A194 HydrophobicContact CD2-CB 3.89Å; L135-E197 HydrophobicContact CD1-CB 4.17Å; L135-E197 HydrophobicContact CD1-CG 4.02Å; L135-E197 HydrophobicContact CD2-CB 4.24Å; L135-E197 HydrophobicContact CD2-CG 4.46Å; L135-L198 HydrophobicContact CB-CB 4.3Å; L135-L198 HydrophobicContact CB-CD1 4.29Å; L135-L198 HydrophobicContact CD1-CB 4.1Å; L135-L201 HydrophobicContact CD1-CD1 3.91Å
136V94.4Very high90.6Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-63.8-41.5174.1173.10000111.1R114 L117 L132 A133 A134 V139 E140 F165 V167 L198R114-V136 HydrophobicContact CB-CG2 4.43Å; R114-V136 HydrophobicContact CG-CG1 3.96Å; R114-V136 HydrophobicContact CG-CG2 4.29Å; L117-V136 HydrophobicContact CD2-CG2 4.06Å; L132-V136 WeakPolarHBondContact O-CG2 3.43Å; L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.15Å; A133-V136 PolarHBondContact O-N 3.09Å; A134-V136 PolarHBondContact O-N 3.46Å; V136-V139 PolarHBondContact O-N 3.21Å; V136-E140 HydrophobicContact CG1-CG 4.23Å; V136-E140 WeakPolarHBondContact O-CB 3.47Å; V136-E140 VanDerWaalsContact O-CG 3.31Å; V136-E140 WeakPolarHBondContact O-CG 3.3Å; V136-E140 PolarHBondContact O-N 3.28Å; V136-F165 HydrophobicContact CG1-CE1 4.39Å; V136-F165 HydrophobicContact CG1-CZ 4.42Å; V136-V167 HydrophobicContact CB-CG1 3.99Å; V136-V167 HydrophobicContact CG1-CG1 4.08Å; V136-L198 HydrophobicContact CG2-CD1 3.44Å; V136-L198 VanDerWaalsContact CG2-CD1 3.44Å
137V92.7Very high89.3Confident0 Ų022.8 Ų22.80%013%0.125CC..Hα-helixtrans-61.3-46.1176.61740000110.4A133 A134 L135 V139 E140 L141 G142 Y161 L162 F165 V167 I179 H183A133-V137 VanDerWaalsContact O-CG2 3.3Å; A133-V137 WeakPolarHBondContact O-CG2 3.39Å; A133-V137 PolarHBondContact O-N 3.46Å; A134-V137 WeakPolarHBondContact O-CB 3.05Å; A134-V137 PolarHBondContact O-N 2.9Å; L135-V137 VanDerWaalsContact C-N 3.34Å; V137-V139 VanDerWaalsContact C-N 3.31Å; V137-V139 PolarHBondContact O-N 3.31Å; V137-E140 PolarHBondContact O-N 3.32Å; V137-L141 HydrophobicContact CG1-CB 4.27Å; V137-L141 HydrophobicContact CG1-CD1 4.14Å; V137-L141 HydrophobicContact CG1-CG 4.44Å; V137-L141 WeakPolarHBondContact O-CA 3.33Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 PolarHBondContact O-N 2.94Å; V137-G142 PolarHBondContact O-N 2.84Å; V137-Y161 HydrophobicContact CG1-CE2 3.89Å; V137-L162 HydrophobicContact CG1-CD2 4.27Å; V137-L162 HydrophobicContact CG2-CD2 3.64Å; V137-F165 HydrophobicContact CG2-CD1 4.29Å; V137-F165 HydrophobicContact CG2-CE1 4.21Å; V137-V167 HydrophobicContact CG2-CG2 3.68Å; V137-I179 HydrophobicContact CG2-CG2 4.17Å; V137-H183 VanDerWaalsContact CG1-CE1 3.43Å; V137-H183 WeakPolarHBondContact CG1-CE1 3.37Å
138Q93.4Very high87.5Confident0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-60-40177.1-175.364.917.600112.2A134 L135 G142 D143 H183 L186 C189 A194A134-Q138 PolarHBondContact O-N 3.17Å; L135-Q138 PolarHBondContact O-N 2.78Å; Q138-G142 WeakPolarHBondContact O-CA 3.46Å; Q138-G142 PolarHBondContact O-N 3.47Å; Q138-G142 VanDerWaalsContact O-N 3.16Å; Q138-D143 PolarHBondContact NE2-OD1 2.87Å; Q138-H183 PolarHBondContact OE1-CD2 2.87Å; Q138-H183 VanDerWaalsContact OE1-CD2 3.26Å; Q138-H183 PolarHBondContact OE1-NE2 2.8Å; Q138-L186 HydrophobicContact CB-CB 4.41Å; Q138-L186 HydrophobicContact CB-CD1 4.02Å; Q138-L186 HydrophobicContact CG-CB 4.17Å; Q138-L186 PolarHBondContact NE2-O 2.99Å; Q138-C189 HydrophobicContact CG-CB 4.17Å; Q138-C189 PolarHBondContact NE2-O 2.9Å; Q138-A194 HydrophobicContact CB-CB 4.22Å; Q138-A194 HydrophobicContact CG-CB 4.08Å
139V91.9Very high85.3Confident1 Ų127 Ų271%0.00615%0.147CC..Hα-helixtrans-67.8-42.1177.9174.80000111.8Y110 L135 V136 V137 P191 A194 A195 F474 L477Y110-V139 HydrophobicContact CE1-CG1 3.98Å; Y110-V139 HydrophobicContact CE2-CB 4.37Å; Y110-V139 HydrophobicContact CE2-CG1 4.34Å; Y110-V139 HydrophobicContact CE2-CG2 4.02Å; Y110-V139 WeakPolarHBondContact OH-CB 3.5Å; Y110-V139 VanDerWaalsContact OH-CG1 3.26Å; Y110-V139 WeakPolarHBondContact OH-CG1 3.22Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.93Å; V136-V139 PolarHBondContact O-N 3.21Å; V137-V139 VanDerWaalsContact C-N 3.31Å; V137-V139 PolarHBondContact O-N 3.31Å; V139-P191 HydrophobicContact CB-CB 4.5Å; V139-P191 HydrophobicContact CG1-CB 4.28Å; V139-P191 HydrophobicContact CG2-CB 4.44Å; V139-P191 WeakPolarHBondContact CG2-O 3.48Å; V139-A194 HydrophobicContact CG2-CB 3.74Å; V139-A195 HydrophobicContact CG2-CB 4.22Å; V139-F474 HydrophobicContact CG1-CD1 4.07Å; V139-F474 HydrophobicContact CG1-CE1 3.51Å; V139-F474 HydrophobicContact CG1-CZ 4.31Å; V139-L477 VanDerWaalsContact O-CD1 3.24Å; V139-L477 WeakPolarHBondContact O-CD1 3.35Å
140E88.7Confident82.9Confident35 Ų3533 Ų3316%0.16418%0.179CC..Hα-helixtrans-91.5-44.8-169.2-65.8-79.1178.300112.3R114 V136 V137 F165 R481R114-E140 IonicContact CZ-OE1 2.75Å; R114-E140 IonicContact NE-OE1 3.65Å; R114-E140 PolarHBondContact NE-OE1 3.47Å; V136-E140 HydrophobicContact CG1-CG 4.23Å; V136-E140 WeakPolarHBondContact O-CB 3.47Å; V136-E140 VanDerWaalsContact O-CG 3.31Å; V136-E140 WeakPolarHBondContact O-CG 3.3Å; V136-E140 PolarHBondContact O-N 3.28Å; V137-E140 PolarHBondContact O-N 3.32Å; E140-F165 HydrophobicContact CB-CE1 4.28Å; E140-F165 HydrophobicContact CB-CE2 4.2Å; E140-F165 HydrophobicContact CB-CZ 3.6Å; E140-F165 HydrophobicContact CG-CZ 3.86Å; E140-R481 VanDerWaalsContact O-CD 3.24Å; E140-R481 WeakPolarHBondContact O-CD 3.42Å; E140-R481 PolarHBondContact O-NH1 2.69Å
141L87.3Confident80.4Confident23 Ų2342.2 Ų42.212%0.1222%0.221CC..Hα-helixtrans-98.7-16.5-177.6-57.4-171.8000113.1V137 Q147 Y161 F165 R481V137-L141 HydrophobicContact CG1-CB 4.27Å; V137-L141 HydrophobicContact CG1-CD1 4.14Å; V137-L141 HydrophobicContact CG1-CG 4.44Å; V137-L141 WeakPolarHBondContact O-CA 3.33Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 PolarHBondContact O-N 2.94Å; L141-Q147 PolarHBondContact O-NE2 2.93Å; L141-Y161 HydrophobicContact CD1-CD2 3.52Å; L141-Y161 HydrophobicContact CD1-CE2 4.11Å; L141-F165 HydrophobicContact CD1-CB 4.09Å; L141-F165 HydrophobicContact CD1-CD1 3.9Å; L141-F165 HydrophobicContact CD1-CG 4.01Å; L141-F165 HydrophobicContact CD2-CD2 4.32Å; L141-F165 HydrophobicContact CD2-CG 4.39Å; L141-F165 HydrophobicContact CG-CD1 4.23Å; L141-F165 HydrophobicContact CG-CE1 4.4Å; L141-F165 HydrophobicContact CG-CG 4.37Å; L141-R481 VanDerWaalsContact O-CB 3.25Å; L141-R481 WeakPolarHBondContact O-CB 3.35Å; L141-R481 WeakPolarHBondContact O-CG 3.45Å
142G87.7Confident77.8Confident0 Ų046.1 Ų46.10%025%0.251CS..  trans69-165.3-176.300000113.3V137 Q138 H183 R481 F482V137-G142 PolarHBondContact O-N 2.84Å; Q138-G142 WeakPolarHBondContact O-CA 3.46Å; Q138-G142 PolarHBondContact O-N 3.47Å; Q138-G142 VanDerWaalsContact O-N 3.16Å; G142-H183 PolarHBondContact O-CE1 3.16Å; G142-H183 VanDerWaalsContact O-CE1 3.22Å; G142-H183 PolarHBondContact O-NE2 3.01Å; G142-R481 CarbonylContact C-O 3.27Å; G142-R481 VanDerWaalsContact C-O 3.27Å; G142-R481 WeakPolarHBondContact CA-O 3.49Å; G142-F482 VanDerWaalsContact CA-CE1 3.49Å
143D85.9Confident75.3Confident0 Ų049.8 Ų49.80%028%0.277CS..  trans-61143.7-170.2-66.9-44.7000112.5Q138 S145 A146 Q147 N188 R481 S483Q138-D143 PolarHBondContact NE2-OD1 2.87Å; D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 3.46Å; D143-A146 PolarHBondContact O-N 3.41Å; D143-A146 VanDerWaalsContact O-N 3.14Å; D143-Q147 PolarHBondContact O-N 3.41Å; D143-N188 PolarHBondContact OD1-N 3.01Å; D143-R481 PolarHBondContact N-O 2.87Å; D143-S483 WeakPolarHBondContact OD2-CB 3.28Å; D143-S483 PolarHBondContact OD2-N 2.58Å; D143-S483 PolarHBondContact OD2-OG 3.02Å
144I80.1Confident73Confident31 Ų3153.4 Ų53.416%0.15931%0.307CS..G310 helixtrans-61.9-33.5177.5-164168.9000113.1A146 Q147 I180 E184I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 3.27Å; I144-Q147 WeakPolarHBondContact O-CB 3.35Å; I144-Q147 PolarHBondContact O-N 2.95Å; I144-I180 HydrophobicContact CD1-CG2 4.19Å; I144-E184 HydrophobicContact CD1-CG 3.61Å; I144-E184 HydrophobicContact CG2-CG 4.4Å
145S75.2Confident70.8Confident51 Ų5162.8 Ų62.836%0.35735%0.347SS..G310 helixtrans-65.5-30.8177.442.60000112.3D143 Q147 E187D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 3.46Å; S145-Q147 VanDerWaalsContact C-N 3.29Å; S145-E187 WeakPolarHBondContact CB-OE1 3.41Å; S145-E187 PolarHBondContact OG-OE1 3.19Å
146A70.2Confident68.6Low37 Ų3769.8 Ų69.831%0.30639%0.385SS..G310 helixtrans-78-14.5172.900000113.3D143 I144 R481D143-A146 PolarHBondContact O-N 3.41Å; D143-A146 VanDerWaalsContact O-N 3.14Å; I144-A146 VanDerWaalsContact C-N 3.27Å; I144-A146 PolarHBondContact O-N 3.27Å; A146-R481 VanDerWaalsContact CB-O 3.3Å; A146-R481 WeakPolarHBondContact CB-O 3.37Å
147Q65.2Low66.9Low58 Ų5873 Ų7327%0.27140%0.402SS..G310 helixtrans-88.6-0.8175.7-65.4-69.6-35.300112.9L141 D143 I144 S145 P149L141-Q147 PolarHBondContact O-NE2 2.93Å; D143-Q147 PolarHBondContact O-N 3.41Å; I144-Q147 WeakPolarHBondContact O-CB 3.35Å; I144-Q147 PolarHBondContact O-N 2.95Å; S145-Q147 VanDerWaalsContact C-N 3.29Å; Q147-P149 VanDerWaalsContact O-CD 3.24Å; Q147-P149 WeakPolarHBondContact O-CD 3.38Å
148E56.7Low65.2Low134 Ų13478.8 Ų78.863%0.62643%0.427SS*.  trans-65.4117.8179.8-167.6156.6-142.400110.4L150E148-L150 PolarHBondContact O-N 3.18Å
149P50.2Low63.7Low95 Ų9582.5 Ų82.562%0.61744%0.444SS*.  trans-64.6136.8179.8-20.432.8000110.9Q147 E151Q147-P149 VanDerWaalsContact O-CD 3.24Å; Q147-P149 WeakPolarHBondContact O-CD 3.38Å; P149-E151 PolarHBondContact O-N 3.12Å
150L43.1Very low62.6Low161 Ų16186.7 Ų86.784%0.84346%0.464SS*.  trans-32.598.7158.5-78.8156.2000111E148 T152E148-L150 PolarHBondContact O-N 3.18Å; L150-T152 PolarHBondContact O-N 3.43Å; L150-T152 PolarHBondContact O-OG1 3.49Å
151E43.8Very low62.2Low203 Ų20386.7 Ų86.795%0.94946%0.463SS*.SBendtrans10.916.9168.6-60.7-169.7150.100122.8P149P149-E151 PolarHBondContact O-N 3.12Å
152T43.3Very low62.1Low137 Ų13785.6 Ų85.684%0.8446%0.457SS*.  trans-128.26.7-167.938.20000116.9L150L150-T152 PolarHBondContact O-N 3.43Å; L150-T152 PolarHBondContact O-OG1 3.49Å
153S43.8Very low61.6Low80 Ų8092.2 Ų92.256%0.55948%0.482SS*.SBendtrans-131.7135.7163.4-1640000111.7D157S153-D157 PolarHBondContact OG-OD2 3.26Å
154A46.9Very low61.3Low75 Ų7599.6 Ų99.662%0.6252%0.517SS*.  trans-51.5147.3-165.100000114.9N156 D157A154-N156 PolarHBondContact O-N 3.33Å; A154-D157 PolarHBondContact O-N 3.25Å
155K50.8Low61.5Low197 Ų19799.8 Ų99.886%0.85752%0.516SS*.THydrogen-bonded Turntrans-39.1-13.8176-81.9-179.7172.9177.90118.1
156N48.9Very low62Low147 Ų147106.7 Ų106.779%0.78654%0.535SS*.THydrogen-bonded Turntrans-88.2-7.8179.3-71.9-13.4000114.2A154A154-N156 PolarHBondContact O-N 3.33Å
157D59.5Low62.8Low68 Ų68105 Ų10536%0.36452%0.52SS..  trans-92.28.5-175.1-112.4-15.8000115.2S153 A154 H159 Q160S153-D157 PolarHBondContact OG-OD2 3.26Å; A154-D157 PolarHBondContact O-N 3.25Å; D157-H159 PolarHBondContact O-N 2.8Å; D157-Q160 PolarHBondContact O-N 3.06Å
158K56.5Low64Low121 Ų121102.7 Ų102.753%0.52651%0.51SS..THydrogen-bonded Turntrans-53.3-16.2177.6-72.7-166.1174.8-162.50114.3Y161K158-Y161 WeakPolarHBondContact O-CD1 3.41Å; K158-Y161 WeakPolarHBondContact O-CE1 3.49Å
159H61.6Low65.4Low78 Ų78101.8 Ų101.836%0.36151%0.505SS..THydrogen-bonded Turntrans-91.8-2.7-178.6-58.7-74.5000114.9D157 Y161 I180D157-H159 PolarHBondContact O-N 2.8Å; H159-Y161 PolarHBondContact O-N 2.98Å; H159-I180 HydrophobicContact CB-CD1 3.96Å; H159-I180 WeakPolarHBondContact ND1-CD1 3.42Å
160Q70Confident67.1Low90 Ų90102.8 Ų102.842%0.42151%0.506SS..Hα-helixtrans-69.4-33.8-171.4-171172.6300113.9D157 L162 R163D157-Q160 PolarHBondContact O-N 3.06Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.23Å; Q160-R163 WeakPolarHBondContact O-CB 3.43Å; Q160-R163 PolarHBondContact O-N 2.85Å
161Y80.4Confident69.2Low34 Ų3497 Ų9713%0.13347%0.474CS..Hα-helixtrans-63.8-33.8-17270.1-94.4000113.8V137 L141 K158 H159 R163 E164 F165 I180 H183V137-Y161 HydrophobicContact CG1-CE2 3.89Å; L141-Y161 HydrophobicContact CD1-CD2 3.52Å; L141-Y161 HydrophobicContact CD1-CE2 4.11Å; K158-Y161 WeakPolarHBondContact O-CD1 3.41Å; K158-Y161 WeakPolarHBondContact O-CE1 3.49Å; H159-Y161 PolarHBondContact O-N 2.98Å; Y161-R163 VanDerWaalsContact C-N 3.31Å; Y161-R163 PolarHBondContact O-N 3.1Å; Y161-E164 PolarHBondContact O-N 3.48Å; Y161-F165 WeakPolarHBondContact O-CB 3.42Å; Y161-F165 PolarHBondContact O-N 3.06Å; Y161-I180 HydrophobicContact CE1-CD1 4.49Å; Y161-I180 HydrophobicContact CE1-CG1 4.32Å; Y161-H183 AromaticContact CZ-ND1 3.81Å; Y161-H183 PolarHBondContact OH-ND1 2.93Å
162L83.2Confident71.4Confident1 Ų190.8 Ų90.81%0.00545%0.45CS..Hα-helixtrans-73-22.9175-69.1-170.6000113.1V137 Q160 E164 F165 Q171 E176 I179 I180V137-L162 HydrophobicContact CG1-CD2 4.27Å; V137-L162 HydrophobicContact CG2-CD2 3.64Å; Q160-L162 VanDerWaalsContact C-N 3.33Å; Q160-L162 PolarHBondContact O-N 3.23Å; L162-E164 PolarHBondContact O-N 3.32Å; L162-F165 CarbonylContact O-C 3.56Å; L162-F165 PolarHBondContact O-N 3.29Å; L162-Q171 PolarHBondContact O-NE2 3.43Å; L162-E176 HydrophobicContact CB-CG 4.23Å; L162-E176 HydrophobicContact CD1-CB 4.17Å; L162-E176 HydrophobicContact CD1-CG 4.41Å; L162-I179 HydrophobicContact CD1-CB 3.9Å; L162-I179 HydrophobicContact CD1-CG2 3.72Å; L162-I180 HydrophobicContact CD1-CD1 3.93Å; L162-I180 HydrophobicContact CD1-CG1 3.56Å; L162-I180 HydrophobicContact CG-CD1 4.35Å; L162-I180 HydrophobicContact CG-CG1 4.18Å
163R78.8Confident73.6Confident139 Ų13990.1 Ų90.153%0.52544%0.437SS..Hα-helixtrans-65.7-30177.3-65.1-178.4169.5171.8-3.2111.6Q160 Y161 E173Q160-R163 WeakPolarHBondContact O-CB 3.43Å; Q160-R163 PolarHBondContact O-N 2.85Å; Y161-R163 VanDerWaalsContact C-N 3.31Å; Y161-R163 PolarHBondContact O-N 3.1Å; R163-E173 IonicContact NH2-OE1 2.98Å; R163-E173 PolarHBondContact NH2-OE1 3.45Å; R163-E173 VanDerWaalsContact NH2-OE1 3.12Å
164E79.3Confident75.8Confident155 Ų15595.8 Ų95.872%0.72445%0.447SS*.Hα-helixtrans-90.8-25.1177.2-63.7-179.7-171.100112.5Y161 L162Y161-E164 PolarHBondContact O-N 3.48Å; L162-E164 PolarHBondContact O-N 3.32Å
165F84.2Confident77.9Confident35 Ų3593.6 Ų93.615%0.15442%0.424CS..SBendtrans-104.5107.1-177.6-172.4-113.3000112.9V136 V137 E140 L141 Y161 L162 V167 Q171V136-F165 HydrophobicContact CG1-CE1 4.39Å; V136-F165 HydrophobicContact CG1-CZ 4.42Å; V137-F165 HydrophobicContact CG2-CD1 4.29Å; V137-F165 HydrophobicContact CG2-CE1 4.21Å; E140-F165 HydrophobicContact CB-CE1 4.28Å; E140-F165 HydrophobicContact CB-CE2 4.2Å; E140-F165 HydrophobicContact CB-CZ 3.6Å; E140-F165 HydrophobicContact CG-CZ 3.86Å; L141-F165 HydrophobicContact CD1-CB 4.09Å; L141-F165 HydrophobicContact CD1-CD1 3.9Å; L141-F165 HydrophobicContact CD1-CG 4.01Å; L141-F165 HydrophobicContact CD2-CD2 4.32Å; L141-F165 HydrophobicContact CD2-CG 4.39Å; L141-F165 HydrophobicContact CG-CD1 4.23Å; L141-F165 HydrophobicContact CG-CE1 4.4Å; L141-F165 HydrophobicContact CG-CG 4.37Å; Y161-F165 WeakPolarHBondContact O-CB 3.42Å; Y161-F165 PolarHBondContact O-N 3.06Å; L162-F165 CarbonylContact O-C 3.56Å; L162-F165 PolarHBondContact O-N 3.29Å; F165-V167 HydrophobicContact CD1-CG2 3.32Å; F165-V167 HydrophobicContact CE1-CG2 3.37Å; F165-V167 HydrophobicContact CG-CG2 4.43Å; F165-V167 HydrophobicContact CZ-CG2 4.48Å; F165-V167 PolarHBondContact O-N 2.87Å; F165-Q171 PolarHBondContact O-NE2 3.14Å; F165-Q171 PolarHBondContact O-OE1 3.06Å
166R86.4Confident79.9Confident196 Ų19685.2 Ų85.274%0.7439%0.388SS*.  trans-81.3111.8178.6-68.5-169.9-179.5-120.50.7112.3
167V86.9Confident81.9Confident1 Ų180.2 Ų80.21%0.00637%0.365CS..  trans-104.3-34.4178-170.80000112.3L117 I118 A133 V136 V137 F165L117-V167 HydrophobicContact CD2-CG1 4.18Å; I118-V167 VanDerWaalsContact CG1-O 3.31Å; I118-V167 WeakPolarHBondContact CG1-O 3.29Å; A133-V167 HydrophobicContact CB-CB 4.46Å; A133-V167 HydrophobicContact CB-CG1 3.63Å; V136-V167 HydrophobicContact CB-CG1 3.99Å; V136-V167 HydrophobicContact CG1-CG1 4.08Å; V137-V167 HydrophobicContact CG2-CG2 3.68Å; F165-V167 HydrophobicContact CD1-CG2 3.32Å; F165-V167 HydrophobicContact CE1-CG2 3.37Å; F165-V167 HydrophobicContact CG-CG2 4.43Å; F165-V167 HydrophobicContact CZ-CG2 4.48Å; F165-V167 PolarHBondContact O-N 2.87Å
168L89.4Confident83.6Confident9 Ų980 Ų805%0.04736%0.363CS..SBendtrans-118.6153.1-174.9-63.4-177.7000111.5L117 L129 A133 Q171 L175 I179L117-L168 HydrophobicContact CD1-CD2 3.79Å; L117-L168 HydrophobicContact CD2-CD2 4.01Å; L117-L168 HydrophobicContact CG-CD2 3.7Å; L129-L168 HydrophobicContact CD1-CD2 3.85Å; L129-L168 HydrophobicContact CD2-CD1 4.04Å; L129-L168 HydrophobicContact CD2-CD2 4.49Å; L129-L168 HydrophobicContact CG-CD1 4.1Å; L129-L168 HydrophobicContact CG-CD2 4Å; A133-L168 HydrophobicContact CB-CD1 4.3Å; A133-L168 HydrophobicContact CB-CD2 4.01Å; A133-L168 HydrophobicContact CB-CG 4.13Å; L168-Q171 HydrophobicContact CB-CB 4.33Å; L168-L175 HydrophobicContact CD1-CD1 4.26Å; L168-I179 HydrophobicContact CD1-CD1 3.87Å; L168-I179 HydrophobicContact CG-CD1 4.45Å
169H85.9Confident85.4Confident116 Ų11674.3 Ų74.354%0.53734%0.338SS..THydrogen-bonded Turntrans-59.3-49.2175.3-174.860.2000112.6I118I118-H169 WeakPolarHBondContact O-CA 2.88Å; I118-H169 VanDerWaalsContact O-CB 3.3Å; I118-H169 WeakPolarHBondContact O-CB 2.98Å; I118-H169 PolarHBondContact O-N 3.44Å
170N85.7Confident86.8Confident116 Ų11670.7 Ų70.762%0.6232%0.322SS*.THydrogen-bonded Turntrans-112.966.1179.5-71.6-12.1000109.9T172 L175N170-T172 PolarHBondContact O-N 3.33Å; N170-L175 WeakPolarHBondContact O-CD1 3.35Å
171Q88Confident87.9Confident40 Ų4072.7 Ų72.719%0.18733%0.329CS..  trans-72.9117.5177.5-163.9170.3-47.200109.7L162 F165 L168 E176L162-Q171 PolarHBondContact O-NE2 3.43Å; F165-Q171 PolarHBondContact O-NE2 3.14Å; F165-Q171 PolarHBondContact O-OE1 3.06Å; L168-Q171 HydrophobicContact CB-CB 4.33Å; Q171-E176 HydrophobicContact CG-CG 3.64Å; Q171-E176 WeakPolarHBondContact CG-OE1 3.49Å; Q171-E176 PolarHBondContact NE2-OE1 2.93Å
172T89.9Confident88.6Confident72 Ų7272.8 Ų72.844%0.44233%0.331SS..  trans-116.2154.7177.660.40000108.8N170 R174 L175 E176N170-T172 PolarHBondContact O-N 3.33Å; T172-R174 PolarHBondContact O-N 3.21Å; T172-R174 VanDerWaalsContact O-N 3.13Å; T172-L175 CarbonylContact O-C 3.6Å; T172-L175 WeakPolarHBondContact O-CA 3.48Å; T172-L175 WeakPolarHBondContact O-CB 3.3Å; T172-L175 PolarHBondContact O-N 3.48Å; T172-L175 WeakPolarHBondContact OG1-CG 3.46Å; T172-L175 PolarHBondContact OG1-N 3.5Å; T172-E176 WeakPolarHBondContact O-CG 3.22Å; T172-E176 PolarHBondContact O-N 3.23Å
173E88.9Confident89Confident122 Ų12272.7 Ų72.757%0.5733%0.33SS*.Hα-helixtrans-55.8-33.8179.2-174.7168.8-13900112.9R163 E176 S177R163-E173 IonicContact NH2-OE1 2.98Å; R163-E173 PolarHBondContact NH2-OE1 3.45Å; R163-E173 VanDerWaalsContact NH2-OE1 3.12Å; E173-E176 PolarHBondContact O-N 3.27Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.26Å; E173-S177 PolarHBondContact O-OG 2.97Å
174R90.7Very high89.7Confident200 Ų20070.5 Ų70.576%0.75533%0.326SS*.Hα-helixtrans-63.1-44.2172.5-177.9-178.9176.1115.30.6112T172 L178T172-R174 PolarHBondContact O-N 3.21Å; T172-R174 VanDerWaalsContact O-N 3.13Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å; R174-L178 PolarHBondContact O-N 2.97Å
175L92Very high90.3Very high29 Ų2969.9 Ų69.915%0.15232%0.321CS..Hα-helixtrans-68.8-41.1177.4-73.2172.5000111T126 V130 L168 N170 T172 S177 L178 I179T126-L175 HydrophobicContact CG2-CD2 3.82Å; V130-L175 HydrophobicContact CG2-CD2 4.32Å; L168-L175 HydrophobicContact CD1-CD1 4.26Å; N170-L175 WeakPolarHBondContact O-CD1 3.35Å; T172-L175 CarbonylContact O-C 3.6Å; T172-L175 WeakPolarHBondContact O-CA 3.48Å; T172-L175 WeakPolarHBondContact O-CB 3.3Å; T172-L175 PolarHBondContact O-N 3.48Å; T172-L175 WeakPolarHBondContact OG1-CG 3.46Å; T172-L175 PolarHBondContact OG1-N 3.5Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.38Å; L175-L178 PolarHBondContact O-N 3.19Å; L175-L178 VanDerWaalsContact O-N 3.08Å; L175-I179 VanDerWaalsContact O-CG1 3.23Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 2.96Å
176E91.9Very high90.7Very high21 Ų2168.5 Ų68.510%0.09832%0.315CS..Hα-helixtrans-56.6-46.4175.7-68.9172.5171.600111.1L162 Q171 T172 E173 L178 I179 I180L162-E176 HydrophobicContact CB-CG 4.23Å; L162-E176 HydrophobicContact CD1-CB 4.17Å; L162-E176 HydrophobicContact CD1-CG 4.41Å; Q171-E176 HydrophobicContact CG-CG 3.64Å; Q171-E176 WeakPolarHBondContact CG-OE1 3.49Å; Q171-E176 PolarHBondContact NE2-OE1 2.93Å; T172-E176 WeakPolarHBondContact O-CG 3.22Å; T172-E176 PolarHBondContact O-N 3.23Å; E173-E176 PolarHBondContact O-N 3.27Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.04Å; E176-I179 PolarHBondContact O-N 3.4Å; E176-I180 VanDerWaalsContact O-CG1 3.26Å; E176-I180 WeakPolarHBondContact O-CG1 3.41Å; E176-I180 PolarHBondContact O-N 3.23Å
177S91.1Very high90.8Very high42 Ų4263.8 Ų63.829%0.29430%0.301SS..Hα-helixtrans-59.7-35.3176.4-59.10000113.1E173 L175 K181E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.26Å; E173-S177 PolarHBondContact O-OG 2.97Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 3.38Å; S177-K181 WeakPolarHBondContact O-CG 3.48Å; S177-K181 PolarHBondContact O-N 2.93Å
178L94.2Very high90.8Very high64 Ų6466.1 Ų66.134%0.33531%0.314SS..Hα-helixtrans-75.3-39.6176.6-67.8172.7000111.8V130 R174 L175 E176 I180 K181 E182V130-L178 HydrophobicContact CG1-CB 4.05Å; V130-L178 WeakPolarHBondContact CG1-O 3.41Å; V130-L178 HydrophobicContact CG2-CB 3.83Å; V130-L178 HydrophobicContact CG2-CD1 4.34Å; R174-L178 WeakPolarHBondContact O-CG 3.39Å; R174-L178 PolarHBondContact O-N 2.97Å; L175-L178 PolarHBondContact O-N 3.19Å; L175-L178 VanDerWaalsContact O-N 3.08Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.04Å; L178-I180 VanDerWaalsContact C-N 3.32Å; L178-K181 PolarHBondContact O-N 2.95Å; L178-E182 PolarHBondContact O-N 2.59Å; L178-E182 VanDerWaalsContact O-N 3.1Å
179I94.1Very high90.9Very high0 Ų066.5 Ų66.50%032%0.317CS..Hα-helixtrans-62.3-42.3176.6-66.4163000110.1V130 A133 A134 V137 L162 L168 L175 E176 E182 H183V130-I179 HydrophobicContact CG1-CG1 4.3Å; V130-I179 HydrophobicContact CG2-CG1 4.44Å; A133-I179 HydrophobicContact CB-CD1 3.72Å; A133-I179 HydrophobicContact CB-CG1 3.86Å; A133-I179 HydrophobicContact CB-CG2 4.34Å; A134-I179 HydrophobicContact CB-CG2 4.37Å; V137-I179 HydrophobicContact CG2-CG2 4.17Å; L162-I179 HydrophobicContact CD1-CB 3.9Å; L162-I179 HydrophobicContact CD1-CG2 3.72Å; L168-I179 HydrophobicContact CD1-CD1 3.87Å; L168-I179 HydrophobicContact CG-CD1 4.45Å; L175-I179 VanDerWaalsContact O-CG1 3.23Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 2.96Å; E176-I179 PolarHBondContact O-N 3.4Å; I179-E182 PolarHBondContact O-N 2.77Å; I179-H183 VanDerWaalsContact O-CB 3.25Å; I179-H183 WeakPolarHBondContact O-CB 3.4Å; I179-H183 PolarHBondContact O-N 2.79Å
180I91.9Very high91.1Very high2 Ų261 Ų611%0.0129%0.292CS..Hα-helixtrans-62.5-46.8179.3-69.3165.2000110.9I144 H159 Y161 L162 E176 L178 E182 H183 E184I144-I180 HydrophobicContact CD1-CG2 4.19Å; H159-I180 HydrophobicContact CB-CD1 3.96Å; H159-I180 WeakPolarHBondContact ND1-CD1 3.42Å; Y161-I180 HydrophobicContact CE1-CD1 4.49Å; Y161-I180 HydrophobicContact CE1-CG1 4.32Å; L162-I180 HydrophobicContact CD1-CD1 3.93Å; L162-I180 HydrophobicContact CD1-CG1 3.56Å; L162-I180 HydrophobicContact CG-CD1 4.35Å; L162-I180 HydrophobicContact CG-CG1 4.18Å; E176-I180 VanDerWaalsContact O-CG1 3.26Å; E176-I180 WeakPolarHBondContact O-CG1 3.41Å; E176-I180 PolarHBondContact O-N 3.23Å; L178-I180 VanDerWaalsContact C-N 3.32Å; I180-E182 PolarHBondContact O-N 3.34Å; I180-H183 WeakPolarHBondContact O-CB 3.42Å; I180-H183 PolarHBondContact O-N 3.46Å; I180-H183 VanDerWaalsContact O-N 3.16Å; I180-E184 WeakPolarHBondContact O-CG 3.22Å; I180-E184 PolarHBondContact O-N 3.02Å
181K92.8Very high91.4Very high132 Ų13255.5 Ų55.557%0.57426%0.262SS*.Hα-helixtrans-61.2-31176-71.8178.1-179.6-172.30113.5S177 L178S177-K181 WeakPolarHBondContact O-CG 3.48Å; S177-K181 PolarHBondContact O-N 2.93Å; L178-K181 PolarHBondContact O-N 2.95Å
182E94.5Very high91.6Very high36 Ų3653.7 Ų53.717%0.16825%0.254CS..Hα-helixtrans-81.5-34.3177.1-167.959.5-155.700111.5V130 R131 A134 L178 I179 I180 K185V130-E182 HydrophobicContact CG1-CB 3.8Å; V130-E182 HydrophobicContact CG1-CG 4.24Å; R131-E182 WeakPolarHBondContact CD-OE1 3.13Å; R131-E182 IonicContact CZ-OE1 2.66Å; R131-E182 IonicContact NE-OE1 3.96Å; R131-E182 IonicContact NH1-OE1 3.56Å; R131-E182 PolarHBondContact NH1-OE1 2.88Å; A134-E182 HydrophobicContact CB-CB 3.89Å; A134-E182 HydrophobicContact CB-CG 3.83Å; L178-E182 PolarHBondContact O-N 2.59Å; L178-E182 VanDerWaalsContact O-N 3.1Å; I179-E182 PolarHBondContact O-N 2.77Å; I180-E182 PolarHBondContact O-N 3.34Å; E182-K185 WeakPolarHBondContact O-CB 3.32Å; E182-K185 PolarHBondContact O-N 3.41Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.88Å
183H93.3Very high91.7Very high0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-66.3-36.9174.5-176.8-145.1000112A134 V137 Q138 G142 Y161 I179 I180 K185 L186A134-H183 HydrophobicContact CB-CB 4.33Å; V137-H183 VanDerWaalsContact CG1-CE1 3.43Å; V137-H183 WeakPolarHBondContact CG1-CE1 3.37Å; Q138-H183 PolarHBondContact OE1-CD2 2.87Å; Q138-H183 VanDerWaalsContact OE1-CD2 3.26Å; Q138-H183 PolarHBondContact OE1-NE2 2.8Å; G142-H183 PolarHBondContact O-CE1 3.16Å; G142-H183 VanDerWaalsContact O-CE1 3.22Å; G142-H183 PolarHBondContact O-NE2 3.01Å; Y161-H183 AromaticContact CZ-ND1 3.81Å; Y161-H183 PolarHBondContact OH-ND1 2.93Å; I179-H183 VanDerWaalsContact O-CB 3.25Å; I179-H183 WeakPolarHBondContact O-CB 3.4Å; I179-H183 PolarHBondContact O-N 2.79Å; I180-H183 WeakPolarHBondContact O-CB 3.42Å; I180-H183 PolarHBondContact O-N 3.46Å; I180-H183 VanDerWaalsContact O-N 3.16Å; H183-K185 PolarHBondContact O-N 2.75Å; H183-K185 VanDerWaalsContact O-N 3.14Å; H183-L186 WeakPolarHBondContact O-CB 3.3Å; H183-L186 PolarHBondContact O-N 2.97Å
184E91.8Very high92Very high92 Ų9246.5 Ų46.543%0.4322%0.216SC..G310 helixtrans-55.3-29.2171.8-76169.1177.400112.9I144 I180 L186I144-E184 HydrophobicContact CD1-CG 3.61Å; I144-E184 HydrophobicContact CG2-CG 4.4Å; I180-E184 WeakPolarHBondContact O-CG 3.22Å; I180-E184 PolarHBondContact O-N 3.02Å; E184-L186 VanDerWaalsContact C-N 3.3Å
185K93.4Very high92.2Very high143 Ų14337 Ų3762%0.62218%0.18SC*.G310 helixtrans-81.9-9177.6-55.2174.3-169.3164.90113.5E182 H183E182-K185 WeakPolarHBondContact O-CB 3.32Å; E182-K185 PolarHBondContact O-N 3.41Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.88Å; H183-K185 PolarHBondContact O-N 2.75Å; H183-K185 VanDerWaalsContact O-N 3.14Å
186L92.5Very high92.3Very high5 Ų535.9 Ų35.93%0.02617%0.174CC..G310 helixtrans-96.610.7-179.2-66175.8000112.4A134 L135 Q138 H183 E184 N188 C189A134-L186 HydrophobicContact CB-CD1 3.87Å; L135-L186 HydrophobicContact CD2-CD1 3.97Å; L135-L186 HydrophobicContact CD2-CD2 4.01Å; L135-L186 HydrophobicContact CG-CD1 4.37Å; Q138-L186 HydrophobicContact CB-CB 4.41Å; Q138-L186 HydrophobicContact CB-CD1 4.02Å; Q138-L186 HydrophobicContact CG-CB 4.17Å; Q138-L186 PolarHBondContact NE2-O 2.99Å; H183-L186 WeakPolarHBondContact O-CB 3.3Å; H183-L186 PolarHBondContact O-N 2.97Å; E184-L186 VanDerWaalsContact C-N 3.3Å; L186-N188 PolarHBondContact O-N 3.22Å; L186-C189 HydrophobicContact CB-CB 4.31Å; L186-C189 WeakPolarHBondContact O-CB 3.48Å; L186-C189 PolarHBondContact O-N 3.07Å
187E88.3Confident92.5Very high97 Ų9737.5 Ų37.545%0.45318%0.182SC..THydrogen-bonded Turntrans-53.7138.4175.4-174.1162.2-139.400111.3S145 C189S145-E187 WeakPolarHBondContact CB-OE1 3.41Å; S145-E187 PolarHBondContact OG-OE1 3.19Å; E187-C189 PolarHBondContact O-N 3.37Å; E187-C189 VanDerWaalsContact O-N 3.14Å
188N87.4Confident92.8Very high50 Ų5035.7 Ų35.727%0.26717%0.169SC..THydrogen-bonded Turntrans65.56-176.2-60.2-35.1000114.9D143 L186 L190 S483 E485D143-N188 PolarHBondContact OD1-N 3.01Å; L186-N188 PolarHBondContact O-N 3.22Å; N188-L190 PolarHBondContact O-N 3.31Å; N188-S483 PolarHBondContact OD1-OG 3.49Å; N188-E485 PolarHBondContact ND2-OE2 3.46Å
189C90.5Very high92.9Very high17 Ų1732.7 Ų32.712%0.11515%0.153CC..  trans-75.7124.1174.9-172.70000110.1Q138 L186 E187Q138-C189 HydrophobicContact CG-CB 4.17Å; Q138-C189 PolarHBondContact NE2-O 2.9Å; L186-C189 HydrophobicContact CB-CB 4.31Å; L186-C189 WeakPolarHBondContact O-CB 3.48Å; L186-C189 PolarHBondContact O-N 3.07Å; E187-C189 PolarHBondContact O-N 3.37Å; E187-C189 VanDerWaalsContact O-N 3.14Å
190L90.5Very high92.9Very high1 Ų136 Ų361%0.00517%0.168CC..  trans-67.5147.5178.2-64.9175.7000110.6N188 S192 E193 A194 A486 R489 Q490 I493N188-L190 PolarHBondContact O-N 3.31Å; L190-S192 PolarHBondContact O-N 3.37Å; L190-S192 VanDerWaalsContact O-N 3.12Å; L190-E193 HydrophobicContact CB-CB 4.31Å; L190-E193 HydrophobicContact CB-CG 4.03Å; L190-E193 PolarHBondContact N-OE2 3.21Å; L190-E193 WeakPolarHBondContact O-CA 3.34Å; L190-E193 WeakPolarHBondContact O-CB 3.25Å; L190-E193 PolarHBondContact O-N 3.5Å; L190-A194 PolarHBondContact O-N 2.87Å; L190-A486 HydrophobicContact CD2-CB 4.29Å; L190-A486 WeakPolarHBondContact CD2-O 3.08Å; L190-R489 HydrophobicContact CD1-CG 4.28Å; L190-Q490 HydrophobicContact CD2-CB 4.02Å; L190-I493 HydrophobicContact CD1-CD1 3.5Å
191P91.1Very high93.1Very high1 Ų138 Ų381%0.00618%0.179CC..Hα-helixtrans-57.7-31.917622.7-33.4000111.9V139 A195 F474 L477 F482V139-P191 HydrophobicContact CB-CB 4.5Å; V139-P191 HydrophobicContact CG1-CB 4.28Å; V139-P191 HydrophobicContact CG2-CB 4.44Å; V139-P191 WeakPolarHBondContact CG2-O 3.48Å; P191-A195 WeakPolarHBondContact O-CB 3.27Å; P191-A195 PolarHBondContact O-N 3.44Å; P191-F474 HydrophobicContact CB-CB 4.21Å; P191-F474 HydrophobicContact CB-CD1 4.15Å; P191-F474 HydrophobicContact CB-CG 4.11Å; P191-F474 HydrophobicContact CG-CB 3.91Å; P191-F474 HydrophobicContact CG-CG 4.34Å; P191-L477 HydrophobicContact CB-CD1 3.93Å; P191-L477 HydrophobicContact CG-CD1 4.16Å; P191-F482 HydrophobicContact CB-CE1 4.29Å; P191-F482 HydrophobicContact CB-CZ 4.01Å; P191-F482 HydrophobicContact CG-CE1 4.07Å; P191-F482 HydrophobicContact CG-CE2 4.48Å; P191-F482 HydrophobicContact CG-CZ 3.79Å
192S92.3Very high93.3Very high2 Ų231.7 Ų31.71%0.01415%0.151CC..Hα-helixtrans-69.2-33.5174.558.20000114.1L190 S196 S467 V471L190-S192 PolarHBondContact O-N 3.37Å; L190-S192 VanDerWaalsContact O-N 3.12Å; S192-S196 WeakPolarHBondContact O-CB 3.33Å; S192-S196 PolarHBondContact O-N 2.69Å; S192-S196 VanDerWaalsContact O-N 3.12Å; S192-S467 VanDerWaalsContact CB-O 3.22Å; S192-S467 WeakPolarHBondContact CB-O 3.3Å; S192-S467 PolarHBondContact OG-O 3.27Å; S192-V471 VanDerWaalsContact OG-CG2 3.22Å; S192-V471 WeakPolarHBondContact OG-CG2 3.41Å
193E93.3Very high93.3Very high43 Ų4331.2 Ų31.220%0.20115%0.152CC..Hα-helixtrans-71.9-48175.4-69.6176.7152.100109.9L190 A195 S196 E197 R489L190-E193 HydrophobicContact CB-CB 4.31Å; L190-E193 HydrophobicContact CB-CG 4.03Å; L190-E193 PolarHBondContact N-OE2 3.21Å; L190-E193 WeakPolarHBondContact O-CA 3.34Å; L190-E193 WeakPolarHBondContact O-CB 3.25Å; L190-E193 PolarHBondContact O-N 3.5Å; E193-A195 VanDerWaalsContact C-N 3.34Å; E193-A195 PolarHBondContact O-N 3.47Å; E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 3.4Å; E193-E197 PolarHBondContact O-N 3.09Å; E193-R489 IonicContact OE1-CZ 2.72Å; E193-R489 IonicContact OE1-NH1 2.74Å; E193-R489 PolarHBondContact OE1-NH1 2.91Å; E193-R489 IonicContact OE1-NH2 3.12Å; E193-R489 PolarHBondContact OE1-NH2 2.87Å; E193-R489 IonicContact OE2-CZ 3.14Å; E193-R489 IonicContact OE2-NH1 3.67Å; E193-R489 PolarHBondContact OE2-NH1 2.96Å
194A94.5Very high93.3Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-60.2-42.8177.100000112.2L135 Q138 V139 L190 E197 L198L135-A194 HydrophobicContact CD2-CB 3.89Å; Q138-A194 HydrophobicContact CB-CB 4.22Å; Q138-A194 HydrophobicContact CG-CB 4.08Å; V139-A194 HydrophobicContact CG2-CB 3.74Å; L190-A194 PolarHBondContact O-N 2.87Å; A194-E197 PolarHBondContact O-N 3.23Å; A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 3.02Å
195A94.7Very high93.5Very high1 Ų132.6 Ų32.61%0.00817%0.169CC..Hα-helixtrans-64.8-40.4175.700000112.6Y110 V139 P191 E193 L198 I199 F474Y110-A195 HydrophobicContact CD2-CB 3.72Å; Y110-A195 HydrophobicContact CE2-CB 4.22Å; Y110-A195 HydrophobicContact CG-CB 4.02Å; V139-A195 HydrophobicContact CG2-CB 4.22Å; P191-A195 WeakPolarHBondContact O-CB 3.27Å; P191-A195 PolarHBondContact O-N 3.44Å; E193-A195 VanDerWaalsContact C-N 3.34Å; E193-A195 PolarHBondContact O-N 3.47Å; A195-L198 PolarHBondContact O-N 2.67Å; A195-I199 VanDerWaalsContact O-CG1 3.3Å; A195-I199 WeakPolarHBondContact O-CG1 3.29Å; A195-I199 PolarHBondContact O-N 3.26Å; A195-F474 HydrophobicContact CB-CE2 3.91Å; A195-F474 HydrophobicContact CB-CZ 3.55Å
196S95Very high93.4Very high4 Ų430 Ų303%0.02816%0.16CC..Hα-helixtrans-63.6-45.8176.31780000111.7S192 E193 L198 I199 H200 V465S192-S196 WeakPolarHBondContact O-CB 3.33Å; S192-S196 PolarHBondContact O-N 2.69Å; S192-S196 VanDerWaalsContact O-N 3.12Å; E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 3.4Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.76Å; S196-I199 PolarHBondContact O-N 3.13Å; S196-H200 PolarHBondContact O-N 3.02Å; S196-V465 WeakPolarHBondContact OG-CB 3.01Å; S196-V465 PolarHBondContact OG-N 2.91Å; S196-V465 PolarHBondContact OG-O 2.98Å
197E95.6Very high93.6Very high56 Ų5630.3 Ų30.326%0.26216%0.162SC..Hα-helixtrans-61-43.6176.1-169.8-173.3151.800111.1R131 L135 E193 A194 I199 H200 L201R131-E197 IonicContact CZ-OE1 3.63Å; R131-E197 VanDerWaalsContact CZ-OE1 3.24Å; R131-E197 IonicContact CZ-OE2 3.81Å; R131-E197 IonicContact NE-OE1 3.3Å; R131-E197 PolarHBondContact NE-OE1 3Å; R131-E197 VanDerWaalsContact NH2-CD 3.27Å; R131-E197 IonicContact NH2-OE1 3.55Å; R131-E197 PolarHBondContact NH2-OE1 3.3Å; R131-E197 IonicContact NH2-OE2 2.94Å; R131-E197 PolarHBondContact NH2-OE2 2.93Å; L135-E197 HydrophobicContact CD1-CB 4.17Å; L135-E197 HydrophobicContact CD1-CG 4.02Å; L135-E197 HydrophobicContact CD2-CB 4.24Å; L135-E197 HydrophobicContact CD2-CG 4.46Å; E193-E197 PolarHBondContact O-N 3.09Å; A194-E197 PolarHBondContact O-N 3.23Å; E197-I199 PolarHBondContact O-N 3.42Å; E197-H200 PolarHBondContact O-N 3.46Å; E197-L201 HydrophobicContact CG-CD1 4.08Å; E197-L201 HydrophobicContact CG-CG 4.33Å; E197-L201 WeakPolarHBondContact O-CB 3.16Å; E197-L201 WeakPolarHBondContact O-CG 3.07Å; E197-L201 PolarHBondContact O-N 3Å
198L96.6Very high94Very high3 Ų325.9 Ų25.92%0.01614%0.141CC..Hα-helixtrans-59.2-46.8177.2-175.5153.2000111.4Y110 L113 L132 L135 V136 A194 A195 S196 H200 A202Y110-L198 HydrophobicContact CD2-CD1 4.24Å; Y110-L198 HydrophobicContact CD2-CD2 4.17Å; Y110-L198 HydrophobicContact CE2-CD1 3.98Å; L113-L198 HydrophobicContact CB-CD2 3.76Å; L113-L198 HydrophobicContact CD1-CD2 3.97Å; L132-L198 HydrophobicContact CD2-CG 3.89Å; L135-L198 HydrophobicContact CB-CB 4.3Å; L135-L198 HydrophobicContact CB-CD1 4.29Å; L135-L198 HydrophobicContact CD1-CB 4.1Å; V136-L198 HydrophobicContact CG2-CD1 3.44Å; V136-L198 VanDerWaalsContact CG2-CD1 3.44Å; A194-L198 WeakPolarHBondContact O-CB 3.49Å; A194-L198 PolarHBondContact O-N 3.02Å; A195-L198 PolarHBondContact O-N 2.67Å; S196-L198 VanDerWaalsContact C-N 3.33Å; S196-L198 PolarHBondContact O-N 2.76Å; L198-H200 VanDerWaalsContact C-N 3.31Å; L198-H200 PolarHBondContact O-N 3.21Å; L198-A202 WeakPolarHBondContact O-CB 3.34Å; L198-A202 PolarHBondContact O-N 2.93Å
199I96.6Very high94.3Very high1 Ų123.8 Ų23.81%0.00513%0.131CC..Hα-helixtrans-59.4-45.7177.6-70165.1000110.2P96 H106 L109 L113 A195 S196 E197 A202 S203 V465P96-I199 HydrophobicContact CB-CG2 3.68Å; P96-I199 HydrophobicContact CG-CG2 3.69Å; H106-I199 HydrophobicContact CB-CD1 4.29Å; H106-I199 WeakPolarHBondContact O-CD1 3.41Å; L109-I199 HydrophobicContact CD2-CG2 3.88Å; L113-I199 HydrophobicContact CD1-CG1 4.14Å; A195-I199 VanDerWaalsContact O-CG1 3.3Å; A195-I199 WeakPolarHBondContact O-CG1 3.29Å; A195-I199 PolarHBondContact O-N 3.26Å; S196-I199 PolarHBondContact O-N 3.13Å; E197-I199 PolarHBondContact O-N 3.42Å; I199-A202 PolarHBondContact O-N 3.23Å; I199-S203 VanDerWaalsContact O-CB 3.31Å; I199-S203 WeakPolarHBondContact O-CB 3.38Å; I199-S203 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-OG 3.17Å; I199-V465 HydrophobicContact CG2-CG2 4.25Å
200H94.9Very high94.5Very high69 Ų6923.4 Ų23.432%0.31913%0.128SC..Hα-helixtrans-60.8-55.5179.6179.677.1000111.4S196 E197 L198 A202 S203 S204 F463S196-H200 PolarHBondContact O-N 3.02Å; E197-H200 PolarHBondContact O-N 3.46Å; L198-H200 VanDerWaalsContact C-N 3.31Å; L198-H200 PolarHBondContact O-N 3.21Å; H200-A202 VanDerWaalsContact C-N 3.33Å; H200-A202 PolarHBondContact O-N 2.91Å; H200-S203 PolarHBondContact O-N 3.22Å; H200-S203 PolarHBondContact O-OG 3.47Å; H200-S204 PolarHBondContact O-N 3.29Å; H200-F463 PolarHBondContact CE1-O 3.03Å; H200-F463 PolarHBondContact ND1-O 3.37Å
201L95.6Very high94.6Very high44 Ų4424.5 Ų24.523%0.2313%0.134CC..Hα-helixtrans-57-47.5178.6-71.5176.4000111R131 L132 L135 E197 S203 S204 L205R131-L201 HydrophobicContact CG-CD1 3.8Å; L132-L201 HydrophobicContact CD2-CB 3.97Å; L132-L201 HydrophobicContact CD2-CD1 4.46Å; L135-L201 HydrophobicContact CD1-CD1 3.91Å; E197-L201 HydrophobicContact CG-CD1 4.08Å; E197-L201 HydrophobicContact CG-CG 4.33Å; E197-L201 WeakPolarHBondContact O-CB 3.16Å; E197-L201 WeakPolarHBondContact O-CG 3.07Å; E197-L201 PolarHBondContact O-N 3Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 2.54Å; L201-S204 PolarHBondContact O-N 3.13Å; L201-S204 PolarHBondContact O-OG 3.31Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å
202A96.2Very high94.8Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-65-35.6-178.200000113L113 L198 I199 H200 S204 L205 Y208L113-A202 HydrophobicContact CD1-CB 3.81Å; L113-A202 HydrophobicContact CD2-CB 4.02Å; L113-A202 HydrophobicContact CG-CB 4.4Å; L198-A202 WeakPolarHBondContact O-CB 3.34Å; L198-A202 PolarHBondContact O-N 2.93Å; I199-A202 PolarHBondContact O-N 3.23Å; H200-A202 VanDerWaalsContact C-N 3.33Å; H200-A202 PolarHBondContact O-N 2.91Å; A202-S204 PolarHBondContact O-N 2.73Å; A202-L205 HydrophobicContact CB-CD1 4.45Å; A202-L205 WeakPolarHBondContact O-CB 3.5Å; A202-L205 WeakPolarHBondContact O-CG 3.18Å; A202-L205 PolarHBondContact O-N 3.3Å; A202-Y208 HydrophobicContact CB-CD2 4.43Å; A202-Y208 WeakPolarHBondContact O-CB 3.38Å; A202-Y208 WeakPolarHBondContact O-CD2 3.2Å
203S95.4Very high94.9Very high27 Ų2728 Ų2819%0.18916%0.155CC..Hα-helixtrans-65.5-26.2179.274.80000113.4I199 H200 L201 L205I199-S203 VanDerWaalsContact O-CB 3.31Å; I199-S203 WeakPolarHBondContact O-CB 3.38Å; I199-S203 PolarHBondContact O-N 3.29Å; I199-S203 PolarHBondContact O-OG 3.17Å; H200-S203 PolarHBondContact O-N 3.22Å; H200-S203 PolarHBondContact O-OG 3.47Å; L201-S203 VanDerWaalsContact C-N 3.34Å; L201-S203 PolarHBondContact O-N 2.54Å; S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.35Å
204S93.7Very high94.9Very high92 Ų9233 Ų3364%0.64317%0.172SC*.THydrogen-bonded Turntrans-77.6-11.9177.976.80000114H200 L201 A202H200-S204 PolarHBondContact O-N 3.29Å; L201-S204 PolarHBondContact O-N 3.13Å; L201-S204 PolarHBondContact O-OG 3.31Å; A202-S204 PolarHBondContact O-N 2.73Å
205L94.4Very high95Very high28 Ų2833 Ų3315%0.14717%0.172CC..SBendtrans-80.1143.9-173.3-55.8175.3000112.7L122 V124 V128 L132 L201 A202 S203 T207 Y208L122-L205 HydrophobicContact CD2-CD1 4.23Å; V124-L205 HydrophobicContact CB-CD2 4.48Å; V124-L205 HydrophobicContact CG1-CB 4.37Å; V124-L205 HydrophobicContact CG1-CD1 3.32Å; V124-L205 HydrophobicContact CG1-CD2 3.43Å; V124-L205 VanDerWaalsContact CG1-CD2 3.43Å; V124-L205 HydrophobicContact CG1-CG 3.84Å; V128-L205 HydrophobicContact CG1-CD2 4.28Å; L132-L205 HydrophobicContact CD1-CD1 4.19Å; L201-L205 WeakPolarHBondContact O-CG 3.41Å; A202-L205 HydrophobicContact CB-CD1 4.45Å; A202-L205 WeakPolarHBondContact O-CB 3.5Å; A202-L205 WeakPolarHBondContact O-CG 3.18Å; A202-L205 PolarHBondContact O-N 3.3Å; S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.35Å; L205-T207 PolarHBondContact O-N 3.34Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.73Å; L205-Y208 VanDerWaalsContact O-N 3.13Å
206E93.2Very high95.1Very high90 Ų9036.2 Ų36.242%0.42119%0.186SC..THydrogen-bonded Turntrans-63.3-25.8175-59.5-165.6137.500113.4I210 R242E206-I210 WeakPolarHBondContact O-CD1 3.27Å; E206-R242 VanDerWaalsContact CD-NE 3.31Å; E206-R242 IonicContact OE1-CZ 3.67Å; E206-R242 IonicContact OE1-NE 3.2Å; E206-R242 PolarHBondContact OE1-NE 2.92Å; E206-R242 IonicContact OE1-NH2 2.69Å; E206-R242 PolarHBondContact OE1-NH2 3.42Å; E206-R242 WeakPolarHBondContact OE2-CB 3.3Å; E206-R242 IonicContact OE2-NE 3.4Å
207T95.1Very high95.1Very high11 Ų1136.3 Ų36.37%0.06719%0.186CC..THydrogen-bonded Turntrans-91.15178.957.80000114.4V123 L205 G209 I210 F237V123-T207 HydrophobicContact CB-CG2 3.97Å; V123-T207 PolarHBondContact N-OG1 3Å; V123-T207 VanDerWaalsContact N-OG1 3.09Å; V123-T207 PolarHBondContact O-OG1 2.95Å; L205-T207 PolarHBondContact O-N 3.34Å; T207-G209 PolarHBondContact O-N 2.8Å; T207-I210 WeakPolarHBondContact O-CB 3.31Å; T207-I210 PolarHBondContact O-N 2.98Å; T207-I210 VanDerWaalsContact O-N 3.16Å; T207-F237 HydrophobicContact CG2-CE1 4.01Å; T207-F237 HydrophobicContact CG2-CZ 4.45Å
208Y96.8Very high95Very high4 Ų442.8 Ų42.82%0.01621%0.213CC..THydrogen-bonded Turntrans-58.2121.6-179.7-179.5-112.2000111.9Y92 P93 L113 A202 L205 I210Y92-Y208 HydrophobicContact CD1-CD1 4.41Å; Y92-Y208 HydrophobicContact CD1-CD2 4.17Å; Y92-Y208 AromaticContact CD1-CE1 3.99Å; Y92-Y208 HydrophobicContact CD1-CE1 3.99Å; Y92-Y208 AromaticContact CD1-CE2 3.76Å; Y92-Y208 HydrophobicContact CD1-CE2 3.76Å; Y92-Y208 HydrophobicContact CD1-CG 4.48Å; Y92-Y208 AromaticContact CD1-CZ 3.64Å; Y92-Y208 HydrophobicContact CE1-CE2 4.45Å; Y92-Y208 HydrophobicContact CG-CE1 4.29Å; P93-Y208 VanDerWaalsContact O-CE1 3.28Å; P93-Y208 WeakPolarHBondContact O-CE1 3.29Å; L113-Y208 HydrophobicContact CD1-CE2 4.23Å; L113-Y208 HydrophobicContact CD2-CD2 3.83Å; L113-Y208 HydrophobicContact CD2-CE2 3.62Å; L113-Y208 HydrophobicContact CG-CE2 4.46Å; A202-Y208 HydrophobicContact CB-CD2 4.43Å; A202-Y208 WeakPolarHBondContact O-CB 3.38Å; A202-Y208 WeakPolarHBondContact O-CD2 3.2Å; L205-Y208 WeakPolarHBondContact O-CB 3.44Å; L205-Y208 PolarHBondContact O-N 2.73Å; L205-Y208 VanDerWaalsContact O-N 3.13Å; Y208-I210 VanDerWaalsContact C-N 3.3Å; Y208-I210 PolarHBondContact O-N 3.44Å
209G95.2Very high94.8Very high6 Ų645.6 Ų45.66%0.06224%0.237CC..THydrogen-bonded Turntrans72.712.9179.500000116.4Y92 T207Y92-G209 VanDerWaalsContact CG-CA 3.42Å; T207-G209 PolarHBondContact O-N 2.8Å
210I94Very high94.6Very high9 Ų948 Ų485%0.04625%0.247CC..  trans-84.5127.3-177.7-60.9-167.5000111.8E206 T207 Y208 P212 T230 F237E206-I210 WeakPolarHBondContact O-CD1 3.27Å; T207-I210 WeakPolarHBondContact O-CB 3.31Å; T207-I210 PolarHBondContact O-N 2.98Å; T207-I210 VanDerWaalsContact O-N 3.16Å; Y208-I210 VanDerWaalsContact C-N 3.3Å; Y208-I210 PolarHBondContact O-N 3.44Å; I210-P212 HydrophobicContact CG2-CB 4.29Å; I210-T230 HydrophobicContact CD1-CG2 3.62Å; I210-T230 HydrophobicContact CG1-CG2 3.65Å; I210-F237 HydrophobicContact CD1-CD2 4.34Å; I210-F237 HydrophobicContact CD1-CE1 4.39Å; I210-F237 HydrophobicContact CD1-CE2 3.25Å; I210-F237 HydrophobicContact CD1-CZ 3.29Å
211D93.2Very high94.4Very high24 Ų2447.2 Ų47.213%0.12826%0.257CS..  trans-107.796.2161-162.8-14000107.9R52 K64 R121 I213R52-D211 IonicContact NH1-OD2 3.24Å; R52-D211 PolarHBondContact NH1-OD2 3.46Å; K64-D211 IonicContact NZ-OD1 3.28Å; K64-D211 PolarHBondContact NZ-OD1 2.93Å; K64-D211 IonicContact NZ-OD2 3.03Å; K64-D211 PolarHBondContact NZ-OD2 2.88Å; R121-D211 IonicContact CZ-OD1 3.28Å; R121-D211 IonicContact CZ-OD2 3.05Å; R121-D211 IonicContact NH1-OD2 3.42Å; R121-D211 IonicContact NH2-OD1 3.16Å; R121-D211 PolarHBondContact NH2-OD1 2.98Å; R121-D211 IonicContact NH2-OD2 3.05Å; R121-D211 PolarHBondContact NH2-OD2 3.39Å; D211-I213 PolarHBondContact O-N 3Å
212P94.1Very high94.1Very high54 Ų5449.7 Ų49.735%0.35128%0.278SS..  trans-68.6131.1-167.826.1-32.8000111.8I210 H226I210-P212 HydrophobicContact CG2-CB 4.29Å; P212-H226 HydrophobicContact CB-CB 4.01Å
213I94Very high94Very high22 Ų2257.6 Ų57.611%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-110.9126.2175.6-63.6162.8000109.2D211 V215 H226 L227 V289 L293 W296D211-I213 PolarHBondContact O-N 3Å; I213-V215 HydrophobicContact CG2-CG1 4.02Å; I213-V215 PolarHBondContact O-N 3.4Å; I213-H226 WeakPolarHBondContact O-CA 3.31Å; I213-L227 PolarHBondContact N-O 3.18Å; I213-L227 PolarHBondContact O-N 2.91Å; I213-V289 HydrophobicContact CG2-CG1 3.79Å; I213-L293 HydrophobicContact CD1-CB 4.09Å; I213-L293 HydrophobicContact CD1-CD1 3.5Å; I213-L293 HydrophobicContact CD1-CD2 4.42Å; I213-L293 HydrophobicContact CD1-CG 4.19Å; I213-W296 HydrophobicContact CD1-CE3 4.04Å; I213-W296 HydrophobicContact CD1-CZ3 3.75Å
214R94.9Very high94Very high149 Ų14960.7 Ų60.756%0.56232%0.319SS*.EExtended strand (participates in β ladder)trans-72.1125.6176-66.9-171.9-58.8-144.51.5110.5I225R214-I225 WeakPolarHBondContact CA-O 3.06Å
215V96.3Very high94.1Very high0 Ų056.3 Ų56.30%029%0.289CS..EExtended strand (participates in β ladder)trans-141161.3178.7-59.20000111.2I213 H224 I225 L227 Y282 K283I213-V215 HydrophobicContact CG2-CG1 4.02Å; I213-V215 PolarHBondContact O-N 3.4Å; V215-H224 WeakPolarHBondContact O-CA 3.28Å; V215-I225 HydrophobicContact CG2-CD1 4.19Å; V215-I225 HydrophobicContact CG2-CG1 3.67Å; V215-I225 PolarHBondContact N-O 3.36Å; V215-I225 PolarHBondContact O-N 2.91Å; V215-L227 HydrophobicContact CG1-CB 4.43Å; V215-L227 HydrophobicContact CG2-CB 3.99Å; V215-Y282 HydrophobicContact CG2-CD1 3.86Å; V215-Y282 HydrophobicContact CG2-CG 4.42Å; V215-K283 CarbonylContact C-O 3.6Å; V215-K283 WeakPolarHBondContact CA-O 3.44Å
216K96.5Very high94.2Very high68 Ų6858.3 Ų58.330%0.29630%0.297SS..EExtended strand (participates in β ladder)trans-111.3142.7167.4-58.4-173.9-179.1-163.50110H224 Y282 K283K216-H224 WeakPolarHBondContact CE-CE1 3.38Å; K216-H224 WeakPolarHBondContact CE-NE2 3.27Å; K216-H224 PolarHBondContact NZ-NE2 3.01Å; K216-Y282 CarbonylContact O-C 3.56Å; K216-Y282 WeakPolarHBondContact O-CA 3.36Å; K216-K283 HydrophobicContact CB-CB 4.32Å; K216-K283 PolarHBondContact N-O 3.42Å; K216-K283 PolarHBondContact O-N 2.94Å
217T95.4Very high94.4Very high6 Ų654 Ų544%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-137.1149174.3175.50000109.8A219 Y220 G221 I225 H281T217-A219 HydrophobicContact CG2-CB 4.3Å; T217-A219 PolarHBondContact O-N 3.4Å; T217-A219 VanDerWaalsContact O-N 3.14Å; T217-Y220 HydrophobicContact CG2-CD2 3.3Å; T217-Y220 HydrophobicContact CG2-CE2 3.79Å; T217-Y220 HydrophobicContact CG2-CG 4.33Å; T217-Y220 PolarHBondContact O-N 3.17Å; T217-Y220 VanDerWaalsContact O-N 3.11Å; T217-G221 PolarHBondContact O-N 3.16Å; T217-I225 HydrophobicContact CG2-CD1 3.7Å; T217-I225 HydrophobicContact CG2-CG1 4.4Å; T217-H281 PolarHBondContact OG1-O 3.27Å
218K93.7Very high94.4Very high191 Ų19153.5 Ų53.583%0.8327%0.274SS*.G310 helixtrans-57.1-30.8-179.2-67.2-174.7178.1-177.60112.5Y220 G221K218-Y220 PolarHBondContact O-N 3.38Å; K218-G221 PolarHBondContact O-N 3.13Å
219A91.8Very high94.4Very high63 Ų6353.7 Ų53.752%0.52128%0.275SS..G310 helixtrans-60.9-26.5179.900000113.7T217T217-A219 HydrophobicContact CG2-CB 4.3Å; T217-A219 PolarHBondContact O-N 3.4Å; T217-A219 VanDerWaalsContact O-N 3.14Å
220Y93.1Very high94.4Very high52 Ų5253.8 Ų53.820%0.20427%0.274CS..G310 helixtrans-118.620.3179.3-50.3-69000112.4T217 K218 S222 R223 I225 E236 I238T217-Y220 HydrophobicContact CG2-CD2 3.3Å; T217-Y220 HydrophobicContact CG2-CE2 3.79Å; T217-Y220 HydrophobicContact CG2-CG 4.33Å; T217-Y220 PolarHBondContact O-N 3.17Å; T217-Y220 VanDerWaalsContact O-N 3.11Å; K218-Y220 PolarHBondContact O-N 3.38Å; Y220-S222 PolarHBondContact O-N 3.32Å; Y220-R223 WeakPolarHBondContact O-CB 3.31Å; Y220-R223 PolarHBondContact O-N 3.07Å; Y220-I225 HydrophobicContact CD2-CD1 3.89Å; Y220-I225 HydrophobicContact CD2-CG2 3.51Å; Y220-I225 HydrophobicContact CE2-CD1 3.79Å; Y220-I225 HydrophobicContact CE2-CG2 4.1Å; Y220-I225 HydrophobicContact CG-CG2 4.02Å; Y220-E236 VanDerWaalsContact CE2-OE2 3.25Å; Y220-E236 WeakPolarHBondContact CE2-OE2 3.28Å; Y220-E236 PolarHBondContact OH-OE2 3.28Å; Y220-I238 HydrophobicContact CD1-CD1 3.66Å; Y220-I238 HydrophobicContact CD2-CD1 4.41Å; Y220-I238 HydrophobicContact CE1-CD1 3.6Å; Y220-I238 HydrophobicContact CE2-CD1 4.39Å; Y220-I238 HydrophobicContact CG-CD1 4.1Å
221G90.5Very high94.6Very high52 Ų5255.2 Ų55.254%0.53628%0.281SS..THydrogen-bonded Turntrans61.7-125.2178.300000113.5T217 K218T217-G221 PolarHBondContact O-N 3.16Å; K218-G221 PolarHBondContact O-N 3.13Å
222S88.9Confident94.7Very high96 Ų9658.1 Ų58.167%0.67129%0.293SS*.THydrogen-bonded Turntrans-87.7-6.9179.5-166.70000113.6Y220Y220-S222 PolarHBondContact O-N 3.32Å
223R93.9Very high94.9Very high166 Ų16655.5 Ų55.563%0.62628%0.277SS*.  trans-70.2134.3-175.7-163.3179.3-163-179.65.8110.6Y220Y220-R223 WeakPolarHBondContact O-CB 3.31Å; Y220-R223 PolarHBondContact O-N 3.07Å
224H94.5Very high95Very high91 Ų9154.5 Ų54.542%0.42127%0.271SS..EExtended strand (participates in β ladder)trans-74.2137.5170.4-70.1-93.8000110.4V215 K216V215-H224 WeakPolarHBondContact O-CA 3.28Å; K216-H224 WeakPolarHBondContact CE-CE1 3.38Å; K216-H224 WeakPolarHBondContact CE-NE2 3.27Å; K216-H224 PolarHBondContact NZ-NE2 3.01Å
225I96.5Very high95.2Very high1 Ų147.4 Ų47.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-121.1164.117168.8165.9000109.4R214 V215 T217 Y220 E236 I238 Y282R214-I225 WeakPolarHBondContact CA-O 3.06Å; V215-I225 HydrophobicContact CG2-CD1 4.19Å; V215-I225 HydrophobicContact CG2-CG1 3.67Å; V215-I225 PolarHBondContact N-O 3.36Å; V215-I225 PolarHBondContact O-N 2.91Å; T217-I225 HydrophobicContact CG2-CD1 3.7Å; T217-I225 HydrophobicContact CG2-CG1 4.4Å; Y220-I225 HydrophobicContact CD2-CD1 3.89Å; Y220-I225 HydrophobicContact CD2-CG2 3.51Å; Y220-I225 HydrophobicContact CE2-CD1 3.79Å; Y220-I225 HydrophobicContact CE2-CG2 4.1Å; Y220-I225 HydrophobicContact CG-CG2 4.02Å; I225-E236 HydrophobicContact CD1-CB 4.2Å; I225-E236 HydrophobicContact CD1-CG 4.07Å; I225-I238 HydrophobicContact CB-CG1 4.36Å; I225-I238 HydrophobicContact CG2-CD1 4.09Å; I225-I238 HydrophobicContact CG2-CG1 3.72Å; I225-Y282 HydrophobicContact CD1-CE1 4.47Å
226H96.5Very high95.2Very high69 Ų6947.4 Ų47.432%0.31925%0.245SC..EExtended strand (participates in β ladder)trans-99.7128.5171.5-63.9104000109.8P212 I213 F237P212-H226 HydrophobicContact CB-CB 4.01Å; I213-H226 WeakPolarHBondContact O-CA 3.31Å; H226-F237 HydrophobicContact CB-CB 4.12Å; H226-F237 PolarHBondContact N-O 3.12Å; H226-F237 PolarHBondContact O-N 3.46Å
227L96.6Very high95.2Very high1 Ų144.7 Ų44.71%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-99.4131172.2-161.275.5000109.3I213 V215 V234 A235 E236 F261 Y282 L293I213-L227 PolarHBondContact N-O 3.18Å; I213-L227 PolarHBondContact O-N 2.91Å; V215-L227 HydrophobicContact CG1-CB 4.43Å; V215-L227 HydrophobicContact CG2-CB 3.99Å; L227-V234 HydrophobicContact CD1-CG1 3.58Å; L227-V234 HydrophobicContact CD2-CG1 4.1Å; L227-V234 HydrophobicContact CG-CG1 3.92Å; L227-A235 WeakPolarHBondContact CA-O 3.04Å; L227-E236 HydrophobicContact CD1-CG 4.2Å; L227-F261 HydrophobicContact CD2-CD1 3.95Å; L227-F261 HydrophobicContact CD2-CE1 3.98Å; L227-Y282 HydrophobicContact CD1-CD1 4.09Å; L227-Y282 HydrophobicContact CD1-CE1 3.69Å; L227-Y282 HydrophobicContact CD1-CE2 4.38Å; L227-Y282 HydrophobicContact CD2-CD2 4.44Å; L227-Y282 HydrophobicContact CD2-CG 4.41Å; L227-L293 HydrophobicContact CD2-CD1 4.03Å; L227-L293 HydrophobicContact CD2-CD2 3.72Å; L227-L293 HydrophobicContact CD2-CG 4.4Å
228G95.8Very high95.1Very high0 Ų045.9 Ų45.90%024%0.239CC..EExtended strand (participates in β ladder)trans-119.8146.1175.100000111.8A235G228-A235 PolarHBondContact N-O 3.35Å; G228-A235 PolarHBondContact O-N 3.35Å
229L97.2Very high94.9Very high8 Ų839.3 Ų39.34%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-111.9111.3173.9-56.1179.6000108.2V234 W248 L293 W296 A297L229-V234 HydrophobicContact CD2-CB 4.43Å; L229-V234 HydrophobicContact CD2-CG1 4.3Å; L229-V234 HydrophobicContact CD2-CG2 3.84Å; L229-W248 HydrophobicContact CD2-CH2 4.14Å; L229-L293 HydrophobicContact CD1-CD1 3.8Å; L229-L293 HydrophobicContact CD2-CD1 4.14Å; L229-L293 HydrophobicContact CG-CD1 4.09Å; L229-W296 HydrophobicContact CD1-CB 3.74Å; L229-A297 HydrophobicContact CD1-CB 3.93Å; L229-A297 HydrophobicContact CD2-CB 3.97Å
230T96Very high94.6Very high8 Ų842.3 Ų42.35%0.04923%0.233CC..  trans-107.5175.4-176.762.60000110.9I210 Q232 G233 A235 W248I210-T230 HydrophobicContact CD1-CG2 3.62Å; I210-T230 HydrophobicContact CG1-CG2 3.65Å; T230-Q232 PolarHBondContact O-N 2.83Å; T230-Q232 PolarHBondContact OG1-N 2.82Å; T230-G233 PolarHBondContact N-O 3.3Å; T230-G233 PolarHBondContact OG1-N 2.89Å; T230-G233 VanDerWaalsContact OG1-N 3.11Å; T230-G233 PolarHBondContact OG1-O 2.88Å; T230-A235 HydrophobicContact CG2-CB 4.48Å; T230-W248 WeakPolarHBondContact O-CZ2 3.49Å; T230-W248 PolarHBondContact O-NE1 3.5Å; T230-W248 VanDerWaalsContact O-NE1 3.07Å
231H96.3Very high94.6Very high39 Ų3949 Ų4918%0.18126%0.258CS..SBendtrans-62.8-25169.769.9-96.5000112.5A94 W248 F304A94-H231 HydrophobicContact CB-CB 4.27Å; A94-H231 WeakPolarHBondContact CB-CD2 3.39Å; H231-W248 PolarHBondContact O-NE1 2.76Å; H231-W248 VanDerWaalsContact O-NE1 3.14Å; H231-F304 HydrophobicContact CB-CD1 4.39Å; H231-F304 HydrophobicContact CB-CE1 3.82Å; H231-F304 HydrophobicContact CB-CE2 4.07Å; H231-F304 HydrophobicContact CB-CZ 3.65Å
232Q96.5Very high94.8Very high84 Ų8450 Ų5039%0.39325%0.245SC..SBendtrans-82.4-40-179.6-54.7-177.3-47.100112.7T230 R242 L245 P247 W248T230-Q232 PolarHBondContact O-N 2.83Å; T230-Q232 PolarHBondContact OG1-N 2.82Å; Q232-R242 VanDerWaalsContact OE1-NH1 3.16Å; Q232-L245 HydrophobicContact CB-CD1 4.2Å; Q232-L245 HydrophobicContact CB-CD2 3.98Å; Q232-L245 VanDerWaalsContact OE1-CD2 3.32Å; Q232-P247 WeakPolarHBondContact O-CA 3.14Å; Q232-W248 PolarHBondContact O-N 2.88Å
233G97.1Very high95.1Very high0 Ų050 Ų500%023%0.234CC..EExtended strand (participates in β ladder)trans169.1-164.5-168.800000115.3T230 Y246 W248T230-G233 PolarHBondContact N-O 3.3Å; T230-G233 PolarHBondContact OG1-N 2.89Å; T230-G233 VanDerWaalsContact OG1-N 3.11Å; T230-G233 PolarHBondContact OG1-O 2.88Å; G233-Y246 CarbonylContact C-O 3.53Å; G233-Y246 WeakPolarHBondContact CA-O 3.38Å; G233-W248 VanDerWaalsContact CA-CE2 3.41Å
234V97.8Very high95.1Very high0 Ų046.2 Ų46.20%022%0.223CC..EExtended strand (participates in β ladder)trans-88.5120.6172.7-178.70000108.8L227 L229 Y246 W248 I251L227-V234 HydrophobicContact CD1-CG1 3.58Å; L227-V234 HydrophobicContact CD2-CG1 4.1Å; L227-V234 HydrophobicContact CG-CG1 3.92Å; L229-V234 HydrophobicContact CD2-CB 4.43Å; L229-V234 HydrophobicContact CD2-CG1 4.3Å; L229-V234 HydrophobicContact CD2-CG2 3.84Å; V234-Y246 PolarHBondContact N-O 2.89Å; V234-Y246 PolarHBondContact O-N 2.87Å; V234-W248 HydrophobicContact CG2-CH2 3.85Å; V234-W248 HydrophobicContact CG2-CZ3 3.67Å; V234-I251 HydrophobicContact CB-CD1 4.3Å; V234-I251 HydrophobicContact CG2-CD1 3.66Å
235A97.3Very high95.2Very high0 Ų044.4 Ų44.40%022%0.215CC..EExtended strand (participates in β ladder)trans-113.8137.2-176.700000111.8L227 G228 T230 F237 R242 K244 L245L227-A235 WeakPolarHBondContact CA-O 3.04Å; G228-A235 PolarHBondContact N-O 3.35Å; G228-A235 PolarHBondContact O-N 3.35Å; T230-A235 HydrophobicContact CG2-CB 4.48Å; A235-F237 HydrophobicContact CB-CD2 4.3Å; A235-F237 HydrophobicContact CB-CE2 3.5Å; A235-F237 VanDerWaalsContact CB-CE2 3.5Å; A235-F237 HydrophobicContact CB-CZ 4.18Å; A235-R242 HydrophobicContact CB-CG 4.45Å; A235-K244 CarbonylContact C-O 3.53Å; A235-K244 WeakPolarHBondContact CA-O 3.48Å; A235-L245 HydrophobicContact CB-CD1 4.01Å
236E97Very high95.2Very high1 Ų146 Ų461%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-101.6131175.1-63.5-176.7164.800110.1Y220 I225 L227 R242 Q243 K244 Y246 Y282Y220-E236 VanDerWaalsContact CE2-OE2 3.25Å; Y220-E236 WeakPolarHBondContact CE2-OE2 3.28Å; Y220-E236 PolarHBondContact OH-OE2 3.28Å; I225-E236 HydrophobicContact CD1-CB 4.2Å; I225-E236 HydrophobicContact CD1-CG 4.07Å; L227-E236 HydrophobicContact CD1-CG 4.2Å; E236-R242 CarbonylContact O-C 3.57Å; E236-R242 WeakPolarHBondContact O-CA 3.44Å; E236-Q243 PolarHBondContact O-N 3.38Å; E236-K244 HydrophobicContact CB-CB 4.27Å; E236-K244 HydrophobicContact CG-CB 4.34Å; E236-K244 PolarHBondContact N-O 2.95Å; E236-K244 WeakPolarHBondContact OE2-CD 3.38Å; E236-Y246 HydrophobicContact CG-CE2 4.21Å; E236-Y282 HydrophobicContact CG-CE1 4.28Å; E236-Y282 WeakPolarHBondContact OE1-CE1 3.23Å; E236-Y282 PolarHBondContact OE1-OH 3.39Å; E236-Y282 VanDerWaalsContact OE1-OH 3.06Å
237F95.9Very high95.3Very high11 Ų1145.2 Ų45.25%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-123.3134.6178.3-67.6-97.9000111.2T207 I210 H226 A235 R241 R242T207-F237 HydrophobicContact CG2-CE1 4.01Å; T207-F237 HydrophobicContact CG2-CZ 4.45Å; I210-F237 HydrophobicContact CD1-CD2 4.34Å; I210-F237 HydrophobicContact CD1-CE1 4.39Å; I210-F237 HydrophobicContact CD1-CE2 3.25Å; I210-F237 HydrophobicContact CD1-CZ 3.29Å; H226-F237 HydrophobicContact CB-CB 4.12Å; H226-F237 PolarHBondContact N-O 3.12Å; H226-F237 PolarHBondContact O-N 3.46Å; A235-F237 HydrophobicContact CB-CD2 4.3Å; A235-F237 HydrophobicContact CB-CE2 3.5Å; A235-F237 VanDerWaalsContact CB-CE2 3.5Å; A235-F237 HydrophobicContact CB-CZ 4.18Å; F237-R241 WeakPolarHBondContact CA-O 3.39Å; F237-R242 HydrophobicContact CD1-CB 4.02Å; F237-R242 HydrophobicContact CE1-CB 3.6Å; F237-R242 HydrophobicContact CE1-CG 4.12Å; F237-R242 HydrophobicContact CE2-CG 4.45Å; F237-R242 HydrophobicContact CZ-CB 4.01Å; F237-R242 HydrophobicContact CZ-CG 4.01Å
238I94Very high95.3Very high30 Ų3045.6 Ų45.615%0.15422%0.224CC..EExtended strand (participates in β ladder)trans-119.2116.3168.6-61.9-179.1000107.3Y220 I225 N240 R241 Q243Y220-I238 HydrophobicContact CD1-CD1 3.66Å; Y220-I238 HydrophobicContact CD2-CD1 4.41Å; Y220-I238 HydrophobicContact CE1-CD1 3.6Å; Y220-I238 HydrophobicContact CE2-CD1 4.39Å; Y220-I238 HydrophobicContact CG-CD1 4.1Å; I225-I238 HydrophobicContact CB-CG1 4.36Å; I225-I238 HydrophobicContact CG2-CD1 4.09Å; I225-I238 HydrophobicContact CG2-CG1 3.72Å; I238-N240 PolarHBondContact O-N 3.19Å; I238-R241 PolarHBondContact N-O 2.87Å; I238-R241 VanDerWaalsContact N-O 3.09Å; I238-R241 PolarHBondContact O-N 3.04Å; I238-Q243 HydrophobicContact CB-CG 3.9Å; I238-Q243 HydrophobicContact CD1-CG 3.77Å; I238-Q243 HydrophobicContact CG1-CG 3.65Å
239G89.2Confident95.1Very high53 Ų5350.8 Ų50.855%0.54626%0.261SS..THydrogen-bonded Turntrans57-127.7-166.600000110.1
240N86.9Confident95Very high127 Ų12751.6 Ų51.668%0.67927%0.268SS*.THydrogen-bonded Turntrans-97.111.8-175.6-62.60.2000113.4V123 I238V123-N240 HydrophobicContact CG1-CB 3.51Å; I238-N240 PolarHBondContact O-N 3.19Å
241R91.3Very high94.9Very high193 Ų19351.5 Ų51.573%0.72827%0.268SS*.EExtended strand (participates in β ladder)trans-120.4130.7-174.9-64.6-174.6-176.3-179.21111.7F237 I238 Q243F237-R241 WeakPolarHBondContact CA-O 3.39Å; I238-R241 PolarHBondContact N-O 2.87Å; I238-R241 VanDerWaalsContact N-O 3.09Å; I238-R241 PolarHBondContact O-N 3.04Å; R241-Q243 PolarHBondContact O-N 3.34Å
242R95Very high94.8Very high73 Ų7352.7 Ų52.728%0.27528%0.28SS..EExtended strand (participates in β ladder)trans-69122.1169.7-169.9169.360.8164.21.9109.5E206 Q232 A235 E236 F237E206-R242 VanDerWaalsContact CD-NE 3.31Å; E206-R242 IonicContact OE1-CZ 3.67Å; E206-R242 IonicContact OE1-NE 3.2Å; E206-R242 PolarHBondContact OE1-NE 2.92Å; E206-R242 IonicContact OE1-NH2 2.69Å; E206-R242 PolarHBondContact OE1-NH2 3.42Å; E206-R242 WeakPolarHBondContact OE2-CB 3.3Å; E206-R242 IonicContact OE2-NE 3.4Å; Q232-R242 VanDerWaalsContact OE1-NH1 3.16Å; A235-R242 HydrophobicContact CB-CG 4.45Å; E236-R242 CarbonylContact O-C 3.57Å; E236-R242 WeakPolarHBondContact O-CA 3.44Å; F237-R242 HydrophobicContact CD1-CB 4.02Å; F237-R242 HydrophobicContact CE1-CB 3.6Å; F237-R242 HydrophobicContact CE1-CG 4.12Å; F237-R242 HydrophobicContact CE2-CG 4.45Å; F237-R242 HydrophobicContact CZ-CB 4.01Å; F237-R242 HydrophobicContact CZ-CG 4.01Å
243Q95.3Very high94.6Very high95 Ų9552.3 Ų52.344%0.44428%0.275SS..EExtended strand (participates in β ladder)trans-93.2-42.9179.2-64.2-59-54.900111.9E236 I238 R241E236-Q243 PolarHBondContact O-N 3.38Å; I238-Q243 HydrophobicContact CB-CG 3.9Å; I238-Q243 HydrophobicContact CD1-CG 3.77Å; I238-Q243 HydrophobicContact CG1-CG 3.65Å; R241-Q243 PolarHBondContact O-N 3.34Å
244K95.1Very high94.5Very high87 Ų8752.7 Ų52.738%0.37828%0.277SS..EExtended strand (participates in β ladder)trans-144.2148.8-178.4-63.8-173.8-171.9166.30110.5A235 E236 Y246A235-K244 CarbonylContact C-O 3.53Å; A235-K244 WeakPolarHBondContact CA-O 3.48Å; E236-K244 HydrophobicContact CB-CB 4.27Å; E236-K244 HydrophobicContact CG-CB 4.34Å; E236-K244 PolarHBondContact N-O 2.95Å; E236-K244 WeakPolarHBondContact OE2-CD 3.38Å; K244-Y246 HydrophobicContact CB-CE2 4.16Å; K244-Y246 HydrophobicContact CD-CE2 4.48Å; K244-Y246 VanDerWaalsContact CD-OH 3.28Å; K244-Y246 WeakPolarHBondContact CD-OH 2.92Å
245L96.6Very high94.3Very high52 Ų5253.1 Ų53.127%0.27228%0.28SS..EExtended strand (participates in β ladder)trans-127.6127.5168.6175.167.4000107.8Q232 A235 P247Q232-L245 HydrophobicContact CB-CD1 4.2Å; Q232-L245 HydrophobicContact CB-CD2 3.98Å; Q232-L245 VanDerWaalsContact OE1-CD2 3.32Å; A235-L245 HydrophobicContact CB-CD1 4.01Å; L245-P247 WeakPolarHBondContact O-CD 3.19Å
246Y96.6Very high94Very high34 Ų3453.1 Ų53.113%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-105.399.2172.2-61-72.7000108.1G233 V234 E236 K244 T265 I280 Y282G233-Y246 CarbonylContact C-O 3.53Å; G233-Y246 WeakPolarHBondContact CA-O 3.38Å; V234-Y246 PolarHBondContact N-O 2.89Å; V234-Y246 PolarHBondContact O-N 2.87Å; E236-Y246 HydrophobicContact CG-CE2 4.21Å; K244-Y246 HydrophobicContact CB-CE2 4.16Å; K244-Y246 HydrophobicContact CD-CE2 4.48Å; K244-Y246 VanDerWaalsContact CD-OH 3.28Å; K244-Y246 WeakPolarHBondContact CD-OH 2.92Å; Y246-T265 HydrophobicContact CD1-CG2 3.67Å; Y246-T265 HydrophobicContact CE1-CG2 4.29Å; Y246-T265 HydrophobicContact CG-CG2 4.09Å; Y246-I280 HydrophobicContact CD1-CD1 4.21Å; Y246-I280 HydrophobicContact CD2-CD1 4.37Å; Y246-I280 HydrophobicContact CE1-CD1 3.52Å; Y246-I280 HydrophobicContact CE2-CD1 3.73Å; Y246-I280 VanDerWaalsContact OH-CD1 3.28Å; Y246-I280 WeakPolarHBondContact OH-CD1 3.47Å; Y246-Y282 WeakPolarHBondContact CE2-OH 3.12Å
247P96.9Very high93.8Very high54 Ų5457 Ų5735%0.35130%0.3SS..EExtended strand (participates in β ladder)trans-57.4146.9-179.4-24.334.3000111.4Q232 L245 S249 A250 I251Q232-P247 WeakPolarHBondContact O-CA 3.14Å; L245-P247 WeakPolarHBondContact O-CD 3.19Å; P247-S249 PolarHBondContact O-N 2.8Å; P247-S249 VanDerWaalsContact O-N 3.12Å; P247-A250 HydrophobicContact CB-CB 4.48Å; P247-A250 WeakPolarHBondContact O-CB 3.47Å; P247-A250 PolarHBondContact O-N 2.83Å; P247-I251 PolarHBondContact O-N 3.37Å
248W96.6Very high93.5Very high8 Ų857.7 Ų57.73%0.0331%0.311CS..THydrogen-bonded Turntrans-55.6-32.9178.7-65125.4000113.3L229 T230 H231 Q232 G233 V234 A250 I251 M254 A297 R300 Q301 T305L229-W248 HydrophobicContact CD2-CH2 4.14Å; T230-W248 WeakPolarHBondContact O-CZ2 3.49Å; T230-W248 PolarHBondContact O-NE1 3.5Å; T230-W248 VanDerWaalsContact O-NE1 3.07Å; H231-W248 PolarHBondContact O-NE1 2.76Å; H231-W248 VanDerWaalsContact O-NE1 3.14Å; Q232-W248 PolarHBondContact O-N 2.88Å; G233-W248 VanDerWaalsContact CA-CE2 3.41Å; V234-W248 HydrophobicContact CG2-CH2 3.85Å; V234-W248 HydrophobicContact CG2-CZ3 3.67Å; W248-A250 VanDerWaalsContact C-N 3.32Å; W248-A250 PolarHBondContact O-N 2.95Å; W248-I251 HydrophobicContact CE3-CD1 3.75Å; W248-I251 HydrophobicContact CZ3-CD1 3.99Å; W248-I251 PolarHBondContact O-N 2.87Å; W248-M254 HydrophobicContact CZ3-CE 4.01Å; W248-A297 HydrophobicContact CH2-CB 4.36Å; W248-A297 HydrophobicContact CZ3-CB 4.46Å; W248-R300 HydrophobicContact CH2-CB 4.2Å; W248-R300 HydrophobicContact CZ2-CB 3.81Å; W248-Q301 HydrophobicContact CB-CG 4.29Å; W248-Q301 HydrophobicContact CD2-CB 4.11Å; W248-Q301 HydrophobicContact CD2-CG 4.39Å; W248-Q301 HydrophobicContact CE3-CB 3.58Å; W248-Q301 HydrophobicContact CE3-CG 3.9Å; W248-Q301 HydrophobicContact CZ3-CB 3.98Å; W248-Q301 PolarHBondContact O-NE2 3.41Å; W248-T305 HydrophobicContact CB-CG2 3.4Å; W248-T305 HydrophobicContact CG-CG2 4.31Å
249S93Very high93.4Very high109 Ų10963.2 Ų63.276%0.76233%0.33SS*.THydrogen-bonded Turntrans-70.1-23.8176.556.50000114.1P247P247-S249 PolarHBondContact O-N 2.8Å; P247-S249 VanDerWaalsContact O-N 3.12Å
250A93.8Very high93.7Very high25 Ų2563 Ų6321%0.20732%0.316CS..THydrogen-bonded Turntrans-87.7-16.1177.700000112.6P247 W248 S252 T265 S266P247-A250 HydrophobicContact CB-CB 4.48Å; P247-A250 WeakPolarHBondContact O-CB 3.47Å; P247-A250 PolarHBondContact O-N 2.83Å; W248-A250 VanDerWaalsContact C-N 3.32Å; W248-A250 PolarHBondContact O-N 2.95Å; A250-S252 PolarHBondContact O-N 3.46Å; A250-T265 CarbonylContact O-C 3.56Å; A250-T265 VanDerWaalsContact O-CA 3.28Å; A250-T265 WeakPolarHBondContact O-CA 3.45Å; A250-S266 PolarHBondContact O-N 3.13Å; A250-S266 PolarHBondContact O-OG 3.23Å
251I95.4Very high94.1Very high7 Ų757 Ų574%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-83.3110.4-179.3-64.5167.9000109.4V234 P247 W248 M254 V263 T265 Q301V234-I251 HydrophobicContact CB-CD1 4.3Å; V234-I251 HydrophobicContact CG2-CD1 3.66Å; P247-I251 PolarHBondContact O-N 3.37Å; W248-I251 HydrophobicContact CE3-CD1 3.75Å; W248-I251 HydrophobicContact CZ3-CD1 3.99Å; W248-I251 PolarHBondContact O-N 2.87Å; I251-M254 HydrophobicContact CG2-CE 4.03Å; I251-V263 HydrophobicContact CB-CG1 4.5Å; I251-V263 HydrophobicContact CD1-CG1 4.1Å; I251-V263 HydrophobicContact CG1-CG1 3.88Å; I251-V263 HydrophobicContact CG2-CG1 3.88Å; I251-T265 HydrophobicContact CG1-CG2 4.11Å; I251-Q301 PolarHBondContact O-NE2 3Å; I251-Q301 VanDerWaalsContact O-NE2 3.11Å
252S92.5Very high94.4Very high63 Ų6348.1 Ų48.144%0.44125%0.251SS..EExtended strand (participates in β ladder)trans-77-40.4-179.8-51.40000112.6A250 A264A250-S252 PolarHBondContact O-N 3.46Å; S252-A264 PolarHBondContact N-O 3.42Å
253W93.2Very high94.4Very high77 Ų7744.6 Ų44.629%0.29224%0.238SC..EExtended strand (participates in β ladder)trans-161.3160.1174.257-95.1000110.8T255 V262 A264 T279 K318W253-T255 HydrophobicContact CZ3-CG2 3.93Å; W253-V262 HydrophobicContact CH2-CG1 4.03Å; W253-V262 HydrophobicContact CZ3-CB 4.47Å; W253-V262 HydrophobicContact CZ3-CG1 3.94Å; W253-A264 HydrophobicContact CD2-CB 3.59Å; W253-A264 HydrophobicContact CE3-CB 4.11Å; W253-A264 HydrophobicContact CG-CB 4.05Å; W253-A264 HydrophobicContact CH2-CB 3.95Å; W253-A264 HydrophobicContact CZ2-CB 3.43Å; W253-A264 VanDerWaalsContact CZ2-CB 3.43Å; W253-A264 HydrophobicContact CZ3-CB 4.26Å; W253-A264 PolarHBondContact O-N 2.92Å; W253-T279 HydrophobicContact CH2-CG2 4.09Å; W253-K318 HydrophobicContact CD2-CD 4.48Å; W253-K318 HydrophobicContact CE3-CD 4.41Å
254M94.8Very high94.4Very high8 Ų840.1 Ų40.14%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-135.6151173.961.5-179.371.800111.2W248 I251 F261 V262 W294 A297 S298 Q301W248-M254 HydrophobicContact CZ3-CE 4.01Å; I251-M254 HydrophobicContact CG2-CE 4.03Å; M254-F261 HydrophobicContact CB-CE2 4.06Å; M254-F261 HydrophobicContact CB-CZ 4.38Å; M254-F261 HydrophobicContact SD-CE2 4.29Å; M254-F261 HydrophobicContact SD-CZ 4.4Å; M254-V262 CarbonylContact C-O 3.58Å; M254-V262 VanDerWaalsContact CA-O 3.23Å; M254-V262 WeakPolarHBondContact CA-O 3.31Å; M254-W294 PolarHBondContact O-NE1 3.42Å; M254-A297 HydrophobicContact CE-CB 3.99Å; M254-A297 VanDerWaalsContact SD-C 3.53Å; M254-A297 HydrophobicContact SD-CB 3.48Å; M254-A297 WeakPolarHBondContact SD-CB 3.44Å; M254-S298 PolarHBondContact SD-N 2.93Å; M254-S298 PolarHBondContact SD-OG 3.43Å; M254-S298 VanDerWaalsContact SD-OG 3.37Å; M254-Q301 HydrophobicContact CE-CB 4.21Å
255T94.3Very high94.4Very high8 Ų836 Ų365%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-150.8165.6176.6-152.60000112.8W253 V262 S317 K318W253-T255 HydrophobicContact CZ3-CG2 3.93Å; T255-V262 HydrophobicContact CG2-CB 4.06Å; T255-V262 HydrophobicContact CG2-CG2 4.48Å; T255-V262 PolarHBondContact N-O 3.09Å; T255-V262 PolarHBondContact O-N 3.3Å; T255-S317 VanDerWaalsContact OG1-CA 3.24Å; T255-S317 WeakPolarHBondContact OG1-CA 3.36Å; T255-K318 HydrophobicContact CG2-CB 4.45Å; T255-K318 PolarHBondContact OG1-N 3.28Å
256C91.7Very high94.1Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-119.2129.6169.5630000110.7D260 W294C256-D260 CarbonylContact C-O 3.57Å; C256-D260 VanDerWaalsContact CA-O 3.29Å; C256-D260 WeakPolarHBondContact CA-O 3.38Å; C256-W294 HydrophobicContact CB-CB 3.82Å; C256-W294 HydrophobicContact CB-CG 4.14Å
257N90.8Very high93.3Very high82 Ų8235.5 Ų35.544%0.43920%0.204SC..EExtended strand (participates in β ladder)trans-130.6112174.2-17217.2000110.7R259 D260N257-R259 PolarHBondContact O-N 2.84Å; N257-R259 VanDerWaalsContact O-N 3.13Å; N257-D260 PolarHBondContact N-O 2.89Å; N257-D260 WeakPolarHBondContact O-CB 3.15Å; N257-D260 PolarHBondContact O-N 3.11Å
258G89.6Confident92.2Very high26 Ų2639.1 Ų39.127%0.26822%0.216SC..THydrogen-bonded Turntrans58.9-118.8-17500000110.9K287G258-K287 WeakPolarHBondContact O-CA 3.18Å; G258-K287 WeakPolarHBondContact O-CG 3.46Å
259R92.4Very high91.1Very high146 Ų14642.9 Ų42.955%0.55123%0.234SC*.THydrogen-bonded Turntrans-91.7-0.3176.7-56.5-172.7-172.2-178.35.6113.2N257 C284 D285N257-R259 PolarHBondContact O-N 2.84Å; N257-R259 VanDerWaalsContact O-N 3.13Å; R259-C284 WeakPolarHBondContact O-CB 3.49Å; R259-C284 PolarHBondContact O-N 3.45Å; R259-D285 PolarHBondContact NH1-O 3.44Å
260D95.1Very high90.1Very high49 Ų4944 Ų4426%0.26224%0.239SC..EExtended strand (participates in β ladder)trans-97.4127.7-175.9-62.5-16.5000110.8C256 N257 V262 Y282C256-D260 CarbonylContact C-O 3.57Å; C256-D260 VanDerWaalsContact CA-O 3.29Å; C256-D260 WeakPolarHBondContact CA-O 3.38Å; N257-D260 PolarHBondContact N-O 2.89Å; N257-D260 WeakPolarHBondContact O-CB 3.15Å; N257-D260 PolarHBondContact O-N 3.11Å; D260-V262 HydrophobicContact CB-CG2 4.22Å; D260-Y282 CarbonylContact C-O 3.58Å; D260-Y282 WeakPolarHBondContact CA-O 3.46Å
261F96.6Very high89.3Confident0 Ų047 Ų470%027%0.273CS..EExtended strand (participates in β ladder)trans-93.9125.2160.4172-119.5000108.2L227 M254 V263 Y282 L293 W294 A297L227-F261 HydrophobicContact CD2-CD1 3.95Å; L227-F261 HydrophobicContact CD2-CE1 3.98Å; M254-F261 HydrophobicContact CB-CE2 4.06Å; M254-F261 HydrophobicContact CB-CZ 4.38Å; M254-F261 HydrophobicContact SD-CE2 4.29Å; M254-F261 HydrophobicContact SD-CZ 4.4Å; F261-V263 HydrophobicContact CD1-CG2 3.98Å; F261-V263 HydrophobicContact CE1-CG2 3.26Å; F261-V263 HydrophobicContact CE2-CG2 4.19Å; F261-V263 HydrophobicContact CZ-CG2 3.39Å; F261-Y282 AromaticContact CD1-CD2 3.67Å; F261-Y282 HydrophobicContact CD1-CD2 3.67Å; F261-Y282 HydrophobicContact CD1-CE2 4.4Å; F261-Y282 HydrophobicContact CD1-CG 4.37Å; F261-Y282 HydrophobicContact CE1-CD2 4.2Å; F261-Y282 PolarHBondContact N-O 3.16Å; F261-Y282 WeakPolarHBondContact O-CB 3.38Å; F261-Y282 WeakPolarHBondContact O-CD2 3.28Å; F261-Y282 PolarHBondContact O-N 2.82Å; F261-L293 HydrophobicContact CB-CD2 3.8Å; F261-L293 HydrophobicContact CB-CG 4.43Å; F261-L293 HydrophobicContact CD1-CD2 3.5Å; F261-L293 VanDerWaalsContact CD1-CD2 3.5Å; F261-L293 HydrophobicContact CD1-CG 3.86Å; F261-L293 HydrophobicContact CD2-CG 4.37Å; F261-L293 HydrophobicContact CE1-CD2 4.18Å; F261-L293 HydrophobicContact CE1-CG 4.14Å; F261-L293 HydrophobicContact CG-CD2 3.72Å; F261-L293 HydrophobicContact CG-CG 3.97Å; F261-W294 HydrophobicContact CD2-CB 3.92Å; F261-W294 HydrophobicContact CE2-CB 4.07Å; F261-A297 HydrophobicContact CE2-CB 4.25Å; F261-A297 HydrophobicContact CZ-CB 3.79Å
262V96.3Very high88.1Confident7 Ų754.5 Ų54.54%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-119.3127.8-172.3-175.70000109.3W253 M254 T255 D260 T279 I280W253-V262 HydrophobicContact CH2-CG1 4.03Å; W253-V262 HydrophobicContact CZ3-CB 4.47Å; W253-V262 HydrophobicContact CZ3-CG1 3.94Å; M254-V262 CarbonylContact C-O 3.58Å; M254-V262 VanDerWaalsContact CA-O 3.23Å; M254-V262 WeakPolarHBondContact CA-O 3.31Å; T255-V262 HydrophobicContact CG2-CB 4.06Å; T255-V262 HydrophobicContact CG2-CG2 4.48Å; T255-V262 PolarHBondContact N-O 3.09Å; T255-V262 PolarHBondContact O-N 3.3Å; D260-V262 HydrophobicContact CB-CG2 4.22Å; V262-T279 HydrophobicContact CG1-CG2 3.34Å; V262-I280 WeakPolarHBondContact CA-O 3.04Å
263V96.5Very high87.3Confident0 Ų061.6 Ų61.60%032%0.323CS..EExtended strand (participates in β ladder)trans-121.3123.4179.5-177.70000108.6I251 F261 T265 I280 Y282I251-V263 HydrophobicContact CB-CG1 4.5Å; I251-V263 HydrophobicContact CD1-CG1 4.1Å; I251-V263 HydrophobicContact CG1-CG1 3.88Å; I251-V263 HydrophobicContact CG2-CG1 3.88Å; F261-V263 HydrophobicContact CD1-CG2 3.98Å; F261-V263 HydrophobicContact CE1-CG2 3.26Å; F261-V263 HydrophobicContact CE2-CG2 4.19Å; F261-V263 HydrophobicContact CZ-CG2 3.39Å; V263-T265 HydrophobicContact CG1-CG2 3.89Å; V263-I280 PolarHBondContact N-O 2.9Å; V263-I280 PolarHBondContact O-N 2.94Å; V263-Y282 HydrophobicContact CB-CE2 4.14Å; V263-Y282 HydrophobicContact CG2-CD2 4.21Å; V263-Y282 HydrophobicContact CG2-CE2 3.78Å
264A95.1Very high86.6Confident0 Ų066.4 Ų66.40%035%0.346CS..EExtended strand (participates in β ladder)trans-103.7121.717300000110.2S252 W253 T277 T278S252-A264 PolarHBondContact N-O 3.42Å; W253-A264 HydrophobicContact CD2-CB 3.59Å; W253-A264 HydrophobicContact CE3-CB 4.11Å; W253-A264 HydrophobicContact CG-CB 4.05Å; W253-A264 HydrophobicContact CH2-CB 3.95Å; W253-A264 HydrophobicContact CZ2-CB 3.43Å; W253-A264 VanDerWaalsContact CZ2-CB 3.43Å; W253-A264 HydrophobicContact CZ3-CB 4.26Å; W253-A264 PolarHBondContact O-N 2.92Å; A264-T277 HydrophobicContact CB-CG2 4.01Å; A264-T278 CarbonylContact C-O 3.55Å; A264-T278 WeakPolarHBondContact CA-O 2.94Å
265T94.1Very high85.9Confident2 Ų272.7 Ų72.71%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-114.6133.1-176.861.70000110.4Y246 A250 I251 V263 T277 T278 I280Y246-T265 HydrophobicContact CD1-CG2 3.67Å; Y246-T265 HydrophobicContact CE1-CG2 4.29Å; Y246-T265 HydrophobicContact CG-CG2 4.09Å; A250-T265 CarbonylContact O-C 3.56Å; A250-T265 VanDerWaalsContact O-CA 3.28Å; A250-T265 WeakPolarHBondContact O-CA 3.45Å; I251-T265 HydrophobicContact CG1-CG2 4.11Å; V263-T265 HydrophobicContact CG1-CG2 3.89Å; T265-T277 CarbonylContact O-C 3.51Å; T265-T277 WeakPolarHBondContact O-CA 3.38Å; T265-T278 PolarHBondContact N-O 3.32Å; T265-T278 PolarHBondContact O-N 2.94Å; T265-T278 PolarHBondContact OG1-O 3.2Å; T265-I280 HydrophobicContact CG2-CD1 4.23Å
266S90.7Very high85.4Confident27 Ų2774.8 Ų74.819%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-88.5116.7171.461.80000109.7A250A250-S266 PolarHBondContact O-N 3.13Å; A250-S266 PolarHBondContact O-OG 3.23Å
267C79.2Confident85.3Confident48 Ų4878.8 Ų78.832%0.32441%0.411SS..EExtended strand (participates in β ladder)trans-106.4132.8171.4-63.30000109T276C267-T276 PolarHBondContact N-O 3.47Å; C267-T276 PolarHBondContact O-N 3.22Å; C267-T276 PolarHBondContact O-OG1 3.41Å; C267-T276 VanDerWaalsContact O-OG1 3.09Å
268Q74.6Confident85.4Confident129 Ų12978.1 Ų78.160%0.60341%0.41SS*.  trans-99.2108.3167.5-174.11714.900107.4K275Q268-K275 HydrophobicContact CB-CG 4.47Å
269H72.6Confident85.6Confident88 Ų8879.9 Ų79.941%0.40742%0.416SS..  trans-72.2136.8174.3-74.2-72.1000109.9G271 R272 T276H269-G271 PolarHBondContact O-N 3.35Å; H269-R272 HydrophobicContact CB-CB 4.46Å; H269-R272 PolarHBondContact O-N 2.74Å; H269-T276 PolarHBondContact CD2-OG1 3.42Å
270P72.6Confident85.7Confident132 Ų13273.8 Ų73.886%0.85739%0.394SS*.THydrogen-bonded Turntrans-55.4127.3172.221.4-29.9000109.3
271G77.6Confident85.8Confident89 Ų8975.2 Ų75.292%0.91840%0.399SS*.THydrogen-bonded Turntrans92.6-9.4-176.500000116.4H269H269-G271 PolarHBondContact O-N 3.35Å
272R70.6Confident85.8Confident164 Ų16475.2 Ų75.262%0.61940%0.399SS*.  trans-108.3124.4174.7-72.9-173.4168115.4-1111.7H269 K274H269-R272 HydrophobicContact CB-CB 4.46Å; H269-R272 PolarHBondContact O-N 2.74Å; R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.44Å
273K74.5Confident85.8Confident212 Ų21280.5 Ų80.592%0.92242%0.421SS*.SBendtrans-67.6-28.4174.1-67-173.5-179.9-179.60113
274K79Confident85.7Confident177 Ų17780.7 Ų80.777%0.7742%0.422SS*.SBendtrans-90.2129.1-179.1-70.9-175.5179.3178.70111R272R272-K274 VanDerWaalsContact C-N 3.31Å; R272-K274 PolarHBondContact O-N 3.44Å
275K79.4Confident85.6Confident140 Ų14084.4 Ų84.461%0.60944%0.442SS*.PPolyproline II helixtrans-68.6127.6170-65.6-176.9179.3-1780109.3Q268Q268-K275 HydrophobicContact CB-CG 4.47Å
276T84.8Confident85.4Confident53 Ų5385.7 Ų85.733%0.32545%0.449SS..EExtended strand (participates in β ladder)trans-95.3123.8174.147.90000109.3C267 H269C267-T276 PolarHBondContact N-O 3.47Å; C267-T276 PolarHBondContact O-N 3.22Å; C267-T276 PolarHBondContact O-OG1 3.41Å; C267-T276 VanDerWaalsContact O-OG1 3.09Å; H269-T276 PolarHBondContact CD2-OG1 3.42Å
277T88.7Confident85.3Confident83 Ų8389.3 Ų89.351%0.50946%0.461SS..EExtended strand (participates in β ladder)trans-88.8116.2176.1-56.10000109.5A264 T265A264-T277 HydrophobicContact CB-CG2 4.01Å; T265-T277 CarbonylContact O-C 3.51Å; T265-T277 WeakPolarHBondContact O-CA 3.38Å
278T92.2Very high85.9Confident68 Ų6887.5 Ų87.542%0.41745%0.449SS..EExtended strand (participates in β ladder)trans-100.3128.7174.6-58.40000109.1A264 T265 I280A264-T278 CarbonylContact C-O 3.55Å; A264-T278 WeakPolarHBondContact CA-O 2.94Å; T265-T278 PolarHBondContact N-O 3.32Å; T265-T278 PolarHBondContact O-N 2.94Å; T265-T278 PolarHBondContact OG1-O 3.2Å; T278-I280 HydrophobicContact CG2-CG1 4.41Å
279T94.6Very high86.7Confident64 Ų6482.7 Ų82.739%0.39343%0.428SS..EExtended strand (participates in β ladder)trans-105.1124.1178.5-55.60000109.9W253 V262W253-T279 HydrophobicContact CH2-CG2 4.09Å; V262-T279 HydrophobicContact CG1-CG2 3.34Å
280I95.4Very high87.7Confident17 Ų1778.5 Ų78.59%0.08741%0.409CS..EExtended strand (participates in β ladder)trans-112.1132.3-177.6-53.6153.9000108.4Y246 V262 V263 T265 T278 Y282Y246-I280 HydrophobicContact CD1-CD1 4.21Å; Y246-I280 HydrophobicContact CD2-CD1 4.37Å; Y246-I280 HydrophobicContact CE1-CD1 3.52Å; Y246-I280 HydrophobicContact CE2-CD1 3.73Å; Y246-I280 VanDerWaalsContact OH-CD1 3.28Å; Y246-I280 WeakPolarHBondContact OH-CD1 3.47Å; V262-I280 WeakPolarHBondContact CA-O 3.04Å; V263-I280 PolarHBondContact N-O 2.9Å; V263-I280 PolarHBondContact O-N 2.94Å; T265-I280 HydrophobicContact CG2-CD1 4.23Å; T278-I280 HydrophobicContact CG2-CG1 4.41Å; I280-Y282 HydrophobicContact CB-CE2 4.19Å; I280-Y282 HydrophobicContact CG2-CD1 4.46Å; I280-Y282 HydrophobicContact CG2-CD2 4.34Å; I280-Y282 HydrophobicContact CG2-CE1 3.85Å; I280-Y282 HydrophobicContact CG2-CE2 3.72Å; I280-Y282 VanDerWaalsContact CG2-CZ 3.45Å
281H96Very high88.6Confident79 Ų7973.9 Ų73.937%0.36638%0.376SS..EExtended strand (participates in β ladder)trans-111.7120.7-179.8-70.6-113.7000110T217T217-H281 PolarHBondContact OG1-O 3.27Å
282Y97.4Very high89.4Confident0 Ų069.8 Ų69.80%033%0.333CS..EExtended strand (participates in β ladder)trans-108.5106.7175.3-56.3-77.7000109.9V215 K216 I225 L227 E236 Y246 D260 F261 V263 I280 C284V215-Y282 HydrophobicContact CG2-CD1 3.86Å; V215-Y282 HydrophobicContact CG2-CG 4.42Å; K216-Y282 CarbonylContact O-C 3.56Å; K216-Y282 WeakPolarHBondContact O-CA 3.36Å; I225-Y282 HydrophobicContact CD1-CE1 4.47Å; L227-Y282 HydrophobicContact CD1-CD1 4.09Å; L227-Y282 HydrophobicContact CD1-CE1 3.69Å; L227-Y282 HydrophobicContact CD1-CE2 4.38Å; L227-Y282 HydrophobicContact CD2-CD2 4.44Å; L227-Y282 HydrophobicContact CD2-CG 4.41Å; E236-Y282 HydrophobicContact CG-CE1 4.28Å; E236-Y282 WeakPolarHBondContact OE1-CE1 3.23Å; E236-Y282 PolarHBondContact OE1-OH 3.39Å; E236-Y282 VanDerWaalsContact OE1-OH 3.06Å; Y246-Y282 WeakPolarHBondContact CE2-OH 3.12Å; D260-Y282 CarbonylContact C-O 3.58Å; D260-Y282 WeakPolarHBondContact CA-O 3.46Å; F261-Y282 AromaticContact CD1-CD2 3.67Å; F261-Y282 HydrophobicContact CD1-CD2 3.67Å; F261-Y282 HydrophobicContact CD1-CE2 4.4Å; F261-Y282 HydrophobicContact CD1-CG 4.37Å; F261-Y282 HydrophobicContact CE1-CD2 4.2Å; F261-Y282 PolarHBondContact N-O 3.16Å; F261-Y282 WeakPolarHBondContact O-CB 3.38Å; F261-Y282 WeakPolarHBondContact O-CD2 3.28Å; F261-Y282 PolarHBondContact O-N 2.82Å; V263-Y282 HydrophobicContact CB-CE2 4.14Å; V263-Y282 HydrophobicContact CG2-CD2 4.21Å; V263-Y282 HydrophobicContact CG2-CE2 3.78Å; I280-Y282 HydrophobicContact CB-CE2 4.19Å; I280-Y282 HydrophobicContact CG2-CD1 4.46Å; I280-Y282 HydrophobicContact CG2-CD2 4.34Å; I280-Y282 HydrophobicContact CG2-CE1 3.85Å; I280-Y282 HydrophobicContact CG2-CE2 3.72Å; I280-Y282 VanDerWaalsContact CG2-CZ 3.45Å; Y282-C284 PolarHBondContact O-N 3.22Å
283K96.4Very high90.5Very high119 Ų11962 Ų6252%0.51730%0.304SS..EExtended strand (participates in β ladder)trans-79.9113176.2-175.1173.3-176.21750109.7V215 K216V215-K283 CarbonylContact C-O 3.6Å; V215-K283 WeakPolarHBondContact CA-O 3.44Å; K216-K283 HydrophobicContact CB-CB 4.32Å; K216-K283 PolarHBondContact N-O 3.42Å; K216-K283 PolarHBondContact O-N 2.94Å
284C94.5Very high91.5Very high4 Ų451.9 Ų51.93%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-86.5166.6176.2-560000111R259 Y282 N286 V289 A290R259-C284 WeakPolarHBondContact O-CB 3.49Å; R259-C284 PolarHBondContact O-N 3.45Å; Y282-C284 PolarHBondContact O-N 3.22Å; C284-N286 VanDerWaalsContact C-N 3.33Å; C284-N286 PolarHBondContact O-N 2.92Å; C284-V289 HydrophobicContact CB-CB 4.32Å; C284-V289 HydrophobicContact CB-CG1 4.01Å; C284-A290 HydrophobicContact CB-CB 4Å
285D92.1Very high92.2Very high77 Ų7746 Ų4641%0.41224%0.235SC..SBendtrans-60.7-43.2179.3-67.2-19.3000111.8R259R259-D285 PolarHBondContact NH1-O 3.44Å
286N90.1Very high93Very high29 Ų2940.3 Ų40.316%0.15521%0.21CC..SBendtrans-142.9170.2179.569.552.7000112.4C284 S288 V289 A290C284-N286 VanDerWaalsContact C-N 3.33Å; C284-N286 PolarHBondContact O-N 2.92Å; N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 WeakPolarHBondContact OD1-CA 3.43Å; N286-S288 WeakPolarHBondContact OD1-CB 3.34Å; N286-S288 PolarHBondContact OD1-N 3.47Å; N286-V289 WeakPolarHBondContact OD1-CG2 3.33Å; N286-V289 PolarHBondContact OD1-N 3.02Å; N286-A290 PolarHBondContact O-N 2.89Å
287K89.9Confident93.6Very high104 Ų10437.8 Ų37.845%0.45219%0.194SC..Hα-helixtrans-68.2-31.6-178.3176.8-178.2-179.5-167.30112.8G258 Q291 R326G258-K287 WeakPolarHBondContact O-CA 3.18Å; G258-K287 WeakPolarHBondContact O-CG 3.46Å; K287-Q291 WeakPolarHBondContact O-CB 3.21Å; K287-Q291 PolarHBondContact O-N 3.45Å; K287-R326 VanDerWaalsContact CE-NH2 3.29Å
288S90Very high93.9Very high9 Ų933.9 Ų33.96%0.06317%0.171CC..Hα-helixtrans-66.4-45.5178.4-171.80000110.5R65 N286 Q291 A292R65-S288 PolarHBondContact NH2-OG 3.5Å; N286-S288 VanDerWaalsContact C-N 3.34Å; N286-S288 WeakPolarHBondContact OD1-CA 3.43Å; N286-S288 WeakPolarHBondContact OD1-CB 3.34Å; N286-S288 PolarHBondContact OD1-N 3.47Å; S288-Q291 PolarHBondContact O-N 2.76Å; S288-A292 WeakPolarHBondContact O-CB 3.36Å; S288-A292 PolarHBondContact O-N 3.22Å
289V92.9Very high94.1Very high28 Ų2831.1 Ų31.117%0.1715%0.153CC..Hα-helixtrans-61.7-46.5175.7174.10000111.2T63 I213 C284 N286 Q291 A292 L293T63-V289 HydrophobicContact CG2-CG2 3.99Å; I213-V289 HydrophobicContact CG2-CG1 3.79Å; C284-V289 HydrophobicContact CB-CB 4.32Å; C284-V289 HydrophobicContact CB-CG1 4.01Å; N286-V289 WeakPolarHBondContact OD1-CG2 3.33Å; N286-V289 PolarHBondContact OD1-N 3.02Å; V289-Q291 VanDerWaalsContact C-N 3.28Å; V289-Q291 PolarHBondContact O-N 3.38Å; V289-A292 PolarHBondContact O-N 2.98Å; V289-L293 VanDerWaalsContact O-CB 3.25Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 PolarHBondContact O-N 3.37Å
290A93.3Very high94.1Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-61.3-37.5177.600000112.5C284 N286 W294C284-A290 HydrophobicContact CB-CB 4Å; N286-A290 PolarHBondContact O-N 2.89Å; A290-W294 WeakPolarHBondContact O-CB 3.26Å; A290-W294 PolarHBondContact O-N 2.98Å; A290-W294 VanDerWaalsContact O-N 3.11Å
291Q92Very high94.2Very high35 Ų3529.7 Ų29.716%0.16414%0.141CC..Hα-helixtrans-68.9-49.4175.7179.1-178.7-21.700111.6K287 S288 V289 L293 W294 E295K287-Q291 WeakPolarHBondContact O-CB 3.21Å; K287-Q291 PolarHBondContact O-N 3.45Å; S288-Q291 PolarHBondContact O-N 2.76Å; V289-Q291 VanDerWaalsContact C-N 3.28Å; V289-Q291 PolarHBondContact O-N 3.38Å; Q291-L293 VanDerWaalsContact C-N 3.3Å; Q291-L293 PolarHBondContact O-N 2.89Å; Q291-W294 PolarHBondContact O-N 2.9Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.5Å; Q291-E295 PolarHBondContact NE2-OE1 2.99Å; Q291-E295 WeakPolarHBondContact O-CG 3.47Å; Q291-E295 PolarHBondContact O-N 2.55Å
292A92.7Very high94.1Very high3 Ų327 Ų273%0.02513%0.129CC..Hα-helixtrans-57.1-47.5178.300000110.4T63 S288 V289 W294 E295 W296T63-A292 HydrophobicContact CG2-CB 4.41Å; S288-A292 WeakPolarHBondContact O-CB 3.36Å; S288-A292 PolarHBondContact O-N 3.22Å; V289-A292 PolarHBondContact O-N 2.98Å; A292-W294 VanDerWaalsContact C-N 3.33Å; A292-W294 PolarHBondContact O-N 2.8Å; A292-E295 PolarHBondContact O-N 2.8Å; A292-W296 HydrophobicContact CB-CZ2 4.2Å; A292-W296 WeakPolarHBondContact O-CB 3.43Å; A292-W296 PolarHBondContact O-N 3.48Å; A292-W296 PolarHBondContact O-NE1 3.1Å
293L95.2Very high94.1Very high0 Ų027 Ų270%013%0.129CC..Hα-helixtrans-58-42.3177175.361.1000112.7I213 L227 L229 F261 V289 Q291 W296 A297I213-L293 HydrophobicContact CD1-CB 4.09Å; I213-L293 HydrophobicContact CD1-CD1 3.5Å; I213-L293 HydrophobicContact CD1-CD2 4.42Å; I213-L293 HydrophobicContact CD1-CG 4.19Å; L227-L293 HydrophobicContact CD2-CD1 4.03Å; L227-L293 HydrophobicContact CD2-CD2 3.72Å; L227-L293 HydrophobicContact CD2-CG 4.4Å; L229-L293 HydrophobicContact CD1-CD1 3.8Å; L229-L293 HydrophobicContact CD2-CD1 4.14Å; L229-L293 HydrophobicContact CG-CD1 4.09Å; F261-L293 HydrophobicContact CB-CD2 3.8Å; F261-L293 HydrophobicContact CB-CG 4.43Å; F261-L293 HydrophobicContact CD1-CD2 3.5Å; F261-L293 VanDerWaalsContact CD1-CD2 3.5Å; F261-L293 HydrophobicContact CD1-CG 3.86Å; F261-L293 HydrophobicContact CD2-CG 4.37Å; F261-L293 HydrophobicContact CE1-CD2 4.18Å; F261-L293 HydrophobicContact CE1-CG 4.14Å; F261-L293 HydrophobicContact CG-CD2 3.72Å; F261-L293 HydrophobicContact CG-CG 3.97Å; V289-L293 VanDerWaalsContact O-CB 3.25Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 PolarHBondContact O-N 3.37Å; Q291-L293 VanDerWaalsContact C-N 3.3Å; Q291-L293 PolarHBondContact O-N 2.89Å; L293-W296 PolarHBondContact O-N 2.86Å; L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.4Å; L293-A297 PolarHBondContact O-N 2.8Å
294W95.4Very high94Very high1 Ų122.4 Ų22.40%0.00411%0.109CC..Hα-helixtrans-64.1-44.1175.7168.667.5000112.7M254 C256 F261 A290 Q291 A292 W296 A297 S298 V315 R326 F328M254-W294 PolarHBondContact O-NE1 3.42Å; C256-W294 HydrophobicContact CB-CB 3.82Å; C256-W294 HydrophobicContact CB-CG 4.14Å; F261-W294 HydrophobicContact CD2-CB 3.92Å; F261-W294 HydrophobicContact CE2-CB 4.07Å; A290-W294 WeakPolarHBondContact O-CB 3.26Å; A290-W294 PolarHBondContact O-N 2.98Å; A290-W294 VanDerWaalsContact O-N 3.11Å; Q291-W294 PolarHBondContact O-N 2.9Å; A292-W294 VanDerWaalsContact C-N 3.33Å; A292-W294 PolarHBondContact O-N 2.8Å; W294-W296 VanDerWaalsContact C-N 3.34Å; W294-A297 PolarHBondContact O-N 3.13Å; W294-S298 PolarHBondContact NE1-OG 3.28Å; W294-S298 VanDerWaalsContact O-CB 3.3Å; W294-S298 WeakPolarHBondContact O-CB 3.48Å; W294-S298 PolarHBondContact O-N 3.21Å; W294-S298 PolarHBondContact O-OG 2.97Å; W294-V315 HydrophobicContact CZ2-CG1 4.17Å; W294-R326 HydrophobicContact CH2-CB 4.29Å; W294-R326 HydrophobicContact CZ3-CB 4.14Å; W294-F328 HydrophobicContact CH2-CB 3.59Å; W294-F328 HydrophobicContact CZ2-CB 4.02Å; W294-F328 HydrophobicContact CZ3-CB 4.11Å
295E94.3Very high94Very high52 Ų5224.5 Ų24.524%0.24312%0.122CC..Hα-helixtrans-62.5-43.6176.6-69.1173.4-170.900110.5Q291 A292 S298 D299 F328Q291-E295 WeakPolarHBondContact CG-OE1 3.5Å; Q291-E295 PolarHBondContact NE2-OE1 2.99Å; Q291-E295 WeakPolarHBondContact O-CG 3.47Å; Q291-E295 PolarHBondContact O-N 2.55Å; A292-E295 PolarHBondContact O-N 2.8Å; E295-S298 PolarHBondContact O-N 2.87Å; E295-D299 VanDerWaalsContact O-CB 3.24Å; E295-D299 WeakPolarHBondContact O-CB 3.5Å; E295-D299 PolarHBondContact O-N 2.98Å; E295-F328 HydrophobicContact CB-CD2 4.13Å; E295-F328 HydrophobicContact CB-CE2 4.37Å; E295-F328 HydrophobicContact CG-CD2 4.14Å
296W95.4Very high94Very high21 Ų2122 Ų228%0.0811%0.109CC..Hα-helixtrans-66.8-41.7179.8-59.2-0.2000112.7K64 W66 I213 L229 A292 L293 W294 R300K64-W296 HydrophobicContact CB-CH2 3.82Å; K64-W296 HydrophobicContact CB-CZ2 4.05Å; K64-W296 WeakPolarHBondContact O-CZ2 3.48Å; W66-W296 AromaticContact CD1-CD1 3.37Å; W66-W296 AromaticContact CD1-CE2 3.75Å; W66-W296 AromaticContact CD1-CG 3.91Å; W66-W296 AromaticContact CD1-NE1 3.28Å; W66-W296 VanDerWaalsContact CD1-NE1 3.28Å; W66-W296 AromaticContact NE1-CD1 3.97Å; W66-W296 AromaticContact NE1-CE2 3.92Å; W66-W296 AromaticContact NE1-NE1 3.91Å; I213-W296 HydrophobicContact CD1-CE3 4.04Å; I213-W296 HydrophobicContact CD1-CZ3 3.75Å; L229-W296 HydrophobicContact CD1-CB 3.74Å; A292-W296 HydrophobicContact CB-CZ2 4.2Å; A292-W296 WeakPolarHBondContact O-CB 3.43Å; A292-W296 PolarHBondContact O-N 3.48Å; A292-W296 PolarHBondContact O-NE1 3.1Å; L293-W296 PolarHBondContact O-N 2.86Å; W294-W296 VanDerWaalsContact C-N 3.34Å; W296-R300 WeakPolarHBondContact O-CG 3.31Å; W296-R300 PolarHBondContact O-N 3.19Å; W296-R300 VanDerWaalsContact O-N 3.09Å
297A96.8Very high94Very high0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-68.4-40177.900000111.1L229 W248 M254 F261 L293 W294 Q301L229-A297 HydrophobicContact CD1-CB 3.93Å; L229-A297 HydrophobicContact CD2-CB 3.97Å; W248-A297 HydrophobicContact CH2-CB 4.36Å; W248-A297 HydrophobicContact CZ3-CB 4.46Å; M254-A297 HydrophobicContact CE-CB 3.99Å; M254-A297 VanDerWaalsContact SD-C 3.53Å; M254-A297 HydrophobicContact SD-CB 3.48Å; M254-A297 WeakPolarHBondContact SD-CB 3.44Å; F261-A297 HydrophobicContact CE2-CB 4.25Å; F261-A297 HydrophobicContact CZ-CB 3.79Å; L293-A297 VanDerWaalsContact O-CB 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.4Å; L293-A297 PolarHBondContact O-N 2.8Å; W294-A297 PolarHBondContact O-N 3.13Å; A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 3.06Å
298S95.6Very high94Very high2 Ų227 Ų271%0.01413%0.134CC..Hα-helixtrans-64.9-45.1177.8-58.40000111M254 W294 E295 L302M254-S298 PolarHBondContact SD-N 2.93Å; M254-S298 PolarHBondContact SD-OG 3.43Å; M254-S298 VanDerWaalsContact SD-OG 3.37Å; W294-S298 PolarHBondContact NE1-OG 3.28Å; W294-S298 VanDerWaalsContact O-CB 3.3Å; W294-S298 WeakPolarHBondContact O-CB 3.48Å; W294-S298 PolarHBondContact O-N 3.21Å; W294-S298 PolarHBondContact O-OG 2.97Å; E295-S298 PolarHBondContact O-N 2.87Å; S298-L302 WeakPolarHBondContact O-CB 3.13Å; S298-L302 VanDerWaalsContact O-CG 3.22Å; S298-L302 WeakPolarHBondContact O-CG 3.37Å; S298-L302 PolarHBondContact O-N 3.14Å
299D95.6Very high94Very high9 Ų928.1 Ų28.15%0.04814%0.142CC..Hα-helixtrans-58.3-49.9176.7-175.178.1000112K90 H91 E295 L302 F303 F328K90-D299 WeakPolarHBondContact CE-OD2 3.44Å; K90-D299 IonicContact NZ-OD1 2.59Å; K90-D299 PolarHBondContact NZ-OD1 3.43Å; K90-D299 IonicContact NZ-OD2 2.95Å; K90-D299 PolarHBondContact NZ-OD2 2.9Å; H91-D299 IonicContact CE1-OD2 3.1Å; H91-D299 PolarHBondContact CE1-OD2 2.78Å; H91-D299 IonicContact NE2-OD2 3.1Å; H91-D299 PolarHBondContact NE2-OD2 2.91Å; E295-D299 VanDerWaalsContact O-CB 3.24Å; E295-D299 WeakPolarHBondContact O-CB 3.5Å; E295-D299 PolarHBondContact O-N 2.98Å; D299-L302 PolarHBondContact O-N 3.29Å; D299-F303 WeakPolarHBondContact O-CB 3.29Å; D299-F303 PolarHBondContact O-N 3.27Å; D299-F328 HydrophobicContact CB-CE1 4.32Å; D299-F328 HydrophobicContact CB-CE2 4.26Å; D299-F328 HydrophobicContact CB-CZ 3.6Å
300R96Very high93.6Very high19 Ų1931.8 Ų31.87%0.07217%0.169CC..Hα-helixtrans-65.5-44.8178.6-73-175.6175.5113.7-2.8113K90 W248 W296 L302 F303 F304K90-R300 PolarHBondContact O-NE 3.1Å; K90-R300 PolarHBondContact O-NH2 3.38Å; W248-R300 HydrophobicContact CH2-CB 4.2Å; W248-R300 HydrophobicContact CZ2-CB 3.81Å; W296-R300 WeakPolarHBondContact O-CG 3.31Å; W296-R300 PolarHBondContact O-N 3.19Å; W296-R300 VanDerWaalsContact O-N 3.09Å; R300-L302 VanDerWaalsContact C-N 3.27Å; R300-L302 PolarHBondContact O-N 3.1Å; R300-F303 PolarHBondContact O-N 3.29Å; R300-F304 HydrophobicContact CB-CD2 4.39Å; R300-F304 HydrophobicContact CB-CE2 4.49Å; R300-F304 WeakPolarHBondContact O-CD2 3.4Å; R300-F304 PolarHBondContact O-N 2.99Å
301Q95.9Very high93.2Very high32 Ų3235.6 Ų35.615%0.1520%0.195CC..Hα-helixtrans-56-48.3176.8-175.7179.817.700110.1W248 I251 M254 A297 T305W248-Q301 HydrophobicContact CB-CG 4.29Å; W248-Q301 HydrophobicContact CD2-CB 4.11Å; W248-Q301 HydrophobicContact CD2-CG 4.39Å; W248-Q301 HydrophobicContact CE3-CB 3.58Å; W248-Q301 HydrophobicContact CE3-CG 3.9Å; W248-Q301 HydrophobicContact CZ3-CB 3.98Å; W248-Q301 PolarHBondContact O-NE2 3.41Å; I251-Q301 PolarHBondContact O-NE2 3Å; I251-Q301 VanDerWaalsContact O-NE2 3.11Å; M254-Q301 HydrophobicContact CE-CB 4.21Å; A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 3.06Å; Q301-T305 HydrophobicContact CG-CG2 4.39Å; Q301-T305 WeakPolarHBondContact O-CB 3.25Å; Q301-T305 WeakPolarHBondContact O-CG2 3.34Å; Q301-T305 PolarHBondContact O-N 3.11Å; Q301-T305 PolarHBondContact O-OG1 2.74Å
302L95.2Very high92.9Very high23 Ų2335.7 Ų35.712%0.1220%0.199CC..Hα-helixtrans-64.5-46.3179.6-69.9172.7000111.2S298 D299 R300 F304 L306 V312 V315 F328 F330S298-L302 WeakPolarHBondContact O-CB 3.13Å; S298-L302 VanDerWaalsContact O-CG 3.22Å; S298-L302 WeakPolarHBondContact O-CG 3.37Å; S298-L302 PolarHBondContact O-N 3.14Å; D299-L302 PolarHBondContact O-N 3.29Å; R300-L302 VanDerWaalsContact C-N 3.27Å; R300-L302 PolarHBondContact O-N 3.1Å; L302-F304 PolarHBondContact O-N 3.29Å; L302-L306 HydrophobicContact CB-CD1 3.64Å; L302-L306 HydrophobicContact CB-CG 4.17Å; L302-L306 HydrophobicContact CD2-CD1 3.86Å; L302-L306 HydrophobicContact CD2-CD2 3.93Å; L302-L306 HydrophobicContact CD2-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 4.3Å; L302-L306 WeakPolarHBondContact O-CB 3.48Å; L302-L306 VanDerWaalsContact O-CD1 3.23Å; L302-L306 WeakPolarHBondContact O-CD1 3.38Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 2.92Å; L302-L306 VanDerWaalsContact O-N 3.1Å; L302-V312 HydrophobicContact CD1-CG1 4.23Å; L302-V312 HydrophobicContact CD2-CG1 4.4Å; L302-V315 HydrophobicContact CD1-CG2 4.03Å; L302-F328 HydrophobicContact CD1-CD1 4.31Å; L302-F328 HydrophobicContact CD1-CE1 3.97Å; L302-F330 HydrophobicContact CB-CD2 3.75Å; L302-F330 HydrophobicContact CB-CE2 4.06Å; L302-F330 HydrophobicContact CB-CG 4.14Å; L302-F330 HydrophobicContact CD1-CB 3.77Å; L302-F330 HydrophobicContact CD1-CD2 4.23Å; L302-F330 HydrophobicContact CD1-CG 4.2Å
303F96.3Very high92.4Very high1 Ų144.2 Ų44.20%0.00424%0.235CC..Hα-helixtrans-56.1-46.8178.1-179.7-103.1000113.1E47 Y48 H91 D299 R300 F330 R335 V338E47-F303 HydrophobicContact CB-CD2 4.5Å; E47-F303 HydrophobicContact CB-CE2 3.79Å; Y48-F303 HydrophobicContact CD1-CE1 4.09Å; Y48-F303 AromaticContact CD1-CZ 3.89Å; Y48-F303 HydrophobicContact CD1-CZ 3.89Å; Y48-F303 AromaticContact CE1-CE1 3.71Å; Y48-F303 HydrophobicContact CE1-CE1 3.71Å; Y48-F303 AromaticContact CE1-CZ 3.58Å; Y48-F303 HydrophobicContact CE1-CZ 3.58Å; Y48-F303 HydrophobicContact CE2-CZ 4.45Å; Y48-F303 HydrophobicContact CG-CZ 4.43Å; Y48-F303 AromaticContact CZ-CZ 3.89Å; H91-F303 HydrophobicContact CB-CD1 3.7Å; H91-F303 HydrophobicContact CB-CE1 3.5Å; H91-F303 HydrophobicContact CB-CG 4.45Å; H91-F303 HydrophobicContact CB-CZ 4.13Å; H91-F303 AromaticContact CD2-CD1 3.45Å; H91-F303 VanDerWaalsContact CD2-CD1 3.45Å; H91-F303 WeakPolarHBondContact CD2-CD1 3.25Å; H91-F303 AromaticContact CD2-CG 3.58Å; H91-F303 AromaticContact CE1-CG 3.87Å; H91-F303 AromaticContact CG-CD1 3.49Å; H91-F303 VanDerWaalsContact CG-CD1 3.49Å; H91-F303 AromaticContact CG-CE1 3.73Å; H91-F303 AromaticContact CG-CG 3.77Å; H91-F303 AromaticContact ND1-CG 3.96Å; H91-F303 WeakPolarHBondContact NE2-CB 3.13Å; H91-F303 AromaticContact NE2-CG 3.67Å; D299-F303 WeakPolarHBondContact O-CB 3.29Å; D299-F303 PolarHBondContact O-N 3.27Å; R300-F303 PolarHBondContact O-N 3.29Å; F303-F330 HydrophobicContact CB-CE2 4.23Å; F303-F330 HydrophobicContact CB-CZ 4.42Å; F303-R335 HydrophobicContact CD1-CB 4.21Å; F303-R335 HydrophobicContact CE1-CB 3.83Å; F303-R335 HydrophobicContact CE1-CG 4.43Å; F303-R335 HydrophobicContact CE2-CB 4.31Å; F303-R335 HydrophobicContact CZ-CB 3.89Å; F303-R335 VanDerWaalsContact O-CB 3.29Å; F303-R335 WeakPolarHBondContact O-CB 3.31Å; F303-R335 PolarHBondContact O-N 2.64Å; F303-V338 HydrophobicContact CE2-CG2 4.39Å
304F95.8Very high91.7Very high21 Ų2147.6 Ų47.69%0.09226%0.257CS..Hα-helixtrans-84.6-28.1-174.6-71.4-67.7000114.7H91 Y92 H231 R300 L302H91-F304 HydrophobicContact CB-CE2 4.38Å; H91-F304 HydrophobicContact CB-CZ 4.02Å; Y92-F304 VanDerWaalsContact O-CZ 3.3Å; Y92-F304 WeakPolarHBondContact O-CZ 3.43Å; H231-F304 HydrophobicContact CB-CD1 4.39Å; H231-F304 HydrophobicContact CB-CE1 3.82Å; H231-F304 HydrophobicContact CB-CE2 4.07Å; H231-F304 HydrophobicContact CB-CZ 3.65Å; R300-F304 HydrophobicContact CB-CD2 4.39Å; R300-F304 HydrophobicContact CB-CE2 4.49Å; R300-F304 WeakPolarHBondContact O-CD2 3.4Å; R300-F304 PolarHBondContact O-N 2.99Å; L302-F304 PolarHBondContact O-N 3.29Å
305T93.9Very high91.1Very high49 Ų4949.5 Ų49.530%0.30127%0.269SS..Hα-helixtrans-102.3-24-173.465.10000114.9W248 Q301 R336W248-T305 HydrophobicContact CB-CG2 3.4Å; W248-T305 HydrophobicContact CG-CG2 4.31Å; Q301-T305 HydrophobicContact CG-CG2 4.39Å; Q301-T305 WeakPolarHBondContact O-CB 3.25Å; Q301-T305 WeakPolarHBondContact O-CG2 3.34Å; Q301-T305 PolarHBondContact O-N 3.11Å; Q301-T305 PolarHBondContact O-OG1 2.74Å; T305-R336 PolarHBondContact O-NH2 3.11Å
306L92Very high90.3Very high25 Ų2553.9 Ų53.913%0.13129%0.287CS..  trans-66.5141.8-175-74.2169.9000112.7L302 V312 F330 C334 R336L302-L306 HydrophobicContact CB-CD1 3.64Å; L302-L306 HydrophobicContact CB-CG 4.17Å; L302-L306 HydrophobicContact CD2-CD1 3.86Å; L302-L306 HydrophobicContact CD2-CD2 3.93Å; L302-L306 HydrophobicContact CD2-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 4.3Å; L302-L306 WeakPolarHBondContact O-CB 3.48Å; L302-L306 VanDerWaalsContact O-CD1 3.23Å; L302-L306 WeakPolarHBondContact O-CD1 3.38Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 2.92Å; L302-L306 VanDerWaalsContact O-N 3.1Å; L306-V312 HydrophobicContact CD1-CG2 3.17Å; L306-V312 HydrophobicContact CD2-CG2 3.75Å; L306-V312 HydrophobicContact CG-CG2 4.09Å; L306-F330 HydrophobicContact CD1-CD1 4.24Å; L306-F330 HydrophobicContact CD1-CE1 4.23Å; L306-C334 HydrophobicContact CB-CB 3.76Å; L306-C334 HydrophobicContact CD1-CB 4.44Å; L306-C334 PolarHBondContact O-SG 2.79Å; L306-C334 VanDerWaalsContact O-SG 3.34Å; L306-R336 PolarHBondContact O-NE 3.11Å
307D90.2Very high89.2Confident105 Ų10553 Ų5356%0.56128%0.284SS*.SBendtrans-75.1-46.3170.9-51-40.4000111.2R336D307-R336 IonicContact OD1-CZ 3.16Å; D307-R336 IonicContact OD1-NH1 2.66Å; D307-R336 PolarHBondContact OD1-NH1 3.29Å; D307-R336 IonicContact OD1-NH2 2.98Å; D307-R336 PolarHBondContact OD1-NH2 3.35Å
308K89.8Confident87.8Confident131 Ų13158.7 Ų58.757%0.5731%0.308SS*.  trans-142.6142.5179.8-64.5-174.9179.6-178.40109.9S310 S311 E337K308-S310 VanDerWaalsContact C-N 3.33Å; K308-S311 PolarHBondContact O-OG 2.85Å; K308-S311 VanDerWaalsContact O-OG 3.05Å; K308-E337 VanDerWaalsContact CA-OE1 3.28Å; K308-E337 WeakPolarHBondContact CA-OE1 3.48Å
309S89.3Confident86.2Confident33 Ų3360.7 Ų60.723%0.23132%0.317CS..G310 helixtrans-73.5-25.6178.6570000112.8S311 V312 G332 E337S309-S311 PolarHBondContact O-N 2.98Å; S309-V312 VanDerWaalsContact O-CG2 3.26Å; S309-V312 WeakPolarHBondContact O-CG2 3.29Å; S309-V312 PolarHBondContact O-N 3.12Å; S309-G332 VanDerWaalsContact CB-O 3.3Å; S309-G332 WeakPolarHBondContact CB-O 3.49Å; S309-E337 WeakPolarHBondContact CB-OE2 3.41Å; S309-E337 PolarHBondContact N-OE1 2.8Å; S309-E337 PolarHBondContact N-OE2 3.14Å; S309-E337 VanDerWaalsContact OG-CD 3.27Å; S309-E337 PolarHBondContact OG-OE1 3.2Å; S309-E337 VanDerWaalsContact OG-OE1 3.12Å; S309-E337 PolarHBondContact OG-OE2 2.88Å
310S86.1Confident84.2Confident105 Ų10563.8 Ų63.873%0.73434%0.344SS*.G310 helixtrans-67.9-18.7-179.9600000114.5K308K308-S310 VanDerWaalsContact C-N 3.33Å
311S84.1Confident82.2Confident80 Ų8070.2 Ų70.256%0.55938%0.379SS*.G310 helixtrans-89.2-1.6-179.765.80000113.8K308 S309 K313K308-S311 PolarHBondContact O-OG 2.85Å; K308-S311 VanDerWaalsContact O-OG 3.05Å; S309-S311 PolarHBondContact O-N 2.98Å; S311-K313 PolarHBondContact O-N 3.3Å
312V84.7Confident80.4Confident38 Ų3878.8 Ų78.823%0.2342%0.416CS..PPolyproline II helixtrans-75.3123.1-171.5-177.10000111.5L302 L306 S309 F330L302-V312 HydrophobicContact CD1-CG1 4.23Å; L302-V312 HydrophobicContact CD2-CG1 4.4Å; L306-V312 HydrophobicContact CD1-CG2 3.17Å; L306-V312 HydrophobicContact CD2-CG2 3.75Å; L306-V312 HydrophobicContact CG-CG2 4.09Å; S309-V312 VanDerWaalsContact O-CG2 3.26Å; S309-V312 WeakPolarHBondContact O-CG2 3.29Å; S309-V312 PolarHBondContact O-N 3.12Å; V312-F330 HydrophobicContact CG1-CB 4.02Å; V312-F330 HydrophobicContact CG2-CD1 4.38Å
313K82.5Confident78.7Confident181 Ų18182.5 Ų82.579%0.78743%0.433SS*.PPolyproline II helixtrans-88.2145.4167.1-64.2-178.9-178.2177.70109.9S311 V315S311-K313 PolarHBondContact O-N 3.3Å; K313-V315 PolarHBondContact O-N 3.13Å
314P81.7Confident77.2Confident72 Ų7293.6 Ų93.647%0.46848%0.475SS..PPolyproline II helixtrans-54.7129.4175-25.834000112K316 F328P314-K316 PolarHBondContact O-N 3.42Å; P314-F328 CarbonylContact C-O 3.57Å
315V81.1Confident75.7Confident41 Ų4195.9 Ų95.925%0.24849%0.49CS..EExtended strand (participates in β ladder)trans-81.1116.3179.5-177.70000108.7W294 L302 K313 T327 F328W294-V315 HydrophobicContact CZ2-CG1 4.17Å; L302-V315 HydrophobicContact CD1-CG2 4.03Å; K313-V315 PolarHBondContact O-N 3.13Å; V315-T327 CarbonylContact O-C 3.41Å; V315-T327 WeakPolarHBondContact O-CA 3.45Å; V315-F328 HydrophobicContact CB-CB 4.35Å; V315-F328 PolarHBondContact N-O 3.43Å; V315-F328 PolarHBondContact O-N 3.33Å
316K77.5Confident74.7Confident143 Ų14396 Ų9662%0.62249%0.485SS*.EExtended strand (participates in β ladder)trans-94135.7-179.7-56.8-169.8177.4176.60111P314 K318 T325 R326 T327P314-K316 PolarHBondContact O-N 3.42Å; K316-K318 PolarHBondContact O-N 3.32Å; K316-T325 HydrophobicContact CB-CG2 4.03Å; K316-T325 HydrophobicContact CD-CG2 4.46Å; K316-R326 CarbonylContact C-O 3.58Å; K316-R326 WeakPolarHBondContact CA-O 3.13Å; K316-T327 HydrophobicContact CG-CG2 4.06Å
317S74Confident74.2Confident2 Ų298.3 Ų98.31%0.01450%0.501CS..PPolyproline II helixtrans-67.6125.7167.870.10000109.3T255 K319 R326T255-S317 VanDerWaalsContact OG1-CA 3.24Å; T255-S317 WeakPolarHBondContact OG1-CA 3.36Å; S317-K319 PolarHBondContact O-N 2.81Å; S317-R326 PolarHBondContact N-O 2.87Å; S317-R326 PolarHBondContact OG-N 3.07Å; S317-R326 PolarHBondContact OG-O 3.15Å
318K67.2Low73.9Confident120 Ų12094.5 Ų94.552%0.52248%0.479SS..  trans-73.2115.1174.5-65.9-178.6179.9177.90108.4W253 T255 K316W253-K318 HydrophobicContact CD2-CD 4.48Å; W253-K318 HydrophobicContact CE3-CD 4.41Å; T255-K318 HydrophobicContact CG2-CB 4.45Å; T255-K318 PolarHBondContact OG1-N 3.28Å; K316-K318 PolarHBondContact O-N 3.32Å
319K60.7Low73.8Confident44 Ų4491.9 Ų91.919%0.19147%0.474CS..  trans-137.1156.8175.5-76.4-173.2161.3-148.20111S317 Q323S317-K319 PolarHBondContact O-N 2.81Å; K319-Q323 HydrophobicContact CB-CB 4.44Å; K319-Q323 HydrophobicContact CD-CB 4.1Å
320A54.5Low73.7Confident75 Ų7591.3 Ų91.362%0.6247%0.468SS*.  trans-61.3156.2173.200000111.5Q323A320-Q323 PolarHBondContact O-N 2.62Å
321L53.9Low73.8Confident154 Ų15488.2 Ų88.281%0.80645%0.446SS*.THydrogen-bonded Turntrans-49.9141.6174.6-66.7161.3000109.7
322F58.5Low74Confident211 Ų21186.4 Ų86.493%0.92544%0.44SS*.THydrogen-bonded Turntrans81.4-0.3-179.5-44.3-72.4000119
323Q59Low74.4Confident101 Ų10186.2 Ų86.247%0.47244%0.435SS..SBendtrans-100.3143.2167.9-65.6-169.37.300111.9K319 A320 T325K319-Q323 HydrophobicContact CB-CB 4.44Å; K319-Q323 HydrophobicContact CD-CB 4.1Å; A320-Q323 PolarHBondContact O-N 2.62Å; Q323-T325 PolarHBondContact O-N 3.48Å
324R64.3Low75Confident234 Ų23477.6 Ų77.688%0.88340%0.398SS*.  trans-57.1105.2173-172173.3-174.2153.71.6109.8R326R324-R326 PolarHBondContact O-N 3.42Å
325T64.8Low75.6Confident69 Ų6977.1 Ų77.142%0.42339%0.386SS..  trans-60121.8172.5-60.50000108.6K316 Q323K316-T325 HydrophobicContact CB-CG2 4.03Å; K316-T325 HydrophobicContact CD-CG2 4.46Å; Q323-T325 PolarHBondContact O-N 3.48Å
326R73.3Confident76.1Confident52 Ų5281 Ų8120%0.19640%0.397CS..  trans-83.9140.9176.1-65176.9172.6155.7-16.1109.1K287 W294 K316 S317 R324K287-R326 VanDerWaalsContact CE-NH2 3.29Å; W294-R326 HydrophobicContact CH2-CB 4.29Å; W294-R326 HydrophobicContact CZ3-CB 4.14Å; K316-R326 CarbonylContact C-O 3.58Å; K316-R326 WeakPolarHBondContact CA-O 3.13Å; S317-R326 PolarHBondContact N-O 2.87Å; S317-R326 PolarHBondContact OG-N 3.07Å; S317-R326 PolarHBondContact OG-O 3.15Å; R324-R326 PolarHBondContact O-N 3.42Å
327T80.9Confident76.9Confident73 Ų7376.5 Ų76.545%0.44838%0.378SS..EExtended strand (participates in β ladder)trans-122.6126.4177.757.80000108.7V315 K316V315-T327 CarbonylContact O-C 3.41Å; V315-T327 WeakPolarHBondContact O-CA 3.45Å; K316-T327 HydrophobicContact CG-CG2 4.06Å
328F85Confident77.8Confident25 Ų2576.7 Ų76.711%0.1138%0.379CS..EExtended strand (participates in β ladder)trans-98.5127.3169.5175.4-95.2000108.3W294 E295 D299 L302 P314 V315 F330W294-F328 HydrophobicContact CH2-CB 3.59Å; W294-F328 HydrophobicContact CZ2-CB 4.02Å; W294-F328 HydrophobicContact CZ3-CB 4.11Å; E295-F328 HydrophobicContact CB-CD2 4.13Å; E295-F328 HydrophobicContact CB-CE2 4.37Å; E295-F328 HydrophobicContact CG-CD2 4.14Å; D299-F328 HydrophobicContact CB-CE1 4.32Å; D299-F328 HydrophobicContact CB-CE2 4.26Å; D299-F328 HydrophobicContact CB-CZ 3.6Å; L302-F328 HydrophobicContact CD1-CD1 4.31Å; L302-F328 HydrophobicContact CD1-CE1 3.97Å; P314-F328 CarbonylContact C-O 3.57Å; V315-F328 HydrophobicContact CB-CB 4.35Å; V315-F328 PolarHBondContact N-O 3.43Å; V315-F328 PolarHBondContact O-N 3.33Å; F328-F330 HydrophobicContact CE1-CB 4.16Å
329T85.9Confident78.9Confident76 Ų7672.9 Ų72.947%0.46636%0.364SS..  trans-112.8118176-55.60000107.3
330F88.8Confident80.1Confident22 Ų2273.7 Ų73.710%0.09639%0.385CS..  trans-67.8135.9172.4-176.4-106.1000109.5L302 F303 L306 V312 F328 G332L302-F330 HydrophobicContact CB-CD2 3.75Å; L302-F330 HydrophobicContact CB-CE2 4.06Å; L302-F330 HydrophobicContact CB-CG 4.14Å; L302-F330 HydrophobicContact CD1-CB 3.77Å; L302-F330 HydrophobicContact CD1-CD2 4.23Å; L302-F330 HydrophobicContact CD1-CG 4.2Å; F303-F330 HydrophobicContact CB-CE2 4.23Å; F303-F330 HydrophobicContact CB-CZ 4.42Å; L306-F330 HydrophobicContact CD1-CD1 4.24Å; L306-F330 HydrophobicContact CD1-CE1 4.23Å; V312-F330 HydrophobicContact CG1-CB 4.02Å; V312-F330 HydrophobicContact CG2-CD1 4.38Å; F328-F330 HydrophobicContact CE1-CB 4.16Å; F330-G332 WeakPolarHBondContact CE1-O 3.44Å
331S86.9Confident81.4Confident40 Ų4075.1 Ų75.128%0.2837%0.374SS..  trans-130.9128.4-179.263.30000109.7
332G89.5Confident82.5Confident42 Ų4272.5 Ų72.543%0.43337%0.366SS..SBendtrans106.4-170.3-177.700000112.6S309 F330S309-G332 VanDerWaalsContact CB-O 3.3Å; S309-G332 WeakPolarHBondContact CB-O 3.49Å; F330-G332 WeakPolarHBondContact CE1-O 3.44Å
333R92.5Very high82.6Confident34 Ų3465.9 Ų65.913%0.12834%0.34CS..  trans-87150.3-178.1-67.7174.2-72.4162.1-2.5111.5Q44 E47 E337 V338Q44-R333 PolarHBondContact O-NH1 2.71Å; Q44-R333 PolarHBondContact O-NH2 2.98Å; E47-R333 VanDerWaalsContact CD-NE 3.3Å; E47-R333 VanDerWaalsContact CD-NH2 3.3Å; E47-R333 HydrophobicContact CG-CB 4.01Å; E47-R333 IonicContact OE1-CZ 3.86Å; E47-R333 IonicContact OE1-NE 3.48Å; E47-R333 PolarHBondContact OE1-NE 2.91Å; E47-R333 IonicContact OE1-NH2 2.62Å; E47-R333 PolarHBondContact OE1-NH2 3.23Å; E47-R333 IonicContact OE2-CZ 3.82Å; E47-R333 VanDerWaalsContact OE2-CZ 3.24Å; E47-R333 IonicContact OE2-NE 3.42Å; E47-R333 PolarHBondContact OE2-NE 2.89Å; E47-R333 IonicContact OE2-NH2 3.88Å; E47-R333 PolarHBondContact OE2-NH2 3.42Å; R333-E337 WeakPolarHBondContact CA-OE2 3.3Å; R333-E337 HydrophobicContact CB-CB 3.97Å; R333-E337 HydrophobicContact CG-CB 4.3Å; R333-V338 HydrophobicContact CB-CG2 3.86Å
334C94.4Very high82.6Confident0 Ų068.2 Ų68.20%036%0.355CS..  trans-79.8164.5166.971.10000110.9L306 R336 E337 V338L306-C334 HydrophobicContact CB-CB 3.76Å; L306-C334 HydrophobicContact CD1-CB 4.44Å; L306-C334 PolarHBondContact O-SG 2.79Å; L306-C334 VanDerWaalsContact O-SG 3.34Å; C334-R336 PolarHBondContact O-N 3.37Å; C334-R336 VanDerWaalsContact O-N 3.15Å; C334-E337 PolarHBondContact N-OE2 3.21Å; C334-E337 PolarHBondContact O-N 3.22Å; C334-V338 WeakPolarHBondContact O-CG2 3.35Å; C334-V338 PolarHBondContact O-N 3.11Å; C334-V338 VanDerWaalsContact O-N 3.08Å
335R94.5Very high81.6Confident61 Ų6161.5 Ų61.523%0.2334%0.34CS..Hα-helixtrans-49-44.6179.4176175.5173.1-153.1-0.3112.4D99 F303 E337 V338 I339D99-R335 VanDerWaalsContact CG-NH2 3.27Å; D99-R335 IonicContact OD1-CZ 2.68Å; D99-R335 VanDerWaalsContact OD1-CZ 3.28Å; D99-R335 IonicContact OD1-NE 2.97Å; D99-R335 PolarHBondContact OD1-NE 2.84Å; D99-R335 IonicContact OD1-NH2 2.98Å; D99-R335 PolarHBondContact OD1-NH2 2.84Å; D99-R335 IonicContact OD2-CZ 3.67Å; D99-R335 VanDerWaalsContact OD2-CZ 3.28Å; D99-R335 IonicContact OD2-NE 2.8Å; D99-R335 PolarHBondContact OD2-NE 2.78Å; D99-R335 VanDerWaalsContact OD2-NE 3.16Å; D99-R335 IonicContact OD2-NH2 3.57Å; D99-R335 PolarHBondContact OD2-NH2 2.83Å; F303-R335 HydrophobicContact CD1-CB 4.21Å; F303-R335 HydrophobicContact CE1-CB 3.83Å; F303-R335 HydrophobicContact CE1-CG 4.43Å; F303-R335 HydrophobicContact CE2-CB 4.31Å; F303-R335 HydrophobicContact CZ-CB 3.89Å; F303-R335 VanDerWaalsContact O-CB 3.29Å; F303-R335 WeakPolarHBondContact O-CB 3.31Å; F303-R335 PolarHBondContact O-N 2.64Å; R335-E337 VanDerWaalsContact C-N 3.31Å; R335-E337 PolarHBondContact O-N 2.81Å; R335-V338 PolarHBondContact O-N 3.26Å; R335-I339 HydrophobicContact CG-CD1 3.59Å; R335-I339 HydrophobicContact CG-CG1 4.33Å; R335-I339 WeakPolarHBondContact O-CG1 3.25Å; R335-I339 PolarHBondContact O-N 2.76Å
336R92.9Very high80.5Confident124 Ų12465 Ų6547%0.46836%0.361SS..Hα-helixtrans-65.6-33-177.6-56.7-167.4-153.2165.217.8113.1T305 L306 D307 C334 G340T305-R336 PolarHBondContact O-NH2 3.11Å; L306-R336 PolarHBondContact O-NE 3.11Å; D307-R336 IonicContact OD1-CZ 3.16Å; D307-R336 IonicContact OD1-NH1 2.66Å; D307-R336 PolarHBondContact OD1-NH1 3.29Å; D307-R336 IonicContact OD1-NH2 2.98Å; D307-R336 PolarHBondContact OD1-NH2 3.35Å; C334-R336 PolarHBondContact O-N 3.37Å; C334-R336 VanDerWaalsContact O-N 3.15Å; R336-G340 WeakPolarHBondContact O-CA 3.39Å; R336-G340 PolarHBondContact O-N 2.94Å
337E93.7Very high78.6Confident48 Ų4868 Ų6822%0.22439%0.391CS..Hα-helixtrans-75.7-33175-72172.2165.400112.3K308 S309 R333 C334 R335 R341K308-E337 VanDerWaalsContact CA-OE1 3.28Å; K308-E337 WeakPolarHBondContact CA-OE1 3.48Å; S309-E337 WeakPolarHBondContact CB-OE2 3.41Å; S309-E337 PolarHBondContact N-OE1 2.8Å; S309-E337 PolarHBondContact N-OE2 3.14Å; S309-E337 VanDerWaalsContact OG-CD 3.27Å; S309-E337 PolarHBondContact OG-OE1 3.2Å; S309-E337 VanDerWaalsContact OG-OE1 3.12Å; S309-E337 PolarHBondContact OG-OE2 2.88Å; R333-E337 WeakPolarHBondContact CA-OE2 3.3Å; R333-E337 HydrophobicContact CB-CB 3.97Å; R333-E337 HydrophobicContact CG-CB 4.3Å; C334-E337 PolarHBondContact N-OE2 3.21Å; C334-E337 PolarHBondContact O-N 3.22Å; R335-E337 VanDerWaalsContact C-N 3.31Å; R335-E337 PolarHBondContact O-N 2.81Å; E337-R341 PolarHBondContact O-N 2.97Å
338V92.4Very high76.3Confident5 Ų572.1 Ų72.13%0.0341%0.409CS..Hα-helixtrans-66.8-47.5174.2-178.60000109.9E45 E47 Y48 R101 F303 R333 C334 R335E45-V338 HydrophobicContact CG-CG1 4.42Å; E47-V338 HydrophobicContact CB-CG2 3.98Å; E47-V338 HydrophobicContact CG-CG2 4.15Å; Y48-V338 HydrophobicContact CD2-CG1 4.3Å; Y48-V338 HydrophobicContact CE2-CB 4.49Å; Y48-V338 HydrophobicContact CE2-CG1 3.72Å; R101-V338 PolarHBondContact NH1-O 2.88Å; F303-V338 HydrophobicContact CE2-CG2 4.39Å; R333-V338 HydrophobicContact CB-CG2 3.86Å; C334-V338 WeakPolarHBondContact O-CG2 3.35Å; C334-V338 PolarHBondContact O-N 3.11Å; C334-V338 VanDerWaalsContact O-N 3.08Å; R335-V338 PolarHBondContact O-N 3.26Å
339I90.1Very high73.8Confident40 Ų4076 Ų7621%0.20544%0.437CS..Hα-helixtrans-69.5-39177.5-60.5169.3000110.7D99 R101 R335 R341D99-I339 WeakPolarHBondContact OD1-CD1 3.47Å; R101-I339 PolarHBondContact NH1-O 2.99Å; R101-I339 PolarHBondContact NH2-O 2.86Å; R335-I339 HydrophobicContact CG-CD1 3.59Å; R335-I339 HydrophobicContact CG-CG1 4.33Å; R335-I339 WeakPolarHBondContact O-CG1 3.25Å; R335-I339 PolarHBondContact O-N 2.76Å; I339-R341 PolarHBondContact O-N 3.05Å; I339-R341 VanDerWaalsContact O-N 3.11Å
340G86.9Confident71.2Confident62 Ų6278.3 Ų78.364%0.63945%0.451SS*.THydrogen-bonded Turntrans-69.7-7.9-178.200000115.2R336R336-G340 WeakPolarHBondContact O-CA 3.39Å; R336-G340 PolarHBondContact O-N 2.94Å
341R82.1Confident68.5Low105 Ų10584.2 Ų84.240%0.39648%0.484SS..SBendtrans-80.1128.4-176.6-162.5176.6-176.7-174.1-0.6111.1E337 I339E337-R341 PolarHBondContact O-N 2.97Å; I339-R341 PolarHBondContact O-N 3.05Å; I339-R341 VanDerWaalsContact O-N 3.11Å
342P75.4Confident66Low98 Ų9890.4 Ų90.464%0.63651%0.512SS*.PPolyproline II helixtrans-64.9141.2168.126.7-31.7000109.5L344P342-L344 PolarHBondContact O-N 3.42Å
343L62.3Low63.1Low73 Ų7394.4 Ų94.438%0.38253%0.532SS..PPolyproline II helixtrans-63.1129.7168.4-66.2173.5000107.3R101 L102 T345R101-L343 HydrophobicContact CB-CD1 4.35Å; R101-L343 HydrophobicContact CB-CD2 4.28Å; L102-L343 HydrophobicContact CD2-CD2 4.45Å; L343-T345 PolarHBondContact O-N 2.7Å
344L57Low60Low149 Ų14996.1 Ų96.178%0.7856%0.56SS**SBendtrans-74.865.9168.4-69.5174.5000108.3P342P342-L344 PolarHBondContact O-N 3.42Å
345T43.3Very low56.8Low94 Ų94103.7 Ų103.758%0.57760%0.599SS**  trans-140.2128.616954.30000104.8L343L343-T345 PolarHBondContact O-N 2.7Å
346T42.9Very low53.4Low141 Ų141106.2 Ų106.287%0.86563%0.626SS**SBendtrans71.969.817970.50000117.3
347S32.5Very low50.4Low116 Ų116106.7 Ų106.781%0.81164%0.642SS**  trans172.262.4133.866.30000110.9
348L32.6Very low47.3Very low159 Ų159108.8 Ų108.883%0.83267%0.667SS**SBendtrans-93.8117.5148.1-92.9143.6000104.6T350L348-T350 PolarHBondContact O-N 3.42Å; L348-T350 VanDerWaalsContact O-N 3.14Å
349P32.6Very low44Very low106 Ų106117.1 Ų117.169%0.68871%0.706SS**  trans-55.7122.1171.6-1829.5000107.7D351P349-D351 PolarHBondContact O-N 2.8Å
350T32.6Very low41Very low126 Ų126124.6 Ų124.677%0.77374%0.74SS**SBendtrans-7560174.6-46.20000109.2L348L348-T350 PolarHBondContact O-N 3.42Å; L348-T350 VanDerWaalsContact O-N 3.14Å
351D32.2Very low37.9Very low145 Ų145128.1 Ų128.178%0.77574%0.744SS**  trans-126.942.1174.9-72-29.2000110.6P349P349-D351 PolarHBondContact O-N 2.8Å
352I33.3Very low35.1Very low171 Ų171130.7 Ų130.788%0.87777%0.765SS**  trans-142.964.4156.6-47.3177.4000107.9
353C28Very low32.6Very low126 Ų126131.9 Ų131.985%0.85178%0.776SS**  trans-134.672.6162.5-162.70000107.6
354G27.5Very low30.6Very low69 Ų69137.9 Ų137.971%0.71180%0.799SS**  trans-160.537.6-174.700000112.9
355I28.7Very low29.2Very low159 Ų159138.6 Ų138.682%0.81580%0.804SS**  trans-133.389.9158.3-57.5-179.4000106.9V357I355-V357 HydrophobicContact CG2-CG2 4.29Å
356S23.4Very low28.3Very low115 Ų115141.7 Ų141.780%0.80482%0.817SS**  trans-71.4117.415858.90000108.2
357V29.2Very low27.9Very low134 Ų134140 Ų14081%0.81281%0.808SS**  trans-142.9134.3149.1-175.80000107.9I355I355-V357 HydrophobicContact CG2-CG2 4.29Å
358A28.2Very low27.6Very low91 Ų91140.7 Ų140.775%0.75281%0.808SS**  trans-55.9157.1-167.500000115.9E360A358-E360 PolarHBondContact O-N 3.04Å
359E23Very low27.4Very low181 Ų181137.9 Ų137.985%0.84680%0.802SS**  trans-46.3115.5161.8-63.8171.1138.800111.4
360E26.5Very low27.1Very low197 Ų197137.4 Ų137.492%0.92180%0.801SS**  trans-112.5113.8154.3-98.8-168.9161.500109.6A358A358-E360 PolarHBondContact O-N 3.04Å
361N23.4Very low26.9Very low136 Ų136138 Ų13873%0.72780%0.799SS**  trans-68.6136.2172.9-74.2-66.7000111.1
362L22.8Very low26.7Very low158 Ų158135 Ų13583%0.82780%0.803SS**  trans36.5109.5136.9-58.9170.3000118.3
363S22.1Very low26.6Very low124 Ų124137 Ų13787%0.86780%0.801SS**  -177.6146.7123.240.80000113.7
364F21.9Very low26.5Very low198 Ų198136.1 Ų136.187%0.86880%0.796SS**  trans-58.6139.5176.9-84.3-112000113.5
365N27.7Very low26.5Very low164 Ų164140.8 Ų140.888%0.87780%0.804SS**  trans-169.9123132.2-87.5-27.9000111.6
366N23.4Very low26.5Very low159 Ų159138.3 Ų138.385%0.8580%0.801SS**  trans-65.1167.8155-97.7-20.5000109.8
367P34.9Very low26.7Very low106 Ų106141.9 Ų141.969%0.68881%0.807SS**  cis-140.9176.213.334.7-12.2000116.8
368T25.7Very low26.6Very low130 Ų130138.8 Ų138.880%0.79880%0.803SS**  trans89.7131.4145.3-90000121.2
369S28.2Very low26.6Very low101 Ų101138.7 Ų138.771%0.70680%0.802SS**  trans89.994.2157.9-170.70000118.4
370S25.5Very low27Very low96 Ų96138.7 Ų138.767%0.67181%0.806SS**  trans9.3115140.755.70000118.2
371N30.1Very low27.1Very low138 Ų138135.3 Ų135.374%0.73880%0.799SS**  -166114.2125-92.2-20.6000109.5Y373N371-Y373 PolarHBondContact O-N 3.41Å
372G27.4Very low27.5Very low83 Ų83136.5 Ų136.586%0.85681%0.806SS**  trans-69.7110.2172.900000110.1S374G372-S374 VanDerWaalsContact C-N 3.34Å; G372-S374 PolarHBondContact O-N 2.69Å; G372-S374 VanDerWaalsContact O-N 3.1Å
373Y31Very low27.8Very low211 Ų211134.4 Ų134.483%0.82780%0.804SS**  trans-78.489.1166.2-74.5-84.4000108.9N371 L375N371-Y373 PolarHBondContact O-N 3.41Å; Y373-L375 PolarHBondContact O-N 3.06Å
374S26.8Very low28Very low108 Ų108135.3 Ų135.376%0.75581%0.805SS**  trans-70.9111.6156.2168.70000107.9G372 S376G372-S374 VanDerWaalsContact C-N 3.34Å; G372-S374 PolarHBondContact O-N 2.69Å; G372-S374 VanDerWaalsContact O-N 3.1Å; S374-S376 PolarHBondContact O-N 3.49Å
375L27Very low28.2Very low168 Ų168129.3 Ų129.388%0.8880%0.799SS**  trans-66.894.4171.6-68.1167.4000109.4Y373Y373-L375 PolarHBondContact O-N 3.06Å
376S28Very low28Very low106 Ų106132.4 Ų132.474%0.74180%0.798SS**  trans-91.4101.1165.9-178.70000108.8S374 G378S374-S376 PolarHBondContact O-N 3.49Å; S376-G378 PolarHBondContact O-N 3.25Å
377M27.6Very low27.9Very low190 Ų190131.7 Ų131.794%0.93679%0.794SS**  trans-68.295.2167.3-75.8-71.2-74.600109.3
378G26.7Very low27.4Very low70 Ų70134.4 Ų134.472%0.72280%0.8SS**  trans-124.690.6171.100000110.3S376S376-G378 PolarHBondContact O-N 3.25Å
379A29.9Very low27.2Very low89 Ų89135 Ų13574%0.73680%0.798SS**  trans-162.276.7164.200000110.8
380L29.7Very low27.1Very low180 Ų180137 Ų13794%0.94281%0.806SS**  trans-142.485.7146-79-177.9000107.2N382L380-N382 PolarHBondContact O-N 3.06Å
381T29.4Very low26.9Very low126 Ų126140.5 Ų140.577%0.77381%0.812SS**  trans-74.9110.9166.549.90000108.4
382N32.4Very low26.8Very low162 Ų162141.6 Ų141.687%0.86682%0.816SS**  trans-127.379.3145.8-92.6-9.2000105.9L380 T384L380-N382 PolarHBondContact O-N 3.06Å; N382-T384 PolarHBondContact O-N 3.32Å
383S27.6Very low26.6Very low113 Ų113145 Ų14579%0.7981%0.809SS**  trans-66.1111.8171.752.10000108.9G385S383-G385 PolarHBondContact O-N 3.22Å; S383-G385 VanDerWaalsContact O-N 3.1Å
384T26.5Very low26.5Very low143 Ų143142.5 Ų142.588%0.87781%0.811SS**  trans-63.698.2160.2-34.80000108.1N382N382-T384 PolarHBondContact O-N 3.32Å
385G27.6Very low26.3Very low72 Ų72143.7 Ų143.774%0.74281%0.808SS**  trans-91.6124171.300000110.7S383S383-G385 PolarHBondContact O-N 3.22Å; S383-G385 VanDerWaalsContact O-N 3.1Å
386R21.5Very low26.4Very low230 Ų230143.1 Ų143.187%0.86881%0.805SS**  trans-86.1155.2169.1-68.1179.7-167.5161.93.4110.9
387N22Very low26.4Very low144 Ų144145.7 Ų145.777%0.7781%0.805SS**  trans66.9139158.2-65.1-1.5000115.6
388M25.5Very low26.3Very low163 Ų163144 Ų14480%0.80380%0.799SS**  cis-159.7164.840.2-148.386.9164.800109.8
389D20Very low26.3Very low143 Ų143144.4 Ų144.477%0.76580%0.804SS**  trans-44.9144.2171.2-60.6-60.2000115.9
390T27.3Very low25.9Very low143 Ų143149.1 Ų149.188%0.87781%0.811SS**  -162.9130.3123.5440000111
391H20.8Very low25.6Very low169 Ų169145.1 Ų145.178%0.78280%0.798SS**  trans-39.1145.1161.3-76.5-107.1000113.9
392I29.1Very low25.4Very low160 Ų160144.5 Ų144.582%0.82179%0.794SS**  -162.8117.1123.9-90.6147.4000107.1
393E22Very low24.9Very low154 Ų154145 Ų14572%0.7279%0.791SS**  trans-56.6139.5163.5-75.8161.5122.900110.2
394N28.2Very low24.7Very low160 Ų160146.4 Ų146.486%0.85680%0.795SS**  trans-146.1129137.1-93.5-33.6000109.8
395N23.5Very low24.4Very low132 Ų132144.1 Ų144.171%0.70679%0.791SS**  trans-66.2161.9-175.4-67.1-41.9000113.7
396I29.4Very low24.5Very low157 Ų157146.4 Ų146.481%0.80579%0.793SS**  trans147.289.9137-73.2156.3000105.2
397E27.1Very low24.5Very low160 Ų160139.4 Ų139.475%0.74878%0.784SS**  69116.387.2-85-177.7174.600114.1
398D26.3Very low24.6Very low153 Ų153138.5 Ų138.582%0.81878%0.784SS**  trans71.2134143.1-54.8-21.8000121.2
399G26.9Very low24.6Very low80 Ų80136.3 Ų136.383%0.82578%0.78SS**  trans139.980.1145.600000115.6
400E21.7Very low24.8Very low187 Ų187135.2 Ų135.287%0.87478%0.779SS**  trans-56.4149.9168.1-160.5-173.815200114.1
401S23.2Very low25Very low97 Ų97134.3 Ų134.368%0.67878%0.778SS**  trans87.8130.9146.782.60000121.2
402T24.1Very low25.2Very low113 Ų113129.7 Ų129.769%0.69378%0.777SS**  trans96.1107.2141.6-38.30000118.9
403Q22.2Very low25.1Very low171 Ų171129.5 Ų129.580%0.79978%0.776SS**  trans25.8119.2138.6-55.8173.217.800117.6
404T24.9Very low25.3Very low143 Ų143129.3 Ų129.388%0.87778%0.78SS**  -179.8144116.4250000111
405A20.1Very low25.4Very low96 Ų96127.2 Ų127.279%0.79378%0.777SS**  trans-69.2152.7172.700000112.4
406P27.9Very low25.5Very low120 Ų120128.6 Ų128.678%0.77978%0.783SS**  -129.1125.5126.432.7-20.6000109.2
407A22.8Very low25.2Very low82 Ų82126.2 Ų126.268%0.67878%0.78SS**  71.1114.67200000114.6
408T22.9Very low25.3Very low125 Ų125124.2 Ų124.277%0.76778%0.784SS**  trans74.7126.7151.6-12.60000115.3
409T27Very low25.3Very low117 Ų117123.1 Ų123.172%0.71878%0.783SS**  -166.612953.821.80000112.2
410T23.1Very low25Very low121 Ų121124.3 Ų124.374%0.74278%0.778SS**  trans35.9124.2132.560.50000122.7
411S30.9Very low25.4Very low123 Ų123124 Ų12486%0.8678%0.782SS**  175102.8122.7-71.90000107.7
412G25.9Very low25.5Very low73 Ų73122.6 Ų122.675%0.75378%0.783SS**  89.1133.590.500000110
413L27.2Very low25.5Very low156 Ų156126.2 Ų126.282%0.81779%0.791SS**  cis-164142.212-97.9150000107.7
414L26.9Very low25.8Very low150 Ų150123.6 Ų123.679%0.78579%0.792SS**  trans65.190.6143.2-55173.3000120.5
415S29.3Very low25.7Very low115 Ų115126 Ų12680%0.80479%0.793SS**  trans-108.5114.6143.234.40000109.1S417S415-S417 PolarHBondContact O-N 2.86Å
416I25.5Very low25.7Very low161 Ų161125.6 Ų125.683%0.82679%0.79SS**  trans-77107.6-176.7-53.3166.9000107.5
417S23.7Very low25.6Very low108 Ų108126.1 Ų126.176%0.75579%0.793SS**PPolyproline II helixtrans-96.8131.5170.6-65.80000109.9S415S415-S417 PolarHBondContact O-N 2.86Å
418S28.1Very low25.4Very low117 Ų117126.4 Ų126.482%0.81880%0.796SS**PPolyproline II helixtrans-76.3127.4174.9-46.10000110.7
419T26.9Very low25.5Very low131 Ų131128 Ų12880%0.80480%0.799SS**PPolyproline II helixtrans-54.5128.6170.647.50000111.9
420S21.6Very low25.4Very low104 Ų104127.8 Ų127.873%0.72780%0.802SS**  69.5106.573.6161.60000114.6
421L29.1Very low25.3Very low182 Ų182130.6 Ų130.695%0.95381%0.807SS**  trans-179.4126.4146.8-93.3144.4000105.4
422G25.1Very low25.6Very low67 Ų67129.9 Ų129.969%0.69180%0.799SS**  cis-177.4145.6-1.400000107.4
423H24.5Very low25.4Very low188 Ų188131.4 Ų131.487%0.8780%0.798SS**  trans11126.8159.2-70.7-73.1000120.9
424S27.2Very low25.1Very low116 Ų116131 Ų13181%0.81180%0.802SS**  -177.9117.9100.2-71.30000112.5
425Q24.4Very low24.9Very low193 Ų193128.7 Ų128.790%0.90281%0.805SS**  trans34.6121.8143.9-119.8161.81.200122
426A19.3Very low24.4Very low89 Ų89134.1 Ų134.174%0.73681%0.807SS**  trans-59.2161.1160.700000112.7
427P25.2Very low24.4Very low130 Ų130133.7 Ų133.784%0.84481%0.807SS**  -139.5160.988.735.1-19.6000115.2
428A20.1Very low24.3Very low88 Ų88134.1 Ų134.173%0.72781%0.805SS**  trans-66.9147173.500000113
429L24.8Very low23.9Very low160 Ų160134.1 Ų134.184%0.83880%0.8SS**  170133.9120.9-89.7163.6000111.7
430S25.2Very low23.8Very low111 Ų111134.4 Ų134.478%0.77680%0.796SS**  trans64.9108.9147.250.50000121.6
431E19.9Very low24.1Very low181 Ų181136 Ų13685%0.84680%0.796SS**  trans-47.8170132.5-95.1-173.9160.100113.1
432P36.6Very low23.8Very low108 Ų108134.6 Ų134.670%0.70179%0.789SS**  cis-137.5-170.30.430.2-6.4000114.5
433S23.2Very low23.9Very low105 Ų105140.7 Ų140.773%0.73480%0.802SS**  trans95.9102.8144.668.10000120.9
434V19.6Very low23.7Very low148 Ų148140.2 Ų140.290%0.89780%0.8SS**  33.8107.3121.7-173.10000117.6
435A23.3Very low23.5Very low101 Ų101143.5 Ų143.584%0.83580%0.803SS**  -173.4148.1128.300000112.7
436R18.9Very low23.5Very low229 Ų229138.9 Ų138.986%0.86479%0.792SS**  trans-58.6154.4178.2-66.1162.8161.5117.3-3.1114.3
437N25.7Very low23.7Very low151 Ų151142.2 Ų142.281%0.80779%0.794SS**  172.1118.1127.2-81.3-16000108
438V21.2Very low23.6Very low118 Ų118143.3 Ų143.372%0.71579%0.788SS**  74.6109.372.6175.90000113
439T20.4Very low23.7Very low116 Ų116145.9 Ų145.971%0.71279%0.79SS**  trans63127.6152.952.20000121.2
440N25.6Very low23.7Very low137 Ų137147.1 Ų147.173%0.73379%0.791SS**  trans157.9142.1139.4-80.4-5.5000107.4
441N27.7Very low23.7Very low137 Ų137148.7 Ų148.773%0.73380%0.795SS**  cis-155.3153.5-4.1-92.9-29.6000108.7
442L22.3Very low24Very low154 Ų154147.1 Ų147.181%0.80679%0.793SS**  trans-36.6132154.4-142.575.6000113.6
443M27.3Very low23.5Very low194 Ų194146.3 Ų146.396%0.95679%0.79SS**  trans-145.6115.6144.5-107.1-173.3162.700108.9
444E19.5Very low23.8Very low178 Ų178149.3 Ų149.383%0.83279%0.792SS**  trans-75.4135.9163.1-72.9172.613000109.5
445E24.4Very low24.1Very low186 Ų186148.4 Ų148.487%0.86978%0.782SS**  trans-167.7119136.4-114.8-171.7141.100111.9
446S23.5Very low24.4Very low95 Ų95152 Ų15266%0.66478%0.781SS**  trans64113.7130.9-55.80000123
447M23.5Very low25Very low159 Ų159145 Ų14578%0.78377%0.768SS**  81.3123.5129.6-69.617774.100121.8
448E22.8Very low25Very low153 Ų153145.5 Ų145.572%0.71577%0.77SS**  trans82.4105.7143.3-85.6178.8140.900121.5
449N22.3Very low25.4Very low143 Ų143147.9 Ų147.977%0.76578%0.778SS**  51.195.5129.5-69.5-19000117.8
450Q25Very low25.9Very low186 Ų186148.2 Ų148.287%0.86979%0.785SS**  trans-144.7116.7135-107.2173.223.200109.9N452Q450-N452 PolarHBondContact O-N 3.36Å
451V25.4Very low26.3Very low143 Ų143144 Ų14487%0.86777%0.774SS**  trans-63.7108.8171.8171.60000107.3S453V451-S453 PolarHBondContact O-N 2.87Å
452N26.1Very low27Very low149 Ų149143.4 Ų143.480%0.79778%0.781SS**  trans-63.296.9173.5-85.3-11.2000110.1Q450 H454Q450-N452 PolarHBondContact O-N 3.36Å; N452-H454 PolarHBondContact O-N 3.26Å
453S26.7Very low28.3Very low90 Ų90143.5 Ų143.563%0.62978%0.775SS**  trans-67.5114.6152.445.90000107.8V451 D455V451-S453 PolarHBondContact O-N 2.87Å; S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3.41Å
454H28.4Very low30Very low168 Ų168137 Ų13778%0.77875%0.752SS**  trans-62.294.4169.7-95.7-54.5000109.6N452 H456N452-H454 PolarHBondContact O-N 3.26Å; H454-H456 PolarHBondContact O-N 3.4Å; H454-H456 VanDerWaalsContact O-N 3.09Å
455D27Very low32.4Very low129 Ų129129 Ų12969%0.6972%0.715SS**  trans-70.797.7167.9-78.7-31.4000109.6S453 S457S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3.41Å; D455-S457 PolarHBondContact O-N 2.87Å
456H29.3Very low35.2Very low177 Ų177124.1 Ų124.182%0.81970%0.695SS**  trans-80.970.1161.2-73.8-70.4000109.4H454H454-H456 PolarHBondContact O-N 3.4Å; H454-H456 VanDerWaalsContact O-N 3.09Å
457S30.7Very low38.1Very low83 Ų83120.6 Ų120.658%0.5867%0.67SS**  trans-125.612.3176.459.40000115.1D455D455-S457 PolarHBondContact O-N 2.87Å
458N26.2Very low41Very low161 Ų161115.9 Ų115.986%0.86165%0.648SS**  trans-109.539.8178.4-74.1-28.5000114.8
459L29.2Very low44Very low168 Ų168111.8 Ų111.888%0.8863%0.631SS**  trans-108.532.7169.5-98.1155.1000112.5
460S31.1Very low47.1Very low122 Ų122105 Ų10585%0.85360%0.595SS**  trans-110.675.8171-179.30000110.2
461G33.8Very low50Low49 Ų4996.3 Ų96.351%0.50555%0.554SS.*SBendtrans-139.591176.700000111.6F463G461-F463 VanDerWaalsContact C-N 3.3Å; G461-F463 WeakPolarHBondContact O-CD2 3.31Å; G461-F463 PolarHBondContact O-N 3.18Å
462S43.3Very low52.8Low125 Ų12590 Ų9087%0.87452%0.516SS*.SBendtrans56.42.9158-160.20000121.5
463F49.4Very low55.6Low155 Ų15585.1 Ų85.168%0.6849%0.49SS*.  trans-103.329.8180-63.1-76000114.8I97 H200 G461I97-F463 WeakPolarHBondContact CD1-O 3.32Å; H200-F463 PolarHBondContact CE1-O 3.03Å; H200-F463 PolarHBondContact ND1-O 3.37Å; G461-F463 VanDerWaalsContact C-N 3.3Å; G461-F463 WeakPolarHBondContact O-CD2 3.31Å; G461-F463 PolarHBondContact O-N 3.18Å
464A63.1Low58.4Low59 Ų5981.1 Ų81.149%0.48846%0.461SS..SBendtrans-103.7146.8174.600000110.9N466A464-N466 PolarHBondContact O-N 2.66Å
465V70.1Confident60.6Low9 Ų975 Ų756%0.05544%0.44CS..  trans-54.8132.6168.7-179.10000107I97 H106 S196 I199 S467 L470I97-V465 HydrophobicContact CG1-CB 4.42Å; I97-V465 HydrophobicContact CG1-CG2 3.71Å; H106-V465 HydrophobicContact CB-CG1 4.34Å; H106-V465 VanDerWaalsContact CE1-CG2 3.45Å; H106-V465 WeakPolarHBondContact CE1-CG2 3.41Å; H106-V465 WeakPolarHBondContact ND1-CG2 3.42Å; S196-V465 WeakPolarHBondContact OG-CB 3.01Å; S196-V465 PolarHBondContact OG-N 2.91Å; S196-V465 PolarHBondContact OG-O 2.98Å; I199-V465 HydrophobicContact CG2-CG2 4.25Å; V465-S467 VanDerWaalsContact C-N 3.35Å; V465-S467 PolarHBondContact O-N 3.42Å; V465-L470 HydrophobicContact CG1-CD1 4.21Å
466N81.6Confident62.7Low83 Ų8375.8 Ų75.844%0.44444%0.444SS..  trans-60.999.2179.4-175.2-9.6000109.3A464 N468 L469A464-N466 PolarHBondContact O-N 2.66Å; N466-N468 PolarHBondContact O-N 2.99Å; N466-N468 VanDerWaalsContact O-N 3.13Å; N466-N468 VanDerWaalsContact OD1-CB 3.32Å; N466-N468 WeakPolarHBondContact OD1-CB 2.93Å; N466-N468 PolarHBondContact OD1-N 3.46Å; N466-N468 PolarHBondContact OD1-ND2 3.13Å; N466-L469 HydrophobicContact CB-CD1 4.13Å; N466-L469 HydrophobicContact CB-CG 4.18Å; N466-L469 WeakPolarHBondContact O-CB 3.45Å; N466-L469 PolarHBondContact O-N 2.85Å
467S84.4Confident64.6Low21 Ų2168.9 Ų68.915%0.14741%0.413CS..Hα-helixtrans-58-31.1-17454.70000111.4S192 V465 L469 L470 V471S192-S467 VanDerWaalsContact CB-O 3.22Å; S192-S467 WeakPolarHBondContact CB-O 3.3Å; S192-S467 PolarHBondContact OG-O 3.27Å; V465-S467 VanDerWaalsContact C-N 3.35Å; V465-S467 PolarHBondContact O-N 3.42Å; S467-L469 PolarHBondContact O-N 3Å; S467-L470 PolarHBondContact O-N 2.96Å; S467-V471 PolarHBondContact O-N 2.88Å
468N85.9Confident66.3Low60 Ų6067.2 Ų67.232%0.32140%0.4SS..Hα-helixtrans-56.6-38.9177.3-59.7-57.1000111.6N466 L470 V471 I493 Q497N466-N468 PolarHBondContact O-N 2.99Å; N466-N468 VanDerWaalsContact O-N 3.13Å; N466-N468 VanDerWaalsContact OD1-CB 3.32Å; N466-N468 WeakPolarHBondContact OD1-CB 2.93Å; N466-N468 PolarHBondContact OD1-N 3.46Å; N466-N468 PolarHBondContact OD1-ND2 3.13Å; N468-L470 PolarHBondContact O-N 2.66Å; N468-V471 WeakPolarHBondContact O-CB 3.26Å; N468-V471 PolarHBondContact O-N 3.48Å; N468-I493 HydrophobicContact CB-CG2 4.08Å; N468-I493 WeakPolarHBondContact OD1-CD1 3.33Å; N468-Q497 VanDerWaalsContact C-NE2 3.26Å; N468-Q497 PolarHBondContact O-NE2 3.1Å
469L85.4Confident67.8Low67 Ų6764.8 Ų64.835%0.35138%0.382SS..Hα-helixtrans-68.3-22.1-179.2-61.9179.6000113.2P103 N466 S467 L502P103-L469 HydrophobicContact CB-CB 4.39Å; P103-L469 WeakPolarHBondContact CB-O 3.48Å; P103-L469 HydrophobicContact CG-CB 4.03Å; N466-L469 HydrophobicContact CB-CD1 4.13Å; N466-L469 HydrophobicContact CB-CG 4.18Å; N466-L469 WeakPolarHBondContact O-CB 3.45Å; N466-L469 PolarHBondContact O-N 2.85Å; S467-L469 PolarHBondContact O-N 3Å; L469-L502 HydrophobicContact CD2-CD2 4.08Å
470L86.3Confident69.2Low1 Ų162.8 Ų62.81%0.00537%0.368CS..Hα-helixtrans-86.9-18.8178.6-57.2178.5000112.8P103 H106 V465 S467 N468 P472 L473 F474P103-L470 HydrophobicContact CB-CD2 4.08Å; P103-L470 VanDerWaalsContact O-CD2 3.25Å; P103-L470 WeakPolarHBondContact O-CD2 3.31Å; H106-L470 HydrophobicContact CB-CD1 4.5Å; H106-L470 HydrophobicContact CB-CD2 3.63Å; V465-L470 HydrophobicContact CG1-CD1 4.21Å; S467-L470 PolarHBondContact O-N 2.96Å; N468-L470 PolarHBondContact O-N 2.66Å; L470-P472 VanDerWaalsContact C-N 3.31Å; L470-L473 WeakPolarHBondContact O-CB 3.43Å; L470-L473 PolarHBondContact O-N 3.4Å; L470-F474 HydrophobicContact CB-CD2 4.32Å; L470-F474 HydrophobicContact CB-CE2 4.08Å; L470-F474 WeakPolarHBondContact O-CD2 3.49Å
471V86Confident71.2Confident3 Ų360 Ų602%0.01834%0.338CS..G310 helixtrans-48.1-45.1-176.5172.40000113.4S192 S467 N468 L473 F474 Q490 I493 L494S192-V471 VanDerWaalsContact OG-CG2 3.22Å; S192-V471 WeakPolarHBondContact OG-CG2 3.41Å; S467-V471 PolarHBondContact O-N 2.88Å; N468-V471 WeakPolarHBondContact O-CB 3.26Å; N468-V471 PolarHBondContact O-N 3.48Å; V471-L473 VanDerWaalsContact C-N 3.26Å; V471-L473 PolarHBondContact O-N 2.99Å; V471-F474 PolarHBondContact O-N 3.24Å; V471-Q490 HydrophobicContact CG1-CG 3.6Å; V471-I493 HydrophobicContact CB-CG2 4.25Å; V471-I493 HydrophobicContact CG1-CG2 4.39Å; V471-I493 HydrophobicContact CG2-CD1 4.22Å; V471-I493 HydrophobicContact CG2-CG2 3.98Å; V471-L494 HydrophobicContact CG1-CD1 4.46Å; V471-L494 HydrophobicContact CG1-CD2 3.86Å; V471-L494 HydrophobicContact CG1-CG 3.87Å
472P85.7Confident73.3Confident11 Ų1157.9 Ų57.97%0.07132%0.316CS..G310 helixtrans-65.8-25.8-178.6-19.531.9000114.4L470 F474 A475 L494 Y503L470-P472 VanDerWaalsContact C-N 3.31Å; P472-F474 VanDerWaalsContact C-N 3.28Å; P472-F474 PolarHBondContact O-N 3.16Å; P472-A475 WeakPolarHBondContact O-CB 3.47Å; P472-A475 PolarHBondContact O-N 3.41Å; P472-L494 HydrophobicContact CB-CD2 4.19Å; P472-L494 HydrophobicContact CG-CD2 3.89Å; P472-Y503 HydrophobicContact CB-CD2 4.01Å; P472-Y503 HydrophobicContact CB-CE1 4.3Å; P472-Y503 HydrophobicContact CB-CE2 3.3Å; P472-Y503 VanDerWaalsContact CB-CZ 3.46Å; P472-Y503 WeakPolarHBondContact CB-OH 3.2Å; P472-Y503 HydrophobicContact CG-CD2 3.98Å; P472-Y503 HydrophobicContact CG-CE2 3.78Å
473L84.7Confident74.9Confident47 Ų4752.7 Ų52.725%0.24628%0.279CS..G310 helixtrans-77.4-17.2-179.3-63.8172.8000112.8P103 K104 Y107 L470 V471P103-L473 VanDerWaalsContact C-CD1 3.49Å; P103-L473 HydrophobicContact CB-CD1 4.08Å; P103-L473 WeakPolarHBondContact O-CD1 3.38Å; K104-L473 HydrophobicContact CB-CD1 4.4Å; K104-L473 HydrophobicContact CD-CD1 4.48Å; K104-L473 HydrophobicContact CD-CD2 4.09Å; Y107-L473 HydrophobicContact CD1-CB 4.36Å; Y107-L473 HydrophobicContact CD1-CD1 4.4Å; Y107-L473 HydrophobicContact CD2-CB 4.24Å; Y107-L473 HydrophobicContact CG-CB 4.12Å; Y107-L473 HydrophobicContact CG-CD1 4.07Å; L470-L473 WeakPolarHBondContact O-CB 3.43Å; L470-L473 PolarHBondContact O-N 3.4Å; V471-L473 VanDerWaalsContact C-N 3.26Å; V471-L473 PolarHBondContact O-N 2.99Å
474F84.9Confident76.3Confident5 Ų549.8 Ų49.82%0.02227%0.274CS..G310 helixtrans-101.87.4176.2-67.5-75.2000112.9Y107 Y110 V139 P191 A195 L470 V471 P472 N476 L477Y107-F474 HydrophobicContact CD2-CD1 4.47Å; Y107-F474 AromaticContact CD2-CE1 3.82Å; Y107-F474 HydrophobicContact CD2-CE1 3.82Å; Y107-F474 AromaticContact CD2-CE2 3.92Å; Y107-F474 HydrophobicContact CD2-CE2 3.92Å; Y107-F474 AromaticContact CD2-CZ 3.5Å; Y107-F474 HydrophobicContact CD2-CZ 3.5Å; Y107-F474 VanDerWaalsContact CD2-CZ 3.5Å; Y107-F474 AromaticContact CE2-CD1 3.91Å; Y107-F474 HydrophobicContact CE2-CD1 3.91Å; Y107-F474 AromaticContact CE2-CE1 3.43Å; Y107-F474 HydrophobicContact CE2-CE1 3.43Å; Y107-F474 VanDerWaalsContact CE2-CE1 3.43Å; Y107-F474 HydrophobicContact CE2-CE2 4.31Å; Y107-F474 AromaticContact CE2-CZ 3.66Å; Y107-F474 HydrophobicContact CE2-CZ 3.66Å; Y110-F474 HydrophobicContact CD1-CZ 4.37Å; Y110-F474 HydrophobicContact CE1-CE1 4.43Å; V139-F474 HydrophobicContact CG1-CD1 4.07Å; V139-F474 HydrophobicContact CG1-CE1 3.51Å; V139-F474 HydrophobicContact CG1-CZ 4.31Å; P191-F474 HydrophobicContact CB-CB 4.21Å; P191-F474 HydrophobicContact CB-CD1 4.15Å; P191-F474 HydrophobicContact CB-CG 4.11Å; P191-F474 HydrophobicContact CG-CB 3.91Å; P191-F474 HydrophobicContact CG-CG 4.34Å; A195-F474 HydrophobicContact CB-CE2 3.91Å; A195-F474 HydrophobicContact CB-CZ 3.55Å; L470-F474 HydrophobicContact CB-CD2 4.32Å; L470-F474 HydrophobicContact CB-CE2 4.08Å; L470-F474 WeakPolarHBondContact O-CD2 3.49Å; V471-F474 PolarHBondContact O-N 3.24Å; P472-F474 VanDerWaalsContact C-N 3.28Å; P472-F474 PolarHBondContact O-N 3.16Å; F474-N476 VanDerWaalsContact C-N 3.28Å; F474-N476 PolarHBondContact O-N 3.32Å; F474-L477 HydrophobicContact CB-CD1 4.04Å; F474-L477 HydrophobicContact CD1-CD1 3.8Å; F474-L477 HydrophobicContact CD1-CG 4.47Å; F474-L477 HydrophobicContact CG-CD1 4.39Å; F474-L477 PolarHBondContact O-N 2.98Å
475A74.4Confident77.2Confident39 Ų3953 Ų5332%0.32228%0.279SS..THydrogen-bonded Turntrans-67.1-26.7-177.700000113.6P472 L477P472-A475 WeakPolarHBondContact O-CB 3.47Å; P472-A475 PolarHBondContact O-N 3.41Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.11Å
476N70.7Confident77.7Confident146 Ų14652.6 Ų52.678%0.78128%0.277SS*.THydrogen-bonded Turntrans-83-0.4-179.4-63.2-28.3000113.7F474F474-N476 VanDerWaalsContact C-N 3.28Å; F474-N476 PolarHBondContact O-N 3.32Å
477L70.8Confident77.6Confident33 Ų3351.7 Ų51.717%0.17327%0.267CS..SBendtrans-65.9144174.7-69.8176.3000109.9V139 P191 F474 A475 K479 F482V139-L477 VanDerWaalsContact O-CD1 3.24Å; V139-L477 WeakPolarHBondContact O-CD1 3.35Å; P191-L477 HydrophobicContact CB-CD1 3.93Å; P191-L477 HydrophobicContact CG-CD1 4.16Å; F474-L477 HydrophobicContact CB-CD1 4.04Å; F474-L477 HydrophobicContact CD1-CD1 3.8Å; F474-L477 HydrophobicContact CD1-CG 4.47Å; F474-L477 HydrophobicContact CG-CD1 4.39Å; F474-L477 PolarHBondContact O-N 2.98Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.11Å; L477-K479 PolarHBondContact O-N 2.86Å; L477-F482 HydrophobicContact CB-CE2 4.28Å; L477-F482 HydrophobicContact CD1-CE2 4.32Å; L477-F482 HydrophobicContact CD1-CZ 4.12Å
478P65.1Low77.7Confident47 Ų4756.6 Ų56.631%0.30529%0.286SS..  trans-56.4117.5-179.9-2736.9000111.9H480 R481P478-H480 WeakPolarHBondContact CB-CE1 3.46Å; P478-H480 PolarHBondContact O-N 3.06Å; P478-H480 VanDerWaalsContact O-N 3.16Å; P478-R481 HydrophobicContact CB-CG 4.36Å; P478-R481 WeakPolarHBondContact O-CB 3.16Å; P478-R481 WeakPolarHBondContact O-CG 3.29Å; P478-R481 PolarHBondContact O-N 2.78Å
479K58.4Low77.6Confident111 Ų11158.8 Ų58.848%0.48329%0.29SS..G310 helixtrans-58.8-30.6-171.3-64175.3-176.8168.20113.6L477 R481 F482 R487L477-K479 PolarHBondContact O-N 2.86Å; K479-R481 PolarHBondContact O-N 3.46Å; K479-F482 PolarHBondContact O-N 2.91Å; K479-R487 VanDerWaalsContact O-CZ 3.27Å; K479-R487 PolarHBondContact O-NE 2.9Å; K479-R487 PolarHBondContact O-NH2 3.12Å
480H59.1Low77.6Confident126 Ų12656.9 Ų56.958%0.58328%0.279SS*.G310 helixtrans-63.8-8.9-178.764.9-95.3000114.2P478P478-H480 WeakPolarHBondContact CB-CE1 3.46Å; P478-H480 PolarHBondContact O-N 3.06Å; P478-H480 VanDerWaalsContact O-N 3.16Å
481R72.9Confident77.6Confident62 Ų6262 Ų6223%0.23430%0.298CS..G310 helixtrans-82.8-14.9-176.5-70.1-177.2-174.9176.31.5114.8E140 L141 G142 D143 A146 P478 K479E140-R481 VanDerWaalsContact O-CD 3.24Å; E140-R481 WeakPolarHBondContact O-CD 3.42Å; E140-R481 PolarHBondContact O-NH1 2.69Å; L141-R481 VanDerWaalsContact O-CB 3.25Å; L141-R481 WeakPolarHBondContact O-CB 3.35Å; L141-R481 WeakPolarHBondContact O-CG 3.45Å; G142-R481 CarbonylContact C-O 3.27Å; G142-R481 VanDerWaalsContact C-O 3.27Å; G142-R481 WeakPolarHBondContact CA-O 3.49Å; D143-R481 PolarHBondContact N-O 2.87Å; A146-R481 VanDerWaalsContact CB-O 3.3Å; A146-R481 WeakPolarHBondContact CB-O 3.37Å; P478-R481 HydrophobicContact CB-CG 4.36Å; P478-R481 WeakPolarHBondContact O-CB 3.16Å; P478-R481 WeakPolarHBondContact O-CG 3.29Å; P478-R481 PolarHBondContact O-N 2.78Å; K479-R481 PolarHBondContact O-N 3.46Å
482F76.7Confident77.6Confident6 Ų666 Ų663%0.02632%0.317CS..SBendtrans-116.5151.3-173.4-60.2-80.5000111.7G142 P191 L477 K479 A486 R487G142-F482 VanDerWaalsContact CA-CE1 3.49Å; P191-F482 HydrophobicContact CB-CE1 4.29Å; P191-F482 HydrophobicContact CB-CZ 4.01Å; P191-F482 HydrophobicContact CG-CE1 4.07Å; P191-F482 HydrophobicContact CG-CE2 4.48Å; P191-F482 HydrophobicContact CG-CZ 3.79Å; L477-F482 HydrophobicContact CB-CE2 4.28Å; L477-F482 HydrophobicContact CD1-CE2 4.32Å; L477-F482 HydrophobicContact CD1-CZ 4.12Å; K479-F482 PolarHBondContact O-N 2.91Å; F482-A486 HydrophobicContact CB-CB 4.21Å; F482-R487 HydrophobicContact CB-CG 4.21Å; F482-R487 PolarHBondContact O-NE 3.38Å; F482-R487 PolarHBondContact O-NH2 3.19Å
483S78.2Confident77.6Confident16 Ų1666.2 Ų66.211%0.11232%0.317CS..  trans-57.9157.8171.458.30000112.5D143 N188 E485 A486 R487D143-S483 WeakPolarHBondContact OD2-CB 3.28Å; D143-S483 PolarHBondContact OD2-N 2.58Å; D143-S483 PolarHBondContact OD2-OG 3.02Å; N188-S483 PolarHBondContact OD1-OG 3.49Å; S483-E485 VanDerWaalsContact C-N 3.27Å; S483-E485 PolarHBondContact O-N 3.47Å; S483-A486 PolarHBondContact O-N 3.1Å; S483-A486 WeakPolarHBondContact OG-CB 3.47Å; S483-A486 PolarHBondContact OG-N 2.89Å; S483-R487 VanDerWaalsContact O-CG 3.32Å; S483-R487 WeakPolarHBondContact O-CG 3.28Å; S483-R487 PolarHBondContact O-N 3.46Å
484T78.5Confident77.7Confident94 Ų9466.5 Ų66.558%0.57732%0.319SS*.Hα-helixtrans-59.5-38.9177.151.80000111.6R487 K488T484-R487 PolarHBondContact O-N 2.72Å; T484-K488 WeakPolarHBondContact O-CB 3.37Å; T484-K488 PolarHBondContact O-N 3.49Å
485E80.9Confident77.8Confident125 Ų12573.6 Ų73.658%0.58435%0.349SS*.Hα-helixtrans-64.5-47.8176.8-62.9-171162.800112.2N188 S483 R487 K488 R489N188-E485 PolarHBondContact ND2-OE2 3.46Å; S483-E485 VanDerWaalsContact C-N 3.27Å; S483-E485 PolarHBondContact O-N 3.47Å; E485-R487 VanDerWaalsContact C-N 3.34Å; E485-R487 PolarHBondContact O-N 2.91Å; E485-K488 PolarHBondContact O-N 3Å; E485-R489 WeakPolarHBondContact O-CB 3.33Å; E485-R489 PolarHBondContact O-N 3.14Å
486A80.6Confident78.2Confident1 Ų177.7 Ų77.71%0.00836%0.36CS..Hα-helixtrans-60.3-43.9176.400000111.5L190 F482 S483 K488 R489 Q490L190-A486 HydrophobicContact CD2-CB 4.29Å; L190-A486 WeakPolarHBondContact CD2-O 3.08Å; F482-A486 HydrophobicContact CB-CB 4.21Å; S483-A486 PolarHBondContact O-N 3.1Å; S483-A486 WeakPolarHBondContact OG-CB 3.47Å; S483-A486 PolarHBondContact OG-N 2.89Å; A486-K488 PolarHBondContact O-N 2.88Å; A486-R489 PolarHBondContact O-N 3.06Å; A486-Q490 WeakPolarHBondContact O-CB 3.36Å; A486-Q490 PolarHBondContact O-N 3.31Å
487R81Confident78.7Confident65 Ų6571.8 Ų71.825%0.24533%0.328CS..Hα-helixtrans-60.4-45175.9-68.9178.3-153.4175.17.4111.7K479 F482 S483 T484 E485 Q490 R491K479-R487 VanDerWaalsContact O-CZ 3.27Å; K479-R487 PolarHBondContact O-NE 2.9Å; K479-R487 PolarHBondContact O-NH2 3.12Å; F482-R487 HydrophobicContact CB-CG 4.21Å; F482-R487 PolarHBondContact O-NE 3.38Å; F482-R487 PolarHBondContact O-NH2 3.19Å; S483-R487 VanDerWaalsContact O-CG 3.32Å; S483-R487 WeakPolarHBondContact O-CG 3.28Å; S483-R487 PolarHBondContact O-N 3.46Å; T484-R487 PolarHBondContact O-N 2.72Å; E485-R487 VanDerWaalsContact C-N 3.34Å; E485-R487 PolarHBondContact O-N 2.91Å; R487-Q490 PolarHBondContact O-N 3.14Å; R487-R491 WeakPolarHBondContact O-CG 3.2Å; R487-R491 PolarHBondContact O-N 3.13Å
488K85Confident79.1Confident123 Ų12373.6 Ų73.654%0.53534%0.343SS..Hα-helixtrans-60.2-47.2177.3-175.9176.3179175.30111T484 E485 A486 Q490 R491 E492T484-K488 WeakPolarHBondContact O-CB 3.37Å; T484-K488 PolarHBondContact O-N 3.49Å; E485-K488 PolarHBondContact O-N 3Å; A486-K488 PolarHBondContact O-N 2.88Å; K488-Q490 PolarHBondContact O-N 3.03Å; K488-R491 PolarHBondContact O-N 3.14Å; K488-E492 WeakPolarHBondContact O-CG 3.46Å; K488-E492 PolarHBondContact O-N 3.35Å
489R84.7Confident79.6Confident107 Ų10779.7 Ų79.740%0.40437%0.365SS..Hα-helixtrans-62.3-41.6178.1-167.1176.9179.1-141.6-10.2112.3L190 E193 E485 A486 E492 I493L190-R489 HydrophobicContact CD1-CG 4.28Å; E193-R489 IonicContact OE1-CZ 2.72Å; E193-R489 IonicContact OE1-NH1 2.74Å; E193-R489 PolarHBondContact OE1-NH1 2.91Å; E193-R489 IonicContact OE1-NH2 3.12Å; E193-R489 PolarHBondContact OE1-NH2 2.87Å; E193-R489 IonicContact OE2-CZ 3.14Å; E193-R489 IonicContact OE2-NH1 3.67Å; E193-R489 PolarHBondContact OE2-NH1 2.96Å; E485-R489 WeakPolarHBondContact O-CB 3.33Å; E485-R489 PolarHBondContact O-N 3.14Å; A486-R489 PolarHBondContact O-N 3.06Å; R489-E492 PolarHBondContact O-N 2.97Å; R489-I493 HydrophobicContact CG-CD1 4.41Å; R489-I493 WeakPolarHBondContact O-CG1 3.33Å; R489-I493 PolarHBondContact O-N 2.8Å
490Q85.2Confident80.3Confident27 Ų2782.9 Ų82.913%0.12638%0.375CS..Hα-helixtrans-61.2-47175.3-166.5177.50.200111.5L190 V471 A486 R487 K488 E492 I493 L494L190-Q490 HydrophobicContact CD2-CB 4.02Å; V471-Q490 HydrophobicContact CG1-CG 3.6Å; A486-Q490 WeakPolarHBondContact O-CB 3.36Å; A486-Q490 PolarHBondContact O-N 3.31Å; R487-Q490 PolarHBondContact O-N 3.14Å; K488-Q490 PolarHBondContact O-N 3.03Å; Q490-E492 VanDerWaalsContact C-N 3.33Å; Q490-E492 PolarHBondContact O-N 2.69Å; Q490-I493 PolarHBondContact O-N 3.16Å; Q490-L494 WeakPolarHBondContact O-CG 3.33Å; Q490-L494 PolarHBondContact O-N 2.83Å
491R85.7Confident80.3Confident108 Ų10879.7 Ų79.741%0.40838%0.377SS..Hα-helixtrans-60.1-42176.1-72.1172.9-179.2167.4-1.5111.5R487 K488 I493 L494 K495 D515R487-R491 WeakPolarHBondContact O-CG 3.2Å; R487-R491 PolarHBondContact O-N 3.13Å; K488-R491 PolarHBondContact O-N 3.14Å; R491-I493 PolarHBondContact O-N 3.05Å; R491-L494 PolarHBondContact O-N 3.4Å; R491-K495 WeakPolarHBondContact O-CB 3.38Å; R491-K495 VanDerWaalsContact O-CG 3.31Å; R491-K495 WeakPolarHBondContact O-CG 3.13Å; R491-K495 PolarHBondContact O-N 2.79Å; R491-D515 IonicContact NH2-OD2 3.12Å; R491-D515 PolarHBondContact NH2-OD2 3.07Å
492E87.5Confident79.6Confident86 Ų8682.4 Ų82.440%0.40240%0.395SS..Hα-helixtrans-62.6-40176.7-75.2178.8-167.400112.9K488 R489 Q490 K495 K496K488-E492 WeakPolarHBondContact O-CG 3.46Å; K488-E492 PolarHBondContact O-N 3.35Å; R489-E492 PolarHBondContact O-N 2.97Å; Q490-E492 VanDerWaalsContact C-N 3.33Å; Q490-E492 PolarHBondContact O-N 2.69Å; E492-K495 PolarHBondContact O-N 3.33Å; E492-K496 VanDerWaalsContact O-CG 3.3Å; E492-K496 WeakPolarHBondContact O-CG 3.29Å; E492-K496 PolarHBondContact O-N 2.74Å
493I85.6Confident78.4Confident17 Ų1786.3 Ų86.39%0.08741%0.41CS..Hα-helixtrans-66.4-45.1177.2-66.2162.3000110.6L190 N468 V471 R489 Q490 R491 K495 K496 Q497L190-I493 HydrophobicContact CD1-CD1 3.5Å; N468-I493 HydrophobicContact CB-CG2 4.08Å; N468-I493 WeakPolarHBondContact OD1-CD1 3.33Å; V471-I493 HydrophobicContact CB-CG2 4.25Å; V471-I493 HydrophobicContact CG1-CG2 4.39Å; V471-I493 HydrophobicContact CG2-CD1 4.22Å; V471-I493 HydrophobicContact CG2-CG2 3.98Å; R489-I493 HydrophobicContact CG-CD1 4.41Å; R489-I493 WeakPolarHBondContact O-CG1 3.33Å; R489-I493 PolarHBondContact O-N 2.8Å; Q490-I493 PolarHBondContact O-N 3.16Å; R491-I493 PolarHBondContact O-N 3.05Å; I493-K495 PolarHBondContact O-N 3.42Å; I493-K496 PolarHBondContact O-N 3.35Å; I493-Q497 WeakPolarHBondContact O-CG 3.5Å; I493-Q497 PolarHBondContact O-N 2.65Å
494L85.2Confident76.6Confident53 Ų5394.9 Ų94.928%0.27745%0.448SS..Hα-helixtrans-61.4-43.5176.8-70.4173.4000111.7V471 P472 Q490 R491 K496 Q497 S498V471-L494 HydrophobicContact CG1-CD1 4.46Å; V471-L494 HydrophobicContact CG1-CD2 3.86Å; V471-L494 HydrophobicContact CG1-CG 3.87Å; P472-L494 HydrophobicContact CB-CD2 4.19Å; P472-L494 HydrophobicContact CG-CD2 3.89Å; Q490-L494 WeakPolarHBondContact O-CG 3.33Å; Q490-L494 PolarHBondContact O-N 2.83Å; R491-L494 PolarHBondContact O-N 3.4Å; L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.17Å; L494-Q497 PolarHBondContact O-N 2.84Å; L494-S498 PolarHBondContact O-N 2.9Å; L494-S498 PolarHBondContact O-OG 2.94Å
495K87.1Confident74.7Confident153 Ų15396 Ų9667%0.66545%0.447SS*.Hα-helixtrans-61.1-39.8174.5-75.7178.7-180-176.50112.3R491 E492 I493 S498 K499R491-K495 WeakPolarHBondContact O-CB 3.38Å; R491-K495 VanDerWaalsContact O-CG 3.31Å; R491-K495 WeakPolarHBondContact O-CG 3.13Å; R491-K495 PolarHBondContact O-N 2.79Å; E492-K495 PolarHBondContact O-N 3.33Å; I493-K495 PolarHBondContact O-N 3.42Å; K495-S498 PolarHBondContact O-OG 3.5Å; K495-S498 VanDerWaalsContact O-OG 3.04Å; K495-K499 WeakPolarHBondContact O-CB 3.21Å; K495-K499 PolarHBondContact O-N 2.9Å
496K84.2Confident72.5Confident125 Ų12597.4 Ų97.454%0.54346%0.458SS..Hα-helixtrans-64.4-45.4174.8-74.8171.3-175.7171.60110.6E492 I493 L494 K499 Y500E492-K496 VanDerWaalsContact O-CG 3.3Å; E492-K496 WeakPolarHBondContact O-CG 3.29Å; E492-K496 PolarHBondContact O-N 2.74Å; I493-K496 PolarHBondContact O-N 3.35Å; L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.17Å; K496-K499 PolarHBondContact O-N 3.11Å; K496-Y500 WeakPolarHBondContact O-CD2 3.35Å; K496-Y500 PolarHBondContact O-N 3.43Å
497Q79.9Confident70.2Confident22 Ų22104.6 Ų104.610%0.10349%0.492CS..Hα-helixtrans-66.9-39.1-178.7-73.1-180-10.300113.7N468 I493 L494 K499 Y500 G501 L502N468-Q497 VanDerWaalsContact C-NE2 3.26Å; N468-Q497 PolarHBondContact O-NE2 3.1Å; I493-Q497 WeakPolarHBondContact O-CG 3.5Å; I493-Q497 PolarHBondContact O-N 2.65Å; L494-Q497 PolarHBondContact O-N 2.84Å; Q497-K499 VanDerWaalsContact C-N 3.35Å; Q497-Y500 PolarHBondContact O-N 2.92Å; Q497-G501 PolarHBondContact O-N 3.09Å; Q497-L502 PolarHBondContact O-N 2.94Å
498S79.4Confident68Low72 Ų72106.4 Ų106.450%0.50351%0.514SS..Hα-helixtrans-65-39.9175.266.30000111.5L494 K495 Y500 G501L494-S498 PolarHBondContact O-N 2.9Å; L494-S498 PolarHBondContact O-OG 2.94Å; K495-S498 PolarHBondContact O-OG 3.5Å; K495-S498 VanDerWaalsContact O-OG 3.04Å; S498-Y500 VanDerWaalsContact C-N 3.25Å; S498-Y500 PolarHBondContact O-N 2.99Å; S498-G501 PolarHBondContact O-N 3.28Å
499K77Confident65.8Low174 Ų174106 Ų10676%0.75752%0.518SS*.Hα-helixtrans-59.9-32.7176-172176.7-179178.60113.3K495 K496 Q497K495-K499 WeakPolarHBondContact O-CB 3.21Å; K495-K499 PolarHBondContact O-N 2.9Å; K496-K499 PolarHBondContact O-N 3.11Å; Q497-K499 VanDerWaalsContact C-N 3.35Å
500Y72.6Confident63.5Low179 Ų179106.3 Ų106.370%0.70253%0.527SS*.THydrogen-bonded Turntrans-90.45.1177.9-67.9-68.9000114K496 Q497 S498 L502K496-Y500 WeakPolarHBondContact O-CD2 3.35Å; K496-Y500 PolarHBondContact O-N 3.43Å; Q497-Y500 PolarHBondContact O-N 2.92Å; S498-Y500 VanDerWaalsContact C-N 3.25Å; S498-Y500 PolarHBondContact O-N 2.99Å; Y500-L502 PolarHBondContact O-N 3.38Å
501G59.4Low60.8Low59 Ų59113 Ų11361%0.60856%0.556SS**THydrogen-bonded Turntrans65.518.1-179.100000114.3Q497 S498 Y503Q497-G501 PolarHBondContact O-N 3.09Å; S498-G501 PolarHBondContact O-N 3.28Å; G501-Y503 PolarHBondContact O-N 2.87Å
502L58.2Low58.6Low118 Ų118113.7 Ų113.762%0.61857%0.568SS**  trans-77-7.8178.4-106.9107.8000113.1L469 Q497 Y500L469-L502 HydrophobicContact CD2-CD2 4.08Å; Q497-L502 PolarHBondContact O-N 2.94Å; Y500-L502 PolarHBondContact O-N 3.38Å
503Y50.3Low56.3Low88 Ų88114.2 Ų114.235%0.34558%0.577SS.*  trans-141.9121.6-174.9-160.2-108.8000111.2P472 G501 Q505P472-Y503 HydrophobicContact CB-CD2 4.01Å; P472-Y503 HydrophobicContact CB-CE1 4.3Å; P472-Y503 HydrophobicContact CB-CE2 3.3Å; P472-Y503 VanDerWaalsContact CB-CZ 3.46Å; P472-Y503 WeakPolarHBondContact CB-OH 3.2Å; P472-Y503 HydrophobicContact CG-CD2 3.98Å; P472-Y503 HydrophobicContact CG-CE2 3.78Å; G501-Y503 PolarHBondContact O-N 2.87Å; Y503-Q505 HydrophobicContact CD1-CB 4.17Å; Y503-Q505 HydrophobicContact CE1-CB 3.41Å; Y503-Q505 VanDerWaalsContact CE1-CB 3.41Å; Y503-Q505 PolarHBondContact OH-OE1 3.38Å
504Q41Very low54.4Low196 Ų196120.3 Ų120.392%0.91661%0.61SS**  trans-121.588.2168.2-74.6179.7-7.400107.2
505Q39.1Very low52.3Low119 Ų119122 Ų12256%0.55662%0.619SS**  trans-104.4135.2158.6-164.5178.23.800107.3Y503 H507Y503-Q505 HydrophobicContact CD1-CB 4.17Å; Y503-Q505 HydrophobicContact CE1-CB 3.41Å; Y503-Q505 VanDerWaalsContact CE1-CB 3.41Å; Y503-Q505 PolarHBondContact OH-OE1 3.38Å; Q505-H507 PolarHBondContact O-N 3.05Å; Q505-H507 VanDerWaalsContact O-N 3.16Å
506N34.1Very low50Low153 Ų153123.3 Ų123.382%0.81863%0.628SS**  trans-50120.3172.9-71.8-30.3000109.1S508N506-S508 PolarHBondContact O-N 3.42Å
507H32.1Very low47.7Very low153 Ų153122.1 Ų122.171%0.70863%0.634SS**  trans-51.299.4169.8-110.5-85.5000109.4Q505Q505-H507 PolarHBondContact O-N 3.05Å; Q505-H507 VanDerWaalsContact O-N 3.16Å
508S34.6Very low45.7Very low102 Ų102126.4 Ų126.471%0.71366%0.657SS**  trans-112.22.4159.9640000113.5N506N506-S508 PolarHBondContact O-N 3.42Å
509D38.6Very low43.6Very low116 Ų116130 Ų13062%0.6267%0.671SS**  trans-115.648.2171.2-66.44.8000109.9F511D509-F511 PolarHBondContact O-N 3.46Å
510L35.7Very low41.5Very low112 Ų112126.9 Ų126.959%0.58666%0.663SS**SBendtrans-72.4-9.3173.5-175.957.2000112.6
511F29.9Very low39.9Very low167 Ų167125.7 Ų125.773%0.73267%0.668SS**  trans-151.592.4171.8-67.7-78.1000111.2D509D509-F511 PolarHBondContact O-N 3.46Å
512D38.5Very low39.3Very low124 Ų124127.3 Ų127.366%0.66367%0.667SS**  trans-131.476.9153-117.13.6000105.2D514D512-D514 VanDerWaalsContact C-N 3.31Å
513T40Very low39.1Very low96 Ų96124.9 Ų124.959%0.58966%0.66SS**  trans-90.317.7-176.56.60000113.2
514D44.4Very low39.4Very low146 Ų146124.5 Ų124.578%0.78167%0.67SS**THydrogen-bonded Turntrans-93.55.4-174.6-67.3-3.9000114.3D512D512-D514 VanDerWaalsContact C-N 3.31Å
515D42.4Very low40.5Very low88 Ų88122.2 Ų122.247%0.47166%0.659SS.*THydrogen-bonded Turntrans-111.520.8177.4-84.1-5.4000113.7R491 C517R491-D515 IonicContact NH2-OD2 3.12Å; R491-D515 PolarHBondContact NH2-OD2 3.07Å; D515-C517 PolarHBondContact O-N 2.92Å
516E38.8Very low41.9Very low181 Ų181119 Ų11985%0.84665%0.653SS**THydrogen-bonded Turntrans-86.925173.1-130174.4-148.500113.3
517C36.3Very low43.5Very low99 Ų99114 Ų11467%0.66963%0.633SS**THydrogen-bonded Turntrans-100.93.9172.8-75.60000115.2D515D515-C517 PolarHBondContact O-N 2.92Å
518D36.6Very low45.4Very low113 Ų113110.7 Ų110.760%0.60462%0.623SS**THydrogen-bonded Turntrans-10456.7-177.7-72.3-15.2000113.2
519N35.5Very low47.4Very low146 Ų146112.1 Ų112.178%0.78162%0.619SS**THydrogen-bonded Turntrans-143.412156.4-80.3-56.8000114
520D33.2Very low49.1Very low110 Ų110109.5 Ų109.559%0.58861%0.613SS**  trans-109.788.5169.6-80.3-11.4000107.5T522 S523D520-T522 WeakPolarHBondContact CB-OG1 3.27Å; D520-T522 PolarHBondContact O-N 3.42Å; D520-S523 VanDerWaalsContact O-CB 3.23Å; D520-S523 WeakPolarHBondContact O-CB 3.48Å; D520-S523 PolarHBondContact O-N 2.79Å
521D38.2Very low51.1Low154 Ų154110.1 Ų110.182%0.82462%0.616SS**THydrogen-bonded Turntrans-57-11.4165.1-76.9-36.7000111.6S523 S524D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S524 PolarHBondContact O-OG 2.97Å
522T47.3Very low53.5Low93 Ų93106.7 Ų106.757%0.57161%0.605SS**Hα-helixtrans-69-18.9166.132.30000114.7D520 A526D520-T522 WeakPolarHBondContact CB-OG1 3.27Å; D520-T522 PolarHBondContact O-N 3.42Å; T522-A526 WeakPolarHBondContact O-CB 3.45Å; T522-A526 PolarHBondContact O-N 2.78Å; T522-A526 VanDerWaalsContact O-N 3.07Å
523S54.5Low55.3Low67 Ų67103.9 Ų103.947%0.46960%0.596SS.*Hα-helixtrans-75.2-38.2-177.8179.10000112.8D520 D521 A526 A527D520-S523 VanDerWaalsContact O-CB 3.23Å; D520-S523 WeakPolarHBondContact O-CB 3.48Å; D520-S523 PolarHBondContact O-N 2.79Å; D521-S523 VanDerWaalsContact C-N 3.32Å; S523-A526 PolarHBondContact O-N 3.17Å; S523-A527 WeakPolarHBondContact O-CB 3.3Å; S523-A527 PolarHBondContact O-N 3.36Å
524S56.6Low57.1Low80 Ų80102.3 Ų102.356%0.55959%0.592SS**Hα-helixtrans-66.1-41.2178.967.10000111.7D521 V528D521-S524 PolarHBondContact O-OG 2.97Å; S524-V528 WeakPolarHBondContact O-CB 3.38Å; S524-V528 WeakPolarHBondContact O-CG2 3.33Å; S524-V528 PolarHBondContact O-N 3.13Å
525E63.9Low58.6Low147 Ų14798.2 Ų98.269%0.68758%0.578SS**Hα-helixtrans-69-42.5175.5-166.5168-166.500111.4A527 V528 E529E525-A527 PolarHBondContact O-N 2.64Å; E525-V528 PolarHBondContact O-N 3.18Å; E525-E529 VanDerWaalsContact O-CB 3.29Å; E525-E529 WeakPolarHBondContact O-CB 3.42Å; E525-E529 PolarHBondContact O-N 3.36Å
526A69.8Low60.4Low52 Ų52101.2 Ų101.243%0.4359%0.587SS.*Hα-helixtrans-65.7-36.4175.500000113.2T522 S523 E529 A530T522-A526 WeakPolarHBondContact O-CB 3.45Å; T522-A526 PolarHBondContact O-N 2.78Å; T522-A526 VanDerWaalsContact O-N 3.07Å; S523-A526 PolarHBondContact O-N 3.17Å; A526-E529 PolarHBondContact O-N 2.83Å; A526-A530 VanDerWaalsContact O-CB 3.23Å; A526-A530 WeakPolarHBondContact O-CB 3.48Å; A526-A530 PolarHBondContact O-N 2.87Å
527A67Low62Low48 Ų4895.3 Ų95.340%0.39757%0.57SS.*Hα-helixtrans-68.8-40.9176.500000111.3S523 E525 A530 L531S523-A527 WeakPolarHBondContact O-CB 3.3Å; S523-A527 PolarHBondContact O-N 3.36Å; E525-A527 PolarHBondContact O-N 2.64Å; A527-A530 PolarHBondContact O-N 2.8Å; A527-L531 WeakPolarHBondContact O-CB 3.29Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.2Å
528V72.4Confident63.5Low84 Ų8492.2 Ų92.251%0.50956%0.555SS.*Hα-helixtrans-66.8-39.3173.6174.20000110.8S524 E525 L531 N532S524-V528 WeakPolarHBondContact O-CB 3.38Å; S524-V528 WeakPolarHBondContact O-CG2 3.33Å; S524-V528 PolarHBondContact O-N 3.13Å; E525-V528 PolarHBondContact O-N 3.18Å; V528-L531 PolarHBondContact O-N 3.14Å; V528-N532 WeakPolarHBondContact O-CB 3.35Å; V528-N532 PolarHBondContact O-N 2.85Å; V528-N532 PolarHBondContact O-ND2 2.67Å
529E76Confident65Low132 Ų13293.4 Ų93.462%0.61756%0.556SS**Hα-helixtrans-67.8-36.8175.9-165.1175.2-158.200112.2E525 A526 N532 S533E525-E529 VanDerWaalsContact O-CB 3.29Å; E525-E529 WeakPolarHBondContact O-CB 3.42Å; E525-E529 PolarHBondContact O-N 3.36Å; A526-E529 PolarHBondContact O-N 2.83Å; E529-N532 PolarHBondContact O-N 3.4Å; E529-S533 VanDerWaalsContact O-CB 3.24Å; E529-S533 WeakPolarHBondContact O-CB 3.46Å; E529-S533 PolarHBondContact O-N 2.9Å; E529-S533 PolarHBondContact O-OG 3.49Å
530A74.7Confident66.2Low60 Ų6088.7 Ų88.750%0.49654%0.538SS..Hα-helixtrans-66.9-42.3173.600000111.9A526 A527 S533 A534A526-A530 VanDerWaalsContact O-CB 3.23Å; A526-A530 WeakPolarHBondContact O-CB 3.48Å; A526-A530 PolarHBondContact O-N 2.87Å; A527-A530 PolarHBondContact O-N 2.8Å; A530-S533 PolarHBondContact O-N 3.29Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 2.9Å
531L77Confident67.3Low125 Ų12591.3 Ų91.365%0.65454%0.539SS*.Hα-helixtrans-63.9-43.9173.9-77.3170000111.7A527 V528 S533 A534 A535A527-L531 WeakPolarHBondContact O-CB 3.29Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.2Å; V528-L531 PolarHBondContact O-N 3.14Å; L531-S533 VanDerWaalsContact C-N 3.32Å; L531-S533 PolarHBondContact O-N 3.42Å; L531-A534 PolarHBondContact O-N 3.38Å; L531-A535 WeakPolarHBondContact O-CB 3.24Å; L531-A535 PolarHBondContact O-N 2.96Å
532N80.3Confident68.1Low95 Ų9589.6 Ų89.651%0.50853%0.53SS..Hα-helixtrans-65.3-35.9175.6-80.7-31.6000112.2V528 E529 K536V528-N532 WeakPolarHBondContact O-CB 3.35Å; V528-N532 PolarHBondContact O-N 2.85Å; V528-N532 PolarHBondContact O-ND2 2.67Å; E529-N532 PolarHBondContact O-N 3.4Å; N532-K536 WeakPolarHBondContact O-CB 3.41Å; N532-K536 WeakPolarHBondContact O-CG 3.47Å; N532-K536 PolarHBondContact O-N 3.5Å
533S77.5Confident68.7Low66 Ų6689.9 Ų89.946%0.46253%0.531SS..Hα-helixtrans-69.5-39.6174.8-65.90000111.9E529 A530 L531 K536 A537E529-S533 VanDerWaalsContact O-CB 3.24Å; E529-S533 WeakPolarHBondContact O-CB 3.46Å; E529-S533 PolarHBondContact O-N 2.9Å; E529-S533 PolarHBondContact O-OG 3.49Å; A530-S533 PolarHBondContact O-N 3.29Å; L531-S533 VanDerWaalsContact C-N 3.32Å; L531-S533 PolarHBondContact O-N 3.42Å; S533-K536 PolarHBondContact O-N 3.2Å; S533-A537 WeakPolarHBondContact O-CB 3.45Å; S533-A537 PolarHBondContact O-N 3.28Å
534A76.1Confident68.7Low63 Ų6392.7 Ų92.752%0.52154%0.541SS..Hα-helixtrans-65.7-40.3174.400000111.8A530 L531 A537 G538A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 2.9Å; L531-A534 PolarHBondContact O-N 3.38Å; A534-A537 PolarHBondContact O-N 3.29Å; A534-G538 PolarHBondContact O-N 3.41Å
535A77.2Confident68.3Low59 Ų5995.6 Ų95.649%0.48855%0.546SS..Hα-helixtrans-61.7-46.6173.600000111.5L531 A537 G538 E539L531-A535 WeakPolarHBondContact O-CB 3.24Å; L531-A535 PolarHBondContact O-N 2.96Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A535-A537 PolarHBondContact O-N 3.4Å; A535-G538 PolarHBondContact O-N 2.96Å; A535-E539 PolarHBondContact O-N 3.04Å
536K79Confident67.3Low151 Ų15196 Ų9666%0.65755%0.552SS**Hα-helixtrans-62.1-38.3174.2-77.2177.9-178.7174.20112.8N532 S533 G538 E539 A540N532-K536 WeakPolarHBondContact O-CB 3.41Å; N532-K536 WeakPolarHBondContact O-CG 3.47Å; N532-K536 PolarHBondContact O-N 3.5Å; S533-K536 PolarHBondContact O-N 3.2Å; K536-G538 VanDerWaalsContact C-N 3.35Å; K536-E539 PolarHBondContact O-N 3.41Å; K536-A540 WeakPolarHBondContact O-CB 2.95Å; K536-A540 PolarHBondContact O-N 3.09Å
537A73.6Confident66Low58 Ų5896.5 Ų96.548%0.47956%0.563SS.*Hα-helixtrans-66.6-37.2175.900000111.8S533 A534 A535 A540 W541S533-A537 WeakPolarHBondContact O-CB 3.45Å; S533-A537 PolarHBondContact O-N 3.28Å; A534-A537 PolarHBondContact O-N 3.29Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A535-A537 PolarHBondContact O-N 3.4Å; A537-A540 PolarHBondContact O-N 2.85Å; A537-W541 WeakPolarHBondContact O-CB 3.42Å; A537-W541 PolarHBondContact O-N 3.32Å
538G67.3Low64.5Low34 Ų34102.7 Ų102.735%0.35158%0.583SS.*Hα-helixtrans-62.3-41.7172.500000112.8A534 A535 K536 W541 L542A534-G538 PolarHBondContact O-N 3.41Å; A535-G538 PolarHBondContact O-N 2.96Å; K536-G538 VanDerWaalsContact C-N 3.35Å; G538-W541 PolarHBondContact O-N 3.1Å; G538-L542 PolarHBondContact O-N 2.73Å; G538-L542 VanDerWaalsContact O-N 3.08Å
539E67.7Low62.5Low137 Ų137108.2 Ų108.264%0.6460%0.604SS**Hα-helixtrans-67.9-38.8173.7-70.5-170.1161.600112.7A535 K536 W541 L542 T543A535-E539 PolarHBondContact O-N 3.04Å; K536-E539 PolarHBondContact O-N 3.41Å; E539-W541 VanDerWaalsContact C-N 3.31Å; E539-W541 PolarHBondContact O-N 3.14Å; E539-L542 PolarHBondContact O-N 3.42Å; E539-T543 WeakPolarHBondContact O-CG2 3.32Å; E539-T543 PolarHBondContact O-N 3.47Å; E539-T543 PolarHBondContact O-OG1 2.76Å
540A61.5Low60.3Low47 Ų47105.1 Ų105.139%0.38861%0.607SS.*Hα-helixtrans-65.3-33.7175.200000112.5K536 A537 T543 N544K536-A540 WeakPolarHBondContact O-CB 2.95Å; K536-A540 PolarHBondContact O-N 3.09Å; A537-A540 PolarHBondContact O-N 2.85Å; A540-T543 WeakPolarHBondContact CA-OG1 3.43Å; A540-T543 PolarHBondContact O-OG1 3.25Å; A540-N544 WeakPolarHBondContact O-CB 3.06Å; A540-N544 PolarHBondContact O-N 2.95Å
541W56.3Low58.1Low165 Ų165112.3 Ų112.363%0.62563%0.627SS**Hα-helixtrans-70.8-42.9174.8-17274.5000111.9A537 G538 E539 T543 N544 E545A537-W541 WeakPolarHBondContact O-CB 3.42Å; A537-W541 PolarHBondContact O-N 3.32Å; G538-W541 PolarHBondContact O-N 3.1Å; E539-W541 VanDerWaalsContact C-N 3.31Å; E539-W541 PolarHBondContact O-N 3.14Å; W541-T543 VanDerWaalsContact C-N 3.31Å; W541-T543 PolarHBondContact O-N 3.27Å; W541-N544 PolarHBondContact O-N 2.61Å; W541-E545 HydrophobicContact CZ2-CG 4.42Å; W541-E545 PolarHBondContact O-N 3.35Å
542L54Low55.9Low118 Ų118115.9 Ų115.962%0.61864%0.637SS**Hα-helixtrans-63.4-33.7175.9-82.6163.9000113.2G538 E539G538-L542 PolarHBondContact O-N 2.73Å; G538-L542 VanDerWaalsContact O-N 3.08Å; E539-L542 PolarHBondContact O-N 3.42Å
543T60.4Low53.3Low99 Ų99120.7 Ų120.761%0.60766%0.657SS**Hα-helixtrans-81.2-29.8179.949.90000113.5E539 A540 W541E539-T543 WeakPolarHBondContact O-CG2 3.32Å; E539-T543 PolarHBondContact O-N 3.47Å; E539-T543 PolarHBondContact O-OG1 2.76Å; A540-T543 WeakPolarHBondContact CA-OG1 3.43Å; A540-T543 PolarHBondContact O-OG1 3.25Å; W541-T543 VanDerWaalsContact C-N 3.31Å; W541-T543 PolarHBondContact O-N 3.27Å
544N54.1Low51Low126 Ų126124.7 Ų124.767%0.67467%0.671SS**Hα-helixtrans-78.3-34178.4-92.7-21.6000113.7A540 W541 G547A540-N544 WeakPolarHBondContact O-CB 3.06Å; A540-N544 PolarHBondContact O-N 2.95Å; W541-N544 PolarHBondContact O-N 2.61Å; N544-G547 PolarHBondContact O-N 3.4Å
545E49.4Very low48.5Very low141 Ų141126.9 Ų126.966%0.65968%0.683SS**Hα-helixtrans-74.8-28.8178.6-79.6-105.8140.200112.6W541 G547W541-E545 HydrophobicContact CZ2-CG 4.42Å; W541-E545 PolarHBondContact O-N 3.35Å; E545-G547 PolarHBondContact O-N 3.04Å
546L42.9Very low46.1Very low156 Ų156132 Ų13282%0.81770%0.701SS**THydrogen-bonded Turntrans-75.9-10176.8-136.287000113.5
547G42Very low43.7Very low63 Ų63130 Ų13065%0.64971%0.706SS**THydrogen-bonded Turntrans-92.1-5.6-175.700000115.7N544 E545N544-G547 PolarHBondContact O-N 3.4Å; E545-G547 PolarHBondContact O-N 3.04Å
548Q35.3Very low41.8Very low178 Ų178131.8 Ų131.883%0.83271%0.713SS**  trans-118.369.3-178.4-69.9-165-1.300112.6G550Q548-G550 PolarHBondContact O-N 3.45Å
549E29.5Very low39.9Very low200 Ų200135.5 Ų135.594%0.93574%0.74SS**  trans-70.2114.8151.7-77.8-166.7151.200109.7
550G31.4Very low38.2Very low67 Ų67137.8 Ų137.869%0.69175%0.748SS**  trans-148.761.5-178.500000113.7Q548 K552Q548-G550 PolarHBondContact O-N 3.45Å; G550-K552 PolarHBondContact O-N 3.46Å
551K28.4Very low36.7Very low210 Ų210140.8 Ų140.891%0.91377%0.766SS**  trans2295.8152.8-69.5174.5177.4171.60116.8
552K30.1Very low35.4Very low201 Ų201144 Ų14487%0.87478%0.778SS**  trans-137.8107.9145.5-77-167.8-179.4172.30111.2G550 I554G550-K552 PolarHBondContact O-N 3.46Å; K552-I554 PolarHBondContact O-N 3.12Å
553Q25.7Very low34.1Very low196 Ų196148.1 Ų148.192%0.91679%0.792SS**  trans-68.9107.8172.1-168.7176.28.600108.8
554I28.3Very low32.3Very low149 Ų149146.8 Ų146.876%0.76480%0.798SS**  trans-125.3110.5160.7-63.8178000106.8K552K552-I554 PolarHBondContact O-N 3.12Å
555S23.9Very low31Very low109 Ų109149.6 Ų149.676%0.76280%0.804SS**  trans-71.9119.2171.151.80000110.2
556L28.1Very low30Very low166 Ų166151.1 Ų151.187%0.86982%0.816SS**  trans-154.9116.5150.8-100.8139.3000108.2
557S27.1Very low29.2Very low109 Ų109152.4 Ų152.476%0.76282%0.818SS**  trans-77.1174.4175.161.80000111.9
558P33.6Very low28.3Very low96 Ų96155 Ų15562%0.62383%0.826SS**  -110.2126.5-86.832.5-16.4000111.2K560P558-K560 HydrophobicContact CB-CG 4.37Å; P558-K560 PolarHBondContact O-N 2.8Å
559A27.9Very low27.9Very low112 Ų112151.7 Ų151.793%0.92682%0.822SS**  trans-85.291.615900000108S561A559-S561 PolarHBondContact O-N 3.28Å
560K33.5Very low27.6Very low186 Ų186146.7 Ų146.781%0.80981%0.81SS**  trans-82111.4172.9-78.2179.9179.2178.70109.6P558P558-K560 HydrophobicContact CB-CG 4.37Å; P558-K560 PolarHBondContact O-N 2.8Å
561S29.4Very low27.3Very low110 Ų110148.8 Ų148.877%0.76981%0.809SS**  trans53.8107.7142.9-161.70000118.3A559A559-S561 PolarHBondContact O-N 3.28Å
562W27.8Very low27Very low231 Ų231146.5 Ų146.588%0.87580%0.802SS**SBendtrans-9927.7-177.4-164.86.2000114.5
563F26.8Very low26.8Very low205 Ų205146.4 Ų146.490%0.89980%0.802SS**  trans-127.947.7173.6-74.1-72.3000113.8
564G23.7Very low26.6Very low72 Ų72140.2 Ų140.274%0.74279%0.79SS**  trans-134.644170.100000113.2
565F26.9Very low26.3Very low184 Ų184140.6 Ų140.681%0.80779%0.794SS**  trans-134.324.2179.3-152.2-99.3000116.4
566L28.8Very low26.5Very low174 Ų174145.4 Ų145.491%0.91180%0.801SS**  trans-125.357.7164.3-71.9169000110.6
567H25.1Very low26.2Very low182 Ų182146 Ų14684%0.84380%0.799SS**SBendtrans-128.2126.4150.1-96.3-71.7000110.1
568S23.8Very low26.1Very low117 Ų117148.5 Ų148.582%0.81880%0.802SS**  trans67.4114.9153-78.60000120.2
569S26.1Very low25.6Very low109 Ų109148.1 Ų148.176%0.76280%0.802SS**  -153.5107.9121.165.10000106.7
570S23.5Very low25.3Very low96 Ų96147.9 Ų147.967%0.67179%0.793SS**  72.2133.695.562.70000111.9
571T24.2Very low25Very low111 Ų111145.1 Ų145.168%0.68179%0.792SS**  cis-179.9143.621.315.50000107.5
572E22.5Very low24.6Very low162 Ų162148.3 Ų148.376%0.75780%0.795SS**  trans78.9142.4132.7-75.6-174176.500124.7
573K25.4Very low24.5Very low199 Ų199142.6 Ų142.687%0.86579%0.79SS**  trans79.8123.9163.9-58.5-178.7-173.4173.30116.1
574G22.6Very low24.3Very low65 Ų65141.5 Ų141.567%0.6779%0.785SS**  cis170.6146.94.700000109.1
575D21.9Very low24.5Very low158 Ų158145.5 Ų145.585%0.84579%0.789SS**  trans45.7112.3149.4-55-26.7000120.4
576K28.8Very low24.3Very low209 Ų209142 Ų14291%0.90978%0.783SS**  -171.9121.299.6-101.6169.7-178.2175.20112.4
577Q21.1Very low23.9Very low180 Ų180144 Ų14484%0.84178%0.778SS**  trans-61.5153.3159.4-66172.5-33.900111.5
578I25.8Very low23.8Very low160 Ų160141.3 Ų141.382%0.82177%0.77SS**  trans17790.8133.1-81.4147.5000103.5
579S22.5Very low23.8Very low88 Ų88139.3 Ų139.362%0.61576%0.756SS**  56.5101.178.177.40000115.7
580S21.6Very low23.6Very low107 Ų107140 Ų14075%0.74875%0.751SS**  66.6165.3121.170.20000121.6
581V27.2Very low24Very low129 Ų129144 Ų14478%0.78276%0.759SS**  trans93.496178.6-170.40000110.9
582Q20.7Very low23.9Very low176 Ų176143.7 Ų143.782%0.82276%0.761SS**  cis59.9103.438.7-151.8-176.617.900113.9
583S25.6Very low24.1Very low111 Ų111140.5 Ų140.578%0.77676%0.756SS**  trans168.7113.1143.3-74.70000107
584K21.7Very low24Very low182 Ų182138.1 Ų138.179%0.79175%0.753SS**  47.5110.670.2-85.1-174.9176.8175.80113.4
585D28Very low24.2Very low157 Ų157141.9 Ų141.984%0.8476%0.757SS**  trans177.6105138.5-84.3-25000105.1
586V22.9Very low24.6Very low110 Ų110142.2 Ų142.267%0.66776%0.758SS**  57.2132.658.8-1590000112.5
587R21.7Very low24.3Very low215 Ų215139 Ų13981%0.81175%0.751SS**  trans86.2141.5163.5-54.5-167.1-175.9147.91.5113.6
588N22.2Very low24.7Very low127 Ų127136.6 Ų136.668%0.67975%0.748SS**  cis-172.7130.6-1.5-116.5-0.2000103.2
589S22.8Very low24.7Very low74 Ų74135.6 Ų135.652%0.51775%0.745SS.*  66.712895.388.10000114.1
590N23Very low25Very low124 Ų124137.3 Ų137.366%0.66375%0.747SS**  trans83.5114.2146-48.4-23000115.6
591H31.4Very low25.6Very low181 Ų181138.5 Ų138.584%0.83875%0.745SS**  -164.399.595.2-92.4-72.1000110
592S23.5Very low25.4Very low103 Ų103138.4 Ų138.472%0.7274%0.744SS**  trans-52.8142.8141.549.70000110.7
593S25.6Very low26Very low95 Ų95134.9 Ų134.966%0.66474%0.737SS**  trans179.4113.9131.636.90000109.1
594L23.6Very low26.1Very low150 Ų150136.5 Ų136.579%0.78574%0.737SS**  82.1101.9104.9-68.4171.2000111
595L25.6Very low26.4Very low144 Ų144133.4 Ų133.475%0.75473%0.734SS**  38.294.478.2-68.7174.7000111.6
596N31.1Very low26.5Very low165 Ų165132.4 Ų132.488%0.88273%0.728SS**  trans-114.9105151.4-99.5-6.6000108.5
597L23.2Very low26.8Very low142 Ų142134.4 Ų134.474%0.74373%0.734SS**  trans-70.3137.1150.7-74128.5000108.7
598T29.4Very low27.3Very low129 Ų129131.6 Ų131.679%0.79173%0.734SS**  trans-156.2105.8143.746.90000106
599N26.1Very low27.6Very low139 Ų139130.5 Ų130.574%0.74374%0.737SS**  57.5107.690.2-84.713.2000111.8
600N28.6Very low28Very low123 Ų123134.2 Ų134.266%0.65875%0.751SS**  164.7145.590.3-108.322.7000112.9
601D32.7Very low28.3Very low132 Ų132134 Ų13471%0.70676%0.759SS**  trans73.698.6142.3-52.4-23.7000121.1
602T23.8Very low28.3Very low127 Ų127130.1 Ų130.178%0.77975%0.753SS**  trans-48.8157.5132.444.40000111.8
603P34.4Very low28.8Very low103 Ų103130.4 Ų130.467%0.66976%0.755SS**  cis-151.6174.539.143.7-22.7000118.4
604D27.4Very low29.3Very low144 Ų144134.1 Ų134.177%0.7776%0.761SS**  trans82135.8140.5-70-19.7000124
605T28.4Very low30.2Very low118 Ų118132.6 Ų132.672%0.72476%0.761SS**  trans92.6109.8157.354.20000120.5
606D29.7Very low31.2Very low135 Ų135130.5 Ų130.572%0.72275%0.754SS**  trans81.495.7131.4-56.6-19000119.6D608D606-D608 PolarHBondContact O-N 3.4Å
607I28.5Very low32.3Very low153 Ų153125.3 Ų125.379%0.78573%0.73SS**  15.596.2119.3-50.9173.4000113.3
608D32.3Very low34.1Very low155 Ų155125.5 Ų125.583%0.82973%0.73SS**  trans-139.4123.3131.9-100-33.2000110.2D606 D610D606-D608 PolarHBondContact O-N 3.4Å; D608-D610 PolarHBondContact O-N 3.12Å
609S27.8Very low35.6Very low105 Ų105129.4 Ų129.473%0.73473%0.731SS**  trans-70.497.717446.60000109.6
610D31.7Very low37.2Very low151 Ų151131.5 Ų131.581%0.80773%0.728SS**  trans-125.398.8155.9-95-27.1000109.7D608 S612D608-D610 PolarHBondContact O-N 3.12Å; D610-S612 PolarHBondContact O-N 2.91Å
611S29.7Very low38.9Very low119 Ų119132.2 Ų132.283%0.83273%0.726SS**  trans-67.171.8164.757.80000109.4S613S611-S613 VanDerWaalsContact C-N 3.28Å; S611-S613 PolarHBondContact O-N 3.3Å
612S30.5Very low40.6Very low101 Ų101128.1 Ų128.171%0.70671%0.71SS**  trans-7788.4164.364.50000107.7D610 E614D610-S612 PolarHBondContact O-N 2.91Å; S612-E614 VanDerWaalsContact C-N 3.34Å; S612-E614 PolarHBondContact O-N 3.36Å
613S35Very low42.9Very low109 Ų109125 Ų12576%0.76270%0.697SS**  trans-55.799.616253.20000108.1S611 P615S611-S613 VanDerWaalsContact C-N 3.28Å; S611-S613 PolarHBondContact O-N 3.3Å; S613-P615 WeakPolarHBondContact O-CD 3.33Å
614E35.4Very low44.8Very low172 Ų172126 Ų12680%0.80470%0.695SS**  trans-57.8123170.4-73.9-151.3158.700108.4S612 V616S612-E614 VanDerWaalsContact C-N 3.34Å; S612-E614 PolarHBondContact O-N 3.36Å; E614-V616 PolarHBondContact O-N 2.92Å
615P42.4Very low47.1Very low119 Ų119122.2 Ų122.277%0.77368%0.681SS**  trans-66110.7178.526-31.3000107.9S613 S617S613-P615 WeakPolarHBondContact O-CD 3.33Å; P615-S617 PolarHBondContact O-N 3.28Å
616V47.5Very low49.4Very low100 Ų100119.1 Ų119.161%0.60667%0.667SS**  trans-52.6106.6169.1179.30000106.9E614 I618 F621E614-V616 PolarHBondContact O-N 2.92Å; V616-I618 PolarHBondContact O-N 2.92Å; V616-F621 HydrophobicContact CB-CE2 4.12Å; V616-F621 HydrophobicContact CG1-CD2 4.01Å; V616-F621 HydrophobicContact CG1-CE2 3.41Å; V616-F621 VanDerWaalsContact CG1-CE2 3.41Å; V616-F621 HydrophobicContact CG1-CZ 4.17Å
617S54Low51.8Low56 Ų56114.1 Ų114.139%0.39265%0.647SS.*  trans-58.6127.5-166.8870000109.6P615 W619 R620P615-S617 PolarHBondContact O-N 3.28Å; S617-W619 PolarHBondContact O-N 2.6Å; S617-R620 PolarHBondContact O-N 2.88Å
618I61.9Low54.3Low145 Ų145114 Ų11474%0.74464%0.642SS**Hα-helixtrans-49.2-28.3177.8-68.1163.1000111V616 R620 F621 A622V616-I618 PolarHBondContact O-N 2.92Å; I618-R620 PolarHBondContact O-N 2.82Å; I618-F621 PolarHBondContact O-N 3.4Å; I618-A622 WeakPolarHBondContact O-CB 3.42Å; I618-A622 PolarHBondContact O-N 3.11Å
619W59.6Low56.7Low211 Ų211112.9 Ų112.980%0.79963%0.633SS**Hα-helixtrans-61.5-34.6173.6-71100.8000114.7S617 A623S617-W619 PolarHBondContact O-N 2.6Å; W619-A623 VanDerWaalsContact O-CB 3.23Å; W619-A623 WeakPolarHBondContact O-CB 3.5Å; W619-A623 PolarHBondContact O-N 2.97Å
620R59.6Low59.3Low184 Ų184111.7 Ų111.769%0.69462%0.621SS**Hα-helixtrans-70.2-41.3175.9-74.3-166.2170.8-1700.3111.9S617 I618 A623 I624S617-R620 PolarHBondContact O-N 2.88Å; I618-R620 PolarHBondContact O-N 2.82Å; R620-A623 PolarHBondContact O-N 3.3Å; R620-I624 WeakPolarHBondContact O-CB 3.33Å; R620-I624 WeakPolarHBondContact O-CD1 3.33Å; R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.37Å
621F65Low61.7Low138 Ų138108.4 Ų108.461%0.60561%0.609SS**Hα-helixtrans-65.3-42.3174.2-77.3-71.9000111.6V616 I618 I624 S625V616-F621 HydrophobicContact CB-CE2 4.12Å; V616-F621 HydrophobicContact CG1-CD2 4.01Å; V616-F621 HydrophobicContact CG1-CE2 3.41Å; V616-F621 VanDerWaalsContact CG1-CE2 3.41Å; V616-F621 HydrophobicContact CG1-CZ 4.17Å; I618-F621 PolarHBondContact O-N 3.4Å; F621-I624 PolarHBondContact O-N 3.03Å; F621-S625 WeakPolarHBondContact O-CB 3.24Å; F621-S625 PolarHBondContact O-N 3.35Å; F621-S625 PolarHBondContact O-OG 3.1Å
622A67.6Low64.1Low45 Ų45105 Ų10537%0.37259%0.588SS.*Hα-helixtrans-60.7-45.9174.500000111.6I618 S625 A626I618-A622 WeakPolarHBondContact O-CB 3.42Å; I618-A622 PolarHBondContact O-N 3.11Å; A622-S625 PolarHBondContact O-N 3.34Å; A622-S625 PolarHBondContact O-OG 3.08Å; A622-A626 WeakPolarHBondContact O-CB 3.41Å; A622-A626 PolarHBondContact O-N 3.01Å
623A72.1Confident66.6Low62 Ų62103.6 Ų103.651%0.51258%0.578SS.*Hα-helixtrans-64.7-41.4178.800000113.1W619 R620 G627W619-A623 VanDerWaalsContact O-CB 3.23Å; W619-A623 WeakPolarHBondContact O-CB 3.5Å; W619-A623 PolarHBondContact O-N 2.97Å; R620-A623 PolarHBondContact O-N 3.3Å; A623-G627 PolarHBondContact O-N 2.87Å
624I73.9Confident69Low123 Ų123102.3 Ų102.363%0.63156%0.562SS**Hα-helixtrans-66.3-41.8177-67.2164.6000110.3R620 F621 G627 F628R620-I624 WeakPolarHBondContact O-CB 3.33Å; R620-I624 WeakPolarHBondContact O-CD1 3.33Å; R620-I624 WeakPolarHBondContact O-CG1 3.39Å; R620-I624 PolarHBondContact O-N 3.37Å; F621-I624 PolarHBondContact O-N 3.03Å; I624-G627 PolarHBondContact O-N 3.15Å; I624-F628 PolarHBondContact O-N 3.38Å
625S76.2Confident71.2Confident66 Ų66100.5 Ų100.546%0.46255%0.552SS.*Hα-helixtrans-67.2-42178.773.60000112.3F621 A622 F628 M629F621-S625 WeakPolarHBondContact O-CB 3.24Å; F621-S625 PolarHBondContact O-N 3.35Å; F621-S625 PolarHBondContact O-OG 3.1Å; A622-S625 PolarHBondContact O-N 3.34Å; A622-S625 PolarHBondContact O-OG 3.08Å; S625-F628 PolarHBondContact O-N 2.8Å; S625-M629 WeakPolarHBondContact O-CG 3.22Å; S625-M629 PolarHBondContact O-N 3.22Å
626A77.6Confident73.2Confident53 Ų5396.2 Ų96.244%0.43853%0.529SS..Hα-helixtrans-64.3-41173.800000111.9A622 M629 T630A622-A626 WeakPolarHBondContact O-CB 3.41Å; A622-A626 PolarHBondContact O-N 3.01Å; A626-M629 PolarHBondContact O-N 2.63Å; A626-T630 WeakPolarHBondContact O-CB 3.38Å; A626-T630 VanDerWaalsContact O-CG2 3.26Å; A626-T630 WeakPolarHBondContact O-CG2 3.07Å; A626-T630 PolarHBondContact O-N 3.48Å; A626-T630 PolarHBondContact O-OG1 3.3Å
627G80Confident75Confident30 Ų3092.8 Ų92.831%0.30951%0.507SS..Hα-helixtrans-59.3-45.7172.900000112.3A623 I624 T630 C631A623-G627 PolarHBondContact O-N 2.87Å; I624-G627 PolarHBondContact O-N 3.15Å; G627-T630 WeakPolarHBondContact CA-OG1 3.23Å; G627-T630 PolarHBondContact O-OG1 3.19Å; G627-C631 WeakPolarHBondContact O-CB 3.18Å; G627-C631 PolarHBondContact O-N 3.47Å; G627-C631 PolarHBondContact O-SG 2.95Å
628F80.9Confident76.4Confident151 Ų15191 Ų9166%0.66250%0.496SS*.Hα-helixtrans-65-43.4177.7-171.3-95.4000112.4I624 S625 C631 A632I624-F628 PolarHBondContact O-N 3.38Å; S625-F628 PolarHBondContact O-N 2.8Å; F628-C631 PolarHBondContact O-N 3.11Å; F628-A632 VanDerWaalsContact O-CB 3.31Å; F628-A632 WeakPolarHBondContact O-CB 3.24Å; F628-A632 PolarHBondContact O-N 2.89Å
629M82.2Confident77.3Confident130 Ų13088.7 Ų88.764%0.6449%0.485SS*.Hα-helixtrans-66.4-39.4179.2-73.3-62.3-67.800112.5S625 A626 A632 S633S625-M629 WeakPolarHBondContact O-CG 3.22Å; S625-M629 PolarHBondContact O-N 3.22Å; A626-M629 PolarHBondContact O-N 2.63Å; M629-A632 PolarHBondContact O-N 2.88Å; M629-S633 VanDerWaalsContact O-CB 3.3Å; M629-S633 WeakPolarHBondContact O-CB 3.35Å; M629-S633 PolarHBondContact O-N 3.4Å
630T83Confident78.4Confident80 Ų8080.6 Ų80.649%0.49146%0.457SS..Hα-helixtrans-66.8-43.8174.951.70000111.4A626 G627 A632 S633 I634A626-T630 WeakPolarHBondContact O-CB 3.38Å; A626-T630 VanDerWaalsContact O-CG2 3.26Å; A626-T630 WeakPolarHBondContact O-CG2 3.07Å; A626-T630 PolarHBondContact O-N 3.48Å; A626-T630 PolarHBondContact O-OG1 3.3Å; G627-T630 WeakPolarHBondContact CA-OG1 3.23Å; G627-T630 PolarHBondContact O-OG1 3.19Å; T630-A632 PolarHBondContact O-N 2.95Å; T630-S633 PolarHBondContact O-N 2.93Å; T630-I634 VanDerWaalsContact O-CG1 3.28Å; T630-I634 WeakPolarHBondContact O-CG1 3.23Å; T630-I634 PolarHBondContact O-N 3.32Å
631C81.3Confident79.3Confident82 Ų8273.5 Ų73.555%0.55443%0.432SS*.Hα-helixtrans-62.2-43.2174.2-71.40000112.7G627 F628 S633 I634 F635G627-C631 WeakPolarHBondContact O-CB 3.18Å; G627-C631 PolarHBondContact O-N 3.47Å; G627-C631 PolarHBondContact O-SG 2.95Å; F628-C631 PolarHBondContact O-N 3.11Å; C631-S633 VanDerWaalsContact C-N 3.33Å; C631-S633 PolarHBondContact O-N 3.39Å; C631-I634 PolarHBondContact O-N 2.96Å; C631-F635 VanDerWaalsContact O-CB 3.32Å; C631-F635 WeakPolarHBondContact O-CB 3.46Å; C631-F635 PolarHBondContact O-N 3.41Å
632A80.1Confident79.9Confident48 Ų4871.1 Ų71.140%0.39742%0.423SS..Hα-helixtrans-64.2-38.7176.900000111.8F628 M629 T630 G636F628-A632 VanDerWaalsContact O-CB 3.31Å; F628-A632 WeakPolarHBondContact O-CB 3.24Å; F628-A632 PolarHBondContact O-N 2.89Å; M629-A632 PolarHBondContact O-N 2.88Å; T630-A632 PolarHBondContact O-N 2.95Å; A632-G636 PolarHBondContact O-N 3.41Å
633S83.8Confident80.4Confident71 Ų7170.6 Ų70.650%0.49742%0.419SS..Hα-helixtrans-64.2-49175-176.80000111.6M629 T630 C631 F635 G636 L637M629-S633 VanDerWaalsContact O-CB 3.3Å; M629-S633 WeakPolarHBondContact O-CB 3.35Å; M629-S633 PolarHBondContact O-N 3.4Å; T630-S633 PolarHBondContact O-N 2.93Å; C631-S633 VanDerWaalsContact C-N 3.33Å; C631-S633 PolarHBondContact O-N 3.39Å; S633-F635 VanDerWaalsContact C-N 3.32Å; S633-F635 PolarHBondContact O-N 2.98Å; S633-G636 PolarHBondContact O-N 2.86Å; S633-G636 VanDerWaalsContact O-N 3.14Å; S633-L637 WeakPolarHBondContact O-CG 3.3Å; S633-L637 PolarHBondContact O-N 2.92Å
634I84.9Confident80.3Confident82 Ų8275.8 Ų75.842%0.42143%0.433SS..Hα-helixtrans-60.1-43.3176.8-67.3165.2000110.9T630 C631 G636 L637 A638 F662T630-I634 VanDerWaalsContact O-CG1 3.28Å; T630-I634 WeakPolarHBondContact O-CG1 3.23Å; T630-I634 PolarHBondContact O-N 3.32Å; C631-I634 PolarHBondContact O-N 2.96Å; I634-G636 VanDerWaalsContact C-N 3.33Å; I634-G636 PolarHBondContact O-N 2.92Å; I634-L637 PolarHBondContact O-N 2.89Å; I634-A638 PolarHBondContact O-N 3.5Å; I634-F662 HydrophobicContact CG2-CZ 4.45Å
635F82.4Confident80.5Confident135 Ų13573.7 Ų73.759%0.59243%0.425SS*.Hα-helixtrans-64.4-38.3176.9-171.8-103000112.1C631 S633 A638 L639C631-F635 VanDerWaalsContact O-CB 3.32Å; C631-F635 WeakPolarHBondContact O-CB 3.46Å; C631-F635 PolarHBondContact O-N 3.41Å; S633-F635 VanDerWaalsContact C-N 3.32Å; S633-F635 PolarHBondContact O-N 2.98Å; F635-A638 PolarHBondContact O-N 3.41Å; F635-L639 HydrophobicContact CD1-CD1 3.92Å; F635-L639 HydrophobicContact CD1-CG 4.27Å; F635-L639 HydrophobicContact CE1-CD1 3.55Å; F635-L639 HydrophobicContact CE1-CD2 4.38Å; F635-L639 HydrophobicContact CE1-CG 3.96Å; F635-L639 HydrophobicContact CZ-CD1 4.28Å; F635-L639 HydrophobicContact CZ-CD2 4.3Å; F635-L639 HydrophobicContact CZ-CG 4.28Å; F635-L639 WeakPolarHBondContact O-CG 3.36Å; F635-L639 PolarHBondContact O-N 2.87Å
636G84.9Confident80.3Confident29 Ų2978.9 Ų78.930%0.29944%0.442SS..Hα-helixtrans-60.6-45.3172.400000112.8A632 S633 I634 A638 L639 I640A632-G636 PolarHBondContact O-N 3.41Å; S633-G636 PolarHBondContact O-N 2.86Å; S633-G636 VanDerWaalsContact O-N 3.14Å; I634-G636 VanDerWaalsContact C-N 3.33Å; I634-G636 PolarHBondContact O-N 2.92Å; G636-A638 PolarHBondContact O-N 3.5Å; G636-L639 PolarHBondContact O-N 2.91Å; G636-I640 WeakPolarHBondContact O-CG1 3.44Å; G636-I640 PolarHBondContact O-N 3.48Å; G636-I640 VanDerWaalsContact O-N 3.09Å
637L84.1Confident80.4Confident28 Ų2878.1 Ų78.115%0.14743%0.433CS..Hα-helixtrans-63.4-40.4176.4-62.4169.4000111.7S633 I634 I640 L641 W658 F659 F662S633-L637 WeakPolarHBondContact O-CG 3.3Å; S633-L637 PolarHBondContact O-N 2.92Å; I634-L637 PolarHBondContact O-N 2.89Å; L637-I640 PolarHBondContact O-N 3.3Å; L637-L641 PolarHBondContact O-N 2.92Å; L637-W658 HydrophobicContact CD1-CH2 3.88Å; L637-W658 HydrophobicContact CD2-CH2 4.15Å; L637-W658 HydrophobicContact CD2-CZ3 4.07Å; L637-F659 HydrophobicContact CB-CE2 4.26Å; L637-F659 HydrophobicContact CD2-CD2 3.99Å; L637-F659 HydrophobicContact CD2-CE2 3.51Å; L637-F659 HydrophobicContact CG-CE2 4.46Å; L637-F662 HydrophobicContact CB-CD1 4.32Å; L637-F662 HydrophobicContact CB-CE1 3.68Å; L637-F662 HydrophobicContact CB-CZ 4.02Å; L637-F662 HydrophobicContact CD1-CD1 4.42Å; L637-F662 HydrophobicContact CD1-CD2 4.38Å; L637-F662 HydrophobicContact CD1-CE1 4.15Å; L637-F662 HydrophobicContact CD1-CE2 4.1Å; L637-F662 HydrophobicContact CD1-CZ 3.98Å
638A82.7Confident80.3Confident19 Ų1981.7 Ų81.716%0.15745%0.451CS..Hα-helixtrans-62.3-43.2174.900000112.5I634 F635 G636 I640 L641 E642 Y667I634-A638 PolarHBondContact O-N 3.5Å; F635-A638 PolarHBondContact O-N 3.41Å; G636-A638 PolarHBondContact O-N 3.5Å; A638-I640 VanDerWaalsContact C-N 3.3Å; A638-I640 PolarHBondContact O-N 2.97Å; A638-L641 PolarHBondContact O-N 3.14Å; A638-L641 VanDerWaalsContact O-N 3.14Å; A638-E642 PolarHBondContact O-N 3.21Å; A638-Y667 HydrophobicContact CB-CD2 4.07Å; A638-Y667 HydrophobicContact CB-CE2 3.46Å; A638-Y667 VanDerWaalsContact CB-CE2 3.46Å
639L81.2Confident80.3Confident95 Ų9580.1 Ų80.150%0.49745%0.448SS..Hα-helixtrans-62.7-37.1175.4-75178.6000112.1F635 G636 L641 E642 A643F635-L639 HydrophobicContact CD1-CD1 3.92Å; F635-L639 HydrophobicContact CD1-CG 4.27Å; F635-L639 HydrophobicContact CE1-CD1 3.55Å; F635-L639 HydrophobicContact CE1-CD2 4.38Å; F635-L639 HydrophobicContact CE1-CG 3.96Å; F635-L639 HydrophobicContact CZ-CD1 4.28Å; F635-L639 HydrophobicContact CZ-CD2 4.3Å; F635-L639 HydrophobicContact CZ-CG 4.28Å; F635-L639 WeakPolarHBondContact O-CG 3.36Å; F635-L639 PolarHBondContact O-N 2.87Å; G636-L639 PolarHBondContact O-N 2.91Å; L639-L641 VanDerWaalsContact C-N 3.26Å; L639-L641 PolarHBondContact O-N 2.88Å; L639-E642 PolarHBondContact O-N 3.25Å; L639-A643 WeakPolarHBondContact O-CB 3.2Å; L639-A643 PolarHBondContact O-N 3.14Å
640I82Confident80.1Confident42 Ų4275.8 Ų75.822%0.21543%0.427CS..Hα-helixtrans-63.3-33.8175.4-68.3165.1000111.2G636 L637 A638 M650 I653 R654 F659G636-I640 WeakPolarHBondContact O-CG1 3.44Å; G636-I640 PolarHBondContact O-N 3.48Å; G636-I640 VanDerWaalsContact O-N 3.09Å; L637-I640 PolarHBondContact O-N 3.3Å; A638-I640 VanDerWaalsContact C-N 3.3Å; A638-I640 PolarHBondContact O-N 2.97Å; I640-M650 HydrophobicContact CB-CE 4.41Å; I640-M650 HydrophobicContact CG1-CE 4.08Å; I640-M650 HydrophobicContact CG1-SD 4.43Å; I640-M650 HydrophobicContact CG2-CE 4.23Å; I640-M650 HydrophobicContact CG2-SD 3.76Å; I640-I653 HydrophobicContact CG2-CG2 4.21Å; I640-R654 PolarHBondContact O-NE 2.96Å; I640-R654 PolarHBondContact O-NH2 3.43Å; I640-F659 HydrophobicContact CB-CZ 3.94Å; I640-F659 HydrophobicContact CG2-CE1 4.14Å; I640-F659 HydrophobicContact CG2-CE2 4.19Å; I640-F659 HydrophobicContact CG2-CZ 3.51Å
641L78.4Confident80Confident35 Ų3575 Ų7518%0.18343%0.428CS..Hα-helixtrans-74.5-39.9176.8-75.3163.8000112.8L637 A638 L639 F659 F662 D663 Y667L637-L641 PolarHBondContact O-N 2.92Å; A638-L641 PolarHBondContact O-N 3.14Å; A638-L641 VanDerWaalsContact O-N 3.14Å; L639-L641 VanDerWaalsContact C-N 3.26Å; L639-L641 PolarHBondContact O-N 2.88Å; L641-F659 HydrophobicContact CD1-CE1 4.25Å; L641-F659 HydrophobicContact CD1-CZ 4.3Å; L641-F659 HydrophobicContact CD2-CD1 4.32Å; L641-F659 HydrophobicContact CD2-CE1 3.48Å; L641-F659 VanDerWaalsContact CD2-CE1 3.48Å; L641-F659 HydrophobicContact CD2-CZ 4.18Å; L641-F659 HydrophobicContact CG-CE1 3.63Å; L641-F659 HydrophobicContact CG-CZ 3.8Å; L641-F662 HydrophobicContact CD1-CD1 4.34Å; L641-F662 HydrophobicContact CD1-CE1 4.25Å; L641-D663 HydrophobicContact CD1-CB 4.17Å; L641-D663 HydrophobicContact CD2-CB 4.14Å; L641-Y667 HydrophobicContact CB-CD1 4.24Å; L641-Y667 HydrophobicContact CB-CE1 3.91Å; L641-Y667 HydrophobicContact CD1-CD1 3.43Å; L641-Y667 VanDerWaalsContact CD1-CD1 3.43Å; L641-Y667 HydrophobicContact CD1-CD2 4.15Å; L641-Y667 HydrophobicContact CD1-CE1 3.97Å; L641-Y667 HydrophobicContact CD1-CG 3.52Å; L641-Y667 HydrophobicContact CG-CD1 4.37Å
642E79.4Confident80Confident88 Ų8876.1 Ų76.141%0.41143%0.433SS..Hα-helixtrans-83.6-24.3-180-65.1-64.6155.900114.3A638 L639 E644 Y667 R671A638-E642 PolarHBondContact O-N 3.21Å; L639-E642 PolarHBondContact O-N 3.25Å; E642-E644 PolarHBondContact O-N 2.94Å; E642-E644 VanDerWaalsContact O-N 3.1Å; E642-Y667 VanDerWaalsContact CD-OH 3.3Å; E642-Y667 WeakPolarHBondContact CG-OH 3.4Å; E642-Y667 PolarHBondContact OE1-OH 2.95Å; E642-R671 IonicContact OE1-CZ 3.97Å; E642-R671 IonicContact OE1-NE 2.9Å; E642-R671 PolarHBondContact OE1-NE 3.45Å; E642-R671 IonicContact OE1-NH1 2.78Å; E642-R671 PolarHBondContact OE1-NH1 3.1Å; E642-R671 IonicContact OE1-NH2 3.24Å; E642-R671 IonicContact OE2-CZ 3.43Å; E642-R671 IonicContact OE2-NH1 3.89Å; E642-R671 PolarHBondContact OE2-NH1 3.24Å; E642-R671 IonicContact OE2-NH2 2.84Å
643A77.2Confident80.1Confident34 Ų3477 Ų7728%0.28143%0.43SS..  trans-70.8108.8-17600000110.4L639 V645 R654L639-A643 WeakPolarHBondContact O-CB 3.2Å; L639-A643 PolarHBondContact O-N 3.14Å; A643-V645 HydrophobicContact CB-CG2 4.18Å; A643-V645 PolarHBondContact O-N 3.4Å; A643-R654 PolarHBondContact O-NH2 3.35Å
644E70.9Confident79.9Confident171 Ų17177 Ų7780%0.79942%0.419SS*.  trans-73.842.1-179-150.6166.2-160.200113.4E642 H646E642-E644 PolarHBondContact O-N 2.94Å; E642-E644 VanDerWaalsContact O-N 3.1Å; E644-H646 PolarHBondContact O-N 3.42Å; E644-H646 PolarHBondContact O-ND1 2.92Å
645V76.2Confident79.8Confident78 Ų7875.4 Ų75.447%0.47342%0.422SS..  trans-87.2109.4-179.9-177.90000109A643 S647A643-V645 HydrophobicContact CB-CG2 4.18Å; A643-V645 PolarHBondContact O-N 3.4Å; V645-S647 PolarHBondContact O-N 3.02Å
646H73.8Confident80Confident175 Ų17574.2 Ų74.281%0.8142%0.419SS*.  trans-79.765.2175.5-69.669000110.6E644E644-H646 PolarHBondContact O-N 3.42Å; E644-H646 PolarHBondContact O-ND1 2.92Å
647S79.2Confident79.9Confident37 Ų3777.5 Ų77.526%0.25944%0.435SS..  trans-102.3138.8173.3169.90000110.3V645 I649 M650 A651V645-S647 PolarHBondContact O-N 3.02Å; S647-I649 PolarHBondContact O-N 3.37Å; S647-I649 PolarHBondContact OG-N 3.29Å; S647-M650 WeakPolarHBondContact O-CB 3.2Å; S647-M650 PolarHBondContact O-N 3.09Å; S647-A651 PolarHBondContact O-N 2.99Å
648P78Confident80.1Confident105 Ų10583.3 Ų83.368%0.68246%0.455SS*.Hα-helixtrans-57.8-34.1176.320.7-30.8000112.5A651 T652P648-A651 PolarHBondContact O-N 3.48Å; P648-T652 PolarHBondContact O-N 3.24Å; P648-T652 VanDerWaalsContact O-N 3.09Å; P648-T652 PolarHBondContact O-OG1 2.82Å; P648-T652 VanDerWaalsContact O-OG1 3.05Å
649I80Confident80.2Confident118 Ų11882.7 Ų82.761%0.60545%0.448SS*.Hα-helixtrans-65.3-42.6175.4-63.1172000110.8S647 A651 T652 I653S647-I649 PolarHBondContact O-N 3.37Å; S647-I649 PolarHBondContact OG-N 3.29Å; I649-A651 VanDerWaalsContact C-N 3.32Å; I649-A651 PolarHBondContact O-N 3.33Å; I649-T652 PolarHBondContact O-N 2.91Å; I649-I653 HydrophobicContact CG2-CD1 3.96Å; I649-I653 WeakPolarHBondContact O-CG1 3.47Å; I649-I653 PolarHBondContact O-N 2.82Å
650M79.1Confident80.4Confident40 Ų4082.4 Ų82.420%0.19745%0.447CS..Hα-helixtrans-64.9-37.2176.9-80.9-63.1-149.400111.9I640 S647 I653 R654I640-M650 HydrophobicContact CB-CE 4.41Å; I640-M650 HydrophobicContact CG1-CE 4.08Å; I640-M650 HydrophobicContact CG1-SD 4.43Å; I640-M650 HydrophobicContact CG2-CE 4.23Å; I640-M650 HydrophobicContact CG2-SD 3.76Å; S647-M650 WeakPolarHBondContact O-CB 3.2Å; S647-M650 PolarHBondContact O-N 3.09Å; M650-I653 PolarHBondContact O-N 3.43Å; M650-R654 WeakPolarHBondContact O-CB 3.23Å; M650-R654 WeakPolarHBondContact O-CG 3.44Å; M650-R654 PolarHBondContact O-N 2.85Å
651A79.7Confident80.5Confident63 Ų6383.2 Ų83.252%0.52145%0.452SS..Hα-helixtrans-62.2-43.317500000111.5S647 P648 I649 R654 G655S647-A651 PolarHBondContact O-N 2.99Å; P648-A651 PolarHBondContact O-N 3.48Å; I649-A651 VanDerWaalsContact C-N 3.32Å; I649-A651 PolarHBondContact O-N 3.33Å; A651-R654 PolarHBondContact O-N 3.41Å; A651-G655 PolarHBondContact O-N 3.42Å
652T82.2Confident80.9Confident105 Ų10582.7 Ų82.764%0.64445%0.448SS*.Hα-helixtrans-62.8-43.2175.7-51.40000112.2P648 I649 G655 H656P648-T652 PolarHBondContact O-N 3.24Å; P648-T652 VanDerWaalsContact O-N 3.09Å; P648-T652 PolarHBondContact O-OG1 2.82Å; P648-T652 VanDerWaalsContact O-OG1 3.05Å; I649-T652 PolarHBondContact O-N 2.91Å; T652-G655 PolarHBondContact O-N 3.49Å; T652-H656 PolarHBondContact O-N 2.83Å
653I82.7Confident81.2Confident66 Ų6679.4 Ų79.434%0.33843%0.433SS..Hα-helixtrans-64.5-45.1178.1-66.9167.7000110.8I640 I649 M650 G655 H656 F659I640-I653 HydrophobicContact CG2-CG2 4.21Å; I649-I653 HydrophobicContact CG2-CD1 3.96Å; I649-I653 WeakPolarHBondContact O-CG1 3.47Å; I649-I653 PolarHBondContact O-N 2.82Å; M650-I653 PolarHBondContact O-N 3.43Å; I653-G655 VanDerWaalsContact C-N 3.29Å; I653-G655 PolarHBondContact O-N 2.84Å; I653-H656 WeakPolarHBondContact O-CB 3.31Å; I653-H656 PolarHBondContact O-N 2.74Å; I653-F659 HydrophobicContact CG2-CD2 4.29Å; I653-F659 HydrophobicContact CG2-CE2 4.31Å; I653-F659 WeakPolarHBondContact O-CB 3.26Å
654R78.9Confident81.6Confident73 Ų7380.9 Ų80.928%0.27544%0.442SS..Hα-helixtrans-64.8-31.7177.4-74.8178179163.7-1.5113.2I640 A643 M650 A651 H656 F659 L660I640-R654 PolarHBondContact O-NE 2.96Å; I640-R654 PolarHBondContact O-NH2 3.43Å; A643-R654 PolarHBondContact O-NH2 3.35Å; M650-R654 WeakPolarHBondContact O-CB 3.23Å; M650-R654 WeakPolarHBondContact O-CG 3.44Å; M650-R654 PolarHBondContact O-N 2.85Å; A651-R654 PolarHBondContact O-N 3.41Å; R654-H656 VanDerWaalsContact C-N 3.31Å; R654-F659 HydrophobicContact CG-CE1 4.21Å; R654-L660 VanDerWaalsContact O-CD2 3.24Å; R654-L660 WeakPolarHBondContact O-CD2 3.28Å; R654-L660 WeakPolarHBondContact O-CG 3.3Å
655G82Confident82.1Confident47 Ų4780.4 Ų80.449%0.48543%0.433SS..THydrogen-bonded Turntrans-79.2-8.8177.100000114.6A651 T652 I653A651-G655 PolarHBondContact O-N 3.42Å; T652-G655 PolarHBondContact O-N 3.49Å; I653-G655 VanDerWaalsContact C-N 3.29Å; I653-G655 PolarHBondContact O-N 2.84Å
656H86.8Confident82.6Confident111 Ų11182.8 Ų82.851%0.51444%0.437SS..SBendtrans-67.1131.5-177.7-166.7-84.9000110.7T652 I653 R654 W658 F659 L660T652-H656 PolarHBondContact O-N 2.83Å; I653-H656 WeakPolarHBondContact O-CB 3.31Å; I653-H656 PolarHBondContact O-N 2.74Å; R654-H656 VanDerWaalsContact C-N 3.31Å; H656-W658 VanDerWaalsContact C-N 3.28Å; H656-W658 PolarHBondContact ND1-N 2.92Å; H656-W658 PolarHBondContact O-N 3.21Å; H656-W658 VanDerWaalsContact O-N 3.14Å; H656-F659 HydrophobicContact CB-CB 4.29Å; H656-F659 WeakPolarHBondContact O-CB 3.43Å; H656-F659 PolarHBondContact O-N 2.86Å; H656-L660 PolarHBondContact O-N 3.28Å; H656-L660 VanDerWaalsContact O-N 3.12Å
657P83.7Confident83.2Confident98 Ų9875.8 Ų75.864%0.63640%0.404SS*.Hα-helixtrans-53.1-41.7-173.7-2934.2000114.3F659 L660 D661P657-F659 VanDerWaalsContact C-N 3.34Å; P657-F659 PolarHBondContact O-N 2.57Å; P657-L660 PolarHBondContact O-N 3.42Å; P657-D661 PolarHBondContact O-N 3.42Å
658W87.5Confident83.4Confident150 Ų15081.3 Ų81.357%0.56842%0.419SS*.Hα-helixtrans-63.5-36.3176.4175.483.7000113.3L637 H656 D661 F662L637-W658 HydrophobicContact CD1-CH2 3.88Å; L637-W658 HydrophobicContact CD2-CH2 4.15Å; L637-W658 HydrophobicContact CD2-CZ3 4.07Å; H656-W658 VanDerWaalsContact C-N 3.28Å; H656-W658 PolarHBondContact ND1-N 2.92Å; H656-W658 PolarHBondContact O-N 3.21Å; H656-W658 VanDerWaalsContact O-N 3.14Å; W658-D661 PolarHBondContact O-N 2.79Å; W658-F662 PolarHBondContact O-N 2.85Å
659F86Confident83.8Confident5 Ų579.5 Ų79.52%0.02241%0.407CS..Hα-helixtrans-74.6-35.7-178.4-163.3-94000111.3L637 I640 L641 I653 R654 H656 P657 F662 D663L637-F659 HydrophobicContact CB-CE2 4.26Å; L637-F659 HydrophobicContact CD2-CD2 3.99Å; L637-F659 HydrophobicContact CD2-CE2 3.51Å; L637-F659 HydrophobicContact CG-CE2 4.46Å; I640-F659 HydrophobicContact CB-CZ 3.94Å; I640-F659 HydrophobicContact CG2-CE1 4.14Å; I640-F659 HydrophobicContact CG2-CE2 4.19Å; I640-F659 HydrophobicContact CG2-CZ 3.51Å; L641-F659 HydrophobicContact CD1-CE1 4.25Å; L641-F659 HydrophobicContact CD1-CZ 4.3Å; L641-F659 HydrophobicContact CD2-CD1 4.32Å; L641-F659 HydrophobicContact CD2-CE1 3.48Å; L641-F659 VanDerWaalsContact CD2-CE1 3.48Å; L641-F659 HydrophobicContact CD2-CZ 4.18Å; L641-F659 HydrophobicContact CG-CE1 3.63Å; L641-F659 HydrophobicContact CG-CZ 3.8Å; I653-F659 HydrophobicContact CG2-CD2 4.29Å; I653-F659 HydrophobicContact CG2-CE2 4.31Å; I653-F659 WeakPolarHBondContact O-CB 3.26Å; R654-F659 HydrophobicContact CG-CE1 4.21Å; H656-F659 HydrophobicContact CB-CB 4.29Å; H656-F659 WeakPolarHBondContact O-CB 3.43Å; H656-F659 PolarHBondContact O-N 2.86Å; P657-F659 VanDerWaalsContact C-N 3.34Å; P657-F659 PolarHBondContact O-N 2.57Å; F659-F662 PolarHBondContact O-N 3.3Å; F659-D663 PolarHBondContact O-N 3.12Å
660L83.9Confident84Confident90 Ų9079 Ų7947%0.47140%0.403SS..Hα-helixtrans-65-37.9170.7-66.3172.7000112.1R654 H656 P657 D663 S664R654-L660 VanDerWaalsContact O-CD2 3.24Å; R654-L660 WeakPolarHBondContact O-CD2 3.28Å; R654-L660 WeakPolarHBondContact O-CG 3.3Å; H656-L660 PolarHBondContact O-N 3.28Å; H656-L660 VanDerWaalsContact O-N 3.12Å; P657-L660 PolarHBondContact O-N 3.42Å; L660-D663 PolarHBondContact O-N 3.28Å; L660-S664 WeakPolarHBondContact O-CB 3.39Å; L660-S664 PolarHBondContact O-N 3.05Å; L660-S664 PolarHBondContact O-OG 2.99Å
661D85.5Confident84.2Confident59 Ų5982.6 Ų82.632%0.31642%0.415SS..Hα-helixtrans-65.5-41.5173.2-165.564.9000111.3P657 W658 S664 R665P657-D661 PolarHBondContact O-N 3.42Å; W658-D661 PolarHBondContact O-N 2.79Å; D661-S664 PolarHBondContact O-N 3.44Å; D661-S664 PolarHBondContact O-OG 3.49Å; D661-S664 VanDerWaalsContact O-OG 3.13Å; D661-R665 VanDerWaalsContact CG-NE 3.26Å; D661-R665 VanDerWaalsContact O-CB 3.29Å; D661-R665 WeakPolarHBondContact O-CB 3.36Å; D661-R665 WeakPolarHBondContact O-CG 3.45Å; D661-R665 PolarHBondContact O-N 2.85Å; D661-R665 IonicContact OD1-CZ 3.34Å; D661-R665 VanDerWaalsContact OD1-CZ 3.3Å; D661-R665 IonicContact OD1-NE 2.8Å; D661-R665 PolarHBondContact OD1-NE 3.17Å; D661-R665 IonicContact OD1-NH2 2.97Å; D661-R665 PolarHBondContact OD1-NH2 2.81Å; D661-R665 VanDerWaalsContact OD1-NH2 3.12Å; D661-R665 WeakPolarHBondContact OD2-CD 3.46Å; D661-R665 IonicContact OD2-CZ 2.92Å; D661-R665 IonicContact OD2-NE 3.51Å; D661-R665 PolarHBondContact OD2-NE 2.89Å; D661-R665 VanDerWaalsContact OD2-NE 3.14Å; D661-R665 IonicContact OD2-NH2 2.57Å
662F87.1Confident84.3Confident24 Ų2483.5 Ų83.511%0.10542%0.417CS..Hα-helixtrans-61.9-46.1172.9174.2-96.4000112.9I634 L637 L641 W658 F659 S664 F666 Y667I634-F662 HydrophobicContact CG2-CZ 4.45Å; L637-F662 HydrophobicContact CB-CD1 4.32Å; L637-F662 HydrophobicContact CB-CE1 3.68Å; L637-F662 HydrophobicContact CB-CZ 4.02Å; L637-F662 HydrophobicContact CD1-CD1 4.42Å; L637-F662 HydrophobicContact CD1-CD2 4.38Å; L637-F662 HydrophobicContact CD1-CE1 4.15Å; L637-F662 HydrophobicContact CD1-CE2 4.1Å; L637-F662 HydrophobicContact CD1-CZ 3.98Å; L641-F662 HydrophobicContact CD1-CD1 4.34Å; L641-F662 HydrophobicContact CD1-CE1 4.25Å; W658-F662 PolarHBondContact O-N 2.85Å; F659-F662 PolarHBondContact O-N 3.3Å; F662-S664 PolarHBondContact O-N 3.34Å; F662-F666 HydrophobicContact CD2-CB 4.19Å; F662-F666 AromaticContact CD2-CD2 3.98Å; F662-F666 HydrophobicContact CD2-CD2 3.98Å; F662-F666 HydrophobicContact CD2-CG 4.46Å; F662-F666 HydrophobicContact CE2-CB 4.11Å; F662-F666 PolarHBondContact O-N 3.37Å; F662-Y667 PolarHBondContact O-N 3.45Å; F662-Y667 VanDerWaalsContact O-N 3.1Å
663D85.7Confident84.3Confident18 Ų1881.6 Ų81.610%0.09641%0.412CS..Iπ-helixtrans-58-49.3177.9-17940000110.9L641 F659 L660 Y667 R668L641-D663 HydrophobicContact CD1-CB 4.17Å; L641-D663 HydrophobicContact CD2-CB 4.14Å; F659-D663 PolarHBondContact O-N 3.12Å; L660-D663 PolarHBondContact O-N 3.28Å; D663-Y667 PolarHBondContact O-N 2.82Å; D663-Y667 WeakPolarHBondContact OD1-CD1 3.42Å; D663-R668 WeakPolarHBondContact O-CG 3.39Å; D663-R668 PolarHBondContact O-N 2.96Å; D663-R668 IonicContact OD1-NE 3.78Å; D663-R668 IonicContact OD2-CZ 3.19Å; D663-R668 VanDerWaalsContact OD2-CZ 3.31Å; D663-R668 IonicContact OD2-NE 3.85Å; D663-R668 PolarHBondContact OD2-NE 3.24Å; D663-R668 IonicContact OD2-NH2 2.74Å; D663-R668 PolarHBondContact OD2-NH2 2.8Å
664S85.5Confident84.2Confident66 Ų6682.9 Ų82.946%0.46242%0.419SS..Iπ-helixtrans-72.2-41.4-176.559.50000113.9L660 D661 F662L660-S664 WeakPolarHBondContact O-CB 3.39Å; L660-S664 PolarHBondContact O-N 3.05Å; L660-S664 PolarHBondContact O-OG 2.99Å; D661-S664 PolarHBondContact O-N 3.44Å; D661-S664 PolarHBondContact O-OG 3.49Å; D661-S664 VanDerWaalsContact O-OG 3.13Å; F662-S664 PolarHBondContact O-N 3.34Å
665R81.5Confident84.3Confident160 Ų16084.5 Ų84.560%0.60443%0.433SS*.Iπ-helixtrans-83.4-37.2-175.3-67.9-171.2-169.2-155.28.4114.3D661D661-R665 VanDerWaalsContact CG-NE 3.26Å; D661-R665 VanDerWaalsContact O-CB 3.29Å; D661-R665 WeakPolarHBondContact O-CB 3.36Å; D661-R665 WeakPolarHBondContact O-CG 3.45Å; D661-R665 PolarHBondContact O-N 2.85Å; D661-R665 IonicContact OD1-CZ 3.34Å; D661-R665 VanDerWaalsContact OD1-CZ 3.3Å; D661-R665 IonicContact OD1-NE 2.8Å; D661-R665 PolarHBondContact OD1-NE 3.17Å; D661-R665 IonicContact OD1-NH2 2.97Å; D661-R665 PolarHBondContact OD1-NH2 2.81Å; D661-R665 VanDerWaalsContact OD1-NH2 3.12Å; D661-R665 WeakPolarHBondContact OD2-CD 3.46Å; D661-R665 IonicContact OD2-CZ 2.92Å; D661-R665 IonicContact OD2-NE 3.51Å; D661-R665 PolarHBondContact OD2-NE 2.89Å; D661-R665 VanDerWaalsContact OD2-NE 3.14Å; D661-R665 IonicContact OD2-NH2 2.57Å
666F85.6Confident83.8Confident128 Ų12884.1 Ų84.156%0.56143%0.429SS*.Iπ-helixtrans-118.1-50.6-169-58.3-76.1000112F662 M670F662-F666 HydrophobicContact CD2-CB 4.19Å; F662-F666 AromaticContact CD2-CD2 3.98Å; F662-F666 HydrophobicContact CD2-CD2 3.98Å; F662-F666 HydrophobicContact CD2-CG 4.46Å; F662-F666 HydrophobicContact CE2-CB 4.11Å; F662-F666 PolarHBondContact O-N 3.37Å; F666-M670 WeakPolarHBondContact O-CB 3.41Å; F666-M670 PolarHBondContact O-N 3.46Å; F666-M670 VanDerWaalsContact O-N 3.13Å
667Y86.1Confident83.1Confident29 Ų2986.6 Ų86.611%0.11444%0.438CS..Iπ-helixtrans-69.5-53.2-171-172.3-108.7000113.1A638 L641 E642 F662 D663 M670 R671A638-Y667 HydrophobicContact CB-CD2 4.07Å; A638-Y667 HydrophobicContact CB-CE2 3.46Å; A638-Y667 VanDerWaalsContact CB-CE2 3.46Å; L641-Y667 HydrophobicContact CB-CD1 4.24Å; L641-Y667 HydrophobicContact CB-CE1 3.91Å; L641-Y667 HydrophobicContact CD1-CD1 3.43Å; L641-Y667 VanDerWaalsContact CD1-CD1 3.43Å; L641-Y667 HydrophobicContact CD1-CD2 4.15Å; L641-Y667 HydrophobicContact CD1-CE1 3.97Å; L641-Y667 HydrophobicContact CD1-CG 3.52Å; L641-Y667 HydrophobicContact CG-CD1 4.37Å; E642-Y667 VanDerWaalsContact CD-OH 3.3Å; E642-Y667 WeakPolarHBondContact CG-OH 3.4Å; E642-Y667 PolarHBondContact OE1-OH 2.95Å; F662-Y667 PolarHBondContact O-N 3.45Å; F662-Y667 VanDerWaalsContact O-N 3.1Å; D663-Y667 PolarHBondContact O-N 2.82Å; D663-Y667 WeakPolarHBondContact OD1-CD1 3.42Å; Y667-M670 PolarHBondContact O-N 2.86Å; Y667-R671 VanDerWaalsContact O-CB 3.29Å; Y667-R671 WeakPolarHBondContact O-CB 3.28Å; Y667-R671 PolarHBondContact O-N 2.86Å
668R85Confident81.9Confident152 Ų15291.9 Ų91.957%0.57445%0.446SS*.Hα-helixtrans-61.1-48.2-179-69.3179.8-170-163.13.1112.7D663 M670 R671 S672D663-R668 WeakPolarHBondContact O-CG 3.39Å; D663-R668 PolarHBondContact O-N 2.96Å; D663-R668 IonicContact OD1-NE 3.78Å; D663-R668 IonicContact OD2-CZ 3.19Å; D663-R668 VanDerWaalsContact OD2-CZ 3.31Å; D663-R668 IonicContact OD2-NE 3.85Å; D663-R668 PolarHBondContact OD2-NE 3.24Å; D663-R668 IonicContact OD2-NH2 2.74Å; D663-R668 PolarHBondContact OD2-NH2 2.8Å; R668-M670 VanDerWaalsContact C-N 3.34Å; R668-M670 PolarHBondContact O-N 2.89Å; R668-R671 PolarHBondContact O-N 3.35Å; R668-S672 WeakPolarHBondContact O-CB 3.28Å; R668-S672 PolarHBondContact O-N 3.03Å; R668-S672 PolarHBondContact O-OG 3.41Å; R668-S672 VanDerWaalsContact O-OG 3.11Å
669P84.7Confident80.8Confident68 Ų6895.9 Ų95.944%0.44246%0.461SS..Hα-helixtrans-60.8-42176.8-25.136.8000112.6S672 A673P669-S672 PolarHBondContact O-N 2.96Å; P669-A673 VanDerWaalsContact O-CB 3.31Å; P669-A673 WeakPolarHBondContact O-CB 3.43Å; P669-A673 PolarHBondContact O-N 3.05Å
670M84.5Confident79.1Confident106 Ų106109 Ų10952%0.52251%0.51SS..Hα-helixtrans-64-45.1176.7178.3-176.9157.500111.9F666 Y667 R668 A673 L674F666-M670 WeakPolarHBondContact O-CB 3.41Å; F666-M670 PolarHBondContact O-N 3.46Å; F666-M670 VanDerWaalsContact O-N 3.13Å; Y667-M670 PolarHBondContact O-N 2.86Å; R668-M670 VanDerWaalsContact C-N 3.34Å; R668-M670 PolarHBondContact O-N 2.89Å; M670-A673 PolarHBondContact O-N 3.23Å; M670-L674 HydrophobicContact CE-CD1 3.74Å; M670-L674 HydrophobicContact CG-CD1 4.05Å; M670-L674 WeakPolarHBondContact O-CB 3.4Å; M670-L674 WeakPolarHBondContact O-CG 3.26Å; M670-L674 PolarHBondContact O-N 2.93Å
671R83.5Confident78.9Confident116 Ų116110 Ų11044%0.43851%0.512SS..Hα-helixtrans-60.6-45.2176.2-179.8177171.8175-1.8110.8E642 Y667 R668 L674 L675E642-R671 IonicContact OE1-CZ 3.97Å; E642-R671 IonicContact OE1-NE 2.9Å; E642-R671 PolarHBondContact OE1-NE 3.45Å; E642-R671 IonicContact OE1-NH1 2.78Å; E642-R671 PolarHBondContact OE1-NH1 3.1Å; E642-R671 IonicContact OE1-NH2 3.24Å; E642-R671 IonicContact OE2-CZ 3.43Å; E642-R671 IonicContact OE2-NH1 3.89Å; E642-R671 PolarHBondContact OE2-NH1 3.24Å; E642-R671 IonicContact OE2-NH2 2.84Å; Y667-R671 VanDerWaalsContact O-CB 3.29Å; Y667-R671 WeakPolarHBondContact O-CB 3.28Å; Y667-R671 PolarHBondContact O-N 2.86Å; R668-R671 PolarHBondContact O-N 3.35Å; R671-L674 PolarHBondContact O-N 3.04Å; R671-L675 HydrophobicContact CG-CD1 3.99Å; R671-L675 WeakPolarHBondContact O-CB 3.44Å; R671-L675 VanDerWaalsContact O-CG 3.28Å; R671-L675 WeakPolarHBondContact O-CG 3.36Å; R671-L675 PolarHBondContact O-N 3.4Å
672S82.7Confident78.5Confident82 Ų82112.6 Ų112.657%0.57352%0.522SS*.Hα-helixtrans-64.2-39.6175.8-66.50000112.5R668 P669 G676R668-S672 WeakPolarHBondContact O-CB 3.28Å; R668-S672 PolarHBondContact O-N 3.03Å; R668-S672 PolarHBondContact O-OG 3.41Å; R668-S672 VanDerWaalsContact O-OG 3.11Å; P669-S672 PolarHBondContact O-N 2.96Å; S672-G676 WeakPolarHBondContact O-CA 3.33Å; S672-G676 PolarHBondContact O-N 3.05Å
673A82.7Confident78Confident65 Ų65117.6 Ų117.654%0.53755%0.546SS..Hα-helixtrans-67.3-42.7176.600000112P669 M670 G676 F677P669-A673 VanDerWaalsContact O-CB 3.31Å; P669-A673 WeakPolarHBondContact O-CB 3.43Å; P669-A673 PolarHBondContact O-N 3.05Å; M670-A673 PolarHBondContact O-N 3.23Å; A673-G676 PolarHBondContact O-N 3.41Å; A673-F677 VanDerWaalsContact O-CB 3.31Å; A673-F677 WeakPolarHBondContact O-CB 3.36Å; A673-F677 PolarHBondContact O-N 3.09Å
674L80.3Confident77.6Confident93 Ų93123.4 Ų123.449%0.48757%0.572SS.*Hα-helixtrans-64.1-44.5175.9-80.6166.8000111.8M670 R671 F677 W678M670-L674 HydrophobicContact CE-CD1 3.74Å; M670-L674 HydrophobicContact CG-CD1 4.05Å; M670-L674 WeakPolarHBondContact O-CB 3.4Å; M670-L674 WeakPolarHBondContact O-CG 3.26Å; M670-L674 PolarHBondContact O-N 2.93Å; R671-L674 PolarHBondContact O-N 3.04Å; L674-F677 PolarHBondContact O-N 2.98Å; L674-W678 WeakPolarHBondContact O-CB 3.37Å; L674-W678 PolarHBondContact O-N 3.03Å
675L80.4Confident77.1Confident107 Ų107127 Ų12756%0.5658%0.579SS**Hα-helixtrans-68.1-36.5175.7-70.4172.1000112R671 W678 R679R671-L675 HydrophobicContact CG-CD1 3.99Å; R671-L675 WeakPolarHBondContact O-CB 3.44Å; R671-L675 VanDerWaalsContact O-CG 3.28Å; R671-L675 WeakPolarHBondContact O-CG 3.36Å; R671-L675 PolarHBondContact O-N 3.4Å; L675-W678 PolarHBondContact O-N 3.48Å; L675-R679 WeakPolarHBondContact O-CB 3.41Å; L675-R679 PolarHBondContact O-N 3.46Å; L675-R679 VanDerWaalsContact O-N 3.07Å
676G70.7Confident76.8Confident39 Ų39124.8 Ų124.840%0.40258%0.577SS.*Hα-helixtrans-66.8-40.4175.500000112.8S672 A673 R679 R680S672-G676 WeakPolarHBondContact O-CA 3.33Å; S672-G676 PolarHBondContact O-N 3.05Å; A673-G676 PolarHBondContact O-N 3.41Å; G676-R679 PolarHBondContact O-N 3.19Å; G676-R680 PolarHBondContact O-N 3.1Å
677F72.8Confident76.2Confident163 Ų163124.6 Ų124.672%0.71558%0.578SS**Hα-helixtrans-70.2-30.7173.5-174.8-94.6000112.5A673 L674 R679A673-F677 VanDerWaalsContact O-CB 3.31Å; A673-F677 WeakPolarHBondContact O-CB 3.36Å; A673-F677 PolarHBondContact O-N 3.09Å; L674-F677 PolarHBondContact O-N 2.98Å; F677-R679 VanDerWaalsContact C-N 3.32Å
678W58Low75.4Confident209 Ų209131.9 Ų131.979%0.79261%0.614SS**Hα-helixtrans-75.1-19.6173.7-109.279.7000114.1L674 L675L674-W678 WeakPolarHBondContact O-CB 3.37Å; L674-W678 PolarHBondContact O-N 3.03Å; L675-W678 PolarHBondContact O-N 3.48Å
679R64Low74.6Confident235 Ų235130.3 Ų130.389%0.88762%0.618SS**Hα-helixtrans-92.1-23.2179.6-154-177.1-153.1-167.36.4112.7L675 G676 F677L675-R679 WeakPolarHBondContact O-CB 3.41Å; L675-R679 PolarHBondContact O-N 3.46Å; L675-R679 VanDerWaalsContact O-N 3.07Å; G676-R679 PolarHBondContact O-N 3.19Å; F677-R679 VanDerWaalsContact C-N 3.32Å
680R51.2Low73.7Confident280 Ų280135.9 Ų135.9100%1.05763%0.634SS**  trans-82.90163.5-80.4-173.8-175.6168.12.4109.4G676G676-R680 PolarHBondContact O-N 3.1Å

Retrieved 680 of 680 residues in 121.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).