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Signal recognition particle subunit SRP68

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). The SRP complex interacts with the signal sequence in nascent secretory and membrane proteins and directs them to the membrane of the ER.

AlphaFold DB , UniProt , Accession G4VPU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 637 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low38.7Very low239 Ų239138.3 Ų138.3100%1.17776%0.764SS**  082.90-84.5172.7119.600106.7T3M1-T3 PolarHBondContact O-N 3.07Å
2E36Very low40.6Very low196 Ų196129.3 Ų129.392%0.91672%0.718SS**  trans-78105.6161.9-78.4176.2167.400105.1S4E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.19Å
3T36Very low42.9Very low122 Ų122124.4 Ų124.475%0.74870%0.698SS**  trans-60.899.2169.543.90000106.8M1 E5M1-T3 PolarHBondContact O-N 3.07Å; T3-E5 VanDerWaalsContact C-N 3.27Å; T3-E5 PolarHBondContact O-N 3.11Å
4S39.8Very low45.2Very low108 Ų108116.4 Ų116.476%0.75565%0.653SS**  trans-59.398.5165.847.40000106.9E2 N6E2-S4 VanDerWaalsContact C-N 3.32Å; E2-S4 PolarHBondContact O-N 3.19Å; S4-N6 PolarHBondContact O-N 3.27Å; S4-N6 VanDerWaalsContact O-N 3.12Å
5E34.1Very low47.5Very low160 Ų160112.3 Ų112.375%0.74863%0.633SS**  trans-49.3117.5173.6-68.7174.5162.600108T3 T7T3-E5 VanDerWaalsContact C-N 3.27Å; T3-E5 PolarHBondContact O-N 3.11Å; E5-T7 PolarHBondContact O-N 3.2Å
6N33.3Very low49.8Very low158 Ų158105.3 Ų105.385%0.84559%0.594SS**  trans-62.578.7164.6-81-22.5000107.3S4 T8S4-N6 PolarHBondContact O-N 3.27Å; S4-N6 VanDerWaalsContact O-N 3.12Å; N6-T8 PolarHBondContact O-N 2.93Å
7T33.3Very low51.8Low108 Ų10899.3 Ų99.366%0.66356%0.56SS**  trans-65.7104.3165.228.90000105.4E5 I9E5-T7 PolarHBondContact O-N 3.2Å; T7-I9 VanDerWaalsContact C-N 3.27Å; T7-I9 PolarHBondContact O-N 2.65Å
8T35.3Very low53.8Low132 Ų13296.3 Ų96.381%0.8155%0.547SS*.  trans-56.695167.639.20000107.4N6 T10N6-T8 PolarHBondContact O-N 2.93Å; T8-T10 PolarHBondContact O-N 3.48Å
9I43.2Very low55.5Low109 Ų10993.7 Ų93.756%0.55953%0.531SS*.  trans-62.5107.2178.4-58.4175.7000106.4T7 L132T7-I9 VanDerWaalsContact C-N 3.27Å; T7-I9 PolarHBondContact O-N 2.65Å; I9-L132 HydrophobicContact CD1-CD1 4.25Å; I9-L132 HydrophobicContact CG2-CD1 3.59Å; I9-L132 HydrophobicContact CG2-CG 3.86Å
10T44.1Very low57.1Low115 Ų11589.1 Ų89.171%0.70650%0.504SS*.  trans-63127.9171.2450000107.9T8 S12T8-T10 PolarHBondContact O-N 3.48Å; T10-S12 PolarHBondContact O-N 3.41Å; T10-S12 VanDerWaalsContact O-N 3.15Å
11P55.4Low58.5Low74 Ų7485.4 Ų85.448%0.48148%0.483SS..  trans-60.212317923.9-32.1000108.5S13 D134P11-S13 PolarHBondContact O-N 2.86Å; P11-D134 HydrophobicContact CB-CB 4.17Å
12S61.7Low60.9Low30 Ų3076.4 Ų76.421%0.2144%0.443CS..BIsolated β-bridgetrans-76.7113.5178.658.50000108.6T10 I14 L132T10-S12 PolarHBondContact O-N 3.41Å; T10-S12 VanDerWaalsContact O-N 3.15Å; S12-I14 PolarHBondContact O-N 3.32Å; S12-L132 PolarHBondContact N-O 3.03Å; S12-L132 PolarHBondContact OG-O 3.27Å
13S70.2Confident63.4Low66 Ų6667.2 Ų67.246%0.46240%0.401SS..  trans-73.6114.6168.6-179.10000109P11P11-S13 PolarHBondContact O-N 2.86Å
14I74.7Confident65.8Low13 Ų1362 Ų627%0.06737%0.368CS..  trans-109.9107.2173.5-53.3172.6000106.7S12 V16 P75 I78 I79 L133 T137S12-I14 PolarHBondContact O-N 3.32Å; I14-V16 VanDerWaalsContact C-N 3.32Å; I14-V16 PolarHBondContact O-N 3.34Å; I14-P75 HydrophobicContact CD1-CB 3.56Å; I14-P75 HydrophobicContact CG1-CB 4.23Å; I14-I78 HydrophobicContact CD1-CB 4.3Å; I14-I78 HydrophobicContact CD1-CD1 4.46Å; I14-I78 HydrophobicContact CD1-CG2 4.42Å; I14-I79 HydrophobicContact CD1-CG1 4.42Å; I14-I79 HydrophobicContact CG2-CD1 4.36Å; I14-I79 HydrophobicContact CG2-CG1 4.1Å; I14-L133 HydrophobicContact CD1-CD2 4.35Å; I14-T137 HydrophobicContact CB-CG2 4.06Å; I14-T137 PolarHBondContact N-OG1 2.68Å; I14-T137 WeakPolarHBondContact O-CG2 3.36Å; I14-T137 PolarHBondContact O-OG1 2.81Å
15P80.4Confident68Low54 Ų5462.3 Ų62.335%0.35136%0.358SS..  trans-73.390.1174.730.2-34.6000108.9L17 S18 L19P15-L17 VanDerWaalsContact C-N 3.33Å; P15-L17 PolarHBondContact O-N 3.17Å; P15-S18 PolarHBondContact O-N 3.45Å; P15-L19 WeakPolarHBondContact O-CB 3.47Å; P15-L19 PolarHBondContact O-N 3.01Å
16V83.4Confident70.5Confident1 Ų160.7 Ų60.71%0.00635%0.35CS..Hα-helixtrans-59.7-46.3-175.1175.40000109.9I14 L19 V20 I82 T137 E140 L141I14-V16 VanDerWaalsContact C-N 3.32Å; I14-V16 PolarHBondContact O-N 3.34Å; V16-L19 PolarHBondContact O-N 3.38Å; V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CB 3.41Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.28Å; V16-I82 HydrophobicContact CB-CD1 4.34Å; V16-I82 HydrophobicContact CG1-CD1 3.83Å; V16-I82 HydrophobicContact CG1-CG1 4.29Å; V16-I82 HydrophobicContact CG1-CG2 4.19Å; V16-I82 HydrophobicContact CG2-CD1 3.75Å; V16-T137 HydrophobicContact CG2-CG2 4.07Å; V16-E140 HydrophobicContact CB-CB 4.29Å; V16-E140 HydrophobicContact CG2-CB 4.44Å; V16-E140 PolarHBondContact N-OE2 2.93Å; V16-L141 HydrophobicContact CG1-CD2 4.34Å; V16-L141 HydrophobicContact CG2-CD2 3.97Å; V16-L141 HydrophobicContact CG2-CG 4.18Å
17L85.1Confident73Confident3 Ų355 Ų552%0.01632%0.319CS..Hα-helixtrans-67.3-42.9-176.7-173.966.2000111.8P15 V20 K21 E140 Y173 V187 Y188 R191P15-L17 VanDerWaalsContact C-N 3.33Å; P15-L17 PolarHBondContact O-N 3.17Å; L17-V20 PolarHBondContact O-N 3.38Å; L17-K21 HydrophobicContact CD1-CG 4.37Å; L17-K21 WeakPolarHBondContact O-CB 3.5Å; L17-K21 PolarHBondContact O-N 3.18Å; L17-E140 PolarHBondContact N-OE2 2.99Å; L17-Y173 HydrophobicContact CD2-CD1 4.43Å; L17-Y173 HydrophobicContact CD2-CE1 4.02Å; L17-V187 HydrophobicContact CD2-CG1 3.93Å; L17-V187 HydrophobicContact CG-CG1 3.82Å; L17-Y188 HydrophobicContact CB-CE1 4.06Å; L17-Y188 HydrophobicContact CD2-CD1 3.36Å; L17-Y188 HydrophobicContact CD2-CE1 3.63Å; L17-Y188 HydrophobicContact CD2-CG 4.09Å; L17-Y188 HydrophobicContact CG-CE1 4.5Å; L17-R191 HydrophobicContact CD1-CB 4.28Å; L17-R191 HydrophobicContact CD1-CG 4.15Å; L17-R191 HydrophobicContact CD2-CB 3.87Å; L17-R191 HydrophobicContact CD2-CG 4.34Å
18S86.2Confident75.1Confident46 Ų4650.1 Ų50.132%0.32229%0.289SS..Hα-helixtrans-62.2-44.7176.3-177.10000111.4P15 V20 K21 S22P15-S18 PolarHBondContact O-N 3.45Å; S18-V20 PolarHBondContact O-N 3.49Å; S18-K21 PolarHBondContact O-N 3.29Å; S18-S22 WeakPolarHBondContact O-CB 3.36Å; S18-S22 PolarHBondContact O-N 3.37Å
19L87.2Confident77.2Confident46 Ų4644.2 Ų44.224%0.24125%0.253CS..Hα-helixtrans-60.5-43.8176.9-179.566.1000112.2P15 V16 A23 I79 F83P15-L19 WeakPolarHBondContact O-CB 3.47Å; P15-L19 PolarHBondContact O-N 3.01Å; V16-L19 PolarHBondContact O-N 3.38Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.81Å; L19-A23 VanDerWaalsContact O-N 3.13Å; L19-I79 HydrophobicContact CD2-CB 4.35Å; L19-I79 HydrophobicContact CD2-CD1 4.18Å; L19-I79 HydrophobicContact CD2-CG1 3.9Å; L19-I79 HydrophobicContact CD2-CG2 3.73Å; L19-F83 HydrophobicContact CD1-CZ 4.19Å; L19-F83 HydrophobicContact CD2-CE2 4.26Å; L19-F83 HydrophobicContact CD2-CZ 4.19Å; L19-F83 HydrophobicContact CG-CE2 4.49Å; L19-F83 HydrophobicContact CG-CZ 3.98Å
20V87.6Confident78.9Confident1 Ų147.5 Ų47.51%0.00626%0.258CS..Hα-helixtrans-68-51.6178.6168.70000110.7V16 L17 S18 S22 A23 Q24 I82 E86V16-V20 HydrophobicContact CG1-CG2 4.46Å; V16-V20 WeakPolarHBondContact O-CB 3.41Å; V16-V20 VanDerWaalsContact O-CG2 3.28Å; V16-V20 WeakPolarHBondContact O-CG2 3.39Å; V16-V20 PolarHBondContact O-N 3.28Å; L17-V20 PolarHBondContact O-N 3.38Å; S18-V20 PolarHBondContact O-N 3.49Å; V20-S22 PolarHBondContact O-N 3.16Å; V20-A23 PolarHBondContact O-N 3.41Å; V20-Q24 HydrophobicContact CG1-CG 4.24Å; V20-Q24 VanDerWaalsContact CG1-NE2 3.26Å; V20-Q24 WeakPolarHBondContact O-CB 3.28Å; V20-Q24 VanDerWaalsContact O-CG 3.25Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.83Å; V20-I82 HydrophobicContact CG2-CG2 3.73Å; V20-E86 HydrophobicContact CG1-CG 4.2Å; V20-E86 WeakPolarHBondContact CG1-OE1 3.34Å; V20-E86 HydrophobicContact CG2-CG 4.13Å
21K85.7Confident80.5Confident13 Ų1348.7 Ų48.76%0.05726%0.255CS..Hα-helixtrans-61-43.2-180-80.4-131.8178.9-165.70111.8L17 S18 A23 Q24 Q25 V187 S190 D194L17-K21 HydrophobicContact CD1-CG 4.37Å; L17-K21 WeakPolarHBondContact O-CB 3.5Å; L17-K21 PolarHBondContact O-N 3.18Å; S18-K21 PolarHBondContact O-N 3.29Å; K21-A23 PolarHBondContact O-N 3.46Å; K21-Q24 PolarHBondContact O-N 3.47Å; K21-Q25 WeakPolarHBondContact O-CB 3.22Å; K21-Q25 WeakPolarHBondContact O-CG 3.39Å; K21-Q25 PolarHBondContact O-N 2.9Å; K21-V187 HydrophobicContact CB-CG1 4.19Å; K21-V187 HydrophobicContact CD-CG1 4.05Å; K21-V187 HydrophobicContact CG-CG1 4.02Å; K21-S190 PolarHBondContact NZ-OG 3.21Å; K21-D194 IonicContact NZ-OD2 3.18Å; K21-D194 PolarHBondContact NZ-OD2 3.19Å
22S86.9Confident81.6Confident49 Ų4946.4 Ų46.434%0.34325%0.246SC..Hα-helixtrans-59.9-46.4176179.60000111.6S18 V20 Q24 Q25 Q26S18-S22 WeakPolarHBondContact O-CB 3.36Å; S18-S22 PolarHBondContact O-N 3.37Å; V20-S22 PolarHBondContact O-N 3.16Å; S22-Q24 PolarHBondContact O-N 2.74Å; S22-Q25 PolarHBondContact O-N 3.13Å; S22-Q26 WeakPolarHBondContact O-CB 3.06Å; S22-Q26 VanDerWaalsContact O-CG 3.29Å; S22-Q26 WeakPolarHBondContact O-CG 3.33Å; S22-Q26 PolarHBondContact O-N 3.24Å
23A87Confident82.8Confident4 Ų448.1 Ų48.13%0.03325%0.252CS..Hα-helixtrans-64.1-39.8176.300000112.5L19 V20 K21 H27 Y37 Y40 F83L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 2.81Å; L19-A23 VanDerWaalsContact O-N 3.13Å; V20-A23 PolarHBondContact O-N 3.41Å; K21-A23 PolarHBondContact O-N 3.46Å; A23-H27 WeakPolarHBondContact O-CB 3.27Å; A23-H27 PolarHBondContact O-CD2 2.97Å; A23-H27 VanDerWaalsContact O-CD2 3.25Å; A23-H27 PolarHBondContact O-N 3.39Å; A23-Y37 HydrophobicContact CB-CE2 4.2Å; A23-Y37 VanDerWaalsContact O-CE2 3.3Å; A23-Y37 WeakPolarHBondContact O-CE2 3.46Å; A23-Y40 HydrophobicContact CB-CE1 4.46Å; A23-F83 HydrophobicContact CB-CE1 4.01Å; A23-F83 HydrophobicContact CB-CZ 4.38Å
24Q87.2Confident83.7Confident13 Ų1346.5 Ų46.56%0.06124%0.236CC..Hα-helixtrans-62.7-49.7177.7-76.9175.5-5.800111.1V20 K21 S22 H27 L29 Y37 E86V20-Q24 HydrophobicContact CG1-CG 4.24Å; V20-Q24 VanDerWaalsContact CG1-NE2 3.26Å; V20-Q24 WeakPolarHBondContact O-CB 3.28Å; V20-Q24 VanDerWaalsContact O-CG 3.25Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.83Å; K21-Q24 PolarHBondContact O-N 3.47Å; S22-Q24 PolarHBondContact O-N 2.74Å; Q24-H27 PolarHBondContact O-N 3.48Å; Q24-L29 HydrophobicContact CB-CB 4.07Å; Q24-L29 HydrophobicContact CB-CD2 3.62Å; Q24-L29 HydrophobicContact CB-CG 4.47Å; Q24-L29 HydrophobicContact CG-CD2 3.74Å; Q24-L29 WeakPolarHBondContact O-CB 3.36Å; Q24-L29 PolarHBondContact O-N 3.47Å; Q24-L29 VanDerWaalsContact O-N 3.15Å; Q24-Y37 HydrophobicContact CB-CE2 4.43Å; Q24-Y37 HydrophobicContact CG-CE1 3.72Å; Q24-Y37 HydrophobicContact CG-CE2 4.03Å; Q24-Y37 VanDerWaalsContact CG-CZ 3.42Å; Q24-Y37 WeakPolarHBondContact CG-OH 3.44Å; Q24-E86 PolarHBondContact NE2-OE1 3.27Å; Q24-E86 PolarHBondContact NE2-OE2 3.39Å; Q24-E86 VanDerWaalsContact NE2-OE2 3.1Å
25Q85.4Confident84.5Confident114 Ų11450.5 Ų50.553%0.53326%0.255SS..Hα-helixtrans-65-41-178.2-71.5175.8-6.300112.7K21 S22 H27K21-Q25 WeakPolarHBondContact O-CB 3.22Å; K21-Q25 WeakPolarHBondContact O-CG 3.39Å; K21-Q25 PolarHBondContact O-N 2.9Å; S22-Q25 PolarHBondContact O-N 3.13Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-H27 PolarHBondContact O-N 2.85Å
26Q86.4Confident85Confident126 Ų12654 Ų5459%0.58926%0.261SS*.Hα-helixtrans-71.8-23.2-178-71.4179.13.500114.2S22S22-Q26 WeakPolarHBondContact O-CB 3.06Å; S22-Q26 VanDerWaalsContact O-CG 3.29Å; S22-Q26 WeakPolarHBondContact O-CG 3.33Å; S22-Q26 PolarHBondContact O-N 3.24Å
27H86.3Confident85.5Confident39 Ų3954 Ų5418%0.18126%0.261CS..THydrogen-bonded Turntrans-12230.9-164.4-62.3-55.2000115.2A23 Q24 Q25 R36 Y37 Y40A23-H27 WeakPolarHBondContact O-CB 3.27Å; A23-H27 PolarHBondContact O-CD2 2.97Å; A23-H27 VanDerWaalsContact O-CD2 3.25Å; A23-H27 PolarHBondContact O-N 3.39Å; Q24-H27 PolarHBondContact O-N 3.48Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-H27 PolarHBondContact O-N 2.85Å; H27-R36 CarbonylContact O-C 3.59Å; H27-R36 WeakPolarHBondContact O-CG 3.47Å; H27-Y37 HydrophobicContact CB-CD2 3.96Å; H27-Y37 WeakPolarHBondContact O-CA 3.28Å; H27-Y37 PolarHBondContact O-N 3.03Å; H27-Y40 HydrophobicContact CB-CD1 3.88Å; H27-Y40 HydrophobicContact CB-CD2 4.41Å; H27-Y40 HydrophobicContact CB-CE1 4.48Å; H27-Y40 HydrophobicContact CB-CG 3.84Å; H27-Y40 AromaticContact CD2-CD1 3.43Å; H27-Y40 VanDerWaalsContact CD2-CD1 3.43Å; H27-Y40 WeakPolarHBondContact CD2-CD1 3.47Å; H27-Y40 AromaticContact CD2-CD2 3.72Å; H27-Y40 AromaticContact CD2-CE1 3.15Å; H27-Y40 WeakPolarHBondContact CD2-CE1 3.45Å; H27-Y40 AromaticContact CD2-CE2 3.43Å; H27-Y40 VanDerWaalsContact CD2-CE2 3.43Å; H27-Y40 WeakPolarHBondContact CD2-CE2 3.32Å; H27-Y40 AromaticContact CD2-CG 3.7Å; H27-Y40 AromaticContact CD2-CZ 3.11Å; H27-Y40 AromaticContact CE1-CD2 3.67Å; H27-Y40 AromaticContact CE1-CE2 3.35Å; H27-Y40 WeakPolarHBondContact CE1-CE2 3.24Å; H27-Y40 AromaticContact CE1-CZ 3.79Å; H27-Y40 AromaticContact CG-CD1 3.64Å; H27-Y40 AromaticContact CG-CD2 3.65Å; H27-Y40 AromaticContact CG-CE1 3.86Å; H27-Y40 AromaticContact CG-CE2 3.84Å; H27-Y40 AromaticContact CG-CG 3.52Å; H27-Y40 AromaticContact CG-CZ 3.92Å; H27-Y40 AromaticContact ND1-CD2 3.63Å; H27-Y40 AromaticContact ND1-CE2 3.8Å; H27-Y40 AromaticContact ND1-CG 3.96Å; H27-Y40 AromaticContact NE2-CD2 3.7Å; H27-Y40 AromaticContact NE2-CE1 3.61Å; H27-Y40 AromaticContact NE2-CE2 3.06Å; H27-Y40 WeakPolarHBondContact NE2-CE2 3.4Å; H27-Y40 AromaticContact NE2-CZ 2.98Å; H27-Y40 PolarHBondContact NE2-OH 2.69Å; H27-Y40 VanDerWaalsContact NE2-OH 3.08Å
28G77.2Confident85.8Confident4 Ų455 Ų554%0.04127%0.266CS..THydrogen-bonded Turntrans115.6-18.6166.200000114.7R30 H31 D33G28-R30 PolarHBondContact O-N 3.4Å; G28-H31 PolarHBondContact O-N 2.83Å; G28-D33 PolarHBondContact O-N 3.08Å; G28-D33 VanDerWaalsContact O-N 3.16Å
29L80.9Confident86.2Confident9 Ų957.4 Ų57.45%0.04727%0.271CS..G310 helixtrans-66.6-25.7-176-158.369.5000112.2Q24 H31 G32 Y34 W89 L229Q24-L29 HydrophobicContact CB-CB 4.07Å; Q24-L29 HydrophobicContact CB-CD2 3.62Å; Q24-L29 HydrophobicContact CB-CG 4.47Å; Q24-L29 HydrophobicContact CG-CD2 3.74Å; Q24-L29 WeakPolarHBondContact O-CB 3.36Å; Q24-L29 PolarHBondContact O-N 3.47Å; Q24-L29 VanDerWaalsContact O-N 3.15Å; L29-H31 PolarHBondContact O-N 3.06Å; L29-G32 PolarHBondContact O-N 2.81Å; L29-Y34 HydrophobicContact CD1-CD1 3.46Å; L29-Y34 VanDerWaalsContact CD1-CD1 3.46Å; L29-Y34 HydrophobicContact CD1-CE1 3.19Å; L29-Y34 HydrophobicContact CD1-CE2 4.42Å; L29-Y34 HydrophobicContact CD1-CG 4.22Å; L29-W89 HydrophobicContact CD2-CH2 4.02Å; L29-L229 HydrophobicContact CB-CD1 4.46Å; L29-L229 HydrophobicContact CD1-CD1 4.45Å; L29-L229 HydrophobicContact CD1-CD2 4.48Å; L29-L229 HydrophobicContact CD2-CD1 3.86Å; L29-L229 HydrophobicContact CG-CD1 3.57Å; L29-L229 HydrophobicContact CG-CD2 4.38Å; L29-L229 VanDerWaalsContact O-CD1 3.26Å; L29-L229 WeakPolarHBondContact O-CD1 3.42Å; L29-L229 VanDerWaalsContact O-CD2 3.31Å; L29-L229 WeakPolarHBondContact O-CD2 3.32Å; L29-L229 WeakPolarHBondContact O-CG 3.39Å
30R77.7Confident86.5Confident177 Ų17757.3 Ų57.367%0.66827%0.268SS*.G310 helixtrans-52.4-26.5171.5-167.8176.8-178.1-170.20.9113.6G28G28-R30 PolarHBondContact O-N 3.4Å
31H77.7Confident86.8Confident140 Ų14057.2 Ų57.265%0.64827%0.268SS*.G310 helixtrans-113.113.7178.3-54.7-62.5000113.3G28 L29 D33G28-H31 PolarHBondContact O-N 2.83Å; L29-H31 PolarHBondContact O-N 3.06Å; H31-D33 VanDerWaalsContact C-N 3.27Å; H31-D33 PolarHBondContact O-N 3Å
32G79.5Confident87.1Confident27 Ų2758.6 Ų58.628%0.27828%0.279SS..THydrogen-bonded Turntrans73.511.1-177.100000115.3L29 Y34L29-G32 PolarHBondContact O-N 2.81Å; G32-Y34 VanDerWaalsContact O-CD2 3.24Å; G32-Y34 WeakPolarHBondContact O-CD2 3.25Å; G32-Y34 PolarHBondContact O-N 3.35Å; G32-Y34 VanDerWaalsContact O-N 3.08Å
33D86.8Confident87.4Confident65 Ų6562.6 Ų62.635%0.34829%0.286SS..  trans-83.985.2-179.7-173.8-8.4000111.5G28 H31 Q35 R36 Y37G28-D33 PolarHBondContact O-N 3.08Å; G28-D33 VanDerWaalsContact O-N 3.16Å; H31-D33 VanDerWaalsContact C-N 3.27Å; H31-D33 PolarHBondContact O-N 3Å; D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 3.45Å; D33-Q35 WeakPolarHBondContact OD1-CB 2.87Å; D33-Q35 PolarHBondContact OD1-N 3Å; D33-Q35 VanDerWaalsContact OD1-N 3.13Å; D33-R36 HydrophobicContact CB-CB 4.3Å; D33-R36 VanDerWaalsContact CG-CB 3.45Å; D33-R36 PolarHBondContact OD1-N 3.15Å; D33-R36 VanDerWaalsContact OD2-CB 3.23Å; D33-R36 WeakPolarHBondContact OD2-CB 3.46Å; D33-Y37 PolarHBondContact O-N 2.82Å
34Y89.4Confident87.6Confident32 Ų3264.7 Ų64.713%0.12530%0.295CS..Hα-helixtrans-67.9-27.1175.8-65.6-80.1000113.2L29 G32 Y37 H38 W89 M93L29-Y34 HydrophobicContact CD1-CD1 3.46Å; L29-Y34 VanDerWaalsContact CD1-CD1 3.46Å; L29-Y34 HydrophobicContact CD1-CE1 3.19Å; L29-Y34 HydrophobicContact CD1-CE2 4.42Å; L29-Y34 HydrophobicContact CD1-CG 4.22Å; G32-Y34 VanDerWaalsContact O-CD2 3.24Å; G32-Y34 WeakPolarHBondContact O-CD2 3.25Å; G32-Y34 PolarHBondContact O-N 3.35Å; G32-Y34 VanDerWaalsContact O-N 3.08Å; Y34-Y37 PolarHBondContact O-N 3.17Å; Y34-H38 VanDerWaalsContact O-CB 3.23Å; Y34-H38 WeakPolarHBondContact O-CB 3.37Å; Y34-H38 PolarHBondContact O-N 2.89Å; Y34-W89 AromaticContact CE1-CH2 3.98Å; Y34-W89 HydrophobicContact CE1-CH2 3.98Å; Y34-W89 HydrophobicContact CE1-CZ2 4.22Å; Y34-M93 HydrophobicContact CD1-CB 3.24Å; Y34-M93 HydrophobicContact CD1-CG 4.04Å; Y34-M93 HydrophobicContact CD2-CB 4.08Å; Y34-M93 HydrophobicContact CE1-CB 3.37Å; Y34-M93 HydrophobicContact CE1-CG 3.74Å; Y34-M93 HydrophobicContact CE2-CB 4.21Å; Y34-M93 HydrophobicContact CG-CB 3.61Å
35Q91.2Very high87.7Confident98 Ų9864.1 Ų64.146%0.45829%0.292SS..Hα-helixtrans-66.7-47.3179.5-179.8178.8-15.400110.3D33 Y37 H38 Q39 Q94D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 3.45Å; D33-Q35 WeakPolarHBondContact OD1-CB 2.87Å; D33-Q35 PolarHBondContact OD1-N 3Å; D33-Q35 VanDerWaalsContact OD1-N 3.13Å; Q35-Y37 VanDerWaalsContact C-N 3.34Å; Q35-Y37 PolarHBondContact O-N 2.74Å; Q35-H38 PolarHBondContact O-N 3.42Å; Q35-Q39 WeakPolarHBondContact O-CB 3.46Å; Q35-Q39 VanDerWaalsContact O-CG 3.29Å; Q35-Q39 WeakPolarHBondContact O-CG 3.28Å; Q35-Q39 PolarHBondContact O-N 3.06Å; Q35-Q94 HydrophobicContact CB-CG 4.17Å
36R91Very high87.9Confident127 Ų12766.9 Ų66.948%0.47930%0.298SS..Hα-helixtrans-61.3-42.8176.2-175.5180179.2-175.3-1111.7H27 D33 Q39 Y40H27-R36 CarbonylContact O-C 3.59Å; H27-R36 WeakPolarHBondContact O-CG 3.47Å; D33-R36 HydrophobicContact CB-CB 4.3Å; D33-R36 VanDerWaalsContact CG-CB 3.45Å; D33-R36 PolarHBondContact OD1-N 3.15Å; D33-R36 VanDerWaalsContact OD2-CB 3.23Å; D33-R36 WeakPolarHBondContact OD2-CB 3.46Å; R36-Q39 PolarHBondContact O-N 2.69Å; R36-Y40 WeakPolarHBondContact O-CB 3.41Å; R36-Y40 PolarHBondContact O-N 3.34Å
37Y93.1Very high88.1Confident0 Ų069.6 Ų69.60%030%0.303CS..Hα-helixtrans-64.4-46.7177.9-174.4-123.5000111.9A23 Q24 H27 D33 Y34 Q35 Q39 Y40 I41 E86 W89 A90A23-Y37 HydrophobicContact CB-CE2 4.2Å; A23-Y37 VanDerWaalsContact O-CE2 3.3Å; A23-Y37 WeakPolarHBondContact O-CE2 3.46Å; Q24-Y37 HydrophobicContact CB-CE2 4.43Å; Q24-Y37 HydrophobicContact CG-CE1 3.72Å; Q24-Y37 HydrophobicContact CG-CE2 4.03Å; Q24-Y37 VanDerWaalsContact CG-CZ 3.42Å; Q24-Y37 WeakPolarHBondContact CG-OH 3.44Å; H27-Y37 HydrophobicContact CB-CD2 3.96Å; H27-Y37 WeakPolarHBondContact O-CA 3.28Å; H27-Y37 PolarHBondContact O-N 3.03Å; D33-Y37 PolarHBondContact O-N 2.82Å; Y34-Y37 PolarHBondContact O-N 3.17Å; Q35-Y37 VanDerWaalsContact C-N 3.34Å; Q35-Y37 PolarHBondContact O-N 2.74Å; Y37-Q39 PolarHBondContact O-N 2.88Å; Y37-Y40 HydrophobicContact CD2-CD1 4.4Å; Y37-Y40 HydrophobicContact CE2-CD1 4.38Å; Y37-Y40 WeakPolarHBondContact O-CB 3.24Å; Y37-Y40 PolarHBondContact O-N 3.37Å; Y37-I41 HydrophobicContact CD1-CD1 3.66Å; Y37-I41 HydrophobicContact CD2-CD1 4.19Å; Y37-I41 HydrophobicContact CD2-CG1 4.29Å; Y37-I41 HydrophobicContact CE1-CD1 3.2Å; Y37-I41 HydrophobicContact CE1-CG1 4.21Å; Y37-I41 HydrophobicContact CE2-CD1 3.8Å; Y37-I41 HydrophobicContact CE2-CG1 3.91Å; Y37-I41 HydrophobicContact CG-CD1 4.12Å; Y37-I41 WeakPolarHBondContact O-CG1 3.43Å; Y37-I41 PolarHBondContact O-N 2.99Å; Y37-E86 WeakPolarHBondContact CE1-OE2 3.48Å; Y37-E86 PolarHBondContact OH-OE2 3.07Å; Y37-W89 HydrophobicContact CD1-CZ3 4.24Å; Y37-W89 HydrophobicContact CE1-CE3 4.37Å; Y37-W89 AromaticContact CE1-CZ3 3.9Å; Y37-W89 HydrophobicContact CE1-CZ3 3.9Å; Y37-A90 HydrophobicContact CD1-CB 3.63Å; Y37-A90 HydrophobicContact CE1-CB 4.09Å
38H92.4Very high88.2Confident26 Ų2668.9 Ų68.912%0.1230%0.3CS..Hα-helixtrans-58.9-43.9176.2173.6-149.9000112.4Y34 Q35 I41 S42 A90 Y91 Q94Y34-H38 VanDerWaalsContact O-CB 3.23Å; Y34-H38 WeakPolarHBondContact O-CB 3.37Å; Y34-H38 PolarHBondContact O-N 2.89Å; Q35-H38 PolarHBondContact O-N 3.42Å; H38-I41 PolarHBondContact O-N 3.06Å; H38-S42 WeakPolarHBondContact O-CB 3.41Å; H38-S42 PolarHBondContact O-N 3.06Å; H38-S42 PolarHBondContact O-OG 3.49Å; H38-A90 HydrophobicContact CB-CB 4.01Å; H38-Y91 AromaticContact CE1-CD1 3.78Å; H38-Y91 AromaticContact CE1-CD2 3.5Å; H38-Y91 AromaticContact CE1-CG 3.33Å; H38-Y91 AromaticContact ND1-CD2 3.64Å; H38-Y91 AromaticContact ND1-CG 3.76Å; H38-Y91 AromaticContact NE2-CG 3.88Å; H38-Q94 PolarHBondContact ND1-OE1 3.31Å
39Q93.3Very high88.8Confident95 Ų9570.3 Ų70.344%0.44430%0.304SS..Hα-helixtrans-66-38176.2-72.2179.35.800112.5Q35 R36 Y37 R43Q35-Q39 WeakPolarHBondContact O-CB 3.46Å; Q35-Q39 VanDerWaalsContact O-CG 3.29Å; Q35-Q39 WeakPolarHBondContact O-CG 3.28Å; Q35-Q39 PolarHBondContact O-N 3.06Å; R36-Q39 PolarHBondContact O-N 2.69Å; Y37-Q39 PolarHBondContact O-N 2.88Å; Q39-R43 WeakPolarHBondContact O-CG 3.48Å; Q39-R43 PolarHBondContact O-N 3.2Å; Q39-R43 VanDerWaalsContact O-N 3.12Å; Q39-R43 PolarHBondContact O-NE 3.2Å
40Y93.8Very high89.1Confident44 Ų4475 Ų7517%0.17332%0.324CS..Hα-helixtrans-61.3-52.5173.7164.7-98.7000111.1A23 H27 R36 Y37 S42 R43 K44A23-Y40 HydrophobicContact CB-CE1 4.46Å; H27-Y40 HydrophobicContact CB-CD1 3.88Å; H27-Y40 HydrophobicContact CB-CD2 4.41Å; H27-Y40 HydrophobicContact CB-CE1 4.48Å; H27-Y40 HydrophobicContact CB-CG 3.84Å; H27-Y40 AromaticContact CD2-CD1 3.43Å; H27-Y40 VanDerWaalsContact CD2-CD1 3.43Å; H27-Y40 WeakPolarHBondContact CD2-CD1 3.47Å; H27-Y40 AromaticContact CD2-CD2 3.72Å; H27-Y40 AromaticContact CD2-CE1 3.15Å; H27-Y40 WeakPolarHBondContact CD2-CE1 3.45Å; H27-Y40 AromaticContact CD2-CE2 3.43Å; H27-Y40 VanDerWaalsContact CD2-CE2 3.43Å; H27-Y40 WeakPolarHBondContact CD2-CE2 3.32Å; H27-Y40 AromaticContact CD2-CG 3.7Å; H27-Y40 AromaticContact CD2-CZ 3.11Å; H27-Y40 AromaticContact CE1-CD2 3.67Å; H27-Y40 AromaticContact CE1-CE2 3.35Å; H27-Y40 WeakPolarHBondContact CE1-CE2 3.24Å; H27-Y40 AromaticContact CE1-CZ 3.79Å; H27-Y40 AromaticContact CG-CD1 3.64Å; H27-Y40 AromaticContact CG-CD2 3.65Å; H27-Y40 AromaticContact CG-CE1 3.86Å; H27-Y40 AromaticContact CG-CE2 3.84Å; H27-Y40 AromaticContact CG-CG 3.52Å; H27-Y40 AromaticContact CG-CZ 3.92Å; H27-Y40 AromaticContact ND1-CD2 3.63Å; H27-Y40 AromaticContact ND1-CE2 3.8Å; H27-Y40 AromaticContact ND1-CG 3.96Å; H27-Y40 AromaticContact NE2-CD2 3.7Å; H27-Y40 AromaticContact NE2-CE1 3.61Å; H27-Y40 AromaticContact NE2-CE2 3.06Å; H27-Y40 WeakPolarHBondContact NE2-CE2 3.4Å; H27-Y40 AromaticContact NE2-CZ 2.98Å; H27-Y40 PolarHBondContact NE2-OH 2.69Å; H27-Y40 VanDerWaalsContact NE2-OH 3.08Å; R36-Y40 WeakPolarHBondContact O-CB 3.41Å; R36-Y40 PolarHBondContact O-N 3.34Å; Y37-Y40 HydrophobicContact CD2-CD1 4.4Å; Y37-Y40 HydrophobicContact CE2-CD1 4.38Å; Y37-Y40 WeakPolarHBondContact O-CB 3.24Å; Y37-Y40 PolarHBondContact O-N 3.37Å; Y40-S42 VanDerWaalsContact C-N 3.29Å; Y40-S42 PolarHBondContact O-N 3.23Å; Y40-R43 CarbonylContact O-C 3.56Å; Y40-R43 PolarHBondContact O-N 3.36Å; Y40-R43 VanDerWaalsContact O-N 3.07Å; Y40-K44 HydrophobicContact CE1-CB 4.46Å; Y40-K44 HydrophobicContact CE1-CD 3.87Å; Y40-K44 PolarHBondContact O-N 2.73Å; Y40-K44 WeakPolarHBondContact OH-CD 3.5Å; Y40-K44 PolarHBondContact OH-NZ 3.49Å
41I93.1Very high89.5Confident0 Ų070 Ų700%032%0.316CS..Hα-helixtrans-61.3-41-179.1-61.8163.4000110.6Y37 H38 R43 K44 L45 F83 E86 R87 A90Y37-I41 HydrophobicContact CD1-CD1 3.66Å; Y37-I41 HydrophobicContact CD2-CD1 4.19Å; Y37-I41 HydrophobicContact CD2-CG1 4.29Å; Y37-I41 HydrophobicContact CE1-CD1 3.2Å; Y37-I41 HydrophobicContact CE1-CG1 4.21Å; Y37-I41 HydrophobicContact CE2-CD1 3.8Å; Y37-I41 HydrophobicContact CE2-CG1 3.91Å; Y37-I41 HydrophobicContact CG-CD1 4.12Å; Y37-I41 WeakPolarHBondContact O-CG1 3.43Å; Y37-I41 PolarHBondContact O-N 2.99Å; H38-I41 PolarHBondContact O-N 3.06Å; I41-R43 VanDerWaalsContact C-N 3.29Å; I41-R43 PolarHBondContact O-N 2.95Å; I41-K44 PolarHBondContact O-N 3.2Å; I41-L45 HydrophobicContact CG2-CD1 3.84Å; I41-L45 HydrophobicContact CG2-CG 4.03Å; I41-L45 WeakPolarHBondContact O-CB 3.37Å; I41-L45 WeakPolarHBondContact O-CG 3.43Å; I41-L45 PolarHBondContact O-N 2.69Å; I41-F83 HydrophobicContact CG2-CB 4.04Å; I41-F83 HydrophobicContact CG2-CD1 4.38Å; I41-F83 VanDerWaalsContact CG2-O 3.22Å; I41-F83 WeakPolarHBondContact CG2-O 3.22Å; I41-E86 HydrophobicContact CD1-CB 3.86Å; I41-R87 HydrophobicContact CB-CB 4.4Å; I41-R87 HydrophobicContact CG2-CB 3.72Å; I41-R87 HydrophobicContact CG2-CG 4.31Å; I41-A90 HydrophobicContact CD1-CB 4.15Å
42S91.9Very high89.9Confident41 Ų4164.4 Ų64.429%0.28729%0.291SS..Hα-helixtrans-58.6-40.7176.3-65.80000112.3H38 Y40 R46 R87H38-S42 WeakPolarHBondContact O-CB 3.41Å; H38-S42 PolarHBondContact O-N 3.06Å; H38-S42 PolarHBondContact O-OG 3.49Å; Y40-S42 VanDerWaalsContact C-N 3.29Å; Y40-S42 PolarHBondContact O-N 3.23Å; S42-R46 PolarHBondContact O-N 3.23Å; S42-R87 VanDerWaalsContact OG-CD 3.3Å; S42-R87 WeakPolarHBondContact OG-CD 3.27Å
43R93.2Very high90Very high133 Ų13370.6 Ų70.650%0.50231%0.312SS..Hα-helixtrans-70.8-41.8174.5-72.1179.1-71.8155.1-5.6112.1Q39 Y40 I41 R46 R47Q39-R43 WeakPolarHBondContact O-CG 3.48Å; Q39-R43 PolarHBondContact O-N 3.2Å; Q39-R43 VanDerWaalsContact O-N 3.12Å; Q39-R43 PolarHBondContact O-NE 3.2Å; Y40-R43 CarbonylContact O-C 3.56Å; Y40-R43 PolarHBondContact O-N 3.36Å; Y40-R43 VanDerWaalsContact O-N 3.07Å; I41-R43 VanDerWaalsContact C-N 3.29Å; I41-R43 PolarHBondContact O-N 2.95Å; R43-R46 WeakPolarHBondContact O-CB 3.29Å; R43-R46 PolarHBondContact O-N 3.02Å; R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 2.68Å
44K91.7Very high89.8Confident49 Ų4968.1 Ų68.121%0.21330%0.298CS..Hα-helixtrans-61.3-49.6177.6-172.3177.2-166.3165.10111.3Y40 I41 R46 R47 M48 F83Y40-K44 HydrophobicContact CE1-CB 4.46Å; Y40-K44 HydrophobicContact CE1-CD 3.87Å; Y40-K44 PolarHBondContact O-N 2.73Å; Y40-K44 WeakPolarHBondContact OH-CD 3.5Å; Y40-K44 PolarHBondContact OH-NZ 3.49Å; I41-K44 PolarHBondContact O-N 3.2Å; K44-R46 VanDerWaalsContact C-N 3.29Å; K44-R46 PolarHBondContact O-N 2.95Å; K44-R47 PolarHBondContact O-N 3.24Å; K44-M48 HydrophobicContact CG-CG 4.42Å; K44-M48 HydrophobicContact CG-SD 4.27Å; K44-M48 WeakPolarHBondContact O-CG 3.5Å; K44-M48 PolarHBondContact O-N 3.12Å; K44-F83 HydrophobicContact CD-CD2 4.07Å; K44-F83 HydrophobicContact CD-CE1 4.39Å; K44-F83 HydrophobicContact CD-CE2 3.8Å; K44-F83 HydrophobicContact CD-CZ 4.01Å; K44-F83 VanDerWaalsContact CE-CE2 3.41Å
45L90.7Very high89.3Confident1 Ų170.7 Ų70.71%0.00531%0.311CS..Hα-helixtrans-56.8-42.4174.1-75.2172.8000111.6I41 R47 M48 R49 L80 F83 E84 R87I41-L45 HydrophobicContact CG2-CD1 3.84Å; I41-L45 HydrophobicContact CG2-CG 4.03Å; I41-L45 WeakPolarHBondContact O-CB 3.37Å; I41-L45 WeakPolarHBondContact O-CG 3.43Å; I41-L45 PolarHBondContact O-N 2.69Å; L45-R47 VanDerWaalsContact C-N 3.35Å; L45-R47 PolarHBondContact O-N 3.01Å; L45-M48 PolarHBondContact O-N 3.01Å; L45-R49 WeakPolarHBondContact O-CB 3.31Å; L45-R49 VanDerWaalsContact O-CG 3.31Å; L45-R49 WeakPolarHBondContact O-CG 3.37Å; L45-R49 PolarHBondContact O-N 3.06Å; L45-L80 HydrophobicContact CD2-CD1 3.57Å; L45-L80 HydrophobicContact CD2-CG 4.17Å; L45-L80 WeakPolarHBondContact CD2-O 3.42Å; L45-F83 HydrophobicContact CD2-CB 3.61Å; L45-F83 HydrophobicContact CG-CB 4.09Å; L45-E84 HydrophobicContact CD1-CG 4.11Å; L45-E84 HydrophobicContact CD2-CG 3.89Å; L45-R87 HydrophobicContact CD1-CB 4Å; L45-R87 HydrophobicContact CD1-CG 4.38Å
46R89.2Confident88.6Confident171 Ų17168.3 Ų68.365%0.64530%0.3SS*.Hα-helixtrans-61.3-42.4175.6-174.1-179.8-179.8-162.6-1.2111.8S42 R43 K44 K50S42-R46 PolarHBondContact O-N 3.23Å; R43-R46 WeakPolarHBondContact O-CB 3.29Å; R43-R46 PolarHBondContact O-N 3.02Å; K44-R46 VanDerWaalsContact C-N 3.29Å; K44-R46 PolarHBondContact O-N 2.95Å; R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 3Å
47R90.3Very high87.9Confident183 Ų18364 Ų6469%0.69130%0.295SS*.Hα-helixtrans-68.3-45.7177.6-69.4179.2-174.7178.7-0.1111.8R43 K44 L45 R49 K50 S51R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 2.68Å; K44-R47 PolarHBondContact O-N 3.24Å; L45-R47 VanDerWaalsContact C-N 3.35Å; L45-R47 PolarHBondContact O-N 3.01Å; R47-R49 PolarHBondContact O-N 3.34Å; R47-K50 WeakPolarHBondContact O-CB 3.42Å; R47-K50 PolarHBondContact O-N 3.01Å; R47-K50 VanDerWaalsContact O-N 3.08Å; R47-S51 PolarHBondContact O-N 2.95Å
48M88.7Confident87Confident25 Ų2569.8 Ų69.812%0.12333%0.326CS..Hα-helixtrans-62.1-43177.9-75.1-17460.800112.7K44 L45 K50 S51 L52 R76 I79 L80 F83K44-M48 HydrophobicContact CG-CG 4.42Å; K44-M48 HydrophobicContact CG-SD 4.27Å; K44-M48 WeakPolarHBondContact O-CG 3.5Å; K44-M48 PolarHBondContact O-N 3.12Å; L45-M48 PolarHBondContact O-N 3.01Å; M48-K50 PolarHBondContact O-N 3.41Å; M48-S51 WeakPolarHBondContact CA-OG 3.14Å; M48-S51 PolarHBondContact O-N 3.38Å; M48-S51 PolarHBondContact O-OG 3.43Å; M48-L52 HydrophobicContact CE-CD1 4.38Å; M48-L52 WeakPolarHBondContact O-CB 3.32Å; M48-L52 WeakPolarHBondContact O-CG 3.19Å; M48-L52 PolarHBondContact O-N 3.38Å; M48-R76 VanDerWaalsContact CE-O 3.3Å; M48-R76 WeakPolarHBondContact CE-O 3.5Å; M48-I79 HydrophobicContact CE-CB 4.17Å; M48-I79 HydrophobicContact CE-CG2 3.87Å; M48-I79 HydrophobicContact SD-CG2 4.25Å; M48-L80 HydrophobicContact CB-CD1 3.67Å; M48-L80 HydrophobicContact CE-CB 3.9Å; M48-L80 HydrophobicContact CE-CD1 4.09Å; M48-L80 HydrophobicContact SD-CD1 4.44Å; M48-F83 HydrophobicContact SD-CD2 3.99Å; M48-F83 HydrophobicContact SD-CE2 4.42Å
49R88.8Confident85.8Confident33 Ų3381 Ų8113%0.12537%0.367CS..Hα-helixtrans-62.6-29.9174.5-73.9-169.5-163.7112.2-1.1112.6L45 R47 H53 F54 Q55 L80 E84L45-R49 WeakPolarHBondContact O-CB 3.31Å; L45-R49 VanDerWaalsContact O-CG 3.31Å; L45-R49 WeakPolarHBondContact O-CG 3.37Å; L45-R49 PolarHBondContact O-N 3.06Å; R47-R49 PolarHBondContact O-N 3.34Å; R49-H53 PolarHBondContact O-N 3.24Å; R49-F54 WeakPolarHBondContact CB-O 3.31Å; R49-F54 WeakPolarHBondContact CD-O 3.2Å; R49-F54 WeakPolarHBondContact CG-O 3.48Å; R49-F54 CarbonylContact O-C 3.47Å; R49-F54 PolarHBondContact O-N 3.04Å; R49-Q55 WeakPolarHBondContact O-CG 3.42Å; R49-L80 HydrophobicContact CG-CD1 3.82Å; R49-L80 HydrophobicContact CG-CD2 4.03Å; R49-E84 IonicContact CZ-OE1 3.13Å; R49-E84 IonicContact NE-OE1 2.96Å; R49-E84 VanDerWaalsContact NH2-CD 3.29Å; R49-E84 IonicContact NH2-OE1 3.52Å; R49-E84 PolarHBondContact NH2-OE1 3.44Å
50K87.4Confident84.9Confident109 Ų10982 Ų8247%0.47439%0.385SS..Hα-helixtrans-71.3-44.8173.5-71.8-177.5170.8-162.50111.7R46 R47 M48 H53 Q55R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 3Å; R47-K50 WeakPolarHBondContact O-CB 3.42Å; R47-K50 PolarHBondContact O-N 3.01Å; R47-K50 VanDerWaalsContact O-N 3.08Å; M48-K50 PolarHBondContact O-N 3.41Å; K50-H53 PolarHBondContact O-N 3.4Å; K50-Q55 HydrophobicContact CG-CG 4.46Å
51S87.3Confident84.2Confident70 Ų7087.3 Ų87.349%0.4941%0.409SS..Hα-helixtrans-70.3-32.6-178.962.50000113.3R47 M48 H53R47-S51 PolarHBondContact O-N 2.95Å; M48-S51 WeakPolarHBondContact CA-OG 3.14Å; M48-S51 PolarHBondContact O-N 3.38Å; M48-S51 PolarHBondContact O-OG 3.43Å; S51-H53 VanDerWaalsContact C-N 3.28Å
52L85.7Confident83.4Confident24 Ų2492.3 Ų92.313%0.12644%0.44CS..THydrogen-bonded Turntrans-87.45.6177.4-66.6170.3000113.1M48 F54 R76 F77M48-L52 HydrophobicContact CE-CD1 4.38Å; M48-L52 WeakPolarHBondContact O-CB 3.32Å; M48-L52 WeakPolarHBondContact O-CG 3.19Å; M48-L52 PolarHBondContact O-N 3.38Å; L52-F54 HydrophobicContact CB-CB 4.28Å; L52-F54 PolarHBondContact O-N 2.91Å; L52-R76 HydrophobicContact CD1-CB 4.06Å; L52-R76 HydrophobicContact CD2-CB 3.82Å; L52-R76 HydrophobicContact CG-CB 4.45Å; L52-F77 HydrophobicContact CB-CE1 4.21Å; L52-F77 HydrophobicContact CB-CZ 4.12Å; L52-F77 HydrophobicContact CD1-CD1 4.26Å; L52-F77 HydrophobicContact CD1-CE1 4.34Å; L52-F77 HydrophobicContact CD1-CG 4.49Å; L52-F77 HydrophobicContact CD2-CE2 4.21Å; L52-F77 HydrophobicContact CD2-CZ 4.38Å
53H81.7Confident82.6Confident157 Ų15793.9 Ų93.973%0.72745%0.447SS*.THydrogen-bonded Turntrans52.419.6-172.6-56.5-78.3000114.6R49 K50 S51 Q55R49-H53 PolarHBondContact O-N 3.24Å; K50-H53 PolarHBondContact O-N 3.4Å; S51-H53 VanDerWaalsContact C-N 3.28Å; H53-Q55 VanDerWaalsContact C-N 3.33Å; H53-Q55 PolarHBondContact O-N 3.41Å
54F81.5Confident81.5Confident13 Ų1392.4 Ų92.46%0.05746%0.455CS..  trans-95.848.5-179.1-163.1-103.3000111.8R49 L52 K65 I71 F77 L80R49-F54 WeakPolarHBondContact CB-O 3.31Å; R49-F54 WeakPolarHBondContact CD-O 3.2Å; R49-F54 WeakPolarHBondContact CG-O 3.48Å; R49-F54 CarbonylContact O-C 3.47Å; R49-F54 PolarHBondContact O-N 3.04Å; L52-F54 HydrophobicContact CB-CB 4.28Å; L52-F54 PolarHBondContact O-N 2.91Å; F54-K65 HydrophobicContact CD2-CB 4.5Å; F54-K65 HydrophobicContact CD2-CD 4.25Å; F54-K65 HydrophobicContact CE1-CB 3.9Å; F54-K65 HydrophobicContact CE2-CB 3.78Å; F54-K65 HydrophobicContact CE2-CD 4.21Å; F54-K65 HydrophobicContact CZ-CB 3.44Å; F54-K65 VanDerWaalsContact CZ-CB 3.44Å; F54-K65 WeakPolarHBondContact CZ-O 2.98Å; F54-I71 HydrophobicContact CD2-CG2 4.32Å; F54-I71 HydrophobicContact CE2-CD1 4.21Å; F54-I71 HydrophobicContact CE2-CG2 4.22Å; F54-F77 HydrophobicContact CB-CE1 3.96Å; F54-F77 AromaticContact CD2-CE1 3.96Å; F54-F77 HydrophobicContact CD2-CE1 3.96Å; F54-F77 HydrophobicContact CG-CE1 4Å; F54-L80 HydrophobicContact CD1-CD2 3.86Å; F54-L80 HydrophobicContact CE1-CD2 4.41Å
55Q79.7Confident80.6Confident85 Ų8594.4 Ų94.440%0.39746%0.464SS..  trans-78.2132.1-179.5-59.9177.31.600110.7R49 K50 H53 G57 K65R49-Q55 WeakPolarHBondContact O-CG 3.42Å; K50-Q55 HydrophobicContact CG-CG 4.46Å; H53-Q55 VanDerWaalsContact C-N 3.33Å; H53-Q55 PolarHBondContact O-N 3.41Å; Q55-G57 PolarHBondContact O-N 3.41Å; Q55-K65 WeakPolarHBondContact O-CD 3.38Å; Q55-K65 VanDerWaalsContact O-CE 3.24Å; Q55-K65 WeakPolarHBondContact O-CE 3.26Å
56Q77.1Confident79.7Confident48 Ų48102.2 Ų102.222%0.22450%0.498CS..  trans-86.837.2179.9-69.3177.7-18.600112.3V62 V63 K65Q56-V62 CarbonylContact O-C 3.53Å; Q56-V62 WeakPolarHBondContact O-CA 3.42Å; Q56-V63 CarbonylContact C-O 3.6Å; Q56-V63 WeakPolarHBondContact CA-O 3.4Å; Q56-V63 VanDerWaalsContact CB-O 3.31Å; Q56-V63 WeakPolarHBondContact CB-O 3.5Å; Q56-V63 PolarHBondContact O-N 3.34Å; Q56-K65 HydrophobicContact CG-CB 4.16Å; Q56-K65 PolarHBondContact NE2-O 3.49Å; Q56-K65 VanDerWaalsContact NE2-O 3.08Å
57G74.7Confident78.8Confident37 Ų3795.5 Ų95.538%0.38147%0.474SS..EExtended strand (participates in β ladder)trans90.3-167.8-177.500000115.3Q55 K61Q55-G57 PolarHBondContact O-N 3.41Å; G57-K61 WeakPolarHBondContact CA-O 3.45Å
58N75.2Confident77.8Confident121 Ų12189.5 Ų89.565%0.64746%0.458SS*.EExtended strand (participates in β ladder)trans-99.8171.2-175.2-76.8-21.2000111.9S60 K61N58-S60 PolarHBondContact O-N 3.31Å; N58-K61 PolarHBondContact N-O 3.47Å; N58-K61 VanDerWaalsContact N-O 3.1Å; N58-K61 CarbonylContact O-C 3.59Å; N58-K61 PolarHBondContact O-N 3.5Å; N58-K61 VanDerWaalsContact O-N 3.11Å
59R67.8Low76.6Confident261 Ų26190.5 Ų90.599%0.98547%0.466SS*.THydrogen-bonded Turntrans-53.9-30.1-179.8-174.8175.9173.4175.9-2.3113.6
60S73.4Confident75.5Confident117 Ų11795.8 Ų95.882%0.81850%0.497SS*.THydrogen-bonded Turntrans-89.6-25.7-179.853.20000114.6N58N58-S60 PolarHBondContact O-N 3.31Å
61K79.1Confident74.6Confident155 Ų15593.6 Ų93.667%0.67449%0.49SS*.EExtended strand (participates in β ladder)trans-140.9104.3-175.8-169.5176.1-176.8178.40110.2G57 N58G57-K61 WeakPolarHBondContact CA-O 3.45Å; N58-K61 PolarHBondContact N-O 3.47Å; N58-K61 VanDerWaalsContact N-O 3.1Å; N58-K61 CarbonylContact O-C 3.59Å; N58-K61 PolarHBondContact O-N 3.5Å; N58-K61 VanDerWaalsContact O-N 3.11Å
62V76.3Confident73.5Confident106 Ų10690.9 Ų90.964%0.64247%0.47SS*.EExtended strand (participates in β ladder)trans-83.2117.4174.8-178.70000108.6Q56Q56-V62 CarbonylContact O-C 3.53Å; Q56-V62 WeakPolarHBondContact O-CA 3.42Å
63V75.3Confident72.6Confident74 Ų7495.4 Ų95.445%0.44850%0.499SS..  trans-102.2108.4170.6-178.90000107.4Q56 K65Q56-V63 CarbonylContact C-O 3.6Å; Q56-V63 WeakPolarHBondContact CA-O 3.4Å; Q56-V63 VanDerWaalsContact CB-O 3.31Å; Q56-V63 WeakPolarHBondContact CB-O 3.5Å; Q56-V63 PolarHBondContact O-N 3.34Å; V63-K65 PolarHBondContact O-N 2.7Å
64P71Confident72.3Confident101 Ų10189.8 Ų89.866%0.65647%0.474SS*.  trans-69.499.6-177.428.4-33.4000110.1K66P64-K66 PolarHBondContact O-N 3Å
65K72.7Confident72.1Confident92 Ų9291 Ų9140%0.448%0.483SS..  trans-80.8112.8165.6-62.3-170.9177-173.80108.4F54 Q55 Q56 V63F54-K65 HydrophobicContact CD2-CB 4.5Å; F54-K65 HydrophobicContact CD2-CD 4.25Å; F54-K65 HydrophobicContact CE1-CB 3.9Å; F54-K65 HydrophobicContact CE2-CB 3.78Å; F54-K65 HydrophobicContact CE2-CD 4.21Å; F54-K65 HydrophobicContact CZ-CB 3.44Å; F54-K65 VanDerWaalsContact CZ-CB 3.44Å; F54-K65 WeakPolarHBondContact CZ-O 2.98Å; Q55-K65 WeakPolarHBondContact O-CD 3.38Å; Q55-K65 VanDerWaalsContact O-CE 3.24Å; Q55-K65 WeakPolarHBondContact O-CE 3.26Å; Q56-K65 HydrophobicContact CG-CB 4.16Å; Q56-K65 PolarHBondContact NE2-O 3.49Å; Q56-K65 VanDerWaalsContact NE2-O 3.08Å; V63-K65 PolarHBondContact O-N 2.7Å
66K70.7Confident72.3Confident165 Ų16593.4 Ų93.472%0.71749%0.489SS*.  trans-82.4145.5170.9-65.4-177.5-178.71790108.7P64 T68P64-K66 PolarHBondContact O-N 3Å; K66-T68 PolarHBondContact O-N 3.05Å
67L70.3Confident72.6Confident30 Ų3092 Ų9216%0.15748%0.482CS..  trans-71.1121.2170.1-167.569.1000107.2V72 F77 A81 M126L67-V72 HydrophobicContact CD1-CG2 3.97Å; L67-V72 HydrophobicContact CD2-CG2 4.22Å; L67-V72 HydrophobicContact CG-CG2 4.02Å; L67-F77 HydrophobicContact CD1-CB 4.01Å; L67-F77 HydrophobicContact CD1-CD1 3.82Å; L67-F77 HydrophobicContact CD1-CG 4.23Å; L67-A81 HydrophobicContact CD2-CB 4.1Å; L67-M126 HydrophobicContact CB-CE 4.31Å; L67-M126 HydrophobicContact CD2-CE 4.12Å; L67-M126 HydrophobicContact CG-CE 3.88Å
68T70.3Confident73.1Confident57 Ų5790.2 Ų90.235%0.3546%0.464SS..  trans-111.8151.1169.852.30000108.1K66 D70 I71 M126K66-T68 PolarHBondContact O-N 3.05Å; T68-D70 PolarHBondContact O-N 3.45Å; T68-I71 PolarHBondContact O-N 3.32Å; T68-I71 WeakPolarHBondContact OG1-CD1 3.19Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.37Å; T68-M126 VanDerWaalsContact C-CE 3.49Å
69P64Low73.6Confident45 Ų4586 Ų8629%0.29244%0.441SS..G310 helixtrans-56.6-35.9-175.621.9-32.4000111.7I71 V72 M126 D129P69-I71 PolarHBondContact O-N 3.33Å; P69-I71 VanDerWaalsContact O-N 3.13Å; P69-V72 PolarHBondContact O-N 2.83Å; P69-V72 VanDerWaalsContact O-N 3.07Å; P69-M126 HydrophobicContact CB-CE 4.43Å; P69-D129 HydrophobicContact CB-CB 4Å
70D64.7Low74.6Confident145 Ų14573.8 Ų73.878%0.77540%0.395SS*.G310 helixtrans-60.1-24.5178.8-48.5-40.6000114.9T68T68-D70 PolarHBondContact O-N 3.45Å
71I67.6Low75.3Confident62 Ų6269 Ų6932%0.31836%0.362SS..G310 helixtrans-87.5-14.8-177.9-60170.6000111.1F54 T68 P69 T73 F77F54-I71 HydrophobicContact CD2-CG2 4.32Å; F54-I71 HydrophobicContact CE2-CD1 4.21Å; F54-I71 HydrophobicContact CE2-CG2 4.22Å; T68-I71 PolarHBondContact O-N 3.32Å; T68-I71 WeakPolarHBondContact OG1-CD1 3.19Å; T68-I71 WeakPolarHBondContact OG1-CG1 3.37Å; P69-I71 PolarHBondContact O-N 3.33Å; P69-I71 VanDerWaalsContact O-N 3.13Å; I71-T73 PolarHBondContact O-N 2.96Å; I71-F77 HydrophobicContact CG2-CD1 4.5Å; I71-F77 HydrophobicContact CG2-CE1 3.94Å; I71-F77 HydrophobicContact CG2-CZ 4.03Å; I71-F77 WeakPolarHBondContact O-CE2 3.48Å
72V64.2Low75.9Confident13 Ų1361.6 Ų61.68%0.07933%0.33CS..  trans-80.472.9-173.4-170.80000110.2L67 P69 F77 I78 M126 L130L67-V72 HydrophobicContact CD1-CG2 3.97Å; L67-V72 HydrophobicContact CD2-CG2 4.22Å; L67-V72 HydrophobicContact CG-CG2 4.02Å; P69-V72 PolarHBondContact O-N 2.83Å; P69-V72 VanDerWaalsContact O-N 3.07Å; V72-F77 HydrophobicContact CG1-CB 4.23Å; V72-I78 HydrophobicContact CG1-CD1 4.25Å; V72-I78 HydrophobicContact CG1-CG1 4.08Å; V72-M126 HydrophobicContact CG2-CE 4.46Å; V72-L130 HydrophobicContact CB-CD2 3.49Å; V72-L130 VanDerWaalsContact CB-CD2 3.49Å; V72-L130 HydrophobicContact CG1-CD2 3.39Å; V72-L130 HydrophobicContact CG2-CD2 3.93Å
73T67.9Low76.7Confident119 Ų11956.5 Ų56.573%0.7330%0.299SS*.  trans-84-30.8173.7-40.50000112I71I71-T73 PolarHBondContact O-N 2.96Å
74D75.1Confident77.5Confident40 Ų4054.3 Ų54.321%0.21428%0.284CS..SBendtrans-119.4136-174.9-173.9-33.4000110.4R76 F77D74-R76 PolarHBondContact O-N 3.38Å; D74-R76 VanDerWaalsContact OD1-CB 3.29Å; D74-R76 WeakPolarHBondContact OD1-CB 3.34Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.06Å; D74-R76 PolarHBondContact OD1-N 2.58Å; D74-R76 IonicContact OD1-NE 3.74Å; D74-R76 PolarHBondContact OD1-NE 2.9Å; D74-R76 IonicContact OD2-CZ 3.15Å; D74-R76 IonicContact OD2-NE 2.94Å; D74-R76 PolarHBondContact OD2-NE 2.92Å; D74-R76 IonicContact OD2-NH2 2.74Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; D74-F77 HydrophobicContact CB-CD2 4.12Å; D74-F77 HydrophobicContact CB-CE2 4.34Å; D74-F77 WeakPolarHBondContact O-CD2 3.38Å; D74-F77 PolarHBondContact O-N 2.63Å
75P77.3Confident78.5Confident37 Ų3749.5 Ų49.524%0.2425%0.253CS..THydrogen-bonded Turntrans-52.2-23.417320.9-34.4000114.1I14 F77 I78 I79 L132I14-P75 HydrophobicContact CD1-CB 3.56Å; I14-P75 HydrophobicContact CG1-CB 4.23Å; P75-F77 PolarHBondContact O-N 3.2Å; P75-I78 WeakPolarHBondContact O-CB 3.47Å; P75-I78 PolarHBondContact O-N 3.3Å; P75-I79 PolarHBondContact O-N 3.02Å; P75-L132 HydrophobicContact CB-CD2 4.49Å
76R83.6Confident79.5Confident137 Ų13745.1 Ų45.152%0.51723%0.234SC..Hα-helixtrans-59.2-24.5174.1-74.1-175.7-102.7-160.5-12.1114.2M48 L52 D74 I78 L80M48-R76 VanDerWaalsContact CE-O 3.3Å; M48-R76 WeakPolarHBondContact CE-O 3.5Å; L52-R76 HydrophobicContact CD1-CB 4.06Å; L52-R76 HydrophobicContact CD2-CB 3.82Å; L52-R76 HydrophobicContact CG-CB 4.45Å; D74-R76 PolarHBondContact O-N 3.38Å; D74-R76 VanDerWaalsContact OD1-CB 3.29Å; D74-R76 WeakPolarHBondContact OD1-CB 3.34Å; D74-R76 VanDerWaalsContact OD1-CG 3.28Å; D74-R76 WeakPolarHBondContact OD1-CG 3.06Å; D74-R76 PolarHBondContact OD1-N 2.58Å; D74-R76 IonicContact OD1-NE 3.74Å; D74-R76 PolarHBondContact OD1-NE 2.9Å; D74-R76 IonicContact OD2-CZ 3.15Å; D74-R76 IonicContact OD2-NE 2.94Å; D74-R76 PolarHBondContact OD2-NE 2.92Å; D74-R76 IonicContact OD2-NH2 2.74Å; D74-R76 PolarHBondContact OD2-NH2 3.46Å; R76-I78 VanDerWaalsContact C-N 3.34Å; R76-L80 WeakPolarHBondContact O-CB 3.45Å; R76-L80 PolarHBondContact O-N 3.17Å
77F84.1Confident80.7Confident17 Ų1740.6 Ų40.68%0.07521%0.212CC..Hα-helixtrans-68.9-33.9173.6-77.6-77000112.4L52 F54 L67 I71 V72 D74 P75 L80 A81L52-F77 HydrophobicContact CB-CE1 4.21Å; L52-F77 HydrophobicContact CB-CZ 4.12Å; L52-F77 HydrophobicContact CD1-CD1 4.26Å; L52-F77 HydrophobicContact CD1-CE1 4.34Å; L52-F77 HydrophobicContact CD1-CG 4.49Å; L52-F77 HydrophobicContact CD2-CE2 4.21Å; L52-F77 HydrophobicContact CD2-CZ 4.38Å; F54-F77 HydrophobicContact CB-CE1 3.96Å; F54-F77 AromaticContact CD2-CE1 3.96Å; F54-F77 HydrophobicContact CD2-CE1 3.96Å; F54-F77 HydrophobicContact CG-CE1 4Å; L67-F77 HydrophobicContact CD1-CB 4.01Å; L67-F77 HydrophobicContact CD1-CD1 3.82Å; L67-F77 HydrophobicContact CD1-CG 4.23Å; I71-F77 HydrophobicContact CG2-CD1 4.5Å; I71-F77 HydrophobicContact CG2-CE1 3.94Å; I71-F77 HydrophobicContact CG2-CZ 4.03Å; I71-F77 WeakPolarHBondContact O-CE2 3.48Å; V72-F77 HydrophobicContact CG1-CB 4.23Å; D74-F77 HydrophobicContact CB-CD2 4.12Å; D74-F77 HydrophobicContact CB-CE2 4.34Å; D74-F77 WeakPolarHBondContact O-CD2 3.38Å; D74-F77 PolarHBondContact O-N 2.63Å; P75-F77 PolarHBondContact O-N 3.2Å; F77-L80 VanDerWaalsContact O-CB 3.31Å; F77-L80 WeakPolarHBondContact O-CB 3.34Å; F77-L80 PolarHBondContact O-N 2.81Å; F77-A81 PolarHBondContact O-N 3.34Å
78I84Confident81.8Confident0 Ų039.4 Ų39.40%021%0.206CC..Hα-helixtrans-70.6-43.6176.3-60.3166.7000109.2I14 V72 P75 R76 L80 A81 I82 L130 L133 L141I14-I78 HydrophobicContact CD1-CB 4.3Å; I14-I78 HydrophobicContact CD1-CD1 4.46Å; I14-I78 HydrophobicContact CD1-CG2 4.42Å; V72-I78 HydrophobicContact CG1-CD1 4.25Å; V72-I78 HydrophobicContact CG1-CG1 4.08Å; P75-I78 WeakPolarHBondContact O-CB 3.47Å; P75-I78 PolarHBondContact O-N 3.3Å; R76-I78 VanDerWaalsContact C-N 3.34Å; I78-L80 VanDerWaalsContact C-N 3.25Å; I78-L80 PolarHBondContact O-N 3.03Å; I78-A81 WeakPolarHBondContact O-CB 3.42Å; I78-A81 PolarHBondContact O-N 3.17Å; I78-I82 HydrophobicContact CG2-CD1 3.97Å; I78-I82 WeakPolarHBondContact O-CG1 3.41Å; I78-I82 PolarHBondContact O-N 3.11Å; I78-L130 HydrophobicContact CD1-CD1 4.36Å; I78-L133 HydrophobicContact CD1-CD1 3.86Å; I78-L133 HydrophobicContact CD1-CD2 3.43Å; I78-L133 VanDerWaalsContact CD1-CD2 3.43Å; I78-L133 HydrophobicContact CD1-CG 3.65Å; I78-L141 HydrophobicContact CG2-CD1 4.43Å
79I87.4Confident82.9Confident34 Ų3437.2 Ų37.217%0.17419%0.192CC..Hα-helixtrans-57.8-39.6171.8-62.7174.8000111.3I14 L19 M48 P75 I82 F83I14-I79 HydrophobicContact CD1-CG1 4.42Å; I14-I79 HydrophobicContact CG2-CD1 4.36Å; I14-I79 HydrophobicContact CG2-CG1 4.1Å; L19-I79 HydrophobicContact CD2-CB 4.35Å; L19-I79 HydrophobicContact CD2-CD1 4.18Å; L19-I79 HydrophobicContact CD2-CG1 3.9Å; L19-I79 HydrophobicContact CD2-CG2 3.73Å; M48-I79 HydrophobicContact CE-CB 4.17Å; M48-I79 HydrophobicContact CE-CG2 3.87Å; M48-I79 HydrophobicContact SD-CG2 4.25Å; P75-I79 PolarHBondContact O-N 3.02Å; I79-I82 PolarHBondContact O-N 2.98Å; I79-F83 HydrophobicContact CG2-CD2 3.52Å; I79-F83 HydrophobicContact CG2-CE2 3.31Å; I79-F83 HydrophobicContact CG2-CZ 4.41Å; I79-F83 VanDerWaalsContact O-CD2 3.24Å; I79-F83 WeakPolarHBondContact O-CD2 3.25Å; I79-F83 PolarHBondContact O-N 3.35Å
80L88.5Confident84.3Confident4 Ų435.1 Ų35.12%0.02118%0.178CC..Hα-helixtrans-60.6-45.5174.7-171.777.3000111.1L45 M48 R49 F54 R76 F77 I78 F83 E84L45-L80 HydrophobicContact CD2-CD1 3.57Å; L45-L80 HydrophobicContact CD2-CG 4.17Å; L45-L80 WeakPolarHBondContact CD2-O 3.42Å; M48-L80 HydrophobicContact CB-CD1 3.67Å; M48-L80 HydrophobicContact CE-CB 3.9Å; M48-L80 HydrophobicContact CE-CD1 4.09Å; M48-L80 HydrophobicContact SD-CD1 4.44Å; R49-L80 HydrophobicContact CG-CD1 3.82Å; R49-L80 HydrophobicContact CG-CD2 4.03Å; F54-L80 HydrophobicContact CD1-CD2 3.86Å; F54-L80 HydrophobicContact CE1-CD2 4.41Å; R76-L80 WeakPolarHBondContact O-CB 3.45Å; R76-L80 PolarHBondContact O-N 3.17Å; F77-L80 VanDerWaalsContact O-CB 3.31Å; F77-L80 WeakPolarHBondContact O-CB 3.34Å; F77-L80 PolarHBondContact O-N 2.81Å; I78-L80 VanDerWaalsContact C-N 3.25Å; I78-L80 PolarHBondContact O-N 3.03Å; L80-F83 PolarHBondContact O-N 3.38Å; L80-E84 WeakPolarHBondContact O-CG 3.42Å; L80-E84 PolarHBondContact O-N 3.37Å
81A88.6Confident85.7Confident15 Ų1530.9 Ų30.912%0.12415%0.152CC..Hα-helixtrans-64.3-44.1178.200000112.4L67 F77 I78 F83 E84 I85 L123L67-A81 HydrophobicContact CD2-CB 4.1Å; F77-A81 PolarHBondContact O-N 3.34Å; I78-A81 WeakPolarHBondContact O-CB 3.42Å; I78-A81 PolarHBondContact O-N 3.17Å; A81-F83 PolarHBondContact O-N 2.97Å; A81-E84 WeakPolarHBondContact O-CB 3.22Å; A81-E84 PolarHBondContact O-N 2.94Å; A81-E84 VanDerWaalsContact O-N 3.09Å; A81-I85 WeakPolarHBondContact O-CG1 3.43Å; A81-I85 PolarHBondContact O-N 2.9Å; A81-I85 VanDerWaalsContact O-N 3.09Å; A81-L123 HydrophobicContact CB-CD1 3.81Å; A81-L123 HydrophobicContact CB-CD2 4.08Å; A81-L123 HydrophobicContact CB-CG 4.47Å
82I90.5Very high86.9Confident0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-57.5-48.8174.6-65.8158.6000110.3V16 V20 I78 I79 E84 I85 E86 L123 L141V16-I82 HydrophobicContact CB-CD1 4.34Å; V16-I82 HydrophobicContact CG1-CD1 3.83Å; V16-I82 HydrophobicContact CG1-CG1 4.29Å; V16-I82 HydrophobicContact CG1-CG2 4.19Å; V16-I82 HydrophobicContact CG2-CD1 3.75Å; V20-I82 HydrophobicContact CG2-CG2 3.73Å; I78-I82 HydrophobicContact CG2-CD1 3.97Å; I78-I82 WeakPolarHBondContact O-CG1 3.41Å; I78-I82 PolarHBondContact O-N 3.11Å; I79-I82 PolarHBondContact O-N 2.98Å; I82-E84 VanDerWaalsContact C-N 3.27Å; I82-E84 PolarHBondContact O-N 3.29Å; I82-I85 WeakPolarHBondContact O-CB 3.45Å; I82-I85 PolarHBondContact O-N 3.08Å; I82-I85 VanDerWaalsContact O-N 3.1Å; I82-E86 PolarHBondContact O-N 2.85Å; I82-L123 HydrophobicContact CG1-CD2 3.99Å; I82-L141 HydrophobicContact CD1-CD2 4.03Å; I82-L141 HydrophobicContact CG1-CD2 3.98Å
83F92.6Very high88.2Confident0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-66.4-26.4177.4-77-50000113.2L19 A23 I41 K44 L45 M48 I79 L80 A81 I85 R87L19-F83 HydrophobicContact CD1-CZ 4.19Å; L19-F83 HydrophobicContact CD2-CE2 4.26Å; L19-F83 HydrophobicContact CD2-CZ 4.19Å; L19-F83 HydrophobicContact CG-CE2 4.49Å; L19-F83 HydrophobicContact CG-CZ 3.98Å; A23-F83 HydrophobicContact CB-CE1 4.01Å; A23-F83 HydrophobicContact CB-CZ 4.38Å; I41-F83 HydrophobicContact CG2-CB 4.04Å; I41-F83 HydrophobicContact CG2-CD1 4.38Å; I41-F83 VanDerWaalsContact CG2-O 3.22Å; I41-F83 WeakPolarHBondContact CG2-O 3.22Å; K44-F83 HydrophobicContact CD-CD2 4.07Å; K44-F83 HydrophobicContact CD-CE1 4.39Å; K44-F83 HydrophobicContact CD-CE2 3.8Å; K44-F83 HydrophobicContact CD-CZ 4.01Å; K44-F83 VanDerWaalsContact CE-CE2 3.41Å; L45-F83 HydrophobicContact CD2-CB 3.61Å; L45-F83 HydrophobicContact CG-CB 4.09Å; M48-F83 HydrophobicContact SD-CD2 3.99Å; M48-F83 HydrophobicContact SD-CE2 4.42Å; I79-F83 HydrophobicContact CG2-CD2 3.52Å; I79-F83 HydrophobicContact CG2-CE2 3.31Å; I79-F83 HydrophobicContact CG2-CZ 4.41Å; I79-F83 VanDerWaalsContact O-CD2 3.24Å; I79-F83 WeakPolarHBondContact O-CD2 3.25Å; I79-F83 PolarHBondContact O-N 3.35Å; L80-F83 PolarHBondContact O-N 3.38Å; A81-F83 PolarHBondContact O-N 2.97Å; F83-I85 VanDerWaalsContact C-N 3.35Å; F83-R87 WeakPolarHBondContact O-CB 3.22Å; F83-R87 PolarHBondContact O-N 3.42Å
84E91.6Very high89.3Confident27 Ų2723.3 Ų23.313%0.12611%0.106CC..Hα-helixtrans-68.3-34.8171.7-78.6-161.7-167.900113.3L45 R49 L80 A81 I82 S88 R119L45-E84 HydrophobicContact CD1-CG 4.11Å; L45-E84 HydrophobicContact CD2-CG 3.89Å; R49-E84 IonicContact CZ-OE1 3.13Å; R49-E84 IonicContact NE-OE1 2.96Å; R49-E84 VanDerWaalsContact NH2-CD 3.29Å; R49-E84 IonicContact NH2-OE1 3.52Å; R49-E84 PolarHBondContact NH2-OE1 3.44Å; L80-E84 WeakPolarHBondContact O-CG 3.42Å; L80-E84 PolarHBondContact O-N 3.37Å; A81-E84 WeakPolarHBondContact O-CB 3.22Å; A81-E84 PolarHBondContact O-N 2.94Å; A81-E84 VanDerWaalsContact O-N 3.09Å; I82-E84 VanDerWaalsContact C-N 3.27Å; I82-E84 PolarHBondContact O-N 3.29Å; E84-S88 PolarHBondContact O-N 3.29Å; E84-S88 PolarHBondContact O-OG 3.41Å; E84-R119 PolarHBondContact O-NH1 2.69Å; E84-R119 IonicContact OE2-CZ 2.86Å; E84-R119 IonicContact OE2-NE 3.36Å; E84-R119 IonicContact OE2-NH1 2.84Å; E84-R119 IonicContact OE2-NH2 3.48Å; E84-R119 PolarHBondContact OE2-NH2 3.2Å
85I93.3Very high90.1Very high1 Ų121.6 Ų21.61%0.00510%0.097CC..Hα-helixtrans-68.6-53.7173.6-62.1161.2000108.7A81 I82 F83 R87 S88 W89 A116 R119 A120 L123 Y144 I148A81-I85 WeakPolarHBondContact O-CG1 3.43Å; A81-I85 PolarHBondContact O-N 2.9Å; A81-I85 VanDerWaalsContact O-N 3.09Å; I82-I85 WeakPolarHBondContact O-CB 3.45Å; I82-I85 PolarHBondContact O-N 3.08Å; I82-I85 VanDerWaalsContact O-N 3.1Å; F83-I85 VanDerWaalsContact C-N 3.35Å; I85-R87 VanDerWaalsContact C-N 3.27Å; I85-R87 PolarHBondContact O-N 2.93Å; I85-S88 WeakPolarHBondContact O-CA 3.44Å; I85-S88 WeakPolarHBondContact O-CB 3.33Å; I85-S88 PolarHBondContact O-N 3.37Å; I85-W89 PolarHBondContact O-N 3.48Å; I85-A116 HydrophobicContact CG2-CB 4.2Å; I85-R119 HydrophobicContact CD1-CB 4.45Å; I85-R119 HydrophobicContact CG1-CB 3.58Å; I85-A120 HydrophobicContact CD1-CB 3.93Å; I85-A120 HydrophobicContact CG1-CB 4.48Å; I85-A120 HydrophobicContact CG2-CB 4.44Å; I85-L123 HydrophobicContact CD1-CB 4.48Å; I85-L123 HydrophobicContact CD1-CD2 3.91Å; I85-Y144 HydrophobicContact CB-CE1 4.17Å; I85-Y144 HydrophobicContact CD1-CE1 4.11Å; I85-Y144 HydrophobicContact CG2-CE1 3.75Å; I85-Y144 WeakPolarHBondContact CG2-OH 3.42Å; I85-I148 HydrophobicContact CG2-CD1 3.15Å
86E93.9Very high90.6Very high0 Ų022.5 Ų22.50%010%0.097CC..Hα-helixtrans-54.4-40.7177.2-84-62.7140.100112V20 Q24 Y37 I41 I82 S88 W89 A90 Y144V20-E86 HydrophobicContact CG1-CG 4.2Å; V20-E86 WeakPolarHBondContact CG1-OE1 3.34Å; V20-E86 HydrophobicContact CG2-CG 4.13Å; Q24-E86 PolarHBondContact NE2-OE1 3.27Å; Q24-E86 PolarHBondContact NE2-OE2 3.39Å; Q24-E86 VanDerWaalsContact NE2-OE2 3.1Å; Y37-E86 WeakPolarHBondContact CE1-OE2 3.48Å; Y37-E86 PolarHBondContact OH-OE2 3.07Å; I41-E86 HydrophobicContact CD1-CB 3.86Å; I82-E86 PolarHBondContact O-N 2.85Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 2.94Å; E86-W89 PolarHBondContact O-N 2.98Å; E86-W89 WeakPolarHBondContact OE2-CZ3 3.5Å; E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 3.28Å; E86-Y144 VanDerWaalsContact CG-OH 3.3Å; E86-Y144 WeakPolarHBondContact CG-OH 3.32Å; E86-Y144 WeakPolarHBondContact OE1-CE2 3.42Å; E86-Y144 PolarHBondContact OE1-OH 3.24Å
87R95Very high90.7Very high69 Ų6919.1 Ų19.126%0.2610%0.098SC..Hα-helixtrans-59.3-41.2175.4-169.4-173.153.51351.4112I41 S42 L45 F83 I85 Y91I41-R87 HydrophobicContact CB-CB 4.4Å; I41-R87 HydrophobicContact CG2-CB 3.72Å; I41-R87 HydrophobicContact CG2-CG 4.31Å; S42-R87 VanDerWaalsContact OG-CD 3.3Å; S42-R87 WeakPolarHBondContact OG-CD 3.27Å; L45-R87 HydrophobicContact CD1-CB 4Å; L45-R87 HydrophobicContact CD1-CG 4.38Å; F83-R87 WeakPolarHBondContact O-CB 3.22Å; F83-R87 PolarHBondContact O-N 3.42Å; I85-R87 VanDerWaalsContact C-N 3.27Å; I85-R87 PolarHBondContact O-N 2.93Å; R87-Y91 VanDerWaalsContact O-CB 3.31Å; R87-Y91 WeakPolarHBondContact O-CB 3.29Å; R87-Y91 PolarHBondContact O-N 3.1Å
88S93.7Very high90.8Very high5 Ų520.9 Ų20.94%0.03511%0.107CC..Hα-helixtrans-71.2-39.3-177.8-48.40000110.4E84 I85 E86 A92 R119E84-S88 PolarHBondContact O-N 3.29Å; E84-S88 PolarHBondContact O-OG 3.41Å; I85-S88 WeakPolarHBondContact O-CA 3.44Å; I85-S88 WeakPolarHBondContact O-CB 3.33Å; I85-S88 PolarHBondContact O-N 3.37Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 2.94Å; S88-A92 PolarHBondContact O-N 2.53Å; S88-R119 PolarHBondContact OG-NH1 3.08Å
89W94.5Very high90.7Very high12 Ų1222.2 Ų22.25%0.04512%0.116CC..Hα-helixtrans-65.4-52.3172.9171.280.1000112.4L29 Y34 Y37 I85 E86 Y91 A92 M93 W147L29-W89 HydrophobicContact CD2-CH2 4.02Å; Y34-W89 AromaticContact CE1-CH2 3.98Å; Y34-W89 HydrophobicContact CE1-CH2 3.98Å; Y34-W89 HydrophobicContact CE1-CZ2 4.22Å; Y37-W89 HydrophobicContact CD1-CZ3 4.24Å; Y37-W89 HydrophobicContact CE1-CE3 4.37Å; Y37-W89 AromaticContact CE1-CZ3 3.9Å; Y37-W89 HydrophobicContact CE1-CZ3 3.9Å; I85-W89 PolarHBondContact O-N 3.48Å; E86-W89 PolarHBondContact O-N 2.98Å; E86-W89 WeakPolarHBondContact OE2-CZ3 3.5Å; W89-Y91 VanDerWaalsContact C-N 3.26Å; W89-Y91 PolarHBondContact O-N 3.39Å; W89-A92 CarbonylContact O-C 3.5Å; W89-A92 WeakPolarHBondContact O-CA 3.35Å; W89-A92 VanDerWaalsContact O-CB 3.32Å; W89-A92 WeakPolarHBondContact O-CB 3.37Å; W89-A92 PolarHBondContact O-N 3.25Å; W89-M93 HydrophobicContact CD2-CG 4.2Å; W89-M93 HydrophobicContact CZ2-CG 3.94Å; W89-M93 WeakPolarHBondContact O-CG 3.35Å; W89-M93 PolarHBondContact O-N 2.96Å; W89-W147 HydrophobicContact CD2-CH2 4.39Å; W89-W147 AromaticContact CE2-CH2 3.91Å; W89-W147 HydrophobicContact CZ2-CH2 4.01Å; W89-W147 HydrophobicContact CZ2-CZ2 4.37Å
90A92.5Very high90.2Very high0 Ų025.6 Ų25.60%014%0.143CC..Hα-helixtrans-57.8-39.3178.900000111.8Y37 H38 I41 E86 M93 Q94Y37-A90 HydrophobicContact CD1-CB 3.63Å; Y37-A90 HydrophobicContact CE1-CB 4.09Å; H38-A90 HydrophobicContact CB-CB 4.01Å; I41-A90 HydrophobicContact CD1-CB 4.15Å; E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 3.28Å; A90-M93 PolarHBondContact O-N 3.22Å; A90-Q94 WeakPolarHBondContact O-CB 2.93Å; A90-Q94 PolarHBondContact O-N 3.41Å
91Y94.4Very high89.7Confident56 Ų5630.8 Ų30.822%0.2218%0.175CC..Hα-helixtrans-68-38.8174-171.3-164.2000112.3H38 R87 W89 M93 Q94 L95 Q108 R112H38-Y91 AromaticContact CE1-CD1 3.78Å; H38-Y91 AromaticContact CE1-CD2 3.5Å; H38-Y91 AromaticContact CE1-CG 3.33Å; H38-Y91 AromaticContact ND1-CD2 3.64Å; H38-Y91 AromaticContact ND1-CG 3.76Å; H38-Y91 AromaticContact NE2-CG 3.88Å; R87-Y91 VanDerWaalsContact O-CB 3.31Å; R87-Y91 WeakPolarHBondContact O-CB 3.29Å; R87-Y91 PolarHBondContact O-N 3.1Å; W89-Y91 VanDerWaalsContact C-N 3.26Å; W89-Y91 PolarHBondContact O-N 3.39Å; Y91-M93 VanDerWaalsContact C-N 3.34Å; Y91-Q94 PolarHBondContact O-N 2.84Å; Y91-L95 HydrophobicContact CD2-CD1 4.04Å; Y91-L95 HydrophobicContact CD2-CG 3.94Å; Y91-L95 HydrophobicContact CE2-CD1 3.78Å; Y91-L95 HydrophobicContact CE2-CD2 3.88Å; Y91-L95 HydrophobicContact CE2-CG 3.68Å; Y91-L95 HydrophobicContact CG-CD1 4.49Å; Y91-L95 VanDerWaalsContact O-CG 3.32Å; Y91-L95 WeakPolarHBondContact O-CG 3.42Å; Y91-L95 PolarHBondContact O-N 3.42Å; Y91-Q108 PolarHBondContact OH-NE2 2.88Å; Y91-R112 HydrophobicContact CD1-CG 3.96Å; Y91-R112 VanDerWaalsContact CD1-NE 3.34Å; Y91-R112 HydrophobicContact CE1-CG 4.35Å; Y91-R112 HydrophobicContact CG-CG 4.47Å
92A93.1Very high89.2Confident0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-61.1-44.9173.300000111.4S88 W89 Q94 L95 K96 M109 R112 L113S88-A92 PolarHBondContact O-N 2.53Å; W89-A92 CarbonylContact O-C 3.5Å; W89-A92 WeakPolarHBondContact O-CA 3.35Å; W89-A92 VanDerWaalsContact O-CB 3.32Å; W89-A92 WeakPolarHBondContact O-CB 3.37Å; W89-A92 PolarHBondContact O-N 3.25Å; A92-Q94 PolarHBondContact O-N 3.15Å; A92-L95 CarbonylContact O-C 3.55Å; A92-L95 WeakPolarHBondContact O-CB 3.15Å; A92-L95 PolarHBondContact O-N 2.97Å; A92-L95 VanDerWaalsContact O-N 3.14Å; A92-K96 PolarHBondContact O-N 3.35Å; A92-M109 HydrophobicContact CB-CG 4.08Å; A92-M109 WeakPolarHBondContact O-CG 3.15Å; A92-R112 HydrophobicContact CB-CB 3.88Å; A92-L113 HydrophobicContact CB-CD1 4.41Å; A92-L113 HydrophobicContact CB-CD2 3.59Å; A92-L113 HydrophobicContact CB-CG 3.55Å
93M90.8Very high88.7Confident10 Ų1041.5 Ų41.55%0.04923%0.225CC..Hα-helixtrans-67-34.8178.5-64.6-60.5106.500112.8Y34 W89 A90 Y91 K96 A97 L113 I151Y34-M93 HydrophobicContact CD1-CB 3.24Å; Y34-M93 HydrophobicContact CD1-CG 4.04Å; Y34-M93 HydrophobicContact CD2-CB 4.08Å; Y34-M93 HydrophobicContact CE1-CB 3.37Å; Y34-M93 HydrophobicContact CE1-CG 3.74Å; Y34-M93 HydrophobicContact CE2-CB 4.21Å; Y34-M93 HydrophobicContact CG-CB 3.61Å; W89-M93 HydrophobicContact CD2-CG 4.2Å; W89-M93 HydrophobicContact CZ2-CG 3.94Å; W89-M93 WeakPolarHBondContact O-CG 3.35Å; W89-M93 PolarHBondContact O-N 2.96Å; A90-M93 PolarHBondContact O-N 3.22Å; Y91-M93 VanDerWaalsContact C-N 3.34Å; M93-K96 HydrophobicContact CE-CD 4.48Å; M93-K96 WeakPolarHBondContact O-CB 3.35Å; M93-K96 PolarHBondContact O-N 2.93Å; M93-K96 HydrophobicContact SD-CD 4.26Å; M93-A97 PolarHBondContact O-N 3.48Å; M93-A97 VanDerWaalsContact O-N 3.12Å; M93-L113 HydrophobicContact CE-CD1 4.22Å; M93-L113 HydrophobicContact CE-CD2 4.05Å; M93-I151 HydrophobicContact CE-CG2 4.21Å
94Q91.2Very high88.3Confident26 Ų2651.8 Ų51.812%0.12126%0.264CS..Hα-helixtrans-58.2-49168.1-179.6-166.2-18.900110.9Q35 H38 A90 Y91 A92 K96 A97 E98Q35-Q94 HydrophobicContact CB-CG 4.17Å; H38-Q94 PolarHBondContact ND1-OE1 3.31Å; A90-Q94 WeakPolarHBondContact O-CB 2.93Å; A90-Q94 PolarHBondContact O-N 3.41Å; Y91-Q94 PolarHBondContact O-N 2.84Å; A92-Q94 PolarHBondContact O-N 3.15Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 2.99Å; Q94-A97 PolarHBondContact O-N 3.14Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.36Å; Q94-E98 PolarHBondContact NE2-OE1 3.19Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 3.37Å
95L91.3Very high88Confident3 Ų352.5 Ų52.52%0.01627%0.267CS..Hα-helixtrans-64.8-30.1178-69.1169.1000112.5Y91 A92 E98 S99 K105 Q108 M109 R112Y91-L95 HydrophobicContact CD2-CD1 4.04Å; Y91-L95 HydrophobicContact CD2-CG 3.94Å; Y91-L95 HydrophobicContact CE2-CD1 3.78Å; Y91-L95 HydrophobicContact CE2-CD2 3.88Å; Y91-L95 HydrophobicContact CE2-CG 3.68Å; Y91-L95 HydrophobicContact CG-CD1 4.49Å; Y91-L95 VanDerWaalsContact O-CG 3.32Å; Y91-L95 WeakPolarHBondContact O-CG 3.42Å; Y91-L95 PolarHBondContact O-N 3.42Å; A92-L95 CarbonylContact O-C 3.55Å; A92-L95 WeakPolarHBondContact O-CB 3.15Å; A92-L95 PolarHBondContact O-N 2.97Å; A92-L95 VanDerWaalsContact O-N 3.14Å; L95-E98 PolarHBondContact O-N 2.65Å; L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.47Å; L95-K105 HydrophobicContact CD2-CB 4.44Å; L95-K105 HydrophobicContact CD2-CD 4.33Å; L95-K105 HydrophobicContact CD2-CG 4.5Å; L95-Q108 HydrophobicContact CD1-CB 3.99Å; L95-Q108 HydrophobicContact CD1-CG 3.68Å; L95-M109 HydrophobicContact CB-CB 3.97Å; L95-R112 HydrophobicContact CD1-CG 4.12Å
96K87.9Confident87.6Confident57 Ų5757 Ų5725%0.24828%0.284CS..Hα-helixtrans-61-49.9172.5-170.4178.9175.8179.40110.5A92 M93 Q94 E98 S99 M109 E155A92-K96 PolarHBondContact O-N 3.35Å; M93-K96 HydrophobicContact CE-CD 4.48Å; M93-K96 WeakPolarHBondContact O-CB 3.35Å; M93-K96 PolarHBondContact O-N 2.93Å; M93-K96 HydrophobicContact SD-CD 4.26Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 2.99Å; K96-E98 VanDerWaalsContact C-N 3.32Å; K96-E98 PolarHBondContact O-N 2.68Å; K96-S99 PolarHBondContact O-N 2.97Å; K96-S99 VanDerWaalsContact O-N 3.14Å; K96-S99 PolarHBondContact O-OG 3Å; K96-M109 HydrophobicContact CB-CG 4.46Å; K96-M109 HydrophobicContact CB-SD 3.48Å; K96-M109 WeakPolarHBondContact CB-SD 3.39Å; K96-M109 HydrophobicContact CD-SD 4.29Å; K96-M109 HydrophobicContact CG-SD 3.74Å; K96-E155 VanDerWaalsContact CE-OE1 3.3Å; K96-E155 WeakPolarHBondContact CE-OE1 3.24Å; K96-E155 IonicContact NZ-OE1 3.52Å; K96-E155 PolarHBondContact NZ-OE1 2.56Å; K96-E155 IonicContact NZ-OE2 2.98Å
97A85.4Confident87.4Confident66 Ų6665 Ų6555%0.54532%0.319SS..Hα-helixtrans-59.8-42.917700000111.7M93 Q94 S99 S100M93-A97 PolarHBondContact O-N 3.48Å; M93-A97 VanDerWaalsContact O-N 3.12Å; Q94-A97 PolarHBondContact O-N 3.14Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 3.09Å; A97-S100 PolarHBondContact O-OG 3.04Å
98E86.5Confident87.1Confident53 Ų5365.2 Ų65.225%0.24832%0.323CS..Hα-helixtrans-73.1-18177.4-65.7177.3-155.300114.1Q94 L95 K96 S100 T101 E102 K105Q94-E98 WeakPolarHBondContact CG-OE1 3.36Å; Q94-E98 PolarHBondContact NE2-OE1 3.19Å; Q94-E98 WeakPolarHBondContact O-CG 3.32Å; Q94-E98 PolarHBondContact O-N 3.37Å; L95-E98 PolarHBondContact O-N 2.65Å; K96-E98 VanDerWaalsContact C-N 3.32Å; K96-E98 PolarHBondContact O-N 2.68Å; E98-S100 PolarHBondContact O-N 3.11Å; E98-T101 PolarHBondContact O-N 3.46Å; E98-T101 PolarHBondContact O-OG1 3.47Å; E98-T101 VanDerWaalsContact O-OG1 3.06Å; E98-E102 PolarHBondContact O-N 3.13Å; E98-K105 HydrophobicContact CB-CD 3.7Å; E98-K105 WeakPolarHBondContact OE2-CE 3.45Å; E98-K105 IonicContact OE2-NZ 2.91Å; E98-K105 PolarHBondContact OE2-NZ 3.02Å
99S82.9Confident87Confident28 Ų2865 Ų6520%0.19632%0.321CS..THydrogen-bonded Turntrans-73-13.6-179.672.10000113.6L95 K96 A97 T101 E102L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.42Å; L95-S99 PolarHBondContact O-N 3.47Å; K96-S99 PolarHBondContact O-N 2.97Å; K96-S99 VanDerWaalsContact O-N 3.14Å; K96-S99 PolarHBondContact O-OG 3Å; A97-S99 VanDerWaalsContact C-N 3.32Å; A97-S99 PolarHBondContact O-N 3.09Å; S99-T101 PolarHBondContact O-N 3.26Å; S99-E102 WeakPolarHBondContact CA-O 3.39Å; S99-E102 CarbonylContact O-C 3.55Å; S99-E102 PolarHBondContact O-N 3.26Å
100S75.8Confident86.8Confident105 Ų10565 Ų6573%0.73432%0.323SS*.THydrogen-bonded Turntrans-59.3-31.2172.158.30000112.6A97 E98A97-S100 PolarHBondContact O-OG 3.04Å; E98-S100 PolarHBondContact O-N 3.11Å
101T77.5Confident86.8Confident114 Ų11467.7 Ų67.770%0.69934%0.341SS*.THydrogen-bonded Turntrans-97.8-35.3175.158.90000112.4E98 S99E98-T101 PolarHBondContact O-N 3.46Å; E98-T101 PolarHBondContact O-OG1 3.47Å; E98-T101 VanDerWaalsContact O-OG1 3.06Å; S99-T101 PolarHBondContact O-N 3.26Å
102E79.2Confident86.8Confident99 Ų9968.4 Ų68.446%0.46334%0.344SS..  trans-124.696.3-176.6-69.8-179.1-138.300112.4E98 S99 R104 K105E98-E102 PolarHBondContact O-N 3.13Å; S99-E102 WeakPolarHBondContact CA-O 3.39Å; S99-E102 CarbonylContact O-C 3.55Å; S99-E102 PolarHBondContact O-N 3.26Å; E102-R104 PolarHBondContact O-N 3.37Å; E102-K105 HydrophobicContact CB-CD 4.03Å; E102-K105 HydrophobicContact CB-CG 4Å; E102-K105 WeakPolarHBondContact O-CB 3.49Å; E102-K105 PolarHBondContact O-N 3.19Å; E102-K105 IonicContact OE1-NZ 3.92Å; E102-K105 PolarHBondContact OE1-NZ 2.94Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 3.32Å
103I80.4Confident86.8Confident141 Ų14168.4 Ų68.472%0.72334%0.344SS*.THydrogen-bonded Turntrans-53.3-32.5179.9-59.9164.4000112.1K105 R106I103-K105 PolarHBondContact O-N 3.43Å; I103-R106 WeakPolarHBondContact O-CB 3.49Å; I103-R106 PolarHBondContact O-N 2.9Å; I103-R106 VanDerWaalsContact O-N 3.09Å
104R84.1Confident87Confident216 Ų21674.5 Ų74.582%0.81537%0.366SS*.THydrogen-bonded Turntrans-60-29.4178.6-67.2-176.6-179.6-1770.7113.1E102 R106 F107E102-R104 PolarHBondContact O-N 3.37Å; R104-R106 PolarHBondContact O-N 3.23Å; R104-F107 PolarHBondContact O-N 3.31Å
105K84.9Confident87.1Confident41 Ų4177.6 Ų77.618%0.17838%0.379CS..Hα-helixtrans-66.3-18.8178.1-69.2-176.9177170.70112.8L95 E98 E102 I103 F107 Q108 M109L95-K105 HydrophobicContact CD2-CB 4.44Å; L95-K105 HydrophobicContact CD2-CD 4.33Å; L95-K105 HydrophobicContact CD2-CG 4.5Å; E98-K105 HydrophobicContact CB-CD 3.7Å; E98-K105 WeakPolarHBondContact OE2-CE 3.45Å; E98-K105 IonicContact OE2-NZ 2.91Å; E98-K105 PolarHBondContact OE2-NZ 3.02Å; E102-K105 HydrophobicContact CB-CD 4.03Å; E102-K105 HydrophobicContact CB-CG 4Å; E102-K105 WeakPolarHBondContact O-CB 3.49Å; E102-K105 PolarHBondContact O-N 3.19Å; E102-K105 IonicContact OE1-NZ 3.92Å; E102-K105 PolarHBondContact OE1-NZ 2.94Å; E102-K105 WeakPolarHBondContact OE2-CE 3.42Å; E102-K105 IonicContact OE2-NZ 3.32Å; I103-K105 PolarHBondContact O-N 3.43Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 3.01Å; K105-Q108 WeakPolarHBondContact O-CB 3.34Å; K105-Q108 PolarHBondContact O-N 2.93Å; K105-Q108 VanDerWaalsContact O-N 3.15Å; K105-M109 PolarHBondContact O-N 3.37Å
106R85Confident87.3Confident97 Ų9777.5 Ų77.537%0.36638%0.379SS..Hα-helixtrans-60.1-40.7175.7-169.7176.9178.4145.2-1.7112.7I103 R104 Q108 M109 C110 E155 Q157I103-R106 WeakPolarHBondContact O-CB 3.49Å; I103-R106 PolarHBondContact O-N 2.9Å; I103-R106 VanDerWaalsContact O-N 3.09Å; R104-R106 PolarHBondContact O-N 3.23Å; R106-Q108 VanDerWaalsContact C-N 3.29Å; R106-Q108 PolarHBondContact O-N 3.45Å; R106-M109 HydrophobicContact CG-CE 3.94Å; R106-M109 WeakPolarHBondContact O-CB 3.38Å; R106-M109 PolarHBondContact O-N 2.94Å; R106-C110 PolarHBondContact O-N 3.08Å; R106-C110 PolarHBondContact O-SG 3.2Å; R106-E155 PolarHBondContact NH2-O 3.01Å; R106-E155 VanDerWaalsContact NH2-O 3.08Å; R106-Q157 VanDerWaalsContact NH2-NE2 3.17Å
107F88.3Confident87.6Confident167 Ų16775.1 Ų75.173%0.73237%0.369SS*.Hα-helixtrans-62.5-40176.5-67.8-75.9000111.7R104 K105 C110 S111R104-F107 PolarHBondContact O-N 3.31Å; K105-F107 VanDerWaalsContact C-N 3.34Å; K105-F107 PolarHBondContact O-N 3.01Å; F107-C110 PolarHBondContact O-N 3.5Å; F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 2.83Å
108Q89.6Confident88Confident73 Ų7374.6 Ų74.634%0.34137%0.365SS..Hα-helixtrans-68.8-39.5177.4-164.9179.216.900111.6Y91 L95 K105 R106 S111 R112Y91-Q108 PolarHBondContact OH-NE2 2.88Å; L95-Q108 HydrophobicContact CD1-CB 3.99Å; L95-Q108 HydrophobicContact CD1-CG 3.68Å; K105-Q108 WeakPolarHBondContact O-CB 3.34Å; K105-Q108 PolarHBondContact O-N 2.93Å; K105-Q108 VanDerWaalsContact O-N 3.15Å; R106-Q108 VanDerWaalsContact C-N 3.29Å; R106-Q108 PolarHBondContact O-N 3.45Å; Q108-S111 WeakPolarHBondContact O-CB 3.46Å; Q108-S111 PolarHBondContact O-N 3.31Å; Q108-R112 VanDerWaalsContact O-CG 3.32Å; Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 2.78Å
109M91.2Very high88.3Confident2 Ų274.3 Ų74.31%0.0136%0.361CS..Hα-helixtrans-55.2-54.2171.8173.1-167.88300111A92 L95 K96 K105 R106 S111 R112 L113 E155A92-M109 HydrophobicContact CB-CG 4.08Å; A92-M109 WeakPolarHBondContact O-CG 3.15Å; L95-M109 HydrophobicContact CB-CB 3.97Å; K96-M109 HydrophobicContact CB-CG 4.46Å; K96-M109 HydrophobicContact CB-SD 3.48Å; K96-M109 WeakPolarHBondContact CB-SD 3.39Å; K96-M109 HydrophobicContact CD-SD 4.29Å; K96-M109 HydrophobicContact CG-SD 3.74Å; K105-M109 PolarHBondContact O-N 3.37Å; R106-M109 HydrophobicContact CG-CE 3.94Å; R106-M109 WeakPolarHBondContact O-CB 3.38Å; R106-M109 PolarHBondContact O-N 2.94Å; M109-S111 VanDerWaalsContact C-N 3.3Å; M109-S111 PolarHBondContact O-N 3.26Å; M109-R112 PolarHBondContact O-N 3.38Å; M109-L113 HydrophobicContact CG-CD1 4.44Å; M109-L113 PolarHBondContact O-N 2.89Å; M109-E155 HydrophobicContact CE-CB 3.96Å; M109-E155 HydrophobicContact CE-CG 4.23Å
110C91Very high88.7Confident11 Ų1173.2 Ų73.27%0.07435%0.354CS..Hα-helixtrans-60.5-39.3178.9-64.70000111.9R106 F107 R112 L113 R114 L156R106-C110 PolarHBondContact O-N 3.08Å; R106-C110 PolarHBondContact O-SG 3.2Å; F107-C110 PolarHBondContact O-N 3.5Å; C110-R112 VanDerWaalsContact C-N 3.32Å; C110-R112 PolarHBondContact O-N 2.91Å; C110-L113 PolarHBondContact O-N 3.03Å; C110-R114 WeakPolarHBondContact O-CG 3.11Å; C110-R114 PolarHBondContact O-N 3.44Å; C110-L156 HydrophobicContact CB-CD2 4.39Å
111S92.8Very high89.5Confident56 Ų5671.8 Ų71.839%0.39234%0.335SS..Hα-helixtrans-60.7-39.5174.5-179.20000112.4F107 Q108 M109 K115F107-S111 WeakPolarHBondContact O-CB 3.41Å; F107-S111 PolarHBondContact O-N 2.83Å; Q108-S111 WeakPolarHBondContact O-CB 3.46Å; Q108-S111 PolarHBondContact O-N 3.31Å; M109-S111 VanDerWaalsContact C-N 3.3Å; M109-S111 PolarHBondContact O-N 3.26Å; S111-K115 PolarHBondContact O-N 2.97Å; S111-K115 VanDerWaalsContact O-N 3.1Å
112R93.5Very high90Very high71 Ų7170.3 Ų70.327%0.26832%0.323SS..Hα-helixtrans-70.5-37.3176.7-68.2-64179.8-119.21.6112.6Y91 A92 L95 Q108 M109 C110 K115 A116Y91-R112 HydrophobicContact CD1-CG 3.96Å; Y91-R112 VanDerWaalsContact CD1-NE 3.34Å; Y91-R112 HydrophobicContact CE1-CG 4.35Å; Y91-R112 HydrophobicContact CG-CG 4.47Å; A92-R112 HydrophobicContact CB-CB 3.88Å; L95-R112 HydrophobicContact CD1-CG 4.12Å; Q108-R112 VanDerWaalsContact O-CG 3.32Å; Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 2.78Å; M109-R112 PolarHBondContact O-N 3.38Å; C110-R112 VanDerWaalsContact C-N 3.32Å; C110-R112 PolarHBondContact O-N 2.91Å; R112-K115 WeakPolarHBondContact O-CB 3.5Å; R112-K115 PolarHBondContact O-N 3.28Å; R112-A116 PolarHBondContact O-N 2.85Å
113L93.4Very high90.4Very high0 Ų066 Ų660%030%0.303CS..Hα-helixtrans-65.6-44.1172.6-70.3174.6000112.2A92 M93 M109 C110 K115 A116 V117 I151 L152 E155A92-L113 HydrophobicContact CB-CD1 4.41Å; A92-L113 HydrophobicContact CB-CD2 3.59Å; A92-L113 HydrophobicContact CB-CG 3.55Å; M93-L113 HydrophobicContact CE-CD1 4.22Å; M93-L113 HydrophobicContact CE-CD2 4.05Å; M109-L113 HydrophobicContact CG-CD1 4.44Å; M109-L113 PolarHBondContact O-N 2.89Å; C110-L113 PolarHBondContact O-N 3.03Å; L113-K115 PolarHBondContact O-N 3.5Å; L113-A116 WeakPolarHBondContact O-CA 3.11Å; L113-A116 VanDerWaalsContact O-CB 3.3Å; L113-A116 WeakPolarHBondContact O-CB 3.5Å; L113-A116 PolarHBondContact O-N 3.32Å; L113-V117 PolarHBondContact O-N 3.49Å; L113-I151 HydrophobicContact CD1-CG2 4.42Å; L113-I151 HydrophobicContact CD2-CG2 4.27Å; L113-L152 HydrophobicContact CB-CB 4.3Å; L113-L152 HydrophobicContact CB-CD1 3.58Å; L113-L152 HydrophobicContact CB-CG 4.5Å; L113-E155 HydrophobicContact CD1-CB 4.01Å; L113-E155 HydrophobicContact CD1-CG 3.74Å
114R95.4Very high90.7Very high139 Ų13959.9 Ų59.953%0.52527%0.273SS..Hα-helixtrans-57-39173.3-72.2-179.6-167.5138.23.1111.7C110 A116 V117 A118 L152C110-R114 WeakPolarHBondContact O-CG 3.11Å; C110-R114 PolarHBondContact O-N 3.44Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-V117 PolarHBondContact O-N 2.84Å; R114-A118 WeakPolarHBondContact O-CB 3.34Å; R114-A118 PolarHBondContact O-N 3.14Å; R114-L152 HydrophobicContact CG-CD1 3.85Å; R114-L152 HydrophobicContact CG-CD2 3.95Å
115K94Very high90.8Very high91 Ų9153 Ų5340%0.39626%0.258SS..Hα-helixtrans-67.1-33.5174.5-168.7172.7-173.3169.30112.8S111 R112 L113 R119S111-K115 PolarHBondContact O-N 2.97Å; S111-K115 VanDerWaalsContact O-N 3.1Å; R112-K115 WeakPolarHBondContact O-CB 3.5Å; R112-K115 PolarHBondContact O-N 3.28Å; L113-K115 PolarHBondContact O-N 3.5Å; K115-R119 WeakPolarHBondContact O-CB 3.18Å; K115-R119 WeakPolarHBondContact O-CD 3.5Å; K115-R119 VanDerWaalsContact O-CG 3.23Å; K115-R119 WeakPolarHBondContact O-CG 3.28Å; K115-R119 PolarHBondContact O-N 2.81Å
116A94.1Very high90.5Very high0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-66.4-47.4173.900000110.8I85 R112 L113 R114 R119 A120 I148I85-A116 HydrophobicContact CG2-CB 4.2Å; R112-A116 PolarHBondContact O-N 2.85Å; L113-A116 WeakPolarHBondContact O-CA 3.11Å; L113-A116 VanDerWaalsContact O-CB 3.3Å; L113-A116 WeakPolarHBondContact O-CB 3.5Å; L113-A116 PolarHBondContact O-N 3.32Å; R114-A116 VanDerWaalsContact C-N 3.34Å; A116-R119 PolarHBondContact O-N 2.98Å; A116-A120 PolarHBondContact O-N 3.21Å; A116-I148 HydrophobicContact CB-CG2 3.84Å
117V94.6Very high90.1Very high7 Ų747 Ų474%0.04223%0.234CC..Hα-helixtrans-60.3-49.6176.7175.50000111.4L113 R114 R119 A120 E121 I148 R149 L152L113-V117 PolarHBondContact O-N 3.49Å; R114-V117 PolarHBondContact O-N 2.84Å; V117-R119 PolarHBondContact O-N 3.2Å; V117-R119 VanDerWaalsContact O-N 3.17Å; V117-A120 PolarHBondContact O-N 2.85Å; V117-E121 HydrophobicContact CG1-CG 4.25Å; V117-E121 WeakPolarHBondContact CG1-OE1 3.43Å; V117-E121 WeakPolarHBondContact O-CG 3.37Å; V117-E121 PolarHBondContact O-N 3.44Å; V117-I148 HydrophobicContact CG2-CG2 3.78Å; V117-R149 HydrophobicContact CG1-CB 4.43Å; V117-R149 HydrophobicContact CG1-CG 4.33Å; V117-R149 HydrophobicContact CG2-CB 4.35Å; V117-L152 HydrophobicContact CB-CD2 4.27Å; V117-L152 HydrophobicContact CG2-CB 3.93Å; V117-L152 HydrophobicContact CG2-CD2 3.69Å; V117-L152 HydrophobicContact CG2-CG 4.44Å
118A93.9Very high89.3Confident55 Ų5544.5 Ų44.546%0.45523%0.229SC..Hα-helixtrans-59.5-31.7179.200000112.9R114 L122R114-A118 WeakPolarHBondContact O-CB 3.34Å; R114-A118 PolarHBondContact O-N 3.14Å; A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 PolarHBondContact O-N 3.4Å; A118-L122 VanDerWaalsContact O-N 3.14Å
119R91.9Very high88.4Confident48 Ų4846.3 Ų46.318%0.18124%0.241CC..Hα-helixtrans-75.1-38.4174.4-74.9171.6168.8-172.2-15.5112.4E84 I85 S88 K115 A116 V117 L123E84-R119 PolarHBondContact O-NH1 2.69Å; E84-R119 IonicContact OE2-CZ 2.86Å; E84-R119 IonicContact OE2-NE 3.36Å; E84-R119 IonicContact OE2-NH1 2.84Å; E84-R119 IonicContact OE2-NH2 3.48Å; E84-R119 PolarHBondContact OE2-NH2 3.2Å; I85-R119 HydrophobicContact CD1-CB 4.45Å; I85-R119 HydrophobicContact CG1-CB 3.58Å; S88-R119 PolarHBondContact OG-NH1 3.08Å; K115-R119 WeakPolarHBondContact O-CB 3.18Å; K115-R119 WeakPolarHBondContact O-CD 3.5Å; K115-R119 VanDerWaalsContact O-CG 3.23Å; K115-R119 WeakPolarHBondContact O-CG 3.28Å; K115-R119 PolarHBondContact O-N 2.81Å; A116-R119 PolarHBondContact O-N 2.98Å; V117-R119 PolarHBondContact O-N 3.2Å; V117-R119 VanDerWaalsContact O-N 3.17Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 PolarHBondContact O-N 3.45Å
120A92.2Very high87.4Confident4 Ų446.6 Ų46.63%0.03324%0.243CC..Hα-helixtrans-67.1-39.6175.800000111.6I85 A116 V117 L123 C124 K145I85-A120 HydrophobicContact CD1-CB 3.93Å; I85-A120 HydrophobicContact CG1-CB 4.48Å; I85-A120 HydrophobicContact CG2-CB 4.44Å; A116-A120 PolarHBondContact O-N 3.21Å; V117-A120 PolarHBondContact O-N 2.85Å; A120-L123 PolarHBondContact O-N 3.08Å; A120-C124 PolarHBondContact O-N 3.21Å; A120-K145 HydrophobicContact CB-CB 4.2Å; A120-K145 HydrophobicContact CB-CG 4.04Å
121E92.1Very high86.3Confident75 Ų7551.3 Ų51.335%0.3528%0.275SS..Hα-helixtrans-63.2-46173.8-73.9172.7173.200111.6V117 L123 C124 S125 K145 R149V117-E121 HydrophobicContact CG1-CG 4.25Å; V117-E121 WeakPolarHBondContact CG1-OE1 3.43Å; V117-E121 WeakPolarHBondContact O-CG 3.37Å; V117-E121 PolarHBondContact O-N 3.44Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.14Å; E121-C124 PolarHBondContact O-N 3.48Å; E121-S125 WeakPolarHBondContact O-CB 3.24Å; E121-S125 PolarHBondContact O-N 2.91Å; E121-S125 PolarHBondContact O-OG 2.91Å; E121-K145 HydrophobicContact CG-CD 4.24Å; E121-R149 IonicContact OE1-CZ 2.97Å; E121-R149 IonicContact OE1-NH1 2.98Å; E121-R149 PolarHBondContact OE1-NH1 3.05Å
122L88.7Confident85.2Confident84 Ų8449.7 Ų49.744%0.4426%0.262SS..Hα-helixtrans-58.9-44174.6-178.964.3000111.5A118 S125 M126A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 PolarHBondContact O-N 3.4Å; A118-L122 VanDerWaalsContact O-N 3.14Å; L122-S125 WeakPolarHBondContact CA-OG 3.42Å; L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 PolarHBondContact O-OG 3.4Å; L122-M126 HydrophobicContact CD1-SD 4.26Å; L122-M126 HydrophobicContact CG-SD 4.12Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.46Å; L122-M126 PolarHBondContact O-N 2.93Å
123L86.8Confident84.2Confident7 Ų746.7 Ų46.74%0.03725%0.251CS..Hα-helixtrans-63.2-45.5179.3-177.659.6000112A81 I82 I85 R119 A120 E121 M126 E127 L141A81-L123 HydrophobicContact CB-CD1 3.81Å; A81-L123 HydrophobicContact CB-CD2 4.08Å; A81-L123 HydrophobicContact CB-CG 4.47Å; I82-L123 HydrophobicContact CG1-CD2 3.99Å; I85-L123 HydrophobicContact CD1-CB 4.48Å; I85-L123 HydrophobicContact CD1-CD2 3.91Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 PolarHBondContact O-N 3.45Å; A120-L123 PolarHBondContact O-N 3.08Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.14Å; L123-M126 PolarHBondContact O-N 2.98Å; L123-E127 PolarHBondContact O-N 3.44Å; L123-L141 HydrophobicContact CD2-CD2 3.74Å; L123-L141 HydrophobicContact CG-CD2 4.44Å
124C86.5Confident83.6Confident14 Ų1449 Ų4910%0.09526%0.264CS..Hα-helixtrans-68.2-32.3176.3-76.90000113A120 E121 M126 E127 K145A120-C124 PolarHBondContact O-N 3.21Å; E121-C124 PolarHBondContact O-N 3.48Å; C124-M126 PolarHBondContact O-N 3.31Å; C124-E127 WeakPolarHBondContact O-CB 3.15Å; C124-E127 PolarHBondContact O-N 2.97Å; C124-K145 HydrophobicContact CB-CD 3.98Å
125S86.1Confident83Confident71 Ų7145.6 Ų45.650%0.49727%0.265SS..Hα-helixtrans-67.2-24.717561.30000113E121 L122E121-S125 WeakPolarHBondContact O-CB 3.24Å; E121-S125 PolarHBondContact O-N 2.91Å; E121-S125 PolarHBondContact O-OG 2.91Å; L122-S125 WeakPolarHBondContact CA-OG 3.42Å; L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 PolarHBondContact O-OG 3.4Å
126M79.7Confident82.5Confident11 Ų1143.2 Ų43.25%0.05426%0.256CS..THydrogen-bonded Turntrans-87.4-8.7177.3-66.2173.161.900112.6L67 T68 P69 V72 L122 L123 C124 D128 D129 L130L67-M126 HydrophobicContact CB-CE 4.31Å; L67-M126 HydrophobicContact CD2-CE 4.12Å; L67-M126 HydrophobicContact CG-CE 3.88Å; T68-M126 VanDerWaalsContact C-CE 3.49Å; P69-M126 HydrophobicContact CB-CE 4.43Å; V72-M126 HydrophobicContact CG2-CE 4.46Å; L122-M126 HydrophobicContact CD1-SD 4.26Å; L122-M126 HydrophobicContact CG-SD 4.12Å; L122-M126 VanDerWaalsContact O-CG 3.27Å; L122-M126 WeakPolarHBondContact O-CG 3.46Å; L122-M126 PolarHBondContact O-N 2.93Å; L123-M126 PolarHBondContact O-N 2.98Å; C124-M126 PolarHBondContact O-N 3.31Å; M126-D128 VanDerWaalsContact C-N 3.34Å; M126-D128 PolarHBondContact O-N 2.67Å; M126-D129 PolarHBondContact O-N 3.42Å; M126-L130 HydrophobicContact CB-CD1 4.41Å; M126-L130 VanDerWaalsContact O-CD1 3.27Å; M126-L130 WeakPolarHBondContact O-CD1 3.34Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 3.36Å
127E75.3Confident82.1Confident0 Ų043.2 Ų43.20%026%0.256CS..THydrogen-bonded Turntrans-68.6-31.8-174.2-170.7-167.2121.500113.1L123 C124 D129 L130 L133 K138 R142L123-E127 PolarHBondContact O-N 3.44Å; C124-E127 WeakPolarHBondContact O-CB 3.15Å; C124-E127 PolarHBondContact O-N 2.97Å; E127-D129 VanDerWaalsContact C-N 3.33Å; E127-L130 PolarHBondContact O-N 3.34Å; E127-L133 HydrophobicContact CG-CD1 4.22Å; E127-K138 HydrophobicContact CG-CB 4.11Å; E127-K138 HydrophobicContact CG-CD 3.82Å; E127-K138 HydrophobicContact CG-CG 3.53Å; E127-K138 WeakPolarHBondContact O-CE 3.43Å; E127-K138 PolarHBondContact O-NZ 3.02Å; E127-K138 WeakPolarHBondContact OE1-CA 3.47Å; E127-K138 WeakPolarHBondContact OE1-CB 3.38Å; E127-K138 VanDerWaalsContact OE1-CG 3.3Å; E127-K138 WeakPolarHBondContact OE1-CG 3.48Å; E127-R142 IonicContact OE1-CZ 3.86Å; E127-R142 IonicContact OE1-NE 2.66Å; E127-R142 PolarHBondContact OE1-NE 3.16Å; E127-R142 IonicContact OE1-NH2 2.78Å; E127-R142 PolarHBondContact OE1-NH2 3.48Å; E127-R142 VanDerWaalsContact OE1-NH2 3.13Å; E127-R142 IonicContact OE2-NE 3.8Å
128D72.3Confident81.7Confident116 Ų11644.8 Ų44.862%0.6226%0.262SS*.THydrogen-bonded Turntrans-70.3-32.7178.1-64.4-31.8000111.2M126 L130 R142M126-D128 VanDerWaalsContact C-N 3.34Å; M126-D128 PolarHBondContact O-N 2.67Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-R142 IonicContact OD1-NH2 3.74Å
129D71.8Confident81.4Confident110 Ų11044.4 Ų44.459%0.58825%0.252SS*.THydrogen-bonded Turntrans-78-18.3177.2-59.1-32.2000112.9P69 M126 E127 S131P69-D129 HydrophobicContact CB-CB 4Å; M126-D129 PolarHBondContact O-N 3.42Å; E127-D129 VanDerWaalsContact C-N 3.33Å; D129-S131 PolarHBondContact O-N 3.15Å
130L68.7Low81.3Confident9 Ų942.2 Ų42.25%0.04724%0.244CC..  trans-90.193-177.8-69163.7000110.2V72 I78 M126 E127 D128 L132 L133 K138V72-L130 HydrophobicContact CB-CD2 3.49Å; V72-L130 VanDerWaalsContact CB-CD2 3.49Å; V72-L130 HydrophobicContact CG1-CD2 3.39Å; V72-L130 HydrophobicContact CG2-CD2 3.93Å; I78-L130 HydrophobicContact CD1-CD1 4.36Å; M126-L130 HydrophobicContact CB-CD1 4.41Å; M126-L130 VanDerWaalsContact O-CD1 3.27Å; M126-L130 WeakPolarHBondContact O-CD1 3.34Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 3.36Å; E127-L130 PolarHBondContact O-N 3.34Å; D128-L130 VanDerWaalsContact C-N 3.33Å; L130-L132 PolarHBondContact O-N 3.15Å; L130-L133 HydrophobicContact CB-CD1 4.09Å; L130-L133 HydrophobicContact CB-CG 4.32Å; L130-L133 HydrophobicContact CD1-CD1 4.05Å; L130-K138 PolarHBondContact O-NZ 3.37Å
131S68.4Low81.2Confident109 Ų10942.1 Ų42.176%0.76224%0.243SC*.THydrogen-bonded Turntrans-67.6-13.2171.757.20000113.7D129 L133D129-S131 PolarHBondContact O-N 3.15Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 3.37Å
132L69.5Low81.1Confident22 Ų2242.8 Ų42.812%0.11524%0.242CC..THydrogen-bonded Turntrans-77.6-13.5-177.7-144116.7000114.1I9 S12 P75 L130I9-L132 HydrophobicContact CD1-CD1 4.25Å; I9-L132 HydrophobicContact CG2-CD1 3.59Å; I9-L132 HydrophobicContact CG2-CG 3.86Å; S12-L132 PolarHBondContact N-O 3.03Å; S12-L132 PolarHBondContact OG-O 3.27Å; P75-L132 HydrophobicContact CB-CD2 4.49Å; L130-L132 PolarHBondContact O-N 3.15Å
133L71.9Confident81.2Confident8 Ų838.8 Ų38.84%0.04222%0.221CC..BIsolated β-bridgetrans-96.6131.4-173.6-79179.2000112I14 I78 E127 L130 S131 T137 K138 L141I14-L133 HydrophobicContact CD1-CD2 4.35Å; I78-L133 HydrophobicContact CD1-CD1 3.86Å; I78-L133 HydrophobicContact CD1-CD2 3.43Å; I78-L133 VanDerWaalsContact CD1-CD2 3.43Å; I78-L133 HydrophobicContact CD1-CG 3.65Å; E127-L133 HydrophobicContact CG-CD1 4.22Å; L130-L133 HydrophobicContact CB-CD1 4.09Å; L130-L133 HydrophobicContact CB-CG 4.32Å; L130-L133 HydrophobicContact CD1-CD1 4.05Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 3.37Å; L133-T137 HydrophobicContact CD2-CG2 3.61Å; L133-K138 HydrophobicContact CB-CG 4.06Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å; L133-L141 HydrophobicContact CD1-CD1 4.06Å
134D80.9Confident81.5Confident49 Ų4938.7 Ų38.726%0.26222%0.22SC..  trans-67.1150.5171.9-175.833000112.3P11 Q136 T137 K138P11-D134 HydrophobicContact CB-CB 4.17Å; D134-Q136 PolarHBondContact O-N 3.23Å; D134-Q136 WeakPolarHBondContact OD2-CB 3.44Å; D134-T137 PolarHBondContact O-N 3.25Å; D134-T137 VanDerWaalsContact O-N 3.07Å; D134-K138 WeakPolarHBondContact O-CG 3.44Å; D134-K138 PolarHBondContact O-N 2.9Å
135A82.9Confident81.9Confident67 Ų6740.3 Ų40.355%0.55423%0.226SC*.Hα-helixtrans-57.5-33.2179.100000112.3K138 L139A135-K138 WeakPolarHBondContact O-CB 3.37Å; A135-K138 PolarHBondContact O-N 3.32Å; A135-L139 WeakPolarHBondContact O-CG 3.42Å; A135-L139 PolarHBondContact O-N 3.03Å
136Q83.6Confident82.3Confident42 Ų4238.5 Ų38.520%0.19621%0.209CC..Hα-helixtrans-65.3-49174.3-171-167.8-40.800111.6D134 K138 L139 E140 L176 V180D134-Q136 PolarHBondContact O-N 3.23Å; D134-Q136 WeakPolarHBondContact OD2-CB 3.44Å; Q136-K138 PolarHBondContact O-N 3.16Å; Q136-L139 PolarHBondContact O-N 2.99Å; Q136-L139 VanDerWaalsContact O-N 3.15Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 PolarHBondContact O-N 3.46Å; Q136-L176 HydrophobicContact CG-CD2 3.78Å; Q136-V180 HydrophobicContact CG-CG2 4.3Å
137T85.2Confident83Confident0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-61.4-36.7178.5-570000111.4I14 V16 L133 D134 E140 L141I14-T137 HydrophobicContact CB-CG2 4.06Å; I14-T137 PolarHBondContact N-OG1 2.68Å; I14-T137 WeakPolarHBondContact O-CG2 3.36Å; I14-T137 PolarHBondContact O-OG1 2.81Å; V16-T137 HydrophobicContact CG2-CG2 4.07Å; L133-T137 HydrophobicContact CD2-CG2 3.61Å; D134-T137 PolarHBondContact O-N 3.25Å; D134-T137 VanDerWaalsContact O-N 3.07Å; T137-E140 PolarHBondContact O-N 2.85Å; T137-L141 HydrophobicContact CG2-CD1 4.42Å; T137-L141 WeakPolarHBondContact O-CG 3.31Å; T137-L141 PolarHBondContact O-N 3.4Å
138K87.5Confident83.9Confident40 Ų4038.7 Ų38.717%0.17421%0.209CC..Hα-helixtrans-58.7-49.9172.5-74-161.9-171.6-156.40112.2E127 L130 L133 D134 A135 Q136 E140 L141 R142E127-K138 HydrophobicContact CG-CB 4.11Å; E127-K138 HydrophobicContact CG-CD 3.82Å; E127-K138 HydrophobicContact CG-CG 3.53Å; E127-K138 WeakPolarHBondContact O-CE 3.43Å; E127-K138 PolarHBondContact O-NZ 3.02Å; E127-K138 WeakPolarHBondContact OE1-CA 3.47Å; E127-K138 WeakPolarHBondContact OE1-CB 3.38Å; E127-K138 VanDerWaalsContact OE1-CG 3.3Å; E127-K138 WeakPolarHBondContact OE1-CG 3.48Å; L130-K138 PolarHBondContact O-NZ 3.37Å; L133-K138 HydrophobicContact CB-CG 4.06Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å; D134-K138 WeakPolarHBondContact O-CG 3.44Å; D134-K138 PolarHBondContact O-N 2.9Å; A135-K138 WeakPolarHBondContact O-CB 3.37Å; A135-K138 PolarHBondContact O-N 3.32Å; Q136-K138 PolarHBondContact O-N 3.16Å; K138-E140 PolarHBondContact O-N 2.95Å; K138-L141 PolarHBondContact O-N 3.29Å; K138-R142 WeakPolarHBondContact O-CG 3.23Å; K138-R142 PolarHBondContact O-N 2.91Å; K138-R142 VanDerWaalsContact O-N 3.1Å
139L87.7Confident84.9Confident46 Ų4636.6 Ų36.624%0.24119%0.193CC..Hα-helixtrans-63.1-41.2175-72.9174.6000112.6A135 Q136 L141 R142 A143 I172 L176 M179A135-L139 WeakPolarHBondContact O-CG 3.42Å; A135-L139 PolarHBondContact O-N 3.03Å; Q136-L139 PolarHBondContact O-N 2.99Å; Q136-L139 VanDerWaalsContact O-N 3.15Å; L139-L141 PolarHBondContact O-N 3.36Å; L139-R142 PolarHBondContact O-N 3Å; L139-A143 PolarHBondContact O-N 2.94Å; L139-I172 HydrophobicContact CB-CG2 4.35Å; L139-I172 HydrophobicContact CD2-CG2 4.48Å; L139-I172 WeakPolarHBondContact O-CG2 3.42Å; L139-L176 HydrophobicContact CB-CD1 4.45Å; L139-L176 HydrophobicContact CB-CD2 3.86Å; L139-L176 HydrophobicContact CB-CG 4.29Å; L139-L176 HydrophobicContact CD1-CD2 4.46Å; L139-M179 HydrophobicContact CD1-CE 4.49Å; L139-M179 HydrophobicContact CD1-SD 4.08Å
140E89Confident86Confident2 Ų231.3 Ų31.31%0.00917%0.165CC..Hα-helixtrans-61.1-42176.3-76.6-178.8-136.400112.6V16 L17 Q136 T137 K138 A143 Y144 L176 Y188V16-E140 HydrophobicContact CB-CB 4.29Å; V16-E140 HydrophobicContact CG2-CB 4.44Å; V16-E140 PolarHBondContact N-OE2 2.93Å; L17-E140 PolarHBondContact N-OE2 2.99Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 PolarHBondContact O-N 3.46Å; T137-E140 PolarHBondContact O-N 2.85Å; K138-E140 PolarHBondContact O-N 2.95Å; E140-A143 PolarHBondContact O-N 3.42Å; E140-Y144 VanDerWaalsContact O-CB 3.31Å; E140-Y144 WeakPolarHBondContact O-CB 3.42Å; E140-Y144 PolarHBondContact O-N 3.01Å; E140-L176 HydrophobicContact CB-CD1 4.36Å; E140-L176 HydrophobicContact CG-CD1 3.67Å; E140-L176 HydrophobicContact CG-CD2 4.06Å; E140-Y188 HydrophobicContact CG-CE1 4.21Å; E140-Y188 PolarHBondContact OE1-OH 3.35Å; E140-Y188 PolarHBondContact OE2-OH 3.33Å
141L89.3Confident87.2Confident2 Ų231.4 Ų31.41%0.0117%0.165CC..Hα-helixtrans-63.5-41.6175.8-75.7173.7000111.5V16 I78 I82 L123 L133 T137 K138 L139 Y144 K145V16-L141 HydrophobicContact CG1-CD2 4.34Å; V16-L141 HydrophobicContact CG2-CD2 3.97Å; V16-L141 HydrophobicContact CG2-CG 4.18Å; I78-L141 HydrophobicContact CG2-CD1 4.43Å; I82-L141 HydrophobicContact CD1-CD2 4.03Å; I82-L141 HydrophobicContact CG1-CD2 3.98Å; L123-L141 HydrophobicContact CD2-CD2 3.74Å; L123-L141 HydrophobicContact CG-CD2 4.44Å; L133-L141 HydrophobicContact CD1-CD1 4.06Å; T137-L141 HydrophobicContact CG2-CD1 4.42Å; T137-L141 WeakPolarHBondContact O-CG 3.31Å; T137-L141 PolarHBondContact O-N 3.4Å; K138-L141 PolarHBondContact O-N 3.29Å; L139-L141 PolarHBondContact O-N 3.36Å; L141-Y144 PolarHBondContact O-N 3.16Å; L141-K145 WeakPolarHBondContact O-CB 3.4Å; L141-K145 PolarHBondContact O-N 3.38Å
142R91.1Very high88.4Confident90 Ų9026.8 Ų26.834%0.3413%0.132SC..Hα-helixtrans-63.7-44.5175.5-69.4171.5-173.1172.3-6.7111.6E127 D128 K138 L139 Y144 K145 Q146 I172E127-R142 IonicContact OE1-CZ 3.86Å; E127-R142 IonicContact OE1-NE 2.66Å; E127-R142 PolarHBondContact OE1-NE 3.16Å; E127-R142 IonicContact OE1-NH2 2.78Å; E127-R142 PolarHBondContact OE1-NH2 3.48Å; E127-R142 VanDerWaalsContact OE1-NH2 3.13Å; E127-R142 IonicContact OE2-NE 3.8Å; D128-R142 IonicContact OD1-NH2 3.74Å; K138-R142 WeakPolarHBondContact O-CG 3.23Å; K138-R142 PolarHBondContact O-N 2.91Å; K138-R142 VanDerWaalsContact O-N 3.1Å; L139-R142 PolarHBondContact O-N 3Å; R142-Y144 PolarHBondContact O-N 2.9Å; R142-K145 WeakPolarHBondContact O-CB 3.48Å; R142-K145 PolarHBondContact O-N 3.18Å; R142-Q146 WeakPolarHBondContact O-CG 3.35Å; R142-Q146 PolarHBondContact O-N 2.91Å; R142-I172 HydrophobicContact CB-CD1 4.49Å
143A91.7Very high89.6Confident0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-59.6-45.9174.500000111.5L139 E140 K145 Q146 W147 I172 Y173L139-A143 PolarHBondContact O-N 2.94Å; E140-A143 PolarHBondContact O-N 3.42Å; A143-K145 PolarHBondContact O-N 2.94Å; A143-Q146 PolarHBondContact O-N 3.19Å; A143-W147 WeakPolarHBondContact O-CB 3.49Å; A143-W147 PolarHBondContact O-N 3.23Å; A143-I172 HydrophobicContact CB-CB 3.94Å; A143-I172 HydrophobicContact CB-CG2 3.7Å; A143-Y173 HydrophobicContact CB-CD1 3.89Å; A143-Y173 HydrophobicContact CB-CD2 4.25Å; A143-Y173 HydrophobicContact CB-CE1 3.53Å; A143-Y173 HydrophobicContact CB-CE2 3.93Å; A143-Y173 HydrophobicContact CB-CG 4.23Å
144Y92.5Very high90.5Very high4 Ų427.8 Ų27.82%0.01614%0.135CC..Hα-helixtrans-63.4-38.3178.2179.3-105.2000112.7I85 E86 E140 L141 R142 W147 I148I85-Y144 HydrophobicContact CB-CE1 4.17Å; I85-Y144 HydrophobicContact CD1-CE1 4.11Å; I85-Y144 HydrophobicContact CG2-CE1 3.75Å; I85-Y144 WeakPolarHBondContact CG2-OH 3.42Å; E86-Y144 VanDerWaalsContact CG-OH 3.3Å; E86-Y144 WeakPolarHBondContact CG-OH 3.32Å; E86-Y144 WeakPolarHBondContact OE1-CE2 3.42Å; E86-Y144 PolarHBondContact OE1-OH 3.24Å; E140-Y144 VanDerWaalsContact O-CB 3.31Å; E140-Y144 WeakPolarHBondContact O-CB 3.42Å; E140-Y144 PolarHBondContact O-N 3.01Å; L141-Y144 PolarHBondContact O-N 3.16Å; R142-Y144 PolarHBondContact O-N 2.9Å; Y144-W147 AromaticContact CD2-CE3 3.67Å; Y144-W147 HydrophobicContact CD2-CE3 3.67Å; Y144-W147 AromaticContact CD2-CZ3 3.98Å; Y144-W147 HydrophobicContact CD2-CZ3 3.98Å; Y144-W147 AromaticContact CE2-CE3 3.69Å; Y144-W147 HydrophobicContact CE2-CE3 3.69Å; Y144-W147 AromaticContact CE2-CZ3 3.52Å; Y144-W147 HydrophobicContact CE2-CZ3 3.52Å; Y144-W147 PolarHBondContact O-N 3.46Å; Y144-I148 HydrophobicContact CD1-CD1 4.21Å; Y144-I148 HydrophobicContact CD2-CD1 4.5Å; Y144-I148 HydrophobicContact CE1-CD1 3.54Å; Y144-I148 HydrophobicContact CE2-CD1 3.88Å; Y144-I148 HydrophobicContact CE2-CG1 4.43Å; Y144-I148 WeakPolarHBondContact O-CG1 3.44Å; Y144-I148 PolarHBondContact O-N 3.11Å; Y144-I148 VanDerWaalsContact O-N 3.1Å; Y144-I148 WeakPolarHBondContact OH-CD1 3.42Å
145K93.6Very high90.9Very high48 Ų4826.3 Ų26.321%0.20913%0.127CC..Hα-helixtrans-61.1-50.8171.8179.5-166.969.8-177.70111.2A120 E121 C124 L141 R142 A143 W147 I148 R149A120-K145 HydrophobicContact CB-CB 4.2Å; A120-K145 HydrophobicContact CB-CG 4.04Å; E121-K145 HydrophobicContact CG-CD 4.24Å; C124-K145 HydrophobicContact CB-CD 3.98Å; L141-K145 WeakPolarHBondContact O-CB 3.4Å; L141-K145 PolarHBondContact O-N 3.38Å; R142-K145 WeakPolarHBondContact O-CB 3.48Å; R142-K145 PolarHBondContact O-N 3.18Å; A143-K145 PolarHBondContact O-N 2.94Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.43Å; K145-I148 PolarHBondContact O-N 3.43Å; K145-R149 WeakPolarHBondContact O-CB 3.33Å; K145-R149 PolarHBondContact O-N 3.32Å
146Q94.5Very high91.3Very high33 Ų3326.2 Ų26.215%0.15412%0.116CC..Hα-helixtrans-60-40.8179.6-66.6-59.5-6.900111.1R142 A143 R149 G150 H165 A169 I172R142-Q146 WeakPolarHBondContact O-CG 3.35Å; R142-Q146 PolarHBondContact O-N 2.91Å; A143-Q146 PolarHBondContact O-N 3.19Å; Q146-R149 PolarHBondContact O-N 2.77Å; Q146-G150 PolarHBondContact O-N 3.44Å; Q146-H165 PolarHBondContact OE1-ND1 3.14Å; Q146-A169 HydrophobicContact CB-CB 3.83Å; Q146-I172 HydrophobicContact CG-CD1 4.19Å
147W94.6Very high91.5Very high15 Ų1529.5 Ų29.56%0.05713%0.132CC..Hα-helixtrans-58.2-51.5175.6173.656.9000113.3W89 A143 Y144 K145 R149 G150 I151 A169 R191 L195W89-W147 HydrophobicContact CD2-CH2 4.39Å; W89-W147 AromaticContact CE2-CH2 3.91Å; W89-W147 HydrophobicContact CZ2-CH2 4.01Å; W89-W147 HydrophobicContact CZ2-CZ2 4.37Å; A143-W147 WeakPolarHBondContact O-CB 3.49Å; A143-W147 PolarHBondContact O-N 3.23Å; Y144-W147 AromaticContact CD2-CE3 3.67Å; Y144-W147 HydrophobicContact CD2-CE3 3.67Å; Y144-W147 AromaticContact CD2-CZ3 3.98Å; Y144-W147 HydrophobicContact CD2-CZ3 3.98Å; Y144-W147 AromaticContact CE2-CE3 3.69Å; Y144-W147 HydrophobicContact CE2-CE3 3.69Å; Y144-W147 AromaticContact CE2-CZ3 3.52Å; Y144-W147 HydrophobicContact CE2-CZ3 3.52Å; Y144-W147 PolarHBondContact O-N 3.46Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.43Å; W147-R149 VanDerWaalsContact C-N 3.3Å; W147-R149 PolarHBondContact O-N 2.89Å; W147-G150 PolarHBondContact O-N 2.97Å; W147-I151 HydrophobicContact CD2-CD1 3.87Å; W147-I151 HydrophobicContact CE3-CD1 4.48Å; W147-I151 HydrophobicContact CG-CD1 4.36Å; W147-I151 HydrophobicContact CH2-CD1 3.99Å; W147-I151 HydrophobicContact CZ2-CD1 3.33Å; W147-I151 WeakPolarHBondContact O-CG1 3.49Å; W147-I151 PolarHBondContact O-N 3.35Å; W147-A169 HydrophobicContact CB-CB 4.21Å; W147-R191 VanDerWaalsContact CE3-NH1 3.29Å; W147-L195 HydrophobicContact CG-CD2 4.3Å
148I94Very high91.8Very high0 Ų032.9 Ų32.90%015%0.15CC..Hα-helixtrans-66.1-36.5-179.5-68.1-177000111.5I85 A116 V117 Y144 K145 I151 L152I85-I148 HydrophobicContact CG2-CD1 3.15Å; A116-I148 HydrophobicContact CB-CG2 3.84Å; V117-I148 HydrophobicContact CG2-CG2 3.78Å; Y144-I148 HydrophobicContact CD1-CD1 4.21Å; Y144-I148 HydrophobicContact CD2-CD1 4.5Å; Y144-I148 HydrophobicContact CE1-CD1 3.54Å; Y144-I148 HydrophobicContact CE2-CD1 3.88Å; Y144-I148 HydrophobicContact CE2-CG1 4.43Å; Y144-I148 WeakPolarHBondContact O-CG1 3.44Å; Y144-I148 PolarHBondContact O-N 3.11Å; Y144-I148 VanDerWaalsContact O-N 3.1Å; Y144-I148 WeakPolarHBondContact OH-CD1 3.42Å; K145-I148 PolarHBondContact O-N 3.43Å; I148-I151 PolarHBondContact O-N 3.16Å; I148-L152 PolarHBondContact O-N 3.45Å
149R95.3Very high91.9Very high72 Ų7232.9 Ų32.927%0.27215%0.148SC..Hα-helixtrans-65.1-42.5175.1-170.9168.2169116.30.5111V117 E121 K145 Q146 W147 L152 F153 H165V117-R149 HydrophobicContact CG1-CB 4.43Å; V117-R149 HydrophobicContact CG1-CG 4.33Å; V117-R149 HydrophobicContact CG2-CB 4.35Å; E121-R149 IonicContact OE1-CZ 2.97Å; E121-R149 IonicContact OE1-NH1 2.98Å; E121-R149 PolarHBondContact OE1-NH1 3.05Å; K145-R149 WeakPolarHBondContact O-CB 3.33Å; K145-R149 PolarHBondContact O-N 3.32Å; Q146-R149 PolarHBondContact O-N 2.77Å; W147-R149 VanDerWaalsContact C-N 3.3Å; W147-R149 PolarHBondContact O-N 2.89Å; R149-L152 WeakPolarHBondContact O-CB 3.5Å; R149-L152 PolarHBondContact O-N 3.06Å; R149-F153 HydrophobicContact CG-CD2 3.99Å; R149-F153 HydrophobicContact CG-CE2 3.69Å; R149-F153 WeakPolarHBondContact O-CD2 3.45Å; R149-F153 PolarHBondContact O-N 2.79Å; R149-F153 VanDerWaalsContact O-N 3.11Å; R149-H165 PolarHBondContact NE-CE1 3.2Å; R149-H165 PolarHBondContact NE-NE2 3.27Å
150G94Very high92Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-55.4-49.6170.700000112.2Q146 W147 L152 F153 F154Q146-G150 PolarHBondContact O-N 3.44Å; W147-G150 PolarHBondContact O-N 2.97Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.47Å; G150-F153 PolarHBondContact O-N 3.29Å; G150-F154 VanDerWaalsContact O-CB 3.31Å; G150-F154 WeakPolarHBondContact O-CB 3.36Å; G150-F154 PolarHBondContact O-N 3.35Å
151I92.8Very high92.3Very high10 Ų1035.3 Ų35.35%0.05117%0.172CC..Hα-helixtrans-59.9-41.2176.5-68.4168.3000111.9M93 L113 W147 I148 F153 F154 E155M93-I151 HydrophobicContact CE-CG2 4.21Å; L113-I151 HydrophobicContact CD1-CG2 4.42Å; L113-I151 HydrophobicContact CD2-CG2 4.27Å; W147-I151 HydrophobicContact CD2-CD1 3.87Å; W147-I151 HydrophobicContact CE3-CD1 4.48Å; W147-I151 HydrophobicContact CG-CD1 4.36Å; W147-I151 HydrophobicContact CH2-CD1 3.99Å; W147-I151 HydrophobicContact CZ2-CD1 3.33Å; W147-I151 WeakPolarHBondContact O-CG1 3.49Å; W147-I151 PolarHBondContact O-N 3.35Å; I148-I151 PolarHBondContact O-N 3.16Å; I151-F153 PolarHBondContact O-N 3.34Å; I151-F154 WeakPolarHBondContact O-CB 3.35Å; I151-F154 PolarHBondContact O-N 2.93Å; I151-E155 HydrophobicContact CG2-CG 4.42Å; I151-E155 WeakPolarHBondContact O-CG 3.29Å; I151-E155 PolarHBondContact O-N 3.46Å
152L94.7Very high92.4Very high12 Ų1235.2 Ų35.26%0.06317%0.171CC..Hα-helixtrans-58.9-49.7176.8170.765.5000111.2L113 R114 V117 I148 R149 G150 F154 E155 L156L113-L152 HydrophobicContact CB-CB 4.3Å; L113-L152 HydrophobicContact CB-CD1 3.58Å; L113-L152 HydrophobicContact CB-CG 4.5Å; R114-L152 HydrophobicContact CG-CD1 3.85Å; R114-L152 HydrophobicContact CG-CD2 3.95Å; V117-L152 HydrophobicContact CB-CD2 4.27Å; V117-L152 HydrophobicContact CG2-CB 3.93Å; V117-L152 HydrophobicContact CG2-CD2 3.69Å; V117-L152 HydrophobicContact CG2-CG 4.44Å; I148-L152 PolarHBondContact O-N 3.45Å; R149-L152 WeakPolarHBondContact O-CB 3.5Å; R149-L152 PolarHBondContact O-N 3.06Å; G150-L152 VanDerWaalsContact C-N 3.33Å; G150-L152 PolarHBondContact O-N 3.47Å; L152-F154 VanDerWaalsContact C-N 3.32Å; L152-E155 PolarHBondContact O-N 2.63Å; L152-L156 HydrophobicContact CD1-CD1 3.93Å; L152-L156 HydrophobicContact CD1-CG 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 VanDerWaalsContact O-CG 3.26Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 3.44Å
153F94.1Very high92.4Very high40 Ų4033.6 Ų33.618%0.17517%0.167CC..Hα-helixtrans-69-32.4-179.7-74.3-67.4000112.7R149 G150 I151 L156 Q157 N158 V161 A162 H165R149-F153 HydrophobicContact CG-CD2 3.99Å; R149-F153 HydrophobicContact CG-CE2 3.69Å; R149-F153 WeakPolarHBondContact O-CD2 3.45Å; R149-F153 PolarHBondContact O-N 2.79Å; R149-F153 VanDerWaalsContact O-N 3.11Å; G150-F153 PolarHBondContact O-N 3.29Å; I151-F153 PolarHBondContact O-N 3.34Å; F153-L156 HydrophobicContact CD1-CD1 4.33Å; F153-L156 CarbonylContact O-C 3.39Å; F153-L156 PolarHBondContact O-N 3.36Å; F153-Q157 PolarHBondContact O-N 3.15Å; F153-Q157 VanDerWaalsContact O-N 3.12Å; F153-N158 HydrophobicContact CD1-CB 4.31Å; F153-N158 PolarHBondContact O-N 3.42Å; F153-V161 HydrophobicContact CD1-CB 4.34Å; F153-V161 HydrophobicContact CD1-CG1 3.99Å; F153-V161 HydrophobicContact CD2-CG1 3.68Å; F153-V161 HydrophobicContact CE1-CG1 4.04Å; F153-V161 HydrophobicContact CE2-CG1 3.73Å; F153-V161 HydrophobicContact CG-CB 4.29Å; F153-V161 HydrophobicContact CG-CG1 3.81Å; F153-V161 HydrophobicContact CZ-CG1 3.91Å; F153-A162 HydrophobicContact CB-CB 3.8Å; F153-H165 AromaticContact CD2-CD2 3.63Å; F153-H165 AromaticContact CE2-CD2 3.78Å; F153-H165 AromaticContact CE2-NE2 3.78Å
154F91.7Very high92.6Very high11 Ų1139.6 Ų39.65%0.04820%0.195CC..Hα-helixtrans-57.7-50.2171.9-169.3-87.6000111.3G150 I151 L152 L156 Q157 W159 A162 L166 Q198 Y201 C202 L237G150-F154 VanDerWaalsContact O-CB 3.31Å; G150-F154 WeakPolarHBondContact O-CB 3.36Å; G150-F154 PolarHBondContact O-N 3.35Å; I151-F154 WeakPolarHBondContact O-CB 3.35Å; I151-F154 PolarHBondContact O-N 2.93Å; L152-F154 VanDerWaalsContact C-N 3.32Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.39Å; F154-Q157 PolarHBondContact O-N 2.87Å; F154-W159 HydrophobicContact CD2-CE3 4.42Å; F154-W159 HydrophobicContact CD2-CZ3 4Å; F154-W159 HydrophobicContact CE1-CZ3 4.44Å; F154-W159 HydrophobicContact CE2-CE3 4.41Å; F154-W159 AromaticContact CE2-CZ3 3.87Å; F154-W159 HydrophobicContact CE2-CZ3 3.87Å; F154-W159 HydrophobicContact CG-CZ3 4.33Å; F154-W159 HydrophobicContact CZ-CZ3 4.08Å; F154-A162 HydrophobicContact CB-CB 4.28Å; F154-L166 HydrophobicContact CD2-CD1 4.44Å; F154-Q198 HydrophobicContact CD2-CB 4.35Å; F154-Q198 HydrophobicContact CE2-CB 4.04Å; F154-Q198 HydrophobicContact CE2-CG 4.41Å; F154-Y201 AromaticContact CE2-CD1 3.75Å; F154-Y201 HydrophobicContact CE2-CD1 3.75Å; F154-Y201 AromaticContact CZ-CD1 3.61Å; F154-Y201 HydrophobicContact CZ-CD1 3.61Å; F154-Y201 HydrophobicContact CZ-CE1 4.15Å; F154-Y201 HydrophobicContact CZ-CG 4.36Å; F154-C202 WeakPolarHBondContact CD2-SG 3.41Å; F154-L237 HydrophobicContact CE1-CD2 3.92Å; F154-L237 HydrophobicContact CZ-CD1 4.17Å; F154-L237 HydrophobicContact CZ-CD2 3.49Å; F154-L237 VanDerWaalsContact CZ-CD2 3.49Å; F154-L237 HydrophobicContact CZ-CG 4.47Å
155E89.6Confident92.7Very high19 Ų1940.5 Ų40.59%0.08920%0.199CC..Hα-helixtrans-70.4-25.3178.5-65.2-59.9159.100113.7K96 R106 M109 L113 I151 L152 Q157K96-E155 VanDerWaalsContact CE-OE1 3.3Å; K96-E155 WeakPolarHBondContact CE-OE1 3.24Å; K96-E155 IonicContact NZ-OE1 3.52Å; K96-E155 PolarHBondContact NZ-OE1 2.56Å; K96-E155 IonicContact NZ-OE2 2.98Å; R106-E155 PolarHBondContact NH2-O 3.01Å; R106-E155 VanDerWaalsContact NH2-O 3.08Å; M109-E155 HydrophobicContact CE-CB 3.96Å; M109-E155 HydrophobicContact CE-CG 4.23Å; L113-E155 HydrophobicContact CD1-CB 4.01Å; L113-E155 HydrophobicContact CD1-CG 3.74Å; I151-E155 HydrophobicContact CG2-CG 4.42Å; I151-E155 WeakPolarHBondContact O-CG 3.29Å; I151-E155 PolarHBondContact O-N 3.46Å; L152-E155 PolarHBondContact O-N 2.63Å; E155-Q157 PolarHBondContact O-N 3.37Å
156L90.8Very high92.7Very high64 Ų6438.2 Ų38.234%0.33519%0.189SC..THydrogen-bonded Turntrans-78.6-1.6170.9-68.6174.1000113.2C110 L152 F153 F154 N158C110-L156 HydrophobicContact CB-CD2 4.39Å; L152-L156 HydrophobicContact CD1-CD1 3.93Å; L152-L156 HydrophobicContact CD1-CG 4.22Å; L152-L156 HydrophobicContact CG-CD1 3.98Å; L152-L156 VanDerWaalsContact O-CG 3.26Å; L152-L156 WeakPolarHBondContact O-CG 3.16Å; L152-L156 PolarHBondContact O-N 3.44Å; F153-L156 HydrophobicContact CD1-CD1 4.33Å; F153-L156 CarbonylContact O-C 3.39Å; F153-L156 PolarHBondContact O-N 3.36Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.39Å; L156-N158 PolarHBondContact O-N 3.21Å
157Q86.7Confident92.6Very high112 Ų11240.4 Ų40.452%0.52320%0.199SC..THydrogen-bonded Turntrans61.523.6-179.5-56.1175.4-15.300114.1R106 F153 F154 E155 W159R106-Q157 VanDerWaalsContact NH2-NE2 3.17Å; F153-Q157 PolarHBondContact O-N 3.15Å; F153-Q157 VanDerWaalsContact O-N 3.12Å; F154-Q157 PolarHBondContact O-N 2.87Å; E155-Q157 PolarHBondContact O-N 3.37Å; Q157-W159 HydrophobicContact CB-CH2 4.24Å; Q157-W159 HydrophobicContact CB-CZ2 3.73Å; Q157-W159 HydrophobicContact CG-CH2 4.12Å; Q157-W159 HydrophobicContact CG-CZ2 3.9Å; Q157-W159 PolarHBondContact O-N 3.16Å; Q157-W159 PolarHBondContact O-NE1 2.88Å
158N91.4Very high92.6Very high70 Ų7041.9 Ų41.937%0.37421%0.212SC..  trans-94.384.9171.8-173.3-10.4000109.3F153 L156 A160 A162F153-N158 HydrophobicContact CD1-CB 4.31Å; F153-N158 PolarHBondContact O-N 3.42Å; L156-N158 PolarHBondContact O-N 3.21Å; N158-A160 PolarHBondContact O-N 3.1Å; N158-A162 WeakPolarHBondContact O-CB 3.47Å; N158-A162 PolarHBondContact O-N 3.13Å
159W90.4Very high92.6Very high40 Ų4041.9 Ų41.915%0.15221%0.212CC..Hα-helixtrans-65.2-37.4-169.3-48.3114000113.9F154 Q157 A162 K163 Y201 C202 I206F154-W159 HydrophobicContact CD2-CE3 4.42Å; F154-W159 HydrophobicContact CD2-CZ3 4Å; F154-W159 HydrophobicContact CE1-CZ3 4.44Å; F154-W159 HydrophobicContact CE2-CE3 4.41Å; F154-W159 AromaticContact CE2-CZ3 3.87Å; F154-W159 HydrophobicContact CE2-CZ3 3.87Å; F154-W159 HydrophobicContact CG-CZ3 4.33Å; F154-W159 HydrophobicContact CZ-CZ3 4.08Å; Q157-W159 HydrophobicContact CB-CH2 4.24Å; Q157-W159 HydrophobicContact CB-CZ2 3.73Å; Q157-W159 HydrophobicContact CG-CH2 4.12Å; Q157-W159 HydrophobicContact CG-CZ2 3.9Å; Q157-W159 PolarHBondContact O-N 3.16Å; Q157-W159 PolarHBondContact O-NE1 2.88Å; W159-A162 PolarHBondContact O-N 3.19Å; W159-K163 VanDerWaalsContact O-CB 3.25Å; W159-K163 WeakPolarHBondContact O-CB 3.3Å; W159-K163 PolarHBondContact O-N 3.29Å; W159-Y201 HydrophobicContact CE3-CD1 4.3Å; W159-Y201 HydrophobicContact CE3-CE1 4.21Å; W159-Y201 HydrophobicContact CH2-CD1 4.31Å; W159-Y201 AromaticContact CH2-CE1 3.52Å; W159-Y201 HydrophobicContact CH2-CE1 3.52Å; W159-Y201 HydrophobicContact CZ2-CE1 4.15Å; W159-Y201 AromaticContact CZ3-CD1 3.86Å; W159-Y201 HydrophobicContact CZ3-CD1 3.86Å; W159-Y201 AromaticContact CZ3-CE1 3.54Å; W159-Y201 HydrophobicContact CZ3-CE1 3.54Å; W159-C202 HydrophobicContact CB-CB 4.33Å; W159-I206 HydrophobicContact CB-CD1 4.2Å; W159-I206 HydrophobicContact CB-CG1 3.85Å
160A90.9Very high92.4Very high61 Ų6140.4 Ų40.450%0.50421%0.208SC..Hα-helixtrans-63.4-51.3-178.100000111.4N158 K163 E164N158-A160 PolarHBondContact O-N 3.1Å; A160-K163 PolarHBondContact O-N 2.96Å; A160-E164 PolarHBondContact O-N 2.99Å; A160-E164 VanDerWaalsContact O-N 3.14Å
161V93.3Very high92.3Very high39 Ų3942.9 Ų42.924%0.23623%0.229CC..Hα-helixtrans-71.3-34.1179.3-177.80000111.2F153 H165F153-V161 HydrophobicContact CD1-CB 4.34Å; F153-V161 HydrophobicContact CD1-CG1 3.99Å; F153-V161 HydrophobicContact CD2-CG1 3.68Å; F153-V161 HydrophobicContact CE1-CG1 4.04Å; F153-V161 HydrophobicContact CE2-CG1 3.73Å; F153-V161 HydrophobicContact CG-CB 4.29Å; F153-V161 HydrophobicContact CG-CG1 3.81Å; F153-V161 HydrophobicContact CZ-CG1 3.91Å; V161-H165 PolarHBondContact O-CD2 3.05Å; V161-H165 PolarHBondContact O-N 3.49Å
162A92.3Very high92.2Very high0 Ų044 Ų440%024%0.235CC..Hα-helixtrans-62.6-46.8173.900000111.6F153 F154 N158 W159 H165 L166F153-A162 HydrophobicContact CB-CB 3.8Å; F154-A162 HydrophobicContact CB-CB 4.28Å; N158-A162 WeakPolarHBondContact O-CB 3.47Å; N158-A162 PolarHBondContact O-N 3.13Å; W159-A162 PolarHBondContact O-N 3.19Å; A162-H165 PolarHBondContact O-N 3.3Å; A162-L166 WeakPolarHBondContact O-CB 3.4Å; A162-L166 WeakPolarHBondContact O-CG 3.39Å; A162-L166 PolarHBondContact O-N 3.03Å
163K92.2Very high92.1Very high56 Ų5643.6 Ų43.624%0.24323%0.232CC..Hα-helixtrans-57.9-50.7177.7-177179.4171.9-178.10110.9W159 A160 H165 L166 E167 C202 I206W159-K163 VanDerWaalsContact O-CB 3.25Å; W159-K163 WeakPolarHBondContact O-CB 3.3Å; W159-K163 PolarHBondContact O-N 3.29Å; A160-K163 PolarHBondContact O-N 2.96Å; K163-H165 PolarHBondContact O-N 2.97Å; K163-L166 PolarHBondContact O-N 2.87Å; K163-E167 VanDerWaalsContact CE-CD 3.42Å; K163-E167 WeakPolarHBondContact CE-OE1 3.37Å; K163-E167 HydrophobicContact CG-CG 4.18Å; K163-E167 IonicContact NZ-OE1 2.81Å; K163-E167 WeakPolarHBondContact O-CB 3.47Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.27Å; K163-C202 HydrophobicContact CB-CB 3.9Å; K163-I206 HydrophobicContact CB-CD1 4.48Å; K163-I206 HydrophobicContact CD-CD1 4.02Å
164E94Very high91.9Very high126 Ų12644.6 Ų44.659%0.58924%0.239SC*.Hα-helixtrans-55.4-47.6179.2-174.1-17116600112.3A160 S168A160-E164 PolarHBondContact O-N 2.99Å; A160-E164 VanDerWaalsContact O-N 3.14Å; E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.4Å; E164-S168 PolarHBondContact O-N 2.94Å
165H95.1Very high91.8Very high23 Ų2347 Ų4711%0.10626%0.255CS..Hα-helixtrans-70-34.4179.2-73.8-54.8000113.2Q146 R149 F153 V161 A162 K163 A169Q146-H165 PolarHBondContact OE1-ND1 3.14Å; R149-H165 PolarHBondContact NE-CE1 3.2Å; R149-H165 PolarHBondContact NE-NE2 3.27Å; F153-H165 AromaticContact CD2-CD2 3.63Å; F153-H165 AromaticContact CE2-CD2 3.78Å; F153-H165 AromaticContact CE2-NE2 3.78Å; V161-H165 PolarHBondContact O-CD2 3.05Å; V161-H165 PolarHBondContact O-N 3.49Å; A162-H165 PolarHBondContact O-N 3.3Å; K163-H165 PolarHBondContact O-N 2.97Å; H165-A169 WeakPolarHBondContact O-CB 3.48Å; H165-A169 PolarHBondContact O-N 3.46Å
166L94Very high91.7Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-72.6-41.1177-69.1172000111.9F154 A162 K163 A169 Q170 L195 Q198 I199F154-L166 HydrophobicContact CD2-CD1 4.44Å; A162-L166 WeakPolarHBondContact O-CB 3.4Å; A162-L166 WeakPolarHBondContact O-CG 3.39Å; A162-L166 PolarHBondContact O-N 3.03Å; K163-L166 PolarHBondContact O-N 2.87Å; L166-A169 WeakPolarHBondContact O-CB 3.27Å; L166-A169 PolarHBondContact O-N 2.95Å; L166-Q170 PolarHBondContact O-N 3.07Å; L166-L195 HydrophobicContact CD2-CD2 4.16Å; L166-Q198 HydrophobicContact CD1-CB 3.87Å; L166-I199 HydrophobicContact CB-CD1 4.14Å; L166-I199 HydrophobicContact CB-CG1 3.6Å; L166-I199 HydrophobicContact CD1-CG1 4.34Å
167E93.4Very high91.5Very high78 Ų7845.2 Ų45.236%0.36425%0.246SC..Hα-helixtrans-66.1-39.3173.8-72.8178.5158.100111.2K163 A169 Q170 A171 I199K163-E167 VanDerWaalsContact CE-CD 3.42Å; K163-E167 WeakPolarHBondContact CE-OE1 3.37Å; K163-E167 HydrophobicContact CG-CG 4.18Å; K163-E167 IonicContact NZ-OE1 2.81Å; K163-E167 WeakPolarHBondContact O-CB 3.47Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.27Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 3.28Å; E167-Q170 PolarHBondContact O-N 3.12Å; E167-A171 WeakPolarHBondContact O-CB 3.22Å; E167-A171 PolarHBondContact O-N 3.27Å; E167-I199 HydrophobicContact CG-CD1 4.26Å; E167-I199 HydrophobicContact CG-CG1 4.49Å; E167-I199 HydrophobicContact CG-CG2 3.91Å
168S93.6Very high91.5Very high46 Ų4647.9 Ų47.932%0.32226%0.258SS..Hα-helixtrans-61.4-41.4171.6-179.60000111.7E164 I172E164-S168 VanDerWaalsContact O-CB 3.22Å; E164-S168 WeakPolarHBondContact O-CB 3.4Å; E164-S168 PolarHBondContact O-N 2.94Å; S168-I172 WeakPolarHBondContact O-CD1 3.15Å; S168-I172 VanDerWaalsContact O-CG1 3.26Å; S168-I172 WeakPolarHBondContact O-CG1 3.29Å; S168-I172 PolarHBondContact O-N 2.56Å; S168-I172 VanDerWaalsContact O-N 3.15Å
169A93.5Very high91Very high0 Ų050.1 Ų50.10%027%0.268CS..Hα-helixtrans-64.4-42.8174.500000111.9Q146 W147 H165 L166 E167 I172 Y173 L195Q146-A169 HydrophobicContact CB-CB 3.83Å; W147-A169 HydrophobicContact CB-CB 4.21Å; H165-A169 WeakPolarHBondContact O-CB 3.48Å; H165-A169 PolarHBondContact O-N 3.46Å; L166-A169 WeakPolarHBondContact O-CB 3.27Å; L166-A169 PolarHBondContact O-N 2.95Å; E167-A169 VanDerWaalsContact C-N 3.33Å; E167-A169 PolarHBondContact O-N 3.28Å; A169-I172 PolarHBondContact O-N 2.97Å; A169-Y173 WeakPolarHBondContact O-CD2 3.47Å; A169-Y173 PolarHBondContact O-N 2.96Å; A169-L195 HydrophobicContact CB-CD1 4.27Å
170Q92Very high90.5Very high42 Ų4248.9 Ų48.920%0.19627%0.265CS..Hα-helixtrans-59.7-49.9175.9-178.7-179.1-0.400111.2L166 E167 I172 Y173 D174 I192 L195 I199L166-Q170 PolarHBondContact O-N 3.07Å; E167-Q170 PolarHBondContact O-N 3.12Å; Q170-I172 VanDerWaalsContact C-N 3.3Å; Q170-I172 PolarHBondContact O-N 2.91Å; Q170-Y173 CarbonylContact O-C 3.54Å; Q170-Y173 WeakPolarHBondContact O-CA 3.5Å; Q170-Y173 PolarHBondContact O-N 2.93Å; Q170-D174 PolarHBondContact O-N 3.03Å; Q170-I192 HydrophobicContact CG-CG2 4.14Å; Q170-L195 HydrophobicContact CB-CD1 4.5Å; Q170-I199 HydrophobicContact CB-CD1 4.25Å
171A91.9Very high90Very high52 Ų5252.3 Ų52.343%0.4327%0.274SS..Hα-helixtrans-59.7-39.1-179.800000112.5E167 D174 V175E167-A171 WeakPolarHBondContact O-CB 3.22Å; E167-A171 PolarHBondContact O-N 3.27Å; A171-D174 PolarHBondContact O-N 2.91Å; A171-V175 WeakPolarHBondContact O-CG2 3.29Å; A171-V175 PolarHBondContact O-N 3.14Å; A171-V175 VanDerWaalsContact O-N 3.07Å
172I90.6Very high89.3Confident34 Ų3458.2 Ų58.217%0.17430%0.3CS..Hα-helixtrans-68.8-39.5175.5-59162.8000110.6L139 R142 A143 Q146 S168 A169 Q170 D174 V175 L176L139-I172 HydrophobicContact CB-CG2 4.35Å; L139-I172 HydrophobicContact CD2-CG2 4.48Å; L139-I172 WeakPolarHBondContact O-CG2 3.42Å; R142-I172 HydrophobicContact CB-CD1 4.49Å; A143-I172 HydrophobicContact CB-CB 3.94Å; A143-I172 HydrophobicContact CB-CG2 3.7Å; Q146-I172 HydrophobicContact CG-CD1 4.19Å; S168-I172 WeakPolarHBondContact O-CD1 3.15Å; S168-I172 VanDerWaalsContact O-CG1 3.26Å; S168-I172 WeakPolarHBondContact O-CG1 3.29Å; S168-I172 PolarHBondContact O-N 2.56Å; S168-I172 VanDerWaalsContact O-N 3.15Å; A169-I172 PolarHBondContact O-N 2.97Å; Q170-I172 VanDerWaalsContact C-N 3.3Å; Q170-I172 PolarHBondContact O-N 2.91Å; I172-D174 VanDerWaalsContact C-N 3.34Å; I172-V175 PolarHBondContact O-N 3.23Å; I172-L176 HydrophobicContact CG2-CD1 4.23Å; I172-L176 WeakPolarHBondContact O-CG 3.37Å; I172-L176 PolarHBondContact O-N 3.37Å
173Y92.4Very high88.5Confident2 Ų265.7 Ų65.71%0.00834%0.339CS..Hα-helixtrans-66.7-33.2174.8-74.2-50.7000113L17 A143 A169 Q170 L176 L177 Y188 R191 L195L17-Y173 HydrophobicContact CD2-CD1 4.43Å; L17-Y173 HydrophobicContact CD2-CE1 4.02Å; A143-Y173 HydrophobicContact CB-CD1 3.89Å; A143-Y173 HydrophobicContact CB-CD2 4.25Å; A143-Y173 HydrophobicContact CB-CE1 3.53Å; A143-Y173 HydrophobicContact CB-CE2 3.93Å; A143-Y173 HydrophobicContact CB-CG 4.23Å; A169-Y173 WeakPolarHBondContact O-CD2 3.47Å; A169-Y173 PolarHBondContact O-N 2.96Å; Q170-Y173 CarbonylContact O-C 3.54Å; Q170-Y173 WeakPolarHBondContact O-CA 3.5Å; Q170-Y173 PolarHBondContact O-N 2.93Å; Y173-L176 HydrophobicContact CD1-CD1 3.94Å; Y173-L176 HydrophobicContact CE1-CD1 4.4Å; Y173-L176 PolarHBondContact O-N 3.38Å; Y173-L177 WeakPolarHBondContact O-CB 3.25Å; Y173-L177 PolarHBondContact O-N 3.25Å; Y173-Y188 AromaticContact CD1-CD1 3.79Å; Y173-Y188 HydrophobicContact CD1-CD1 3.79Å; Y173-Y188 HydrophobicContact CD1-CE1 4.27Å; Y173-Y188 HydrophobicContact CE1-CD1 4.29Å; Y173-Y188 HydrophobicContact CE1-CE1 4.45Å; Y173-R191 HydrophobicContact CD2-CG 3.95Å; Y173-R191 HydrophobicContact CE2-CG 3.61Å; Y173-L195 HydrophobicContact CD2-CD1 4.11Å; Y173-L195 HydrophobicContact CE2-CD1 4.33Å
174D89.7Confident87.8Confident62 Ų6265.1 Ų65.133%0.33234%0.343SS..Hα-helixtrans-66.4-41.1173.7-74.9-33.7000111.4Q170 A171 I172 L177 Q178 I192Q170-D174 PolarHBondContact O-N 3.03Å; A171-D174 PolarHBondContact O-N 2.91Å; I172-D174 VanDerWaalsContact C-N 3.34Å; D174-L177 WeakPolarHBondContact O-CB 3.25Å; D174-L177 PolarHBondContact O-N 2.75Å; D174-Q178 PolarHBondContact O-N 3.37Å; D174-I192 WeakPolarHBondContact OD1-CD1 3.12Å
175V89.5Confident87.3Confident62 Ų6262.4 Ų62.438%0.37633%0.33SS..Hα-helixtrans-63.5-42.4173.1172.90000110.8A171 I172 L177 Q178 M179A171-V175 WeakPolarHBondContact O-CG2 3.29Å; A171-V175 PolarHBondContact O-N 3.14Å; A171-V175 VanDerWaalsContact O-N 3.07Å; I172-V175 PolarHBondContact O-N 3.23Å; V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 PolarHBondContact O-N 3.23Å; V175-Q178 PolarHBondContact O-N 3.24Å; V175-M179 HydrophobicContact CG1-CE 3.47Å; V175-M179 VanDerWaalsContact CG1-CE 3.47Å; V175-M179 HydrophobicContact CG1-SD 4.13Å; V175-M179 WeakPolarHBondContact O-CG 3.4Å; V175-M179 PolarHBondContact O-N 3.37Å
176L87.4Confident86.8Confident0 Ų064.5 Ų64.50%035%0.351CS..Hα-helixtrans-63.3-36175.3-75.3165.7000112.3Q136 L139 E140 I172 Y173 Q178 M179 V180 Y188Q136-L176 HydrophobicContact CG-CD2 3.78Å; L139-L176 HydrophobicContact CB-CD1 4.45Å; L139-L176 HydrophobicContact CB-CD2 3.86Å; L139-L176 HydrophobicContact CB-CG 4.29Å; L139-L176 HydrophobicContact CD1-CD2 4.46Å; E140-L176 HydrophobicContact CB-CD1 4.36Å; E140-L176 HydrophobicContact CG-CD1 3.67Å; E140-L176 HydrophobicContact CG-CD2 4.06Å; I172-L176 HydrophobicContact CG2-CD1 4.23Å; I172-L176 WeakPolarHBondContact O-CG 3.37Å; I172-L176 PolarHBondContact O-N 3.37Å; Y173-L176 HydrophobicContact CD1-CD1 3.94Å; Y173-L176 HydrophobicContact CE1-CD1 4.4Å; Y173-L176 PolarHBondContact O-N 3.38Å; L176-Q178 PolarHBondContact O-N 3.48Å; L176-M179 PolarHBondContact O-N 2.82Å; L176-M179 VanDerWaalsContact O-N 3.09Å; L176-V180 WeakPolarHBondContact O-CG2 3.43Å; L176-V180 PolarHBondContact O-N 3.04Å; L176-Y188 HydrophobicContact CB-CD1 4.42Å; L176-Y188 HydrophobicContact CB-CE1 4.39Å; L176-Y188 HydrophobicContact CD1-CE1 4.29Å
177L86.9Confident86.4Confident44 Ų4466.1 Ų66.123%0.2336%0.361CS..Hα-helixtrans-60.7-32.6177.6-168.971.8000112.1Y173 D174 V175 Q185 K189Y173-L177 WeakPolarHBondContact O-CB 3.25Å; Y173-L177 PolarHBondContact O-N 3.25Å; D174-L177 WeakPolarHBondContact O-CB 3.25Å; D174-L177 PolarHBondContact O-N 2.75Å; V175-L177 VanDerWaalsContact C-N 3.31Å; V175-L177 PolarHBondContact O-N 3.23Å; L177-Q185 HydrophobicContact CD1-CB 3.66Å; L177-Q185 HydrophobicContact CD1-CG 3.83Å; L177-Q185 WeakPolarHBondContact CD1-O 3.33Å; L177-Q185 PolarHBondContact O-NE2 2.99Å; L177-K189 HydrophobicContact CD1-CB 4.5Å
178Q86Confident86.1Confident169 Ų16962.6 Ų62.679%0.7935%0.345SS*.Hα-helixtrans-78.3-22.6177.1-63.6176.70.700113.5D174 V175 L176D174-Q178 PolarHBondContact O-N 3.37Å; V175-Q178 PolarHBondContact O-N 3.24Å; L176-Q178 PolarHBondContact O-N 3.48Å
179M82.6Confident85.8Confident116 Ų11666.5 Ų66.557%0.57136%0.356SS*.Hα-helixtrans-93.4-16.1-175.3-68178.8179.100113.7L139 V175 L176L139-M179 HydrophobicContact CD1-CE 4.49Å; L139-M179 HydrophobicContact CD1-SD 4.08Å; V175-M179 HydrophobicContact CG1-CE 3.47Å; V175-M179 VanDerWaalsContact CG1-CE 3.47Å; V175-M179 HydrophobicContact CG1-SD 4.13Å; V175-M179 WeakPolarHBondContact O-CG 3.4Å; V175-M179 PolarHBondContact O-N 3.37Å; L176-M179 PolarHBondContact O-N 2.82Å; L176-M179 VanDerWaalsContact O-N 3.09Å
180V79.8Confident85.4Confident14 Ų1467.7 Ų67.79%0.08536%0.364CS..SBendtrans-108.9148.1-168.8178.20000112Q136 L176 Q185 Y188Q136-V180 HydrophobicContact CG-CG2 4.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.43Å; L176-V180 PolarHBondContact O-N 3.04Å; V180-Q185 PolarHBondContact O-NE2 3.05Å; V180-Y188 HydrophobicContact CB-CE2 4.3Å; V180-Y188 HydrophobicContact CG1-CE2 4.02Å; V180-Y188 HydrophobicContact CG2-CE2 4.1Å
181D79.8Confident85.2Confident133 Ų13365.9 Ų65.971%0.71136%0.355SS*.  trans-58150.8175.8-55.3-41.8000113.7D183 S184 Q185D181-D183 VanDerWaalsContact C-N 3.27Å; D181-D183 PolarHBondContact O-N 3.04Å; D181-D183 VanDerWaalsContact O-N 3.12Å; D181-S184 PolarHBondContact O-N 3.45Å; D181-Q185 WeakPolarHBondContact O-CG 3.38Å; D181-Q185 PolarHBondContact O-N 3.35Å
182E77.7Confident85Confident164 Ų16464 Ų6477%0.76634%0.338SS*.Hα-helixtrans-52.1-37.9-174.3-66.8-174.1166.700114S184 Q185E182-S184 VanDerWaalsContact C-N 3.29Å; E182-S184 PolarHBondContact O-N 2.98Å; E182-Q185 WeakPolarHBondContact O-CB 3.49Å; E182-Q185 PolarHBondContact O-N 3.49Å
183D77.2Confident84.8Confident156 Ų15665.4 Ų65.483%0.83435%0.346SS*.Hα-helixtrans-62.6-34-179.5-73.7-20.3000113.2D181D181-D183 VanDerWaalsContact C-N 3.27Å; D181-D183 PolarHBondContact O-N 3.04Å; D181-D183 VanDerWaalsContact O-N 3.12Å
184S76.9Confident84.5Confident45 Ų4566.4 Ų66.432%0.31535%0.351SS..Hα-helixtrans-92.6-17.1-178.7-72.10000112.8D181 E182 A186 V187 Y188D181-S184 PolarHBondContact O-N 3.45Å; E182-S184 VanDerWaalsContact C-N 3.29Å; E182-S184 PolarHBondContact O-N 2.98Å; S184-A186 PolarHBondContact O-N 3.5Å; S184-V187 PolarHBondContact O-N 2.93Å; S184-V187 VanDerWaalsContact O-N 3.17Å; S184-Y188 WeakPolarHBondContact O-CD2 3.11Å
185Q82.7Confident84.4Confident68 Ų6863.4 Ų63.432%0.31834%0.336SS..Hα-helixtrans-57.8-34.2178-73.5179.64.300112.9L177 V180 D181 E182 V187 Y188 K189L177-Q185 HydrophobicContact CD1-CB 3.66Å; L177-Q185 HydrophobicContact CD1-CG 3.83Å; L177-Q185 WeakPolarHBondContact CD1-O 3.33Å; L177-Q185 PolarHBondContact O-NE2 2.99Å; V180-Q185 PolarHBondContact O-NE2 3.05Å; D181-Q185 WeakPolarHBondContact O-CG 3.38Å; D181-Q185 PolarHBondContact O-N 3.35Å; E182-Q185 WeakPolarHBondContact O-CB 3.49Å; E182-Q185 PolarHBondContact O-N 3.49Å; Q185-V187 PolarHBondContact O-N 3.35Å; Q185-Y188 PolarHBondContact O-N 2.97Å; Q185-K189 WeakPolarHBondContact O-CB 3.47Å; Q185-K189 PolarHBondContact O-N 3.28Å
186A85.1Confident84.3Confident67 Ų6762.2 Ų62.255%0.55433%0.327SS*.Hα-helixtrans-56.9-36.5178.800000112.9S184 S190S184-A186 PolarHBondContact O-N 3.5Å; A186-S190 WeakPolarHBondContact O-CB 3.49Å; A186-S190 PolarHBondContact O-N 3.44Å
187V85.6Confident84.2Confident35 Ų3562.6 Ų62.621%0.21233%0.329CS..Hα-helixtrans-72.1-40.3-178.6-174.70000111.3L17 K21 S184 Q185 R191L17-V187 HydrophobicContact CD2-CG1 3.93Å; L17-V187 HydrophobicContact CG-CG1 3.82Å; K21-V187 HydrophobicContact CB-CG1 4.19Å; K21-V187 HydrophobicContact CD-CG1 4.05Å; K21-V187 HydrophobicContact CG-CG1 4.02Å; S184-V187 PolarHBondContact O-N 2.93Å; S184-V187 VanDerWaalsContact O-N 3.17Å; Q185-V187 PolarHBondContact O-N 3.35Å; V187-R191 PolarHBondContact O-N 2.87Å; V187-R191 VanDerWaalsContact O-N 3.08Å
188Y87.1Confident84.2Confident4 Ų461.4 Ų61.42%0.01632%0.322CS..Hα-helixtrans-68.9-47.6177.3-64.3-72.4000111.6L17 E140 Y173 L176 V180 S184 Q185 S190 R191 I192L17-Y188 HydrophobicContact CB-CE1 4.06Å; L17-Y188 HydrophobicContact CD2-CD1 3.36Å; L17-Y188 HydrophobicContact CD2-CE1 3.63Å; L17-Y188 HydrophobicContact CD2-CG 4.09Å; L17-Y188 HydrophobicContact CG-CE1 4.5Å; E140-Y188 HydrophobicContact CG-CE1 4.21Å; E140-Y188 PolarHBondContact OE1-OH 3.35Å; E140-Y188 PolarHBondContact OE2-OH 3.33Å; Y173-Y188 AromaticContact CD1-CD1 3.79Å; Y173-Y188 HydrophobicContact CD1-CD1 3.79Å; Y173-Y188 HydrophobicContact CD1-CE1 4.27Å; Y173-Y188 HydrophobicContact CE1-CD1 4.29Å; Y173-Y188 HydrophobicContact CE1-CE1 4.45Å; L176-Y188 HydrophobicContact CB-CD1 4.42Å; L176-Y188 HydrophobicContact CB-CE1 4.39Å; L176-Y188 HydrophobicContact CD1-CE1 4.29Å; V180-Y188 HydrophobicContact CB-CE2 4.3Å; V180-Y188 HydrophobicContact CG1-CE2 4.02Å; V180-Y188 HydrophobicContact CG2-CE2 4.1Å; S184-Y188 WeakPolarHBondContact O-CD2 3.11Å; Q185-Y188 PolarHBondContact O-N 2.97Å; Y188-S190 VanDerWaalsContact C-N 3.31Å; Y188-S190 PolarHBondContact O-N 2.57Å; Y188-R191 CarbonylContact O-C 3.34Å; Y188-R191 WeakPolarHBondContact O-CA 3.36Å; Y188-R191 WeakPolarHBondContact O-CB 3.39Å; Y188-R191 PolarHBondContact O-N 3.42Å; Y188-I192 WeakPolarHBondContact O-CG1 3.35Å; Y188-I192 PolarHBondContact O-N 3.45Å
189K87.3Confident84.3Confident127 Ų12753.9 Ų53.955%0.55229%0.287SS*.Hα-helixtrans-56.1-47.9175.5-173.4173.9-178.1176.40111.1L177 Q185 R191 I192 D193L177-K189 HydrophobicContact CD1-CB 4.5Å; Q185-K189 WeakPolarHBondContact O-CB 3.47Å; Q185-K189 PolarHBondContact O-N 3.28Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.46Å; K189-I192 PolarHBondContact O-N 2.97Å; K189-I192 VanDerWaalsContact O-N 3.1Å; K189-D193 VanDerWaalsContact O-CG 3.24Å; K189-D193 PolarHBondContact O-N 3.23Å
190S86.2Confident84.5Confident25 Ų2551.3 Ų51.318%0.17527%0.271CS..Hα-helixtrans-58.6-35.8174.7176.50000112.7K21 A186 Y188 D194K21-S190 PolarHBondContact NZ-OG 3.21Å; A186-S190 WeakPolarHBondContact O-CB 3.49Å; A186-S190 PolarHBondContact O-N 3.44Å; Y188-S190 VanDerWaalsContact C-N 3.31Å; Y188-S190 PolarHBondContact O-N 2.57Å; S190-D194 PolarHBondContact O-N 3.15Å; S190-D194 VanDerWaalsContact O-N 3.09Å; S190-D194 VanDerWaalsContact O-OD2 3.07Å
191R87.2Confident84.6Confident4 Ų450.8 Ų50.82%0.01527%0.268CS..Hα-helixtrans-70.5-42174.9176.756.766.7103-1.6111.8L17 W147 Y173 V187 Y188 K189 D193 D194 L195L17-R191 HydrophobicContact CD1-CB 4.28Å; L17-R191 HydrophobicContact CD1-CG 4.15Å; L17-R191 HydrophobicContact CD2-CB 3.87Å; L17-R191 HydrophobicContact CD2-CG 4.34Å; W147-R191 VanDerWaalsContact CE3-NH1 3.29Å; Y173-R191 HydrophobicContact CD2-CG 3.95Å; Y173-R191 HydrophobicContact CE2-CG 3.61Å; V187-R191 PolarHBondContact O-N 2.87Å; V187-R191 VanDerWaalsContact O-N 3.08Å; Y188-R191 CarbonylContact O-C 3.34Å; Y188-R191 WeakPolarHBondContact O-CA 3.36Å; Y188-R191 WeakPolarHBondContact O-CB 3.39Å; Y188-R191 PolarHBondContact O-N 3.42Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.46Å; R191-D193 VanDerWaalsContact C-N 3.31Å; R191-D193 PolarHBondContact O-N 3.41Å; R191-D194 WeakPolarHBondContact O-CB 3.2Å; R191-D194 PolarHBondContact O-N 3.36Å; R191-D194 VanDerWaalsContact O-N 3.16Å; R191-L195 WeakPolarHBondContact O-CG 3.45Å; R191-L195 PolarHBondContact O-N 3.39Å; R191-L195 VanDerWaalsContact O-N 3.09Å
192I88.2Confident84.9Confident14 Ų1444.5 Ų44.57%0.07223%0.234CC..Hα-helixtrans-59-46.3176.1-69.2156.2000110.1Q170 D174 Y188 K189 D194 L195 L196Q170-I192 HydrophobicContact CG-CG2 4.14Å; D174-I192 WeakPolarHBondContact OD1-CD1 3.12Å; Y188-I192 WeakPolarHBondContact O-CG1 3.35Å; Y188-I192 PolarHBondContact O-N 3.45Å; K189-I192 PolarHBondContact O-N 2.97Å; K189-I192 VanDerWaalsContact O-N 3.1Å; I192-D194 VanDerWaalsContact C-N 3.27Å; I192-D194 PolarHBondContact O-N 3.34Å; I192-L195 PolarHBondContact O-N 2.89Å; I192-L196 PolarHBondContact O-N 3.13Å; I192-L196 VanDerWaalsContact O-N 3.1Å
193D86.6Confident85.2Confident62 Ų6237 Ų3733%0.33220%0.201SC..Hα-helixtrans-60.7-36176.2-63.9-26.3000111.8K189 R191 P197K189-D193 VanDerWaalsContact O-CG 3.24Å; K189-D193 PolarHBondContact O-N 3.23Å; R191-D193 VanDerWaalsContact C-N 3.31Å; R191-D193 PolarHBondContact O-N 3.41Å; D193-P197 WeakPolarHBondContact O-CD 3.46Å
194D85.3Confident85.5Confident23 Ų2330.8 Ų30.812%0.12317%0.167CC..Hα-helixtrans-69.4-28.9175.2-63-28.7000113.2K21 S190 R191 I192 S230K21-D194 IonicContact NZ-OD2 3.18Å; K21-D194 PolarHBondContact NZ-OD2 3.19Å; S190-D194 PolarHBondContact O-N 3.15Å; S190-D194 VanDerWaalsContact O-N 3.09Å; S190-D194 VanDerWaalsContact O-OD2 3.07Å; R191-D194 WeakPolarHBondContact O-CB 3.2Å; R191-D194 PolarHBondContact O-N 3.36Å; R191-D194 VanDerWaalsContact O-N 3.16Å; I192-D194 VanDerWaalsContact C-N 3.27Å; I192-D194 PolarHBondContact O-N 3.34Å; D194-S230 PolarHBondContact OD1-OG 3.21Å
195L87.4Confident85.6Confident0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-80.1-32.2179.2-63.4179.8000112.6W147 L166 A169 Q170 Y173 R191 I192 Q198 I199W147-L195 HydrophobicContact CG-CD2 4.3Å; L166-L195 HydrophobicContact CD2-CD2 4.16Å; A169-L195 HydrophobicContact CB-CD1 4.27Å; Q170-L195 HydrophobicContact CB-CD1 4.5Å; Y173-L195 HydrophobicContact CD2-CD1 4.11Å; Y173-L195 HydrophobicContact CE2-CD1 4.33Å; R191-L195 WeakPolarHBondContact O-CG 3.45Å; R191-L195 PolarHBondContact O-N 3.39Å; R191-L195 VanDerWaalsContact O-N 3.09Å; I192-L195 PolarHBondContact O-N 2.89Å; L195-Q198 WeakPolarHBondContact O-CB 3.49Å; L195-Q198 PolarHBondContact O-N 2.87Å; L195-I199 HydrophobicContact CB-CD1 4.26Å; L195-I199 PolarHBondContact O-N 2.95Å
196L87.6Confident85.7Confident37 Ų3731.4 Ų31.419%0.19417%0.17CC..Hα-helixtrans-58.5-41.5-169.6-167.960.4000113.6I192 Q198 I199 R200 M218I192-L196 PolarHBondContact O-N 3.13Å; I192-L196 VanDerWaalsContact O-N 3.1Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.36Å; L196-I199 PolarHBondContact O-N 2.85Å; L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 3.22Å; L196-M218 HydrophobicContact CD2-CE 3.28Å; L196-M218 HydrophobicContact CD2-SD 4.13Å; L196-M218 HydrophobicContact CG-CE 3.68Å; L196-M218 HydrophobicContact CG-SD 4.12Å
197P85.3Confident85.2Confident7 Ų731.1 Ų31.15%0.04517%0.173CC..Hα-helixtrans-59.6-38.4171.9-27.736.5000114D193 Y201 L215 L234 L237D193-P197 WeakPolarHBondContact O-CD 3.46Å; P197-Y201 VanDerWaalsContact O-CB 3.29Å; P197-Y201 WeakPolarHBondContact O-CB 3.4Å; P197-Y201 PolarHBondContact O-N 3.45Å; P197-L215 HydrophobicContact CB-CD2 4.13Å; P197-L215 WeakPolarHBondContact O-CD2 3.44Å; P197-L234 HydrophobicContact CB-CD1 4.14Å; P197-L237 HydrophobicContact CB-CD1 4.49Å
198Q86.8Confident84.6Confident19 Ų1932.6 Ų32.69%0.08918%0.18CC..Hα-helixtrans-71-40.2-179.2-64.4174.343.700111.1F154 L166 L195 L196 Y201 C202 L237F154-Q198 HydrophobicContact CD2-CB 4.35Å; F154-Q198 HydrophobicContact CE2-CB 4.04Å; F154-Q198 HydrophobicContact CE2-CG 4.41Å; L166-Q198 HydrophobicContact CD1-CB 3.87Å; L195-Q198 WeakPolarHBondContact O-CB 3.49Å; L195-Q198 PolarHBondContact O-N 2.87Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.36Å; Q198-Y201 PolarHBondContact O-N 2.97Å; Q198-C202 PolarHBondContact O-N 3Å; Q198-C202 PolarHBondContact O-SG 2.79Å; Q198-L237 HydrophobicContact CG-CD1 4.27Å
199I88.4Confident83.6Confident11 Ų1140.1 Ų40.16%0.05622%0.215CC..Hα-helixtrans-62-48.6176.3-66.7170.6000110.2L166 E167 Q170 L195 L196 Y201 C202 A203L166-I199 HydrophobicContact CB-CD1 4.14Å; L166-I199 HydrophobicContact CB-CG1 3.6Å; L166-I199 HydrophobicContact CD1-CG1 4.34Å; E167-I199 HydrophobicContact CG-CD1 4.26Å; E167-I199 HydrophobicContact CG-CG1 4.49Å; E167-I199 HydrophobicContact CG-CG2 3.91Å; Q170-I199 HydrophobicContact CB-CD1 4.25Å; L195-I199 HydrophobicContact CB-CD1 4.26Å; L195-I199 PolarHBondContact O-N 2.95Å; L196-I199 PolarHBondContact O-N 2.85Å; I199-Y201 PolarHBondContact O-N 3.27Å; I199-C202 WeakPolarHBondContact O-CB 3.42Å; I199-C202 PolarHBondContact O-N 2.95Å; I199-A203 PolarHBondContact O-N 3.36Å
200R85.5Confident82.9Confident62 Ų6238.2 Ų38.223%0.23421%0.214CC..Hα-helixtrans-65-38.6178.6-69.2179.7-178.8-83.113.6112.3L196 C202 A203 H204 A211 D214 L215L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 3.22Å; R200-C202 VanDerWaalsContact C-N 3.32Å; R200-C202 PolarHBondContact O-N 2.84Å; R200-A203 PolarHBondContact O-N 3.01Å; R200-H204 PolarHBondContact O-N 3.1Å; R200-A211 HydrophobicContact CB-CB 4.32Å; R200-A211 WeakPolarHBondContact O-CB 3.3Å; R200-D214 IonicContact CZ-OD2 2.77Å; R200-D214 VanDerWaalsContact NH1-CG 3.3Å; R200-D214 IonicContact NH1-OD2 3.42Å; R200-D214 PolarHBondContact NH1-OD2 2.85Å; R200-D214 IonicContact NH2-OD2 3.26Å; R200-L215 HydrophobicContact CB-CD1 4.38Å; R200-L215 HydrophobicContact CB-CD2 3.71Å; R200-L215 HydrophobicContact CB-CG 3.82Å
201Y82.1Confident81.9Confident4 Ų437.1 Ų37.12%0.01621%0.207CC..Hα-helixtrans-63.4-38.8174-177.7-91.6000112.6F154 W159 P197 Q198 I199 S205 L215 L237 Q240 A241F154-Y201 AromaticContact CE2-CD1 3.75Å; F154-Y201 HydrophobicContact CE2-CD1 3.75Å; F154-Y201 AromaticContact CZ-CD1 3.61Å; F154-Y201 HydrophobicContact CZ-CD1 3.61Å; F154-Y201 HydrophobicContact CZ-CE1 4.15Å; F154-Y201 HydrophobicContact CZ-CG 4.36Å; W159-Y201 HydrophobicContact CE3-CD1 4.3Å; W159-Y201 HydrophobicContact CE3-CE1 4.21Å; W159-Y201 HydrophobicContact CH2-CD1 4.31Å; W159-Y201 AromaticContact CH2-CE1 3.52Å; W159-Y201 HydrophobicContact CH2-CE1 3.52Å; W159-Y201 HydrophobicContact CZ2-CE1 4.15Å; W159-Y201 AromaticContact CZ3-CD1 3.86Å; W159-Y201 HydrophobicContact CZ3-CD1 3.86Å; W159-Y201 AromaticContact CZ3-CE1 3.54Å; W159-Y201 HydrophobicContact CZ3-CE1 3.54Å; P197-Y201 VanDerWaalsContact O-CB 3.29Å; P197-Y201 WeakPolarHBondContact O-CB 3.4Å; P197-Y201 PolarHBondContact O-N 3.45Å; Q198-Y201 PolarHBondContact O-N 2.97Å; I199-Y201 PolarHBondContact O-N 3.27Å; Y201-S205 WeakPolarHBondContact O-CB 3.29Å; Y201-S205 PolarHBondContact O-N 2.86Å; Y201-S205 PolarHBondContact O-OG 2.97Å; Y201-S205 VanDerWaalsContact O-OG 3.05Å; Y201-L215 HydrophobicContact CD2-CD1 4.44Å; Y201-L237 HydrophobicContact CD1-CD2 4.05Å; Y201-L237 HydrophobicContact CD2-CB 3.68Å; Y201-L237 HydrophobicContact CD2-CD2 4.09Å; Y201-L237 HydrophobicContact CD2-CG 4.31Å; Y201-L237 HydrophobicContact CE1-CD2 4.29Å; Y201-L237 HydrophobicContact CE2-CB 4.22Å; Y201-L237 HydrophobicContact CE2-CD2 4.31Å; Y201-L237 WeakPolarHBondContact CE2-O 3.45Å; Y201-L237 HydrophobicContact CG-CB 4.11Å; Y201-L237 HydrophobicContact CG-CD1 4.2Å; Y201-L237 HydrophobicContact CG-CD2 3.95Å; Y201-L237 HydrophobicContact CG-CG 4.29Å; Y201-Q240 HydrophobicContact CE2-CB 4.08Å; Y201-Q240 WeakPolarHBondContact OH-CB 3.42Å; Y201-Q240 PolarHBondContact OH-OE1 3.43Å; Y201-A241 HydrophobicContact CD2-CB 4.45Å; Y201-A241 HydrophobicContact CE2-CB 4.03Å
202C86Confident80.7Confident0 Ų037.6 Ų37.60%021%0.211CC..Hα-helixtrans-63-45172.6-650000111F154 W159 K163 Q198 I199 R200 S205 I206F154-C202 WeakPolarHBondContact CD2-SG 3.41Å; W159-C202 HydrophobicContact CB-CB 4.33Å; K163-C202 HydrophobicContact CB-CB 3.9Å; Q198-C202 PolarHBondContact O-N 3Å; Q198-C202 PolarHBondContact O-SG 2.79Å; I199-C202 WeakPolarHBondContact O-CB 3.42Å; I199-C202 PolarHBondContact O-N 2.95Å; R200-C202 VanDerWaalsContact C-N 3.32Å; R200-C202 PolarHBondContact O-N 2.84Å; C202-S205 PolarHBondContact O-N 3.02Å; C202-I206 WeakPolarHBondContact O-CD1 3.35Å; C202-I206 VanDerWaalsContact O-CG1 3.23Å; C202-I206 WeakPolarHBondContact O-CG1 3.45Å; C202-I206 PolarHBondContact O-N 3.35Å
203A85.3Confident79.7Confident8 Ų839.8 Ų39.87%0.06623%0.226CC..Hα-helixtrans-60.5-46.4177.500000112.1I199 R200 S205 I206 G207 D208 A211I199-A203 PolarHBondContact O-N 3.36Å; R200-A203 PolarHBondContact O-N 3.01Å; A203-S205 VanDerWaalsContact C-N 3.33Å; A203-S205 PolarHBondContact O-N 3.41Å; A203-I206 PolarHBondContact O-N 2.95Å; A203-I206 VanDerWaalsContact O-N 3.1Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-D208 HydrophobicContact CB-CB 4.23Å; A203-D208 WeakPolarHBondContact O-CB 3.43Å; A203-D208 PolarHBondContact O-N 2.96Å; A203-A211 HydrophobicContact CB-CB 3.87Å
204H82.2Confident79Confident25 Ų2538.6 Ų38.612%0.11622%0.219CC..Hα-helixtrans-59.1-43.9174.7176.4-113.1000112R200 I206 G207 D208 A211 A212R200-H204 PolarHBondContact O-N 3.1Å; H204-I206 PolarHBondContact O-N 2.91Å; H204-G207 PolarHBondContact O-N 2.82Å; H204-D208 WeakPolarHBondContact CA-O 3.31Å; H204-A211 HydrophobicContact CB-CB 4.07Å; H204-A212 VanDerWaalsContact CD2-CB 3.45Å; H204-A212 WeakPolarHBondContact CD2-CB 3.22Å
205S80Confident78.2Confident29 Ų2937.6 Ų37.620%0.20321%0.214CC..Hα-helixtrans-68.9-17.7178.6-64.80000114Y201 C202 A203 K244Y201-S205 WeakPolarHBondContact O-CB 3.29Å; Y201-S205 PolarHBondContact O-N 2.86Å; Y201-S205 PolarHBondContact O-OG 2.97Å; Y201-S205 VanDerWaalsContact O-OG 3.05Å; C202-S205 PolarHBondContact O-N 3.02Å; A203-S205 VanDerWaalsContact C-N 3.33Å; A203-S205 PolarHBondContact O-N 3.41Å; S205-K244 PolarHBondContact OG-NZ 3.4Å
206I83.6Confident77.2Confident97 Ų9738.8 Ų38.850%0.49722%0.219SC..Hα-helixtrans-83.3-21.7172.8-67.4162.2000111.1W159 K163 C202 A203 H204W159-I206 HydrophobicContact CB-CD1 4.2Å; W159-I206 HydrophobicContact CB-CG1 3.85Å; K163-I206 HydrophobicContact CB-CD1 4.48Å; K163-I206 HydrophobicContact CD-CD1 4.02Å; C202-I206 WeakPolarHBondContact O-CD1 3.35Å; C202-I206 VanDerWaalsContact O-CG1 3.23Å; C202-I206 WeakPolarHBondContact O-CG1 3.45Å; C202-I206 PolarHBondContact O-N 3.35Å; A203-I206 PolarHBondContact O-N 2.95Å; A203-I206 VanDerWaalsContact O-N 3.1Å; H204-I206 PolarHBondContact O-N 2.91Å
207G76.3Confident76.3Confident60 Ų6043.3 Ų43.362%0.61923%0.234SC*.THydrogen-bonded Turntrans125.18.4178.800000114.8A203 H204 E209A203-G207 PolarHBondContact O-N 3.46Å; H204-G207 PolarHBondContact O-N 2.82Å; G207-E209 PolarHBondContact O-N 2.88Å
208D72.6Confident75.5Confident66 Ų6645.3 Ų45.335%0.35324%0.243SC..  trans-83.896.6175.9-165.6-7.6000110.8A203 H204 T210 A211A203-D208 HydrophobicContact CB-CB 4.23Å; A203-D208 WeakPolarHBondContact O-CB 3.43Å; A203-D208 PolarHBondContact O-N 2.96Å; H204-D208 WeakPolarHBondContact CA-O 3.31Å; D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 3.43Å; D208-T210 WeakPolarHBondContact OD1-CB 3.44Å; D208-T210 PolarHBondContact OD1-N 2.87Å; D208-T210 PolarHBondContact OD1-OG1 3.21Å; D208-T210 PolarHBondContact OD2-OG1 3Å; D208-A211 HydrophobicContact CB-CB 4.43Å; D208-A211 WeakPolarHBondContact O-CB 3.45Å; D208-A211 PolarHBondContact O-N 3.41Å
209E66.8Low74.5Confident162 Ų16247.8 Ų47.876%0.75725%0.252SS*.Hα-helixtrans-61.6-28.6179.5-66-178.6175.100112.7G207 A211 A212G207-E209 PolarHBondContact O-N 2.88Å; E209-A211 PolarHBondContact O-N 3.35Å; E209-A212 PolarHBondContact O-N 3.23Å; E209-A212 VanDerWaalsContact O-N 3.17Å
210T71.5Confident73.3Confident87 Ų8749.1 Ų49.153%0.53426%0.259SS..Hα-helixtrans-61-32.1178.769.80000111.5D208 A212 T213 D214D208-T210 VanDerWaalsContact CG-OG1 3.3Å; D208-T210 PolarHBondContact O-N 3.43Å; D208-T210 WeakPolarHBondContact OD1-CB 3.44Å; D208-T210 PolarHBondContact OD1-N 2.87Å; D208-T210 PolarHBondContact OD1-OG1 3.21Å; D208-T210 PolarHBondContact OD2-OG1 3Å; T210-A212 PolarHBondContact O-N 3.09Å; T210-T213 PolarHBondContact O-N 3.4Å; T210-D214 PolarHBondContact O-N 2.9Å
211A65.1Low72.2Confident3 Ų352.6 Ų52.63%0.02528%0.278CS..Hα-helixtrans-70-28.8-179.200000113.3R200 A203 H204 D208 E209 D214 L215R200-A211 HydrophobicContact CB-CB 4.32Å; R200-A211 WeakPolarHBondContact O-CB 3.3Å; A203-A211 HydrophobicContact CB-CB 3.87Å; H204-A211 HydrophobicContact CB-CB 4.07Å; D208-A211 HydrophobicContact CB-CB 4.43Å; D208-A211 WeakPolarHBondContact O-CB 3.45Å; D208-A211 PolarHBondContact O-N 3.41Å; E209-A211 PolarHBondContact O-N 3.35Å; A211-D214 PolarHBondContact O-N 3.12Å; A211-L215 WeakPolarHBondContact O-CG 3.45Å; A211-L215 PolarHBondContact O-N 3.26Å
212A61.9Low70.9Confident13 Ų1354 Ų5411%0.10729%0.29CS..Hα-helixtrans-66.8-45.7172.800000111.5H204 E209 T210 D214 L215 Q216H204-A212 VanDerWaalsContact CD2-CB 3.45Å; H204-A212 WeakPolarHBondContact CD2-CB 3.22Å; E209-A212 PolarHBondContact O-N 3.23Å; E209-A212 VanDerWaalsContact O-N 3.17Å; T210-A212 PolarHBondContact O-N 3.09Å; A212-D214 PolarHBondContact O-N 2.98Å; A212-L215 PolarHBondContact O-N 3.26Å; A212-Q216 WeakPolarHBondContact O-CG 3.4Å; A212-Q216 PolarHBondContact O-N 3.03Å
213T67Low68.9Low61 Ų6158.5 Ų58.537%0.37432%0.319SS..Hα-helixtrans-60.4-39.2176.7-56.70000110.6T210 Q216 R217T210-T213 PolarHBondContact O-N 3.4Å; T213-Q216 PolarHBondContact O-N 2.68Å; T213-R217 WeakPolarHBondContact O-CB 3.41Å; T213-R217 PolarHBondContact O-N 2.88Å
214D71.5Confident67.2Low37 Ų3766.7 Ų66.720%0.19836%0.362CS..Hα-helixtrans-70.9-36.8177.9-75.6-16.5000113.3R200 T210 A211 A212 Q216 R217 M218R200-D214 IonicContact CZ-OD2 2.77Å; R200-D214 VanDerWaalsContact NH1-CG 3.3Å; R200-D214 IonicContact NH1-OD2 3.42Å; R200-D214 PolarHBondContact NH1-OD2 2.85Å; R200-D214 IonicContact NH2-OD2 3.26Å; T210-D214 PolarHBondContact O-N 2.9Å; A211-D214 PolarHBondContact O-N 3.12Å; A212-D214 PolarHBondContact O-N 2.98Å; D214-Q216 VanDerWaalsContact C-N 3.33Å; D214-R217 PolarHBondContact O-N 2.99Å; D214-M218 WeakPolarHBondContact O-CB 3.35Å; D214-M218 VanDerWaalsContact O-CG 3.27Å; D214-M218 WeakPolarHBondContact O-CG 3.25Å; D214-M218 PolarHBondContact O-N 2.97Å
215L70.3Confident65.4Low1 Ų168 Ų681%0.00538%0.383CS..Hα-helixtrans-62.1-41.6171.8-74.9173.2000111.7P197 R200 Y201 A211 A212 M218 R219 L234 L238P197-L215 HydrophobicContact CB-CD2 4.13Å; P197-L215 WeakPolarHBondContact O-CD2 3.44Å; R200-L215 HydrophobicContact CB-CD1 4.38Å; R200-L215 HydrophobicContact CB-CD2 3.71Å; R200-L215 HydrophobicContact CB-CG 3.82Å; Y201-L215 HydrophobicContact CD2-CD1 4.44Å; A211-L215 WeakPolarHBondContact O-CG 3.45Å; A211-L215 PolarHBondContact O-N 3.26Å; A212-L215 PolarHBondContact O-N 3.26Å; L215-M218 PolarHBondContact O-N 2.93Å; L215-R219 PolarHBondContact O-N 3.34Å; L215-R219 VanDerWaalsContact O-N 3.1Å; L215-L234 HydrophobicContact CB-CD1 4.26Å; L215-L234 HydrophobicContact CD2-CD1 3.67Å; L215-L238 HydrophobicContact CB-CD2 4.35Å
216Q65.9Low63.9Low25 Ų2568 Ų6812%0.11738%0.38CS..Hα-helixtrans-65.4-43175.6-71.6174.7-52.700111.2A212 T213 D214 M218 R219 N220 L238 E275 E279A212-Q216 WeakPolarHBondContact O-CG 3.4Å; A212-Q216 PolarHBondContact O-N 3.03Å; T213-Q216 PolarHBondContact O-N 2.68Å; D214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-M218 PolarHBondContact O-N 2.89Å; Q216-R219 WeakPolarHBondContact O-CB 3.33Å; Q216-R219 PolarHBondContact O-N 3.21Å; Q216-R219 VanDerWaalsContact O-N 3.16Å; Q216-N220 PolarHBondContact O-N 3.1Å; Q216-L238 HydrophobicContact CG-CD2 3.52Å; Q216-E275 PolarHBondContact NE2-OE2 2.87Å; Q216-E279 PolarHBondContact NE2-OE1 3.42Å; Q216-E279 PolarHBondContact OE1-OE1 3.49Å
217R68.6Low62.6Low132 Ų13265.2 Ų65.250%0.49837%0.368SS..Hα-helixtrans-60.5-44.4174.2-172.4-175.5-63.3175.92.9111.9T213 D214 R219 N220 Q221T213-R217 WeakPolarHBondContact O-CB 3.41Å; T213-R217 PolarHBondContact O-N 2.88Å; D214-R217 PolarHBondContact O-N 2.99Å; R217-R219 PolarHBondContact O-N 3.26Å; R217-N220 PolarHBondContact O-N 3.44Å; R217-Q221 HydrophobicContact CG-CG 4.05Å; R217-Q221 VanDerWaalsContact O-CB 3.3Å; R217-Q221 WeakPolarHBondContact O-CB 3.16Å; R217-Q221 WeakPolarHBondContact O-CG 3.41Å; R217-Q221 PolarHBondContact O-N 3.25Å
218M67.2Low61.7Low49 Ų4966.7 Ų66.724%0.24136%0.361CS..Hα-helixtrans-60-33.3176.6-77.1179.5176.500112.6L196 D214 L215 Q216 A222 L234L196-M218 HydrophobicContact CD2-CE 3.28Å; L196-M218 HydrophobicContact CD2-SD 4.13Å; L196-M218 HydrophobicContact CG-CE 3.68Å; L196-M218 HydrophobicContact CG-SD 4.12Å; D214-M218 WeakPolarHBondContact O-CB 3.35Å; D214-M218 VanDerWaalsContact O-CG 3.27Å; D214-M218 WeakPolarHBondContact O-CG 3.25Å; D214-M218 PolarHBondContact O-N 2.97Å; L215-M218 PolarHBondContact O-N 2.93Å; Q216-M218 PolarHBondContact O-N 2.89Å; M218-A222 WeakPolarHBondContact O-CA 3.37Å; M218-A222 PolarHBondContact O-N 2.61Å; M218-L234 HydrophobicContact CB-CD2 4.29Å
219R66.5Low60.7Low71 Ų7164.7 Ų64.727%0.26835%0.35SS..Hα-helixtrans-71-46.6174.1-17956.9179.8-148.6-9.4111.9L215 Q216 R217 A222 E231 L234 D235 L238L215-R219 PolarHBondContact O-N 3.34Å; L215-R219 VanDerWaalsContact O-N 3.1Å; Q216-R219 WeakPolarHBondContact O-CB 3.33Å; Q216-R219 PolarHBondContact O-N 3.21Å; Q216-R219 VanDerWaalsContact O-N 3.16Å; R217-R219 PolarHBondContact O-N 3.26Å; R219-A222 WeakPolarHBondContact O-CB 3.33Å; R219-A222 PolarHBondContact O-N 3.3Å; R219-E231 PolarHBondContact NH1-O 3.29Å; R219-E231 VanDerWaalsContact NH1-O 3.13Å; R219-L234 HydrophobicContact CB-CD2 3.84Å; R219-L234 HydrophobicContact CB-CG 4.4Å; R219-D235 IonicContact CZ-OD1 3.71Å; R219-D235 IonicContact CZ-OD2 2.97Å; R219-D235 IonicContact NE-OD1 3.56Å; R219-D235 PolarHBondContact NE-OD1 2.99Å; R219-D235 IonicContact NH1-OD1 3.63Å; R219-D235 PolarHBondContact NH1-OD1 3.09Å; R219-D235 IonicContact NH1-OD2 2.66Å; R219-D235 PolarHBondContact NH1-OD2 3.32Å; R219-D235 IonicContact NH2-OD1 2.67Å; R219-D235 PolarHBondContact NH2-OD1 3.44Å; R219-D235 IonicContact NH2-OD2 3.85Å; R219-D235 PolarHBondContact NH2-OD2 2.83Å; R219-L238 HydrophobicContact CB-CD1 4.01Å; R219-L238 HydrophobicContact CG-CD1 4.34Å
220N63.2Low60.5Low40 Ų4057.2 Ų57.221%0.21432%0.315CS..Hα-helixtrans-71.9-31-175.9-66.6-13.9000112.8Q216 R217 I292Q216-N220 PolarHBondContact O-N 3.1Å; R217-N220 PolarHBondContact O-N 3.44Å; N220-I292 WeakPolarHBondContact ND2-CG1 3.24Å
221Q63.1Low60.2Low135 Ų13555.8 Ų55.863%0.63130%0.303SS*.THydrogen-bonded Turntrans-92.9-2.6178.9-68.6-176.3-20.100113.6R217 P223R217-Q221 HydrophobicContact CG-CG 4.05Å; R217-Q221 VanDerWaalsContact O-CB 3.3Å; R217-Q221 WeakPolarHBondContact O-CB 3.16Å; R217-Q221 WeakPolarHBondContact O-CG 3.41Å; R217-Q221 PolarHBondContact O-N 3.25Å; Q221-P223 WeakPolarHBondContact O-CD 3.35Å
222A53.6Low60.3Low33 Ų3359.5 Ų59.527%0.27332%0.322SS..  trans-40.7101-170.900000110.2M218 R219M218-A222 WeakPolarHBondContact O-CA 3.37Å; M218-A222 PolarHBondContact O-N 2.61Å; R219-A222 WeakPolarHBondContact O-CB 3.33Å; R219-A222 PolarHBondContact O-N 3.3Å
223P45.3Very low60.7Low94 Ų9461.3 Ų61.361%0.6133%0.328SS*.  trans-69.9158175.927.9-29.3000106.9Q221 G225 L226Q221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-G225 PolarHBondContact O-N 3Å; P223-L226 PolarHBondContact O-N 3.35Å; P223-L226 VanDerWaalsContact O-N 3.15Å
224D48.8Very low60.9Low181 Ų18158.4 Ų58.497%0.96831%0.31SS*.THydrogen-bonded Turntrans-52.23.3176.5-67.6-35.3000115.3
225G44.1Very low60.9Low53 Ų5358.7 Ų58.755%0.54631%0.312SS..THydrogen-bonded Turntrans-98.7-10.3177.900000116.5P223 T227P223-G225 PolarHBondContact O-N 3Å; G225-T227 PolarHBondContact O-N 3.06Å
226L50.1Low61.1Low29 Ų2963.8 Ų63.815%0.15234%0.336CS..SBendtrans-73.4127.1173.9-165.860.7000109.1P223 L228 E231 L234P223-L226 PolarHBondContact O-N 3.35Å; P223-L226 VanDerWaalsContact O-N 3.15Å; L226-L228 PolarHBondContact O-N 2.85Å; L226-E231 HydrophobicContact CB-CG 4.21Å; L226-E231 HydrophobicContact CD2-CG 3.72Å; L226-E231 HydrophobicContact CG-CG 4.02Å; L226-L234 HydrophobicContact CD2-CD2 4.29Å
227T55.5Low61.5Low38 Ų3863.1 Ų63.123%0.23333%0.333CS..  trans-61138.1177-46.60000108.8G225 L229 S230 E231G225-T227 PolarHBondContact O-N 3.06Å; T227-L229 HydrophobicContact CG2-CB 4.27Å; T227-L229 HydrophobicContact CG2-CD1 4.08Å; T227-L229 HydrophobicContact CG2-CG 4.38Å; T227-L229 CarbonylContact O-C 3.58Å; T227-L229 PolarHBondContact O-N 3.22Å; T227-S230 WeakPolarHBondContact O-CA 3.49Å; T227-S230 WeakPolarHBondContact O-CB 3.45Å; T227-S230 PolarHBondContact O-N 3.34Å; T227-E231 PolarHBondContact O-N 3.38Å; T227-E231 VanDerWaalsContact O-N 3.12Å
228L56.7Low61.8Low90 Ų9057.4 Ų57.447%0.47131%0.312SS..Hα-helixtrans-44.9-33.2175.6-179.768.5000113.4L226 L232L226-L228 PolarHBondContact O-N 2.85Å; L228-L232 HydrophobicContact CG-CD1 4.38Å; L228-L232 VanDerWaalsContact O-CG 3.27Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.03Å
229L53.4Low62Low25 Ų2556.6 Ų56.613%0.13132%0.316CS..Hα-helixtrans-63.8-44.7173.7-69.4161.5000113.3L29 T227 E231 L232 Q233L29-L229 HydrophobicContact CB-CD1 4.46Å; L29-L229 HydrophobicContact CD1-CD1 4.45Å; L29-L229 HydrophobicContact CD1-CD2 4.48Å; L29-L229 HydrophobicContact CD2-CD1 3.86Å; L29-L229 HydrophobicContact CG-CD1 3.57Å; L29-L229 HydrophobicContact CG-CD2 4.38Å; L29-L229 VanDerWaalsContact O-CD1 3.26Å; L29-L229 WeakPolarHBondContact O-CD1 3.42Å; L29-L229 VanDerWaalsContact O-CD2 3.31Å; L29-L229 WeakPolarHBondContact O-CD2 3.32Å; L29-L229 WeakPolarHBondContact O-CG 3.39Å; T227-L229 HydrophobicContact CG2-CB 4.27Å; T227-L229 HydrophobicContact CG2-CD1 4.08Å; T227-L229 HydrophobicContact CG2-CG 4.38Å; T227-L229 CarbonylContact O-C 3.58Å; T227-L229 PolarHBondContact O-N 3.22Å; L229-E231 VanDerWaalsContact C-N 3.31Å; L229-L232 PolarHBondContact O-N 2.79Å; L229-Q233 WeakPolarHBondContact O-CB 3.41Å; L229-Q233 VanDerWaalsContact O-CG 3.24Å; L229-Q233 WeakPolarHBondContact O-CG 3.49Å; L229-Q233 PolarHBondContact O-N 2.87Å
230S61.7Low62.5Low4 Ų457.4 Ų57.43%0.02832%0.323CS..Hα-helixtrans-71.1-32.5-177.7-520000109.9D194 T227 L234D194-S230 PolarHBondContact OD1-OG 3.21Å; T227-S230 WeakPolarHBondContact O-CA 3.49Å; T227-S230 WeakPolarHBondContact O-CB 3.45Å; T227-S230 PolarHBondContact O-N 3.34Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 3.43Å
231E64.3Low62.9Low57 Ų5755.8 Ų55.827%0.26632%0.315SS..Hα-helixtrans-63.7-47166.9-71.8179.5173.100112.7R219 L226 T227 L229 Q233 L234 D235R219-E231 PolarHBondContact NH1-O 3.29Å; R219-E231 VanDerWaalsContact NH1-O 3.13Å; L226-E231 HydrophobicContact CB-CG 4.21Å; L226-E231 HydrophobicContact CD2-CG 3.72Å; L226-E231 HydrophobicContact CG-CG 4.02Å; T227-E231 PolarHBondContact O-N 3.38Å; T227-E231 VanDerWaalsContact O-N 3.12Å; L229-E231 VanDerWaalsContact C-N 3.31Å; E231-Q233 VanDerWaalsContact C-N 3.33Å; E231-Q233 PolarHBondContact O-N 3.44Å; E231-L234 PolarHBondContact O-N 3.37Å; E231-D235 PolarHBondContact O-N 3.22Å
232L67.5Low63.5Low82 Ų8250.5 Ų50.543%0.42929%0.29SS..Hα-helixtrans-64.7-38.2177-73.5169.9000112L228 L229 Q236L228-L232 HydrophobicContact CG-CD1 4.38Å; L228-L232 VanDerWaalsContact O-CG 3.27Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.03Å; L229-L232 PolarHBondContact O-N 2.79Å; L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.4Å; L232-Q236 PolarHBondContact O-N 3.31Å
233Q69.6Low64.5Low50 Ų5051 Ų5123%0.23429%0.291CS..Hα-helixtrans-66.8-45.7174.4-76.1177.6-17.400110.5L229 E231 D235 Q236 L237L229-Q233 WeakPolarHBondContact O-CB 3.41Å; L229-Q233 VanDerWaalsContact O-CG 3.24Å; L229-Q233 WeakPolarHBondContact O-CG 3.49Å; L229-Q233 PolarHBondContact O-N 2.87Å; E231-Q233 VanDerWaalsContact C-N 3.33Å; E231-Q233 PolarHBondContact O-N 3.44Å; Q233-D235 VanDerWaalsContact C-N 3.29Å; Q233-D235 PolarHBondContact O-N 3.26Å; Q233-Q236 PolarHBondContact O-N 2.88Å; Q233-Q236 VanDerWaalsContact O-N 3.13Å; Q233-L237 WeakPolarHBondContact O-CB 3.36Å; Q233-L237 VanDerWaalsContact O-CG 3.25Å; Q233-L237 WeakPolarHBondContact O-CG 3.3Å; Q233-L237 PolarHBondContact O-N 3.09Å
234L72.3Confident65.8Low0 Ų051.5 Ų51.50%028%0.284CS..Hα-helixtrans-56.7-44.2175.5179.358.8000111P197 L215 M218 R219 L226 S230 E231 L237 L238P197-L234 HydrophobicContact CB-CD1 4.14Å; L215-L234 HydrophobicContact CB-CD1 4.26Å; L215-L234 HydrophobicContact CD2-CD1 3.67Å; M218-L234 HydrophobicContact CB-CD2 4.29Å; R219-L234 HydrophobicContact CB-CD2 3.84Å; R219-L234 HydrophobicContact CB-CG 4.4Å; L226-L234 HydrophobicContact CD2-CD2 4.29Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 3.43Å; E231-L234 PolarHBondContact O-N 3.37Å; L234-L237 PolarHBondContact O-N 2.94Å; L234-L238 HydrophobicContact CD1-CD1 3.85Å; L234-L238 HydrophobicContact CD1-CG 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.82Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 WeakPolarHBondContact O-CD1 3.31Å; L234-L238 PolarHBondContact O-N 2.93Å
235D71.1Confident67Low44 Ų4445.6 Ų45.624%0.23525%0.25CS..Hα-helixtrans-60.7-44.2174.1-80.1-24.3000113R219 E231 Q233 L237 G239R219-D235 IonicContact CZ-OD1 3.71Å; R219-D235 IonicContact CZ-OD2 2.97Å; R219-D235 IonicContact NE-OD1 3.56Å; R219-D235 PolarHBondContact NE-OD1 2.99Å; R219-D235 IonicContact NH1-OD1 3.63Å; R219-D235 PolarHBondContact NH1-OD1 3.09Å; R219-D235 IonicContact NH1-OD2 2.66Å; R219-D235 PolarHBondContact NH1-OD2 3.32Å; R219-D235 IonicContact NH2-OD1 2.67Å; R219-D235 PolarHBondContact NH2-OD1 3.44Å; R219-D235 IonicContact NH2-OD2 3.85Å; R219-D235 PolarHBondContact NH2-OD2 2.83Å; E231-D235 PolarHBondContact O-N 3.22Å; Q233-D235 VanDerWaalsContact C-N 3.29Å; Q233-D235 PolarHBondContact O-N 3.26Å; D235-L237 VanDerWaalsContact C-N 3.34Å; D235-G239 PolarHBondContact O-N 3.38Å
236Q75.3Confident68.2Low108 Ų10843.1 Ų43.151%0.50522%0.224SC..Hα-helixtrans-64.1-40.9177.4-74.8175.63.300111.7L232 Q233 G239 Q240L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.4Å; L232-Q236 PolarHBondContact O-N 3.31Å; Q233-Q236 PolarHBondContact O-N 2.88Å; Q233-Q236 VanDerWaalsContact O-N 3.13Å; Q236-G239 PolarHBondContact O-N 2.85Å; Q236-Q240 WeakPolarHBondContact O-CG 3.36Å; Q236-Q240 PolarHBondContact O-N 2.95Å
237L73.9Confident69.1Low11 Ų1145.2 Ų45.26%0.05824%0.242CC..Hα-helixtrans-69.5-43.8178.8-66.8-176.1000111.6F154 P197 Q198 Y201 Q233 L234 D235 G239 Q240 A241F154-L237 HydrophobicContact CE1-CD2 3.92Å; F154-L237 HydrophobicContact CZ-CD1 4.17Å; F154-L237 HydrophobicContact CZ-CD2 3.49Å; F154-L237 VanDerWaalsContact CZ-CD2 3.49Å; F154-L237 HydrophobicContact CZ-CG 4.47Å; P197-L237 HydrophobicContact CB-CD1 4.49Å; Q198-L237 HydrophobicContact CG-CD1 4.27Å; Y201-L237 HydrophobicContact CD1-CD2 4.05Å; Y201-L237 HydrophobicContact CD2-CB 3.68Å; Y201-L237 HydrophobicContact CD2-CD2 4.09Å; Y201-L237 HydrophobicContact CD2-CG 4.31Å; Y201-L237 HydrophobicContact CE1-CD2 4.29Å; Y201-L237 HydrophobicContact CE2-CB 4.22Å; Y201-L237 HydrophobicContact CE2-CD2 4.31Å; Y201-L237 WeakPolarHBondContact CE2-O 3.45Å; Y201-L237 HydrophobicContact CG-CB 4.11Å; Y201-L237 HydrophobicContact CG-CD1 4.2Å; Y201-L237 HydrophobicContact CG-CD2 3.95Å; Y201-L237 HydrophobicContact CG-CG 4.29Å; Q233-L237 WeakPolarHBondContact O-CB 3.36Å; Q233-L237 VanDerWaalsContact O-CG 3.25Å; Q233-L237 WeakPolarHBondContact O-CG 3.3Å; Q233-L237 PolarHBondContact O-N 3.09Å; L234-L237 PolarHBondContact O-N 2.94Å; D235-L237 VanDerWaalsContact C-N 3.34Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.47Å; L237-Q240 PolarHBondContact O-N 3.5Å; L237-A241 WeakPolarHBondContact O-CB 3.08Å; L237-A241 PolarHBondContact O-N 3.17Å
238L75Confident69.9Low11 Ų1151.2 Ų51.26%0.05827%0.267CS..Hα-helixtrans-58.5-44.7171.9-85.7153.9000111.3L215 Q216 R219 L234 Q240 A241 R242L215-L238 HydrophobicContact CB-CD2 4.35Å; Q216-L238 HydrophobicContact CG-CD2 3.52Å; R219-L238 HydrophobicContact CB-CD1 4.01Å; R219-L238 HydrophobicContact CG-CD1 4.34Å; L234-L238 HydrophobicContact CD1-CD1 3.85Å; L234-L238 HydrophobicContact CD1-CG 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.82Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 WeakPolarHBondContact O-CD1 3.31Å; L234-L238 PolarHBondContact O-N 2.93Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.79Å; L238-A241 PolarHBondContact O-N 3.44Å; L238-R242 WeakPolarHBondContact O-CB 3.5Å; L238-R242 VanDerWaalsContact O-CG 3.26Å; L238-R242 WeakPolarHBondContact O-CG 3.34Å; L238-R242 PolarHBondContact O-N 2.9Å
239G71.8Confident70.4Confident32 Ų3247.9 Ų47.933%0.3325%0.25SS..Hα-helixtrans-59.9-40.8175.300000113D235 Q236 L237 S243D235-G239 PolarHBondContact O-N 3.38Å; Q236-G239 PolarHBondContact O-N 2.85Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.47Å; G239-S243 WeakPolarHBondContact O-CB 3.49Å; G239-S243 PolarHBondContact O-N 3.47Å
240Q75.8Confident71Confident88 Ų8850.2 Ų50.241%0.41127%0.269SS..Hα-helixtrans-70.1-38.2176.2-72177.9600113.1Y201 Q236 L237 L238 K244Y201-Q240 HydrophobicContact CE2-CB 4.08Å; Y201-Q240 WeakPolarHBondContact OH-CB 3.42Å; Y201-Q240 PolarHBondContact OH-OE1 3.43Å; Q236-Q240 WeakPolarHBondContact O-CG 3.36Å; Q236-Q240 PolarHBondContact O-N 2.95Å; L237-Q240 PolarHBondContact O-N 3.5Å; L238-Q240 VanDerWaalsContact C-N 3.33Å; L238-Q240 PolarHBondContact O-N 2.79Å; Q240-K244 PolarHBondContact O-N 3.16Å
241A72.8Confident71.7Confident6 Ų655.9 Ų55.95%0.0530%0.295CS..Hα-helixtrans-63.1-47.217500000110.4Y201 L237 L238 K244 Q245Y201-A241 HydrophobicContact CD2-CB 4.45Å; Y201-A241 HydrophobicContact CE2-CB 4.03Å; L237-A241 WeakPolarHBondContact O-CB 3.08Å; L237-A241 PolarHBondContact O-N 3.17Å; L238-A241 PolarHBondContact O-N 3.44Å; A241-K244 WeakPolarHBondContact O-CB 2.95Å; A241-K244 PolarHBondContact O-N 3.02Å; A241-Q245 PolarHBondContact O-N 3.38Å
242R75.6Confident72.5Confident25 Ų2553.7 Ų53.79%0.09429%0.285CS..Hα-helixtrans-64.8-39.4179-73.2169.3173.5178-0.6112.9L238 K244 Q245 A246 I268 T272L238-R242 WeakPolarHBondContact O-CB 3.5Å; L238-R242 VanDerWaalsContact O-CG 3.26Å; L238-R242 WeakPolarHBondContact O-CG 3.34Å; L238-R242 PolarHBondContact O-N 2.9Å; R242-K244 VanDerWaalsContact C-N 3.26Å; R242-K244 PolarHBondContact O-N 3.18Å; R242-Q245 PolarHBondContact O-N 3.17Å; R242-Q245 VanDerWaalsContact O-N 3.17Å; R242-A246 WeakPolarHBondContact O-CB 3.33Å; R242-A246 PolarHBondContact O-N 3.42Å; R242-I268 HydrophobicContact CB-CG2 4.21Å; R242-T272 HydrophobicContact CG-CG2 4.35Å
243S74.7Confident72.9Confident43 Ų4355.8 Ų55.830%0.30130%0.297SS..Hα-helixtrans-60.2-35.3175.9179.30000112.6G239 S247 E264G239-S243 WeakPolarHBondContact O-CB 3.49Å; G239-S243 PolarHBondContact O-N 3.47Å; S243-S247 PolarHBondContact O-N 3.22Å; S243-S247 PolarHBondContact O-OG 3.41Å; S243-S247 VanDerWaalsContact O-OG 3.12Å; S243-E264 WeakPolarHBondContact CA-OE1 3.35Å; S243-E264 WeakPolarHBondContact CB-OE1 3.14Å; S243-E264 PolarHBondContact OG-OE1 2.91Å
244K72.7Confident73.4Confident105 Ų10554 Ų5446%0.45729%0.288SS..Hα-helixtrans-67.1-41.3174.7-68.3179.3-178.6175.40112.3S205 Q240 A241 R242S205-K244 PolarHBondContact OG-NZ 3.4Å; Q240-K244 PolarHBondContact O-N 3.16Å; A241-K244 WeakPolarHBondContact O-CB 2.95Å; A241-K244 PolarHBondContact O-N 3.02Å; R242-K244 VanDerWaalsContact C-N 3.26Å; R242-K244 PolarHBondContact O-N 3.18Å
245Q72.5Confident73.4Confident57 Ų5755.3 Ų55.327%0.26630%0.295SS..Hα-helixtrans-73.1-42.1177.6-68.8167.9-49.100111.7A241 R242 S247 Q248 L271A241-Q245 PolarHBondContact O-N 3.38Å; R242-Q245 PolarHBondContact O-N 3.17Å; R242-Q245 VanDerWaalsContact O-N 3.17Å; Q245-S247 PolarHBondContact O-N 3.16Å; Q245-S247 VanDerWaalsContact O-N 3.13Å; Q245-Q248 VanDerWaalsContact O-CB 3.31Å; Q245-Q248 WeakPolarHBondContact O-CB 3.27Å; Q245-Q248 WeakPolarHBondContact O-CG 3.23Å; Q245-Q248 PolarHBondContact O-N 2.98Å; Q245-L271 HydrophobicContact CB-CD2 3.52Å
246A69.6Low73.5Confident0 Ų057 Ų570%032%0.323CS..Hα-helixtrans-59.9-26.3-179.300000112.6R242 Q248 V249 K267 I268 L271R242-A246 WeakPolarHBondContact O-CB 3.33Å; R242-A246 PolarHBondContact O-N 3.42Å; A246-Q248 PolarHBondContact O-N 2.92Å; A246-Q248 VanDerWaalsContact O-N 3.09Å; A246-V249 PolarHBondContact O-N 2.85Å; A246-K267 HydrophobicContact CB-CB 3.94Å; A246-K267 WeakPolarHBondContact O-CD 3.49Å; A246-I268 HydrophobicContact CB-CB 4.37Å; A246-I268 HydrophobicContact CB-CG1 3.6Å; A246-L271 HydrophobicContact CB-CD2 4.24Å
247S69.9Low73.6Confident74 Ų7455.1 Ų55.152%0.51732%0.315SS..THydrogen-bonded Turntrans-55.2-25.6172.5-67.60000113.3S243 Q245S243-S247 PolarHBondContact O-N 3.22Å; S243-S247 PolarHBondContact O-OG 3.41Å; S243-S247 VanDerWaalsContact O-OG 3.12Å; Q245-S247 PolarHBondContact O-N 3.16Å; Q245-S247 VanDerWaalsContact O-N 3.13Å
248Q70.7Confident73.9Confident164 Ų16457.1 Ų57.177%0.76633%0.33SS*.THydrogen-bonded Turntrans-79-24.4177.5-58.2178.5200113.2Q245 A246 S250Q245-Q248 VanDerWaalsContact O-CB 3.31Å; Q245-Q248 WeakPolarHBondContact O-CB 3.27Å; Q245-Q248 WeakPolarHBondContact O-CG 3.23Å; Q245-Q248 PolarHBondContact O-N 2.98Å; A246-Q248 PolarHBondContact O-N 2.92Å; A246-Q248 VanDerWaalsContact O-N 3.09Å; Q248-S250 PolarHBondContact O-N 3.42Å
249V68.7Low74.2Confident20 Ų2056.7 Ų56.712%0.12133%0.328CS..  trans-75.7120.7177.3-176.60000108.8A246 K267 I270 L271A246-V249 PolarHBondContact O-N 2.85Å; V249-K267 WeakPolarHBondContact O-CD 3.33Å; V249-K267 WeakPolarHBondContact O-CE 3.33Å; V249-K267 PolarHBondContact O-NZ 3.39Å; V249-I270 HydrophobicContact CG1-CG2 4.37Å; V249-L271 HydrophobicContact CG2-CB 4.15Å; V249-L271 HydrophobicContact CG2-CD1 4.03Å
250S65.2Low74.5Confident74 Ų7457.3 Ų57.352%0.51733%0.326SS..  trans-120.4-36-177.349.10000113.1Q248 V261Q248-S250 PolarHBondContact O-N 3.42Å; S250-V261 PolarHBondContact O-N 3.3Å
251E76.4Confident74.7Confident123 Ų12353.3 Ų53.358%0.57531%0.308SS*.EExtended strand (participates in β ladder)trans-138.5148.7-174.4-64.6-178.7167.500110.3I259E251-I259 WeakPolarHBondContact CA-O 3.24Å
252V81.1Confident74.9Confident10 Ų1060.5 Ų60.56%0.06134%0.338CS..EExtended strand (participates in β ladder)trans-129.6129.4174.3175.70000109.6I259 V261 I270 Y354V252-I259 PolarHBondContact N-O 2.9Å; V252-I259 PolarHBondContact O-N 3.46Å; V252-V261 HydrophobicContact CG2-CG2 4.04Å; V252-I270 HydrophobicContact CG2-CD1 3.74Å; V252-I270 HydrophobicContact CG2-CG1 4.34Å; V252-I270 HydrophobicContact CG2-CG2 3.58Å; V252-Y354 HydrophobicContact CG1-CE1 3.83Å; V252-Y354 HydrophobicContact CG1-CE2 4.3Å; V252-Y354 WeakPolarHBondContact CG1-OH 3.5Å
253D76.8Confident75.2Confident126 Ų12659.6 Ų59.667%0.67434%0.336SS*.EExtended strand (participates in β ladder)trans-89.5116.1174.8-61.7-28000110.3I257 S258D253-I257 WeakPolarHBondContact CA-O 3.21Å; D253-S258 WeakPolarHBondContact OD1-CA 3.41Å; D253-S258 WeakPolarHBondContact OD1-CB 3.32Å; D253-S258 PolarHBondContact OD1-OG 3.16Å
254W79.6Confident75.5Confident12 Ų1260.7 Ų60.75%0.04534%0.336CS..EExtended strand (participates in β ladder)trans-125.7117.6175.1-176.252.9000109.9G256 I257 I259 L350 T353 Y354 Y357 L419W254-G256 PolarHBondContact O-N 2.66Å; W254-I257 PolarHBondContact N-O 2.88Å; W254-I257 WeakPolarHBondContact O-CB 3.49Å; W254-I257 PolarHBondContact O-N 2.87Å; W254-I259 HydrophobicContact CB-CD1 4.13Å; W254-I259 HydrophobicContact CE3-CD1 4.23Å; W254-L350 HydrophobicContact CE3-CD1 4.23Å; W254-L350 HydrophobicContact CZ3-CD1 3.98Å; W254-T353 HydrophobicContact CH2-CG2 3.95Å; W254-T353 HydrophobicContact CZ3-CG2 4.28Å; W254-Y354 HydrophobicContact CB-CD2 3.75Å; W254-Y354 HydrophobicContact CB-CE2 3.97Å; W254-Y354 AromaticContact CD1-CD2 3.6Å; W254-Y354 AromaticContact CD1-CE2 3.69Å; W254-Y354 AromaticContact CD2-CD2 3.6Å; W254-Y354 HydrophobicContact CD2-CD2 3.6Å; W254-Y354 HydrophobicContact CD2-CE2 4.44Å; W254-Y354 HydrophobicContact CD2-CG 4.39Å; W254-Y354 AromaticContact CE2-CD2 3.95Å; W254-Y354 HydrophobicContact CE3-CD2 4.21Å; W254-Y354 AromaticContact CG-CD2 3.37Å; W254-Y354 HydrophobicContact CG-CD2 3.37Å; W254-Y354 AromaticContact CG-CE2 3.78Å; W254-Y354 HydrophobicContact CG-CE2 3.78Å; W254-Y354 HydrophobicContact CG-CG 4.38Å; W254-Y354 AromaticContact NE1-CD2 3.93Å; W254-Y357 HydrophobicContact CZ2-CD1 4.34Å; W254-Y357 HydrophobicContact CZ2-CD2 4.34Å; W254-Y357 AromaticContact CZ2-CG 3.96Å; W254-Y357 HydrophobicContact CZ2-CG 3.96Å; W254-Y357 AromaticContact NE1-CD1 3.75Å; W254-Y357 AromaticContact NE1-CE1 4Å; W254-L419 HydrophobicContact CZ2-CD1 4.01Å
255L72.9Confident76.1Confident29 Ų2960.4 Ų60.415%0.15234%0.335CS..THydrogen-bonded Turntrans53.838.1-178.8-63160.6000113.2I257 L419 L426 I490L255-I257 PolarHBondContact O-N 3.02Å; L255-L419 HydrophobicContact CD1-CD1 3.48Å; L255-L419 VanDerWaalsContact CD1-CD1 3.48Å; L255-L426 HydrophobicContact CD2-CD2 3.85Å; L255-I490 HydrophobicContact CD2-CD1 3.44Å; L255-I490 VanDerWaalsContact CD2-CD1 3.44Å; L255-I490 HydrophobicContact CD2-CG2 4.42Å; L255-I490 HydrophobicContact CG-CD1 4.09Å
256G72.6Confident76.7Confident80 Ų8057.7 Ų57.783%0.82532%0.322SS*.THydrogen-bonded Turntrans78.9-0.2-177.100000114.9W254W254-G256 PolarHBondContact O-N 2.66Å
257I78.3Confident77.5Confident67 Ų6759.1 Ų59.134%0.34433%0.328SS..EExtended strand (participates in β ladder)trans-100.2121.8176.6-52.7169.8000109.3D253 W254 L255 L350D253-I257 WeakPolarHBondContact CA-O 3.21Å; W254-I257 PolarHBondContact N-O 2.88Å; W254-I257 WeakPolarHBondContact O-CB 3.49Å; W254-I257 PolarHBondContact O-N 2.87Å; L255-I257 PolarHBondContact O-N 3.02Å; I257-L350 HydrophobicContact CG2-CD2 3.74Å
258S78.7Confident78.1Confident53 Ų5356.8 Ų56.837%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-84.1118.9174-156.70000111.1D253D253-S258 WeakPolarHBondContact OD1-CA 3.41Å; D253-S258 WeakPolarHBondContact OD1-CB 3.32Å; D253-S258 PolarHBondContact OD1-OG 3.16Å
259I81Confident78.9Confident2 Ų249 Ų491%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-105.3113.1-177-53.3171.9000108.8E251 V252 W254 V261 L350 L351 Y354E251-I259 WeakPolarHBondContact CA-O 3.24Å; V252-I259 PolarHBondContact N-O 2.9Å; V252-I259 PolarHBondContact O-N 3.46Å; W254-I259 HydrophobicContact CB-CD1 4.13Å; W254-I259 HydrophobicContact CE3-CD1 4.23Å; I259-V261 PolarHBondContact O-N 3.48Å; I259-L350 HydrophobicContact CD1-CD2 4.06Å; I259-L350 HydrophobicContact CD1-CG 3.78Å; I259-L350 HydrophobicContact CG1-CD2 3.76Å; I259-L350 HydrophobicContact CG1-CG 4.04Å; I259-L351 HydrophobicContact CG2-CB 4Å; I259-L351 HydrophobicContact CG2-CD1 4.14Å; I259-Y354 HydrophobicContact CD1-CG 4.23Å
260P78.9Confident79.8Confident45 Ų4548.1 Ų48.129%0.29227%0.268SS..EExtended strand (participates in β ladder)trans-73.9122.8175.528.3-33.3000110.8
261V80.4Confident80.8Confident5 Ų545.6 Ų45.63%0.0325%0.248CC..  trans-100.9113-176.4-170.80000109.7S250 V252 I259 A266 K267 I270 L351S250-V261 PolarHBondContact O-N 3.3Å; V252-V261 HydrophobicContact CG2-CG2 4.04Å; I259-V261 PolarHBondContact O-N 3.48Å; V261-A266 HydrophobicContact CG1-CB 3.57Å; V261-K267 HydrophobicContact CB-CG 4.21Å; V261-K267 HydrophobicContact CG1-CG 3.72Å; V261-K267 WeakPolarHBondContact O-CE 3.4Å; V261-I270 HydrophobicContact CG1-CD1 4.17Å; V261-I270 HydrophobicContact CG2-CD1 3.8Å; V261-L351 HydrophobicContact CG1-CD1 4.42Å; V261-L351 HydrophobicContact CG1-CD2 4.32Å; V261-L351 HydrophobicContact CG2-CD1 4.02Å
262K77.2Confident81.1Confident156 Ų15639.9 Ų39.968%0.67822%0.222SC*.  trans-98.1-29.3177.2-66-175.9179-177.80113.4E264K262-E264 PolarHBondContact O-N 3.36Å
263S82.1Confident81.4Confident7 Ų739.9 Ų39.95%0.04922%0.222CC..  trans-73122.6-176.5-167.30000110.8K265 A266 K267 S306 E310S263-K265 VanDerWaalsContact C-N 3.28Å; S263-K265 PolarHBondContact O-N 3.43Å; S263-A266 WeakPolarHBondContact O-CB 3.48Å; S263-A266 PolarHBondContact O-N 3.18Å; S263-A266 VanDerWaalsContact O-N 3.11Å; S263-K267 WeakPolarHBondContact O-CG 3.46Å; S263-K267 PolarHBondContact O-N 3.1Å; S263-S306 PolarHBondContact OG-OG 3.3Å; S263-E310 VanDerWaalsContact CB-OE1 3.23Å; S263-E310 WeakPolarHBondContact CB-OE1 3.36Å; S263-E310 PolarHBondContact OG-OE1 3.02Å
264E80.5Confident81.8Confident66 Ų6638.7 Ų38.731%0.30821%0.212SC..Hα-helixtrans-56.9-41.8-179.5-178.261-163.400112S243 K262 A266 K267 I268S243-E264 WeakPolarHBondContact CA-OE1 3.35Å; S243-E264 WeakPolarHBondContact CB-OE1 3.14Å; S243-E264 PolarHBondContact OG-OE1 2.91Å; K262-E264 PolarHBondContact O-N 3.36Å; E264-A266 VanDerWaalsContact C-N 3.33Å; E264-A266 PolarHBondContact O-N 2.94Å; E264-K267 PolarHBondContact O-N 3.06Å; E264-I268 HydrophobicContact CG-CD1 4.09Å; E264-I268 VanDerWaalsContact O-CG1 3.3Å; E264-I268 WeakPolarHBondContact O-CG1 3.14Å; E264-I268 PolarHBondContact O-N 2.57Å
265K84.8Confident82Confident98 Ų9839.8 Ų39.843%0.42622%0.218SC..Hα-helixtrans-65.3-36.8178.3-71.7-179.4169.9-175.40112.5S263 A269S263-K265 VanDerWaalsContact C-N 3.28Å; S263-K265 PolarHBondContact O-N 3.43Å; K265-A269 PolarHBondContact O-N 2.87Å
266A84.6Confident82.6Confident0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-67.7-43.3175.800000111.1V261 S263 E264 I268 A269 I270 A303 V307 L351 L355V261-A266 HydrophobicContact CG1-CB 3.57Å; S263-A266 WeakPolarHBondContact O-CB 3.48Å; S263-A266 PolarHBondContact O-N 3.18Å; S263-A266 VanDerWaalsContact O-N 3.11Å; E264-A266 VanDerWaalsContact C-N 3.33Å; E264-A266 PolarHBondContact O-N 2.94Å; A266-I268 VanDerWaalsContact C-N 3.33Å; A266-I268 PolarHBondContact O-N 2.98Å; A266-A269 PolarHBondContact O-N 3.06Å; A266-I270 WeakPolarHBondContact O-CD1 3.45Å; A266-I270 VanDerWaalsContact O-CG1 3.27Å; A266-I270 WeakPolarHBondContact O-CG1 3.47Å; A266-I270 PolarHBondContact O-N 3.16Å; A266-A303 HydrophobicContact CB-CB 4.47Å; A266-V307 HydrophobicContact CB-CG2 4.2Å; A266-L351 HydrophobicContact CB-CD2 4.42Å; A266-L355 HydrophobicContact CB-CD1 4.1Å
267K86.6Confident83.2Confident31 Ų3141 Ų4114%0.13520%0.201CC..Hα-helixtrans-57.3-46.5174.9-65.6178.1172-142.80111.9A246 V249 V261 S263 E264 I270 L271A246-K267 HydrophobicContact CB-CB 3.94Å; A246-K267 WeakPolarHBondContact O-CD 3.49Å; V249-K267 WeakPolarHBondContact O-CD 3.33Å; V249-K267 WeakPolarHBondContact O-CE 3.33Å; V249-K267 PolarHBondContact O-NZ 3.39Å; V261-K267 HydrophobicContact CB-CG 4.21Å; V261-K267 HydrophobicContact CG1-CG 3.72Å; V261-K267 WeakPolarHBondContact O-CE 3.4Å; S263-K267 WeakPolarHBondContact O-CG 3.46Å; S263-K267 PolarHBondContact O-N 3.1Å; E264-K267 PolarHBondContact O-N 3.06Å; K267-I270 PolarHBondContact O-N 2.91Å; K267-L271 WeakPolarHBondContact O-CB 3.4Å; K267-L271 PolarHBondContact O-N 2.67Å
268I84.1Confident83.4Confident24 Ų2441.2 Ų41.212%0.12321%0.205CC..Hα-helixtrans-59.4-49.8176.7-66.9165.5000110.3R242 A246 E264 A266 I270 L271 T272 L299R242-I268 HydrophobicContact CB-CG2 4.21Å; A246-I268 HydrophobicContact CB-CB 4.37Å; A246-I268 HydrophobicContact CB-CG1 3.6Å; E264-I268 HydrophobicContact CG-CD1 4.09Å; E264-I268 VanDerWaalsContact O-CG1 3.3Å; E264-I268 WeakPolarHBondContact O-CG1 3.14Å; E264-I268 PolarHBondContact O-N 2.57Å; A266-I268 VanDerWaalsContact C-N 3.33Å; A266-I268 PolarHBondContact O-N 2.98Å; I268-I270 VanDerWaalsContact C-N 3.34Å; I268-I270 PolarHBondContact O-N 2.91Å; I268-L271 PolarHBondContact O-N 3.03Å; I268-T272 HydrophobicContact CG2-CG2 4.43Å; I268-T272 VanDerWaalsContact O-CG2 3.29Å; I268-T272 WeakPolarHBondContact O-CG2 3.47Å; I268-T272 PolarHBondContact O-N 3.39Å; I268-T272 PolarHBondContact O-OG1 3.35Å; I268-L299 HydrophobicContact CG2-CD1 4.49Å; I268-L299 HydrophobicContact CG2-CD2 4.49Å
269A86.2Confident83.5Confident0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-60.1-43.3-178.900000112.4K265 A266 T272 V273 L299 A303K265-A269 PolarHBondContact O-N 2.87Å; A266-A269 PolarHBondContact O-N 3.06Å; A269-T272 WeakPolarHBondContact CA-OG1 3.38Å; A269-T272 PolarHBondContact O-N 3.43Å; A269-T272 PolarHBondContact O-OG1 2.97Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 3.39Å; A269-V273 VanDerWaalsContact O-N 3.09Å; A269-L299 HydrophobicContact CB-CB 4.35Å; A269-A303 HydrophobicContact CB-CB 3.75Å
270I87.5Confident83.5Confident2 Ų242.1 Ų42.11%0.0120%0.204CC..Hα-helixtrans-64.2-51.4179.5-69.8158.7000110.9V249 V252 V261 A266 K267 I268 T272 V273 E274 Y354 L355V249-I270 HydrophobicContact CG1-CG2 4.37Å; V252-I270 HydrophobicContact CG2-CD1 3.74Å; V252-I270 HydrophobicContact CG2-CG1 4.34Å; V252-I270 HydrophobicContact CG2-CG2 3.58Å; V261-I270 HydrophobicContact CG1-CD1 4.17Å; V261-I270 HydrophobicContact CG2-CD1 3.8Å; A266-I270 WeakPolarHBondContact O-CD1 3.45Å; A266-I270 VanDerWaalsContact O-CG1 3.27Å; A266-I270 WeakPolarHBondContact O-CG1 3.47Å; A266-I270 PolarHBondContact O-N 3.16Å; K267-I270 PolarHBondContact O-N 2.91Å; I268-I270 VanDerWaalsContact C-N 3.34Å; I268-I270 PolarHBondContact O-N 2.91Å; I270-T272 PolarHBondContact O-N 3.43Å; I270-V273 PolarHBondContact O-N 3.44Å; I270-E274 PolarHBondContact O-N 3.43Å; I270-E274 VanDerWaalsContact O-N 3.1Å; I270-Y354 HydrophobicContact CD1-CE1 4.17Å; I270-Y354 HydrophobicContact CG1-CE1 4.07Å; I270-L355 HydrophobicContact CG1-CD2 4.45Å
271L85.7Confident83.7Confident21 Ų2147.9 Ų47.911%0.1123%0.227CC..Hα-helixtrans-55.7-43.3177.7-178.767.5000110.9Q245 A246 V249 K267 I268 V273 E274 E275Q245-L271 HydrophobicContact CB-CD2 3.52Å; A246-L271 HydrophobicContact CB-CD2 4.24Å; V249-L271 HydrophobicContact CG2-CB 4.15Å; V249-L271 HydrophobicContact CG2-CD1 4.03Å; K267-L271 WeakPolarHBondContact O-CB 3.4Å; K267-L271 PolarHBondContact O-N 2.67Å; I268-L271 PolarHBondContact O-N 3.03Å; L271-V273 VanDerWaalsContact C-N 3.28Å; L271-V273 PolarHBondContact O-N 3.29Å; L271-E274 PolarHBondContact O-N 2.81Å; L271-E274 VanDerWaalsContact O-N 3.09Å; L271-E275 HydrophobicContact CD1-CG 4.48Å; L271-E275 HydrophobicContact CG-CG 4.38Å; L271-E275 WeakPolarHBondContact O-CG 3.48Å; L271-E275 PolarHBondContact O-N 3.11Å
272T83.8Confident83.8Confident4 Ų454.7 Ų54.73%0.02526%0.257CS..Hα-helixtrans-65.2-31.2178.655.90000113.4R242 I268 A269 I270 S276 L299R242-T272 HydrophobicContact CG-CG2 4.35Å; I268-T272 HydrophobicContact CG2-CG2 4.43Å; I268-T272 VanDerWaalsContact O-CG2 3.29Å; I268-T272 WeakPolarHBondContact O-CG2 3.47Å; I268-T272 PolarHBondContact O-N 3.39Å; I268-T272 PolarHBondContact O-OG1 3.35Å; A269-T272 WeakPolarHBondContact CA-OG1 3.38Å; A269-T272 PolarHBondContact O-N 3.43Å; A269-T272 PolarHBondContact O-OG1 2.97Å; I270-T272 PolarHBondContact O-N 3.43Å; T272-S276 WeakPolarHBondContact O-CB 3.45Å; T272-S276 PolarHBondContact O-N 3.03Å; T272-S276 PolarHBondContact O-OG 3.32Å; T272-L299 HydrophobicContact CG2-CD1 3.67Å
273V86.8Confident84Confident9 Ų948 Ų486%0.05523%0.231CC..Hα-helixtrans-68.4-38.6173.1174.60000110.8A269 I270 L271 S276 K277 I296 L358A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 3.39Å; A269-V273 VanDerWaalsContact O-N 3.09Å; I270-V273 PolarHBondContact O-N 3.44Å; L271-V273 VanDerWaalsContact C-N 3.28Å; L271-V273 PolarHBondContact O-N 3.29Å; V273-S276 WeakPolarHBondContact CA-OG 3.37Å; V273-S276 PolarHBondContact O-N 3.42Å; V273-S276 PolarHBondContact O-OG 3.23Å; V273-K277 PolarHBondContact O-N 3.45Å; V273-I296 HydrophobicContact CG2-CG2 3.54Å; V273-L358 HydrophobicContact CB-CD1 4.38Å; V273-L358 HydrophobicContact CG1-CD1 3.95Å; V273-L358 HydrophobicContact CG2-CD1 4.07Å; V273-L358 HydrophobicContact CG2-CD2 3.82Å; V273-L358 HydrophobicContact CG2-CG 4.04Å
274E86.2Confident83.8Confident101 Ų10156.6 Ų56.647%0.47227%0.27SS..Hα-helixtrans-66.5-49.8177.1-66.5-178.5165.900112.2I270 L271 S276 K277I270-E274 PolarHBondContact O-N 3.43Å; I270-E274 VanDerWaalsContact O-N 3.1Å; L271-E274 PolarHBondContact O-N 2.81Å; L271-E274 VanDerWaalsContact O-N 3.09Å; E274-S276 VanDerWaalsContact C-N 3.26Å; E274-S276 PolarHBondContact O-N 2.89Å; E274-K277 WeakPolarHBondContact O-CB 3.3Å; E274-K277 PolarHBondContact O-N 3.28Å
275E84Confident83.9Confident36 Ų3657.8 Ų57.817%0.16828%0.282CS..Hα-helixtrans-57.1-42.9175.2-70.7177.5177.300111Q216 L271 K277 T278 E279Q216-E275 PolarHBondContact NE2-OE2 2.87Å; L271-E275 HydrophobicContact CD1-CG 4.48Å; L271-E275 HydrophobicContact CG-CG 4.38Å; L271-E275 WeakPolarHBondContact O-CG 3.48Å; L271-E275 PolarHBondContact O-N 3.11Å; E275-K277 PolarHBondContact O-N 2.98Å; E275-K277 VanDerWaalsContact O-N 3.15Å; E275-T278 PolarHBondContact O-N 3.2Å; E275-T278 PolarHBondContact O-OG1 3.22Å; E275-E279 PolarHBondContact O-N 3.21Å
276S84.5Confident83.9Confident8 Ų855.2 Ų55.26%0.05627%0.273CS..Hα-helixtrans-63-23.6-177.773.20000114.3T272 V273 E274 T278 E279 L280 I296T272-S276 WeakPolarHBondContact O-CB 3.45Å; T272-S276 PolarHBondContact O-N 3.03Å; T272-S276 PolarHBondContact O-OG 3.32Å; V273-S276 WeakPolarHBondContact CA-OG 3.37Å; V273-S276 PolarHBondContact O-N 3.42Å; V273-S276 PolarHBondContact O-OG 3.23Å; E274-S276 VanDerWaalsContact C-N 3.26Å; E274-S276 PolarHBondContact O-N 2.89Å; S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.34Å; S276-E279 PolarHBondContact O-N 3.49Å; S276-L280 VanDerWaalsContact O-CB 3.24Å; S276-L280 WeakPolarHBondContact O-CB 3.43Å; S276-L280 PolarHBondContact O-N 3.49Å; S276-I296 WeakPolarHBondContact OG-CD1 3.49Å
277K86.2Confident83.8Confident127 Ų12761.4 Ų61.455%0.55230%0.301SS*.Hα-helixtrans-61-45.6174-68.7176.5-178.4175.80110.1V273 E274 E275 E279 L280 E281V273-K277 PolarHBondContact O-N 3.45Å; E274-K277 WeakPolarHBondContact O-CB 3.3Å; E274-K277 PolarHBondContact O-N 3.28Å; E275-K277 PolarHBondContact O-N 2.98Å; E275-K277 VanDerWaalsContact O-N 3.15Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.44Å; K277-L280 PolarHBondContact O-N 3.29Å; K277-E281 WeakPolarHBondContact O-CG 3.29Å; K277-E281 PolarHBondContact O-N 3.38Å
278T81.9Confident83.6Confident71 Ų7161 Ų6144%0.43630%0.304SS..Hα-helixtrans-70-30.7177.373.60000112.4E275 S276 K282E275-T278 PolarHBondContact O-N 3.2Å; E275-T278 PolarHBondContact O-OG1 3.22Å; S276-T278 VanDerWaalsContact C-N 3.31Å; S276-T278 PolarHBondContact O-N 3.34Å; T278-K282 WeakPolarHBondContact O-CG 3.1Å; T278-K282 PolarHBondContact O-N 2.87Å
279E79.7Confident83.8Confident27 Ų2762.5 Ų62.513%0.12631%0.31CS..Hα-helixtrans-71.3-40.4175.3-64179.2-175.100111.7Q216 E275 S276 K277 E281 K282 A283 I292Q216-E279 PolarHBondContact NE2-OE1 3.42Å; Q216-E279 PolarHBondContact OE1-OE1 3.49Å; E275-E279 PolarHBondContact O-N 3.21Å; S276-E279 PolarHBondContact O-N 3.49Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.44Å; E279-E281 VanDerWaalsContact C-N 3.27Å; E279-E281 PolarHBondContact O-N 3.03Å; E279-K282 CarbonylContact O-C 3.52Å; E279-K282 PolarHBondContact O-N 2.92Å; E279-K282 VanDerWaalsContact O-N 3.11Å; E279-A283 WeakPolarHBondContact O-CB 3.43Å; E279-A283 PolarHBondContact O-N 2.92Å; E279-I292 HydrophobicContact CB-CD1 4.06Å
280L82.6Confident83.9Confident46 Ų4662.8 Ų62.824%0.24131%0.311CS..Hα-helixtrans-65.6-32.9-179.4-170.473.2000111.9S276 K277 K289 Y293S276-L280 VanDerWaalsContact O-CB 3.24Å; S276-L280 WeakPolarHBondContact O-CB 3.43Å; S276-L280 PolarHBondContact O-N 3.49Å; K277-L280 PolarHBondContact O-N 3.29Å; L280-K289 HydrophobicContact CD1-CB 3.75Å; L280-K289 HydrophobicContact CD1-CD 3.88Å; L280-K289 HydrophobicContact CD1-CG 3.67Å; L280-Y293 HydrophobicContact CD1-CE2 3.76Å; L280-Y293 HydrophobicContact CD2-CE2 4.34Å; L280-Y293 WeakPolarHBondContact CD2-OH 3.46Å
281E83.3Confident83.8Confident166 Ų16664.4 Ų64.478%0.77632%0.322SS*.Hα-helixtrans-67.4-35.1172.6-72.2172.1-178.300112.4K277 E279K277-E281 WeakPolarHBondContact O-CG 3.29Å; K277-E281 PolarHBondContact O-N 3.38Å; E279-E281 VanDerWaalsContact C-N 3.27Å; E279-E281 PolarHBondContact O-N 3.03Å
282K82.1Confident83.8Confident149 Ų14963.6 Ų63.665%0.64832%0.318SS*.Hα-helixtrans-83.8-17.3178.8-67.2171.3-174.9170.10113.4T278 E279 E284T278-K282 WeakPolarHBondContact O-CG 3.1Å; T278-K282 PolarHBondContact O-N 2.87Å; E279-K282 CarbonylContact O-C 3.52Å; E279-K282 PolarHBondContact O-N 2.92Å; E279-K282 VanDerWaalsContact O-N 3.11Å; K282-E284 PolarHBondContact O-N 3.47Å
283A80Confident84.1Confident16 Ų1664.3 Ų64.313%0.13232%0.321CS..  trans-78.4111.2-177.400000111.3E279 A288 K289 I292E279-A283 WeakPolarHBondContact O-CB 3.43Å; E279-A283 PolarHBondContact O-N 2.92Å; A283-A288 HydrophobicContact CB-CB 4.37Å; A283-K289 HydrophobicContact CB-CG 3.85Å; A283-K289 WeakPolarHBondContact O-CE 3.21Å; A283-I292 HydrophobicContact CB-CD1 4.14Å
284E78.8Confident84.2Confident187 Ų18768.5 Ų68.587%0.87434%0.34SS*.  trans-77.4-41.5179-63.4178.8-179.600112.3K282K282-E284 PolarHBondContact O-N 3.47Å
285T83.4Confident84.2Confident91 Ų9165.4 Ų65.456%0.55833%0.329SS*.SBendtrans-89136.6-173.4-45.40000112.3Q287 A288 K289T285-Q287 HydrophobicContact CG2-CB 4.13Å; T285-Q287 PolarHBondContact O-N 2.75Å; T285-A288 PolarHBondContact O-N 3.25Å; T285-A288 VanDerWaalsContact O-N 3.07Å; T285-K289 PolarHBondContact O-N 3.43Å
286L83.4Confident84.4Confident44 Ų4464 Ų6423%0.2332%0.323CS..Hα-helixtrans-54.2-38.3174.4-67.3176.9000112.8A288 K289 L290 L369 E372L286-A288 PolarHBondContact O-N 2.83Å; L286-K289 WeakPolarHBondContact O-CB 3.11Å; L286-K289 PolarHBondContact O-N 3.36Å; L286-L290 PolarHBondContact O-N 3.32Å; L286-L369 HydrophobicContact CD2-CD2 4.03Å; L286-E372 HydrophobicContact CD1-CG 4.47Å
287Q83.6Confident84.8Confident129 Ų12964.6 Ų64.660%0.60333%0.325SS*.Hα-helixtrans-63.8-37.7178.1-169.664.311.500113.1T285 K289 L290 S291T285-Q287 HydrophobicContact CG2-CB 4.13Å; T285-Q287 PolarHBondContact O-N 2.75Å; Q287-K289 VanDerWaalsContact C-N 3.35Å; Q287-L290 PolarHBondContact O-N 2.74Å; Q287-S291 PolarHBondContact O-N 2.81Å
288A82.5Confident84.9Confident23 Ų2364.3 Ų64.319%0.1932%0.324CS..Hα-helixtrans-69-36175.900000111.2A283 T285 L286 L290 S291 I292A283-A288 HydrophobicContact CB-CB 4.37Å; T285-A288 PolarHBondContact O-N 3.25Å; T285-A288 VanDerWaalsContact O-N 3.07Å; L286-A288 PolarHBondContact O-N 2.83Å; A288-L290 VanDerWaalsContact C-N 3.35Å; A288-S291 PolarHBondContact O-N 3.08Å; A288-S291 PolarHBondContact O-OG 3.34Å; A288-I292 WeakPolarHBondContact O-CD1 3.43Å; A288-I292 VanDerWaalsContact O-CG1 3.24Å; A288-I292 WeakPolarHBondContact O-CG1 3.32Å; A288-I292 PolarHBondContact O-N 3.45Å; A288-I292 VanDerWaalsContact O-N 3.16Å
289K87.8Confident85.2Confident56 Ų5662.4 Ų62.424%0.24331%0.311CS..Hα-helixtrans-62.9-42.7173-59.8-172.6177.6177.70111.3L280 A283 T285 L286 Q287 I292 Y293 L369L280-K289 HydrophobicContact CD1-CB 3.75Å; L280-K289 HydrophobicContact CD1-CD 3.88Å; L280-K289 HydrophobicContact CD1-CG 3.67Å; A283-K289 HydrophobicContact CB-CG 3.85Å; A283-K289 WeakPolarHBondContact O-CE 3.21Å; T285-K289 PolarHBondContact O-N 3.43Å; L286-K289 WeakPolarHBondContact O-CB 3.11Å; L286-K289 PolarHBondContact O-N 3.36Å; Q287-K289 VanDerWaalsContact C-N 3.35Å; K289-I292 PolarHBondContact O-N 2.89Å; K289-Y293 WeakPolarHBondContact O-CD2 3.14Å; K289-Y293 PolarHBondContact O-N 3.05Å; K289-Y293 VanDerWaalsContact O-N 3.12Å; K289-L369 HydrophobicContact CB-CD1 3.68Å; K289-L369 HydrophobicContact CD-CD2 4.45Å
290L88.2Confident85.7Confident6 Ų661.1 Ų61.13%0.03131%0.305CS..Hα-helixtrans-61.7-45.2176.9-72.1174.5000112.4L286 Q287 A288 I292 Y293 E294 R366 L369L286-L290 PolarHBondContact O-N 3.32Å; Q287-L290 PolarHBondContact O-N 2.74Å; A288-L290 VanDerWaalsContact C-N 3.35Å; L290-I292 VanDerWaalsContact C-N 3.32Å; L290-I292 PolarHBondContact O-N 3.22Å; L290-Y293 PolarHBondContact O-N 3.05Å; L290-E294 WeakPolarHBondContact O-CG 3.41Å; L290-E294 PolarHBondContact O-N 3.28Å; L290-R366 HydrophobicContact CD2-CG 4.01Å; L290-L369 HydrophobicContact CD2-CB 3.7Å; L290-L369 HydrophobicContact CD2-CD1 4.48Å; L290-L369 HydrophobicContact CG-CB 4.44Å
291S84.7Confident86.2Confident35 Ų3562.2 Ų62.225%0.24531%0.313CS..Hα-helixtrans-64.1-36.4179.465.30000112.6Q287 A288 E294 S295Q287-S291 PolarHBondContact O-N 2.81Å; A288-S291 PolarHBondContact O-N 3.08Å; A288-S291 PolarHBondContact O-OG 3.34Å; S291-E294 PolarHBondContact O-N 2.88Å; S291-S295 PolarHBondContact O-N 3.48Å; S291-S295 VanDerWaalsContact O-N 3.08Å
292I86.5Confident86.5Confident5 Ų557.8 Ų57.83%0.02629%0.293CS..Hα-helixtrans-60.4-49.9172.2-68.1164.2000110.4N220 E279 A283 A288 K289 L290 E294 S295 I296N220-I292 WeakPolarHBondContact ND2-CG1 3.24Å; E279-I292 HydrophobicContact CB-CD1 4.06Å; A283-I292 HydrophobicContact CB-CD1 4.14Å; A288-I292 WeakPolarHBondContact O-CD1 3.43Å; A288-I292 VanDerWaalsContact O-CG1 3.24Å; A288-I292 WeakPolarHBondContact O-CG1 3.32Å; A288-I292 PolarHBondContact O-N 3.45Å; A288-I292 VanDerWaalsContact O-N 3.16Å; K289-I292 PolarHBondContact O-N 2.89Å; L290-I292 VanDerWaalsContact C-N 3.32Å; L290-I292 PolarHBondContact O-N 3.22Å; I292-E294 PolarHBondContact O-N 2.88Å; I292-S295 WeakPolarHBondContact O-CB 3.42Å; I292-S295 PolarHBondContact O-N 2.96Å; I292-I296 HydrophobicContact CG2-CD1 3.84Å; I292-I296 VanDerWaalsContact O-CG1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.47Å; I292-I296 PolarHBondContact O-N 3.32Å
293Y91Very high86.8Confident18 Ų1850.7 Ų50.77%0.07126%0.262CS..Hα-helixtrans-62.3-39178.6-80.2-64.4000113.3L280 K289 L290 S295 I296 L297 K362 D365 R366 L369L280-Y293 HydrophobicContact CD1-CE2 3.76Å; L280-Y293 HydrophobicContact CD2-CE2 4.34Å; L280-Y293 WeakPolarHBondContact CD2-OH 3.46Å; K289-Y293 WeakPolarHBondContact O-CD2 3.14Å; K289-Y293 PolarHBondContact O-N 3.05Å; K289-Y293 VanDerWaalsContact O-N 3.12Å; L290-Y293 PolarHBondContact O-N 3.05Å; Y293-S295 VanDerWaalsContact C-N 3.34Å; Y293-S295 PolarHBondContact O-N 3.42Å; Y293-I296 HydrophobicContact CD1-CD1 4.38Å; Y293-I296 PolarHBondContact O-N 3Å; Y293-L297 WeakPolarHBondContact O-CB 3.31Å; Y293-L297 VanDerWaalsContact O-CG 3.24Å; Y293-L297 WeakPolarHBondContact O-CG 3.39Å; Y293-L297 PolarHBondContact O-N 2.72Å; Y293-K362 HydrophobicContact CD1-CB 4.35Å; Y293-K362 HydrophobicContact CD1-CD 4.13Å; Y293-K362 HydrophobicContact CE1-CD 3.73Å; Y293-D365 HydrophobicContact CD1-CB 4.4Å; Y293-D365 HydrophobicContact CE1-CB 3.62Å; Y293-D365 HydrophobicContact CE2-CB 4.37Å; Y293-R366 HydrophobicContact CG-CB 4.15Å; Y293-L369 HydrophobicContact CD2-CD1 3.53Å; Y293-L369 HydrophobicContact CE2-CD1 3.32Å; Y293-L369 HydrophobicContact CE2-CG 4.49Å
294E88.2Confident87.3Confident98 Ų9850.4 Ų50.446%0.45826%0.258SS..Hα-helixtrans-62.6-41.1176.4-72.7178.817400112.1L290 S291 I292 L297 K298L290-E294 WeakPolarHBondContact O-CG 3.41Å; L290-E294 PolarHBondContact O-N 3.28Å; S291-E294 PolarHBondContact O-N 2.88Å; I292-E294 PolarHBondContact O-N 2.88Å; E294-L297 PolarHBondContact O-N 3.26Å; E294-K298 PolarHBondContact O-N 2.86Å
295S85.7Confident87.9Confident36 Ų3644.4 Ų44.425%0.25223%0.234SC..Hα-helixtrans-61.6-47.4175.2-172.60000111.8S291 I292 Y293 L297 K298 L299S291-S295 PolarHBondContact O-N 3.48Å; S291-S295 VanDerWaalsContact O-N 3.08Å; I292-S295 WeakPolarHBondContact O-CB 3.42Å; I292-S295 PolarHBondContact O-N 2.96Å; Y293-S295 VanDerWaalsContact C-N 3.34Å; Y293-S295 PolarHBondContact O-N 3.42Å; S295-L297 PolarHBondContact O-N 3.41Å; S295-K298 PolarHBondContact O-N 3.12Å; S295-L299 PolarHBondContact O-N 2.99Å
296I88.6Confident88.1Confident5 Ų541.3 Ų41.33%0.02622%0.216CC..Hα-helixtrans-60.1-47.8176.9-67.2163.6000111.2V273 S276 I292 Y293 K298 L299 C300 K362V273-I296 HydrophobicContact CG2-CG2 3.54Å; S276-I296 WeakPolarHBondContact OG-CD1 3.49Å; I292-I296 HydrophobicContact CG2-CD1 3.84Å; I292-I296 VanDerWaalsContact O-CG1 3.32Å; I292-I296 WeakPolarHBondContact O-CG1 3.47Å; I292-I296 PolarHBondContact O-N 3.32Å; Y293-I296 HydrophobicContact CD1-CD1 4.38Å; Y293-I296 PolarHBondContact O-N 3Å; I296-K298 VanDerWaalsContact C-N 3.31Å; I296-K298 PolarHBondContact O-N 3.48Å; I296-L299 PolarHBondContact O-N 3.09Å; I296-C300 PolarHBondContact O-N 2.99Å; I296-C300 PolarHBondContact O-SG 2.9Å; I296-K362 HydrophobicContact CG2-CB 4.42Å; I296-K362 HydrophobicContact CG2-CG 4.08Å
297L92.3Very high88.4Confident21 Ų2139.2 Ų39.211%0.1121%0.205CC..Hα-helixtrans-63.5-39.1-177.3-74.2173.3000111.7Y293 E294 S295 C300 V301 K359 K362 T363 R366Y293-L297 WeakPolarHBondContact O-CB 3.31Å; Y293-L297 VanDerWaalsContact O-CG 3.24Å; Y293-L297 WeakPolarHBondContact O-CG 3.39Å; Y293-L297 PolarHBondContact O-N 2.72Å; E294-L297 PolarHBondContact O-N 3.26Å; S295-L297 PolarHBondContact O-N 3.41Å; L297-C300 PolarHBondContact O-N 3.09Å; L297-V301 WeakPolarHBondContact O-CG2 3.44Å; L297-V301 PolarHBondContact O-N 3.34Å; L297-K359 HydrophobicContact CD2-CG 4.25Å; L297-K359 WeakPolarHBondContact CD2-O 3.32Å; L297-K362 HydrophobicContact CD2-CB 3.85Å; L297-K362 HydrophobicContact CG-CB 4.45Å; L297-T363 WeakPolarHBondContact CD2-OG1 3.48Å; L297-R366 HydrophobicContact CD1-CB 4.4Å
298K89.6Confident88.6Confident121 Ų12138 Ų3853%0.52620%0.195SC..Hα-helixtrans-58.2-48.8174.2-175.9-176.9174-171.70111.2E294 S295 I296 V301 E302E294-K298 PolarHBondContact O-N 2.86Å; S295-K298 PolarHBondContact O-N 3.12Å; I296-K298 VanDerWaalsContact C-N 3.31Å; I296-K298 PolarHBondContact O-N 3.48Å; K298-V301 PolarHBondContact O-N 2.99Å; K298-E302 WeakPolarHBondContact CE-OE1 3.33Å; K298-E302 WeakPolarHBondContact O-CG 3.26Å; K298-E302 PolarHBondContact O-N 3.19Å
299L87.4Confident88.8Confident32 Ų3240.7 Ų40.717%0.16821%0.206CC..Hα-helixtrans-65.5-38.7178.2-67.5174.8000112.6I268 A269 T272 S295 I296 V301 E302 A303I268-L299 HydrophobicContact CG2-CD1 4.49Å; I268-L299 HydrophobicContact CG2-CD2 4.49Å; A269-L299 HydrophobicContact CB-CB 4.35Å; T272-L299 HydrophobicContact CG2-CD1 3.67Å; S295-L299 PolarHBondContact O-N 2.99Å; I296-L299 PolarHBondContact O-N 3.09Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 3.28Å; L299-E302 PolarHBondContact O-N 3.43Å; L299-A303 WeakPolarHBondContact O-CB 3.46Å; L299-A303 PolarHBondContact O-N 3.15Å
300C90.1Very high88.7Confident0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-60.4-43.3174.6-690000111.2I296 L297 A303 I304 K359I296-C300 PolarHBondContact O-N 2.99Å; I296-C300 PolarHBondContact O-SG 2.9Å; L297-C300 PolarHBondContact O-N 3.09Å; C300-A303 PolarHBondContact O-N 3.1Å; C300-I304 WeakPolarHBondContact O-CB 2.96Å; C300-I304 WeakPolarHBondContact O-CD1 3.42Å; C300-I304 WeakPolarHBondContact O-CG1 3.46Å; C300-I304 PolarHBondContact O-N 3.49Å; C300-K359 HydrophobicContact CB-CB 4.21Å
301V92.5Very high88.6Confident68 Ų6840.7 Ų40.741%0.41221%0.207SC..Hα-helixtrans-64.4-42177171.60000111.5L297 K298 L299 A303 I304 T305 K359L297-V301 WeakPolarHBondContact O-CG2 3.44Å; L297-V301 PolarHBondContact O-N 3.34Å; K298-V301 PolarHBondContact O-N 2.99Å; L299-V301 VanDerWaalsContact C-N 3.33Å; L299-V301 PolarHBondContact O-N 3.28Å; V301-A303 VanDerWaalsContact C-N 3.34Å; V301-A303 PolarHBondContact O-N 3.34Å; V301-I304 PolarHBondContact O-N 2.7Å; V301-T305 WeakPolarHBondContact O-CG2 3.24Å; V301-T305 PolarHBondContact O-N 2.65Å; V301-T305 PolarHBondContact O-OG1 3.16Å; V301-K359 HydrophobicContact CG2-CD 4.4Å
302E89.3Confident88.7Confident74 Ų7445 Ų4535%0.34622%0.218SC..Hα-helixtrans-64.1-36.3174.8-70.5178.7-161.400112.7K298 L299 T305 S306K298-E302 WeakPolarHBondContact CE-OE1 3.33Å; K298-E302 WeakPolarHBondContact O-CG 3.26Å; K298-E302 PolarHBondContact O-N 3.19Å; L299-E302 PolarHBondContact O-N 3.43Å; E302-T305 WeakPolarHBondContact CA-OG1 3.4Å; E302-T305 PolarHBondContact O-OG1 3.39Å; E302-S306 PolarHBondContact O-N 2.97Å; E302-S306 VanDerWaalsContact O-N 3.16Å
303A89.1Confident88.6Confident0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-69.1-45.917400000112.1A266 A269 L299 C300 V301 T305 S306 V307 L355A266-A303 HydrophobicContact CB-CB 4.47Å; A269-A303 HydrophobicContact CB-CB 3.75Å; L299-A303 WeakPolarHBondContact O-CB 3.46Å; L299-A303 PolarHBondContact O-N 3.15Å; C300-A303 PolarHBondContact O-N 3.1Å; V301-A303 VanDerWaalsContact C-N 3.34Å; V301-A303 PolarHBondContact O-N 3.34Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 2.99Å; A303-S306 WeakPolarHBondContact O-CB 3.4Å; A303-S306 PolarHBondContact O-N 3.09Å; A303-V307 WeakPolarHBondContact O-CG2 3.47Å; A303-V307 PolarHBondContact O-N 2.73Å; A303-L355 HydrophobicContact CB-CD1 4.08Å; A303-L355 HydrophobicContact CB-CD2 4.31Å
304I91.4Very high88.1Confident10 Ų1049.3 Ų49.35%0.05125%0.249CC..Hα-helixtrans-58.9-44.6177.7-71.9160.2000110.7C300 V301 R308 Y352 L355 Q356 K359C300-I304 WeakPolarHBondContact O-CB 2.96Å; C300-I304 WeakPolarHBondContact O-CD1 3.42Å; C300-I304 WeakPolarHBondContact O-CG1 3.46Å; C300-I304 PolarHBondContact O-N 3.49Å; V301-I304 PolarHBondContact O-N 2.7Å; I304-R308 WeakPolarHBondContact O-CB 3.29Å; I304-R308 PolarHBondContact O-N 2.95Å; I304-Y352 HydrophobicContact CG2-CD2 4.33Å; I304-Y352 HydrophobicContact CG2-CE2 3.63Å; I304-L355 HydrophobicContact CG1-CB 3.69Å; I304-Q356 VanDerWaalsContact CD1-OE1 3.26Å; I304-K359 HydrophobicContact CD1-CB 3.72Å; I304-K359 HydrophobicContact CD1-CD 3.7Å; I304-K359 HydrophobicContact CD1-CG 4.15Å
305T90.4Very high87.8Confident61 Ų6145.6 Ų45.637%0.37423%0.232SC..Hα-helixtrans-63.4-43.7177.548.40000111.6V301 E302 A303 R308 D309V301-T305 WeakPolarHBondContact O-CG2 3.24Å; V301-T305 PolarHBondContact O-N 2.65Å; V301-T305 PolarHBondContact O-OG1 3.16Å; E302-T305 WeakPolarHBondContact CA-OG1 3.4Å; E302-T305 PolarHBondContact O-OG1 3.39Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 2.99Å; T305-R308 PolarHBondContact O-N 3.22Å; T305-D309 PolarHBondContact O-N 3.04Å
306S88.7Confident87.5Confident25 Ų2547.9 Ų47.918%0.17525%0.253CS..Hα-helixtrans-58.8-51.7175.6-161.80000112.5S263 E302 A303 R308 D309 E310S263-S306 PolarHBondContact OG-OG 3.3Å; E302-S306 PolarHBondContact O-N 2.97Å; E302-S306 VanDerWaalsContact O-N 3.16Å; A303-S306 WeakPolarHBondContact O-CB 3.4Å; A303-S306 PolarHBondContact O-N 3.09Å; S306-R308 VanDerWaalsContact C-N 3.31Å; S306-R308 PolarHBondContact O-N 3.39Å; S306-D309 PolarHBondContact O-N 3.4Å; S306-E310 WeakPolarHBondContact O-CG 3.16Å; S306-E310 PolarHBondContact O-N 3.41Å
307V88.6Confident86.7Confident0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-67-34.7-179.1175.50000111.1A266 A303 D309 E310 L311 L348 L351 L355A266-V307 HydrophobicContact CB-CG2 4.2Å; A303-V307 WeakPolarHBondContact O-CG2 3.47Å; A303-V307 PolarHBondContact O-N 2.73Å; V307-D309 VanDerWaalsContact C-N 3.35Å; V307-E310 PolarHBondContact O-N 3.43Å; V307-L311 VanDerWaalsContact O-CB 3.29Å; V307-L311 WeakPolarHBondContact O-CB 3.43Å; V307-L311 PolarHBondContact O-N 2.95Å; V307-L348 HydrophobicContact CG1-CD2 4.49Å; V307-L351 HydrophobicContact CG1-CD2 4.29Å; V307-L351 HydrophobicContact CG1-CG 4.34Å; V307-L351 HydrophobicContact CG2-CD2 3.93Å; V307-L351 HydrophobicContact CG2-CG 4.33Å; V307-L355 HydrophobicContact CB-CD1 4.25Å; V307-L355 HydrophobicContact CG2-CD1 3.7Å
308R88.8Confident85.4Confident105 Ų10552.9 Ų52.940%0.39629%0.285SS..Hα-helixtrans-62.5-41.1173.7176.7-177.8-85.9-173.3-7111.9I304 T305 S306 L311 R312 Y352I304-R308 WeakPolarHBondContact O-CB 3.29Å; I304-R308 PolarHBondContact O-N 2.95Å; T305-R308 PolarHBondContact O-N 3.22Å; S306-R308 VanDerWaalsContact C-N 3.31Å; S306-R308 PolarHBondContact O-N 3.39Å; R308-L311 PolarHBondContact O-N 3.19Å; R308-R312 WeakPolarHBondContact O-CB 3.27Å; R308-R312 PolarHBondContact O-N 3.41Å; R308-Y352 HydrophobicContact CB-CD2 4.39Å; R308-Y352 HydrophobicContact CB-CE2 4.03Å; R308-Y352 PolarHBondContact NH2-OH 3.13Å
309D86.9Confident83.7Confident79 Ų7952.8 Ų52.842%0.42230%0.297SS..Hα-helixtrans-72.5-37.2178.1-70.1-28000111.5T305 S306 V307 R312 T313T305-D309 PolarHBondContact O-N 3.04Å; S306-D309 PolarHBondContact O-N 3.4Å; V307-D309 VanDerWaalsContact C-N 3.35Å; D309-R312 PolarHBondContact O-N 3.16Å; D309-R312 IonicContact OD1-CZ 3.64Å; D309-R312 IonicContact OD1-NH1 3.92Å; D309-R312 PolarHBondContact OD1-NH1 3.41Å; D309-T313 WeakPolarHBondContact O-CG2 3.42Å; D309-T313 PolarHBondContact O-N 3.35Å; D309-T313 PolarHBondContact O-OG1 3.45Å
310E85.4Confident82.1Confident59 Ų5956 Ų5628%0.27632%0.322SS..Hα-helixtrans-60.8-42.4169.5-72.5174.3-141.200111.9S263 S306 V307 T313 A314 L348S263-E310 VanDerWaalsContact CB-OE1 3.23Å; S263-E310 WeakPolarHBondContact CB-OE1 3.36Å; S263-E310 PolarHBondContact OG-OE1 3.02Å; S306-E310 WeakPolarHBondContact O-CG 3.16Å; S306-E310 PolarHBondContact O-N 3.41Å; V307-E310 PolarHBondContact O-N 3.43Å; E310-T313 WeakPolarHBondContact CA-OG1 3.47Å; E310-T313 PolarHBondContact O-N 3.01Å; E310-T313 PolarHBondContact O-OG1 3.21Å; E310-A314 WeakPolarHBondContact O-CB 3.23Å; E310-A314 PolarHBondContact O-N 2.86Å; E310-L348 HydrophobicContact CB-CD1 4.48Å
311L85.4Confident80.1Confident3 Ų359.1 Ų59.12%0.01634%0.341CS..Hα-helixtrans-65.1-42.7176.4-176.962.8000111.3V307 R308 T313 A314 I315 V331 V345 L348V307-L311 VanDerWaalsContact O-CB 3.29Å; V307-L311 WeakPolarHBondContact O-CB 3.43Å; V307-L311 PolarHBondContact O-N 2.95Å; R308-L311 PolarHBondContact O-N 3.19Å; L311-T313 VanDerWaalsContact C-N 3.34Å; L311-T313 PolarHBondContact O-N 3.12Å; L311-A314 PolarHBondContact O-N 3.25Å; L311-I315 HydrophobicContact CD1-CD1 4.1Å; L311-I315 HydrophobicContact CD1-CG1 4.45Å; L311-I315 HydrophobicContact CG-CD1 3.95Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.07Å; L311-V331 HydrophobicContact CD2-CG1 3.87Å; L311-V345 HydrophobicContact CD1-CG1 3.91Å; L311-L348 HydrophobicContact CD1-CB 3.95Å
312R86.7Confident77.7Confident126 Ų12662 Ų6248%0.47536%0.359SS..Hα-helixtrans-62.5-41177.2-170.2-176-64.1137.33.8111.8R308 D309 A316R308-R312 WeakPolarHBondContact O-CB 3.27Å; R308-R312 PolarHBondContact O-N 3.41Å; D309-R312 PolarHBondContact O-N 3.16Å; D309-R312 IonicContact OD1-CZ 3.64Å; D309-R312 IonicContact OD1-NH1 3.92Å; D309-R312 PolarHBondContact OD1-NH1 3.41Å; R312-A316 WeakPolarHBondContact O-CB 3.48Å; R312-A316 PolarHBondContact O-N 3.1Å
313T84.1Confident75.6Confident93 Ų9361.5 Ų61.557%0.57137%0.373SS*.Hα-helixtrans-70.5-39.1177.450.20000112.2D309 E310 L311 A316 S317D309-T313 WeakPolarHBondContact O-CG2 3.42Å; D309-T313 PolarHBondContact O-N 3.35Å; D309-T313 PolarHBondContact O-OG1 3.45Å; E310-T313 WeakPolarHBondContact CA-OG1 3.47Å; E310-T313 PolarHBondContact O-N 3.01Å; E310-T313 PolarHBondContact O-OG1 3.21Å; L311-T313 VanDerWaalsContact C-N 3.34Å; L311-T313 PolarHBondContact O-N 3.12Å; T313-A316 PolarHBondContact O-N 3.43Å; T313-S317 WeakPolarHBondContact O-CB 3.37Å; T313-S317 PolarHBondContact O-N 3.46Å; T313-S317 PolarHBondContact O-OG 3.37Å
314A81.3Confident73.2Confident20 Ų2067.9 Ų67.917%0.16541%0.408CS..Hα-helixtrans-61.1-46.7174.500000111.9E310 L311 S317 E318 V345 L348E310-A314 WeakPolarHBondContact O-CB 3.23Å; E310-A314 PolarHBondContact O-N 2.86Å; L311-A314 PolarHBondContact O-N 3.25Å; A314-S317 PolarHBondContact O-N 3.08Å; A314-S317 PolarHBondContact O-OG 3.48Å; A314-E318 PolarHBondContact O-N 3.06Å; A314-V345 HydrophobicContact CB-CG2 4.19Å; A314-L348 HydrophobicContact CB-CD1 4.09Å
315I81.8Confident71Confident20 Ų2077.2 Ų77.210%0.10345%0.448CS..Hα-helixtrans-64-42.2177-66.5165000111.1L311 S317 E318 V331 V345L311-I315 HydrophobicContact CD1-CD1 4.1Å; L311-I315 HydrophobicContact CD1-CG1 4.45Å; L311-I315 HydrophobicContact CG-CD1 3.95Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.48Å; L311-I315 PolarHBondContact O-N 3.07Å; I315-S317 PolarHBondContact O-N 3.34Å; I315-E318 PolarHBondContact O-N 2.96Å; I315-E318 VanDerWaalsContact O-N 3.14Å; I315-V331 HydrophobicContact CD1-CG2 3.73Å; I315-V345 HydrophobicContact CG1-CG1 4.13Å
316A80.2Confident68.6Low84 Ų8479.9 Ų79.969%0.69446%0.46SS*.Hα-helixtrans-65.5-24.2177.500000113.3R312 T313R312-A316 WeakPolarHBondContact O-CB 3.48Å; R312-A316 PolarHBondContact O-N 3.1Å; T313-A316 PolarHBondContact O-N 3.43Å
317S71.7Confident66.5Low91 Ų9182.2 Ų82.264%0.63647%0.473SS*.THydrogen-bonded Turntrans-82.8-9.5175.8720000114.1T313 A314 I315T313-S317 WeakPolarHBondContact O-CB 3.37Å; T313-S317 PolarHBondContact O-N 3.46Å; T313-S317 PolarHBondContact O-OG 3.37Å; A314-S317 PolarHBondContact O-N 3.08Å; A314-S317 PolarHBondContact O-OG 3.48Å; I315-S317 PolarHBondContact O-N 3.34Å
318E63.4Low64.4Low39 Ų3986.2 Ų86.218%0.18251%0.506CS..  trans-78.3123.6176.4-74.5-170.5159.700110.9A314 I315 S320 S342 V345A314-E318 PolarHBondContact O-N 3.06Å; I315-E318 PolarHBondContact O-N 2.96Å; I315-E318 VanDerWaalsContact O-N 3.14Å; E318-S320 PolarHBondContact O-N 3.13Å; E318-S320 VanDerWaalsContact O-N 3.12Å; E318-S342 WeakPolarHBondContact OE1-CB 3.46Å; E318-S342 PolarHBondContact OE1-N 2.88Å; E318-V345 WeakPolarHBondContact OE1-CG2 3.48Å
319P54.5Low62.1Low119 Ų11983.6 Ų83.677%0.77351%0.507SS*.THydrogen-bonded Turntrans-69.3-7.5-175.824.5-31.6000114.6
320S54.7Low60.1Low100 Ų10083 Ų8370%0.69951%0.506SS*.THydrogen-bonded Turntrans-91.7-4.1-177.3570000115.3E318E318-S320 PolarHBondContact O-N 3.13Å; E318-S320 VanDerWaalsContact O-N 3.12Å
321V47.7Very low58.2Low66 Ų6681.5 Ų81.540%0.450%0.501SS..  trans-113.445.8177-163.10000110.7G323V321-G323 PolarHBondContact O-N 3.31Å
322T41.5Very low56.3Low129 Ų12985.6 Ų85.679%0.79154%0.535SS*.  trans-88.581.2162.755.40000108.6
323G44.9Very low54.1Low62 Ų6283.8 Ų83.864%0.63954%0.542SS*.SBendtrans-168.1-58.2178.300000115.3V321V321-G323 PolarHBondContact O-N 3.31Å
324D39.1Very low52Low135 Ų13580.8 Ų80.872%0.72252%0.524SS*.  trans-111.6118.6-165.7-68-28000112.9N326D324-N326 PolarHBondContact O-N 2.73Å
325K44.8Very low50Low206 Ų20687.8 Ų87.890%0.89655%0.551SS**SBendtrans-63.215179.5-72.8180175.7175.80115.1
326N39.7Very low47.9Very low117 Ų11791.1 Ų91.163%0.62657%0.565SS**  trans-11039.9179.4-78.3-8.5000112.9D324 A328 A329 V330D324-N326 PolarHBondContact O-N 2.73Å; N326-A328 PolarHBondContact O-N 3.18Å; N326-A328 VanDerWaalsContact O-N 3.08Å; N326-A329 HydrophobicContact CB-CB 4.47Å; N326-A329 PolarHBondContact O-N 3.27Å; N326-V330 PolarHBondContact O-N 3.04Å
327T46.2Very low46Very low74 Ų7490.8 Ų90.845%0.45457%0.569SS.*Hα-helixtrans-53.5-29175.653.20000113.3V331T327-V331 WeakPolarHBondContact O-CG2 3.35Å; T327-V331 PolarHBondContact O-N 3.49Å
328A43.3Very low44.4Very low83 Ų8394.3 Ų94.369%0.68658%0.576SS**Hα-helixtrans-68.2-34.1176.400000113.9N326N326-A328 PolarHBondContact O-N 3.18Å; N326-A328 VanDerWaalsContact O-N 3.08Å
329A41.2Very low43.2Very low50 Ų5097.7 Ų97.741%0.41360%0.599SS.*Hα-helixtrans-81.1-30.1-179.800000112.3N326 V331 A332 S333N326-A329 HydrophobicContact CB-CB 4.47Å; N326-A329 PolarHBondContact O-N 3.27Å; A329-V331 VanDerWaalsContact C-N 3.34Å; A329-V331 PolarHBondContact O-N 3.27Å; A329-A332 PolarHBondContact O-N 3.4Å; A329-S333 VanDerWaalsContact O-CB 3.28Å; A329-S333 WeakPolarHBondContact O-CB 3.17Å; A329-S333 PolarHBondContact O-N 2.73Å; A329-S333 PolarHBondContact O-OG 3.41Å
330V44.3Very low42.4Very low67 Ų67101.1 Ų101.141%0.40661%0.61SS.*Hα-helixtrans-66-35.4177178.60000111.6N326 A332 S333 S334N326-V330 PolarHBondContact O-N 3.04Å; V330-A332 VanDerWaalsContact C-N 3.31Å; V330-A332 PolarHBondContact O-N 3.44Å; V330-S333 PolarHBondContact O-N 3.49Å; V330-S334 VanDerWaalsContact O-CB 3.24Å; V330-S334 WeakPolarHBondContact O-CB 3.48Å; V330-S334 PolarHBondContact O-N 3.12Å; V330-S334 PolarHBondContact O-OG 3.17Å
331V46.9Very low42.2Very low28 Ų2897.6 Ų97.617%0.1759%0.59CS.*Hα-helixtrans-64.3-34.7176.2176.30000112.2L311 I315 T327 A329L311-V331 HydrophobicContact CD2-CG1 3.87Å; I315-V331 HydrophobicContact CD1-CG2 3.73Å; T327-V331 WeakPolarHBondContact O-CG2 3.35Å; T327-V331 PolarHBondContact O-N 3.49Å; A329-V331 VanDerWaalsContact C-N 3.34Å; A329-V331 PolarHBondContact O-N 3.27Å
332A44.6Very low42.9Very low89 Ų8997.2 Ų97.274%0.73659%0.59SS**Hα-helixtrans-88.2-25.1-179.400000113.6A329 V330A329-A332 PolarHBondContact O-N 3.4Å; V330-A332 VanDerWaalsContact C-N 3.31Å; V330-A332 PolarHBondContact O-N 3.44Å
333S39.4Very low44.5Very low88 Ų8898.4 Ų98.462%0.61559%0.586SS**Hα-helixtrans-114.8-3.5-168.1-41.20000114.4A329 V330 K335A329-S333 VanDerWaalsContact O-CB 3.28Å; A329-S333 WeakPolarHBondContact O-CB 3.17Å; A329-S333 PolarHBondContact O-N 2.73Å; A329-S333 PolarHBondContact O-OG 3.41Å; V330-S333 PolarHBondContact O-N 3.49Å; S333-K335 PolarHBondContact O-N 3.3Å
334S41.1Very low45.9Very low29 Ų29101.8 Ų101.820%0.20358%0.583CS.*  trans-69.197.6175.352.70000109.4V330 F336 Q349V330-S334 VanDerWaalsContact O-CB 3.24Å; V330-S334 WeakPolarHBondContact O-CB 3.48Å; V330-S334 PolarHBondContact O-N 3.12Å; V330-S334 PolarHBondContact O-OG 3.17Å; S334-F336 PolarHBondContact O-N 3.32Å; S334-Q349 PolarHBondContact O-NE2 3.36Å; S334-Q349 PolarHBondContact OG-NE2 2.97Å
335K39.2Very low47.9Very low167 Ų16796.1 Ų96.173%0.72655%0.553SS**  trans-49.9124.4166.5-68.2179.3178.8178.20108.1S333 G337 Q338S333-K335 PolarHBondContact O-N 3.3Å; K335-G337 PolarHBondContact O-N 3.23Å; K335-Q338 PolarHBondContact O-N 3.46Å
336F37.6Very low49.6Very low91 Ų9188.6 Ų88.640%0.39953%0.527SS..THydrogen-bonded Turntrans-47116169.7-171.9-102.1000108.4S334S334-F336 PolarHBondContact O-N 3.32Å
337G40.3Very low51.7Low76 Ų7687.4 Ų87.478%0.78451%0.514SS*.THydrogen-bonded Turntrans106.3-3.6169.900000119.1K335K335-G337 PolarHBondContact O-N 3.23Å
338Q38.9Very low53.5Low166 Ų16685.3 Ų85.378%0.77650%0.5SS*.SBendtrans-111.9-1.4-178.1-126.8172.831.500117.4K335K335-Q338 PolarHBondContact O-N 3.46Å
339T37.4Very low55.6Low109 Ų10982.5 Ų82.567%0.66947%0.472SS*.SBendtrans-119.1126.9162.852.70000107.7G341T339-G341 PolarHBondContact O-N 2.96Å
340L37.4Very low57.8Low192 Ų19281.1 Ų81.1100%1.00546%0.458SS*.  trans-64.253.4174.9-145.486.5000110.7
341G50.1Low59.8Low26 Ų2678.1 Ų78.127%0.26844%0.44SS..  trans-72.9146.6175.600000109.2T339T339-G341 PolarHBondContact O-N 2.96Å
342S63.8Low61.9Low57 Ų5778.2 Ų78.240%0.39944%0.437SS..  trans-48.4144179.4-179.30000111.2E318 K344 V345 S346E318-S342 WeakPolarHBondContact OE1-CB 3.46Å; E318-S342 PolarHBondContact OE1-N 2.88Å; S342-K344 CarbonylContact O-C 3.51Å; S342-K344 PolarHBondContact O-N 3.2Å; S342-K344 PolarHBondContact OG-N 2.82Å; S342-V345 PolarHBondContact O-N 3.37Å; S342-S346 PolarHBondContact O-N 2.75Å
343E73.9Confident64Low155 Ų15574.2 Ų74.272%0.72440%0.403SS*.Hα-helixtrans-47.4-23.7171.6-66.3176.3174.900113.1R347E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.47Å; E343-R347 PolarHBondContact O-N 2.94Å; E343-R347 PolarHBondContact O-NE 3.29Å
344K73.8Confident66.4Low133 Ų13371.3 Ų71.358%0.57838%0.379SS*.Hα-helixtrans-67.2-45.7172.4-66.5-178.5-178.5176.70112.9S342 R347 L348S342-K344 CarbonylContact O-C 3.51Å; S342-K344 PolarHBondContact O-N 3.2Å; S342-K344 PolarHBondContact OG-N 2.82Å; K344-R347 PolarHBondContact O-N 3.46Å; K344-L348 WeakPolarHBondContact O-CG 3.45Å; K344-L348 PolarHBondContact O-N 3.21Å
345V81.4Confident68.8Low15 Ų1569.9 Ų69.99%0.09137%0.369CS..Hα-helixtrans-66-45.5179.71780000110.2L311 A314 I315 E318 S342 R347 L348 Q349L311-V345 HydrophobicContact CD1-CG1 3.91Å; A314-V345 HydrophobicContact CB-CG2 4.19Å; I315-V345 HydrophobicContact CG1-CG1 4.13Å; E318-V345 WeakPolarHBondContact OE1-CG2 3.48Å; S342-V345 PolarHBondContact O-N 3.37Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.01Å; V345-L348 PolarHBondContact O-N 3.21Å; V345-Q349 WeakPolarHBondContact O-CB 3.32Å; V345-Q349 PolarHBondContact O-N 3.42Å
346S81.9Confident71.3Confident48 Ų4863.7 Ų63.734%0.33634%0.343SS..Hα-helixtrans-59.6-42177.1-172.30000112.4S342 Q349 L350S342-S346 PolarHBondContact O-N 2.75Å; S346-Q349 PolarHBondContact O-N 3.46Å; S346-L350 PolarHBondContact O-N 2.9Å
347R82.7Confident73.9Confident92 Ų9259.9 Ų59.935%0.34733%0.326SS..Hα-helixtrans-65.9-43176.5-77.8-177.4-66.5-178.6-9.9112.8E343 K344 V345 Q349 L350 L351E343-R347 WeakPolarHBondContact O-CB 3.3Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.47Å; E343-R347 PolarHBondContact O-N 2.94Å; E343-R347 PolarHBondContact O-NE 3.29Å; K344-R347 PolarHBondContact O-N 3.46Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.01Å; R347-Q349 VanDerWaalsContact C-N 3.32Å; R347-Q349 PolarHBondContact O-N 2.94Å; R347-L350 PolarHBondContact O-N 2.98Å; R347-L351 PolarHBondContact O-N 3.47Å
348L84.7Confident76.3Confident31 Ų3156.8 Ų56.816%0.16229%0.291CS..Hα-helixtrans-65.5-36.3176.8-74173.9000111.8V307 E310 L311 A314 K344 V345 L351 Y352V307-L348 HydrophobicContact CG1-CD2 4.49Å; E310-L348 HydrophobicContact CB-CD1 4.48Å; L311-L348 HydrophobicContact CD1-CB 3.95Å; A314-L348 HydrophobicContact CB-CD1 4.09Å; K344-L348 WeakPolarHBondContact O-CG 3.45Å; K344-L348 PolarHBondContact O-N 3.21Å; V345-L348 PolarHBondContact O-N 3.21Å; L348-L351 PolarHBondContact O-N 3.37Å; L348-Y352 VanDerWaalsContact O-CB 3.29Å; L348-Y352 WeakPolarHBondContact O-CB 3.13Å; L348-Y352 PolarHBondContact O-N 3.32Å
349Q87Confident79Confident24 Ų2451.9 Ų51.911%0.11227%0.268CS..Hα-helixtrans-66.6-40.7175.3-171.8172.7-0.300111.8S334 V345 S346 R347 Y352 T353S334-Q349 PolarHBondContact O-NE2 3.36Å; S334-Q349 PolarHBondContact OG-NE2 2.97Å; V345-Q349 WeakPolarHBondContact O-CB 3.32Å; V345-Q349 PolarHBondContact O-N 3.42Å; S346-Q349 PolarHBondContact O-N 3.46Å; R347-Q349 VanDerWaalsContact C-N 3.32Å; R347-Q349 PolarHBondContact O-N 2.94Å; Q349-Y352 WeakPolarHBondContact O-CB 3.25Å; Q349-Y352 PolarHBondContact O-N 3.45Å; Q349-T353 PolarHBondContact O-N 3.07Å; Q349-T353 PolarHBondContact O-OG1 3.22Å; Q349-T353 VanDerWaalsContact O-OG1 3.05Å
350L87.3Confident81.7Confident21 Ų2146.9 Ų46.911%0.1124%0.237CC..Hα-helixtrans-64.4-45174.7-17663000111.9W254 I257 I259 S346 R347 Y352 T353 Y354W254-L350 HydrophobicContact CE3-CD1 4.23Å; W254-L350 HydrophobicContact CZ3-CD1 3.98Å; I257-L350 HydrophobicContact CG2-CD2 3.74Å; I259-L350 HydrophobicContact CD1-CD2 4.06Å; I259-L350 HydrophobicContact CD1-CG 3.78Å; I259-L350 HydrophobicContact CG1-CD2 3.76Å; I259-L350 HydrophobicContact CG1-CG 4.04Å; S346-L350 PolarHBondContact O-N 2.9Å; R347-L350 PolarHBondContact O-N 2.98Å; L350-Y352 VanDerWaalsContact C-N 3.32Å; L350-Y352 PolarHBondContact O-N 3.01Å; L350-T353 PolarHBondContact O-N 2.94Å; L350-Y354 PolarHBondContact O-N 3.14Å
351L86.9Confident84.3Confident4 Ų438.2 Ų38.22%0.02119%0.192CC..Hα-helixtrans-59.9-42.4174179.261.1000111.7I259 V261 A266 V307 R347 L348 Y354 L355I259-L351 HydrophobicContact CG2-CB 4Å; I259-L351 HydrophobicContact CG2-CD1 4.14Å; V261-L351 HydrophobicContact CG1-CD1 4.42Å; V261-L351 HydrophobicContact CG1-CD2 4.32Å; V261-L351 HydrophobicContact CG2-CD1 4.02Å; A266-L351 HydrophobicContact CB-CD2 4.42Å; V307-L351 HydrophobicContact CG1-CD2 4.29Å; V307-L351 HydrophobicContact CG1-CG 4.34Å; V307-L351 HydrophobicContact CG2-CD2 3.93Å; V307-L351 HydrophobicContact CG2-CG 4.33Å; R347-L351 PolarHBondContact O-N 3.47Å; L348-L351 PolarHBondContact O-N 3.37Å; L351-Y354 PolarHBondContact O-N 3.44Å; L351-L355 HydrophobicContact CD1-CD1 4.42Å; L351-L355 HydrophobicContact CD1-CG 4.32Å; L351-L355 HydrophobicContact CG-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CG 3.3Å; L351-L355 PolarHBondContact O-N 2.78Å
352Y90Very high86.4Confident29 Ų2938.4 Ų38.411%0.11419%0.185CC..Hα-helixtrans-59.8-46.9176.3177.7-101.5000111.6I304 R308 L348 Q349 L350 L355 Q356I304-Y352 HydrophobicContact CG2-CD2 4.33Å; I304-Y352 HydrophobicContact CG2-CE2 3.63Å; R308-Y352 HydrophobicContact CB-CD2 4.39Å; R308-Y352 HydrophobicContact CB-CE2 4.03Å; R308-Y352 PolarHBondContact NH2-OH 3.13Å; L348-Y352 VanDerWaalsContact O-CB 3.29Å; L348-Y352 WeakPolarHBondContact O-CB 3.13Å; L348-Y352 PolarHBondContact O-N 3.32Å; Q349-Y352 WeakPolarHBondContact O-CB 3.25Å; Q349-Y352 PolarHBondContact O-N 3.45Å; L350-Y352 VanDerWaalsContact C-N 3.32Å; L350-Y352 PolarHBondContact O-N 3.01Å; Y352-L355 PolarHBondContact O-N 2.74Å; Y352-Q356 HydrophobicContact CD1-CG 4.25Å; Y352-Q356 HydrophobicContact CE1-CG 3.89Å; Y352-Q356 HydrophobicContact CE2-CG 4.23Å; Y352-Q356 WeakPolarHBondContact O-CB 3.43Å; Y352-Q356 WeakPolarHBondContact O-CG 3.44Å; Y352-Q356 PolarHBondContact O-N 2.94Å; Y352-Q356 PolarHBondContact OH-NE2 2.85Å
353T89.3Confident87.9Confident5 Ų536.5 Ų36.53%0.03117%0.172CC..Hα-helixtrans-62.5-42.6176.8-59.50000111.9W254 Q349 L350 Q356 Y357 L416 P417W254-T353 HydrophobicContact CH2-CG2 3.95Å; W254-T353 HydrophobicContact CZ3-CG2 4.28Å; Q349-T353 PolarHBondContact O-N 3.07Å; Q349-T353 PolarHBondContact O-OG1 3.22Å; Q349-T353 VanDerWaalsContact O-OG1 3.05Å; L350-T353 PolarHBondContact O-N 2.94Å; T353-Q356 WeakPolarHBondContact O-CB 3.3Å; T353-Q356 PolarHBondContact O-N 3.42Å; T353-Y357 WeakPolarHBondContact O-CB 3.5Å; T353-Y357 PolarHBondContact O-N 2.81Å; T353-L416 HydrophobicContact CG2-CB 4.05Å; T353-L416 HydrophobicContact CG2-CD1 4.47Å; T353-L416 HydrophobicContact CG2-CD2 4.42Å; T353-P417 WeakPolarHBondContact CG2-O 3.04Å
354Y90.1Very high89Confident27 Ų2729.1 Ų29.111%0.10614%0.137CC..Hα-helixtrans-61.5-44.8175.8171.6-109.4000112.2V252 W254 I259 I270 L350 L351 Q356 Y357 L358V252-Y354 HydrophobicContact CG1-CE1 3.83Å; V252-Y354 HydrophobicContact CG1-CE2 4.3Å; V252-Y354 WeakPolarHBondContact CG1-OH 3.5Å; W254-Y354 HydrophobicContact CB-CD2 3.75Å; W254-Y354 HydrophobicContact CB-CE2 3.97Å; W254-Y354 AromaticContact CD1-CD2 3.6Å; W254-Y354 AromaticContact CD1-CE2 3.69Å; W254-Y354 AromaticContact CD2-CD2 3.6Å; W254-Y354 HydrophobicContact CD2-CD2 3.6Å; W254-Y354 HydrophobicContact CD2-CE2 4.44Å; W254-Y354 HydrophobicContact CD2-CG 4.39Å; W254-Y354 AromaticContact CE2-CD2 3.95Å; W254-Y354 HydrophobicContact CE3-CD2 4.21Å; W254-Y354 AromaticContact CG-CD2 3.37Å; W254-Y354 HydrophobicContact CG-CD2 3.37Å; W254-Y354 AromaticContact CG-CE2 3.78Å; W254-Y354 HydrophobicContact CG-CE2 3.78Å; W254-Y354 HydrophobicContact CG-CG 4.38Å; W254-Y354 AromaticContact NE1-CD2 3.93Å; I259-Y354 HydrophobicContact CD1-CG 4.23Å; I270-Y354 HydrophobicContact CD1-CE1 4.17Å; I270-Y354 HydrophobicContact CG1-CE1 4.07Å; L350-Y354 PolarHBondContact O-N 3.14Å; L351-Y354 PolarHBondContact O-N 3.44Å; Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.06Å; Y354-Y357 WeakPolarHBondContact O-CB 3.47Å; Y354-Y357 PolarHBondContact O-N 3.36Å; Y354-L358 WeakPolarHBondContact O-CB 3.34Å; Y354-L358 PolarHBondContact O-N 3.13Å
355L90.3Very high89.9Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-65-36.4176.4-69.9174.1000112.1A266 I270 A303 I304 V307 L351 Y352 L358 K359A266-L355 HydrophobicContact CB-CD1 4.1Å; I270-L355 HydrophobicContact CG1-CD2 4.45Å; A303-L355 HydrophobicContact CB-CD1 4.08Å; A303-L355 HydrophobicContact CB-CD2 4.31Å; I304-L355 HydrophobicContact CG1-CB 3.69Å; V307-L355 HydrophobicContact CB-CD1 4.25Å; V307-L355 HydrophobicContact CG2-CD1 3.7Å; L351-L355 HydrophobicContact CD1-CD1 4.42Å; L351-L355 HydrophobicContact CD1-CG 4.32Å; L351-L355 HydrophobicContact CG-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CG 3.3Å; L351-L355 PolarHBondContact O-N 2.78Å; Y352-L355 PolarHBondContact O-N 2.74Å; L355-L358 HydrophobicContact CD2-CD2 4.43Å; L355-L358 PolarHBondContact O-N 3.11Å; L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 PolarHBondContact O-N 3.35Å
356Q92.2Very high90.5Very high37 Ų3726.4 Ų26.417%0.17312%0.123CC..Hα-helixtrans-64.3-43.1173.4-70.4-81.88000111.2I304 Y352 T353 Y354 K359 L360 L416I304-Q356 VanDerWaalsContact CD1-OE1 3.26Å; Y352-Q356 HydrophobicContact CD1-CG 4.25Å; Y352-Q356 HydrophobicContact CE1-CG 3.89Å; Y352-Q356 HydrophobicContact CE2-CG 4.23Å; Y352-Q356 WeakPolarHBondContact O-CB 3.43Å; Y352-Q356 WeakPolarHBondContact O-CG 3.44Å; Y352-Q356 PolarHBondContact O-N 2.94Å; Y352-Q356 PolarHBondContact OH-NE2 2.85Å; T353-Q356 WeakPolarHBondContact O-CB 3.3Å; T353-Q356 PolarHBondContact O-N 3.42Å; Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.06Å; Q356-K359 PolarHBondContact O-N 3.43Å; Q356-L360 WeakPolarHBondContact O-CB 3.24Å; Q356-L360 VanDerWaalsContact O-CG 3.3Å; Q356-L360 WeakPolarHBondContact O-CG 3.35Å; Q356-L360 PolarHBondContact O-N 2.78Å; Q356-L416 HydrophobicContact CB-CD2 4.07Å
357Y92.1Very high91.2Very high11 Ų1124.2 Ų24.24%0.04311%0.108CC..Hα-helixtrans-58.1-49172.3175.9-98000111.5W254 T353 Y354 K359 L360 S361 I413 L416 I490W254-Y357 HydrophobicContact CZ2-CD1 4.34Å; W254-Y357 HydrophobicContact CZ2-CD2 4.34Å; W254-Y357 AromaticContact CZ2-CG 3.96Å; W254-Y357 HydrophobicContact CZ2-CG 3.96Å; W254-Y357 AromaticContact NE1-CD1 3.75Å; W254-Y357 AromaticContact NE1-CE1 4Å; T353-Y357 WeakPolarHBondContact O-CB 3.5Å; T353-Y357 PolarHBondContact O-N 2.81Å; Y354-Y357 WeakPolarHBondContact O-CB 3.47Å; Y354-Y357 PolarHBondContact O-N 3.36Å; Y357-K359 PolarHBondContact O-N 2.86Å; Y357-L360 PolarHBondContact O-N 3.34Å; Y357-L360 VanDerWaalsContact O-N 3.16Å; Y357-S361 VanDerWaalsContact O-CB 3.3Å; Y357-S361 WeakPolarHBondContact O-CB 3.24Å; Y357-S361 PolarHBondContact O-N 3.18Å; Y357-I413 HydrophobicContact CD2-CG1 4.49Å; Y357-I413 HydrophobicContact CD2-CG2 4.01Å; Y357-I413 HydrophobicContact CE2-CD1 4.39Å; Y357-I413 HydrophobicContact CE2-CG2 3.89Å; Y357-L416 HydrophobicContact CD2-CD1 4.28Å; Y357-I490 HydrophobicContact CE1-CG2 4.16Å; Y357-I490 WeakPolarHBondContact OH-CG2 3.24Å; Y357-I490 PolarHBondContact OH-O 2.89Å
358L91.3Very high91.8Very high10 Ų1021.7 Ų21.75%0.05210%0.101CC..Hα-helixtrans-57.9-48.1179.4-167.365.6000111.4V273 Y354 L355 L360 K362V273-L358 HydrophobicContact CB-CD1 4.38Å; V273-L358 HydrophobicContact CG1-CD1 3.95Å; V273-L358 HydrophobicContact CG2-CD1 4.07Å; V273-L358 HydrophobicContact CG2-CD2 3.82Å; V273-L358 HydrophobicContact CG2-CG 4.04Å; Y354-L358 WeakPolarHBondContact O-CB 3.34Å; Y354-L358 PolarHBondContact O-N 3.13Å; L355-L358 HydrophobicContact CD2-CD2 4.43Å; L355-L358 PolarHBondContact O-N 3.11Å; L358-L360 PolarHBondContact O-N 2.84Å; L358-K362 WeakPolarHBondContact O-CB 3.31Å; L358-K362 VanDerWaalsContact O-CG 3.22Å; L358-K362 WeakPolarHBondContact O-CG 3.41Å; L358-K362 PolarHBondContact O-N 3.35Å
359K94.6Very high92.2Very high64 Ų6421 Ų2128%0.27810%0.098SC..Hα-helixtrans-57.5-48.5174.8178.8-156.9163.2-156.50111.1L297 C300 V301 I304 L355 Q356 Y357 K362 T363L297-K359 HydrophobicContact CD2-CG 4.25Å; L297-K359 WeakPolarHBondContact CD2-O 3.32Å; C300-K359 HydrophobicContact CB-CB 4.21Å; V301-K359 HydrophobicContact CG2-CD 4.4Å; I304-K359 HydrophobicContact CD1-CB 3.72Å; I304-K359 HydrophobicContact CD1-CD 3.7Å; I304-K359 HydrophobicContact CD1-CG 4.15Å; L355-K359 WeakPolarHBondContact O-CB 3.22Å; L355-K359 PolarHBondContact O-N 3.35Å; Q356-K359 PolarHBondContact O-N 3.43Å; Y357-K359 PolarHBondContact O-N 2.86Å; K359-K362 PolarHBondContact O-N 3.47Å; K359-T363 WeakPolarHBondContact O-CB 3.26Å; K359-T363 PolarHBondContact O-N 3.31Å; K359-T363 PolarHBondContact O-OG1 3.13Å
360L94.5Very high92.5Very high4 Ų422.2 Ų22.22%0.02110%0.103CC..Hα-helixtrans-67.6-44.3-177.3-72.3167.8000112.2Q356 Y357 L358 K362 T363 I364 N409 E412 I413 L416Q356-L360 WeakPolarHBondContact O-CB 3.24Å; Q356-L360 VanDerWaalsContact O-CG 3.3Å; Q356-L360 WeakPolarHBondContact O-CG 3.35Å; Q356-L360 PolarHBondContact O-N 2.78Å; Y357-L360 PolarHBondContact O-N 3.34Å; Y357-L360 VanDerWaalsContact O-N 3.16Å; L358-L360 PolarHBondContact O-N 2.84Å; L360-K362 PolarHBondContact O-N 2.99Å; L360-T363 WeakPolarHBondContact O-CB 3.45Å; L360-T363 PolarHBondContact O-N 3.42Å; L360-T363 VanDerWaalsContact O-N 3.17Å; L360-I364 WeakPolarHBondContact O-CG1 3.39Å; L360-I364 PolarHBondContact O-N 3.1Å; L360-N409 HydrophobicContact CD2-CB 4.34Å; L360-E412 HydrophobicContact CD1-CB 3.8Å; L360-E412 HydrophobicContact CD2-CB 4.11Å; L360-E412 WeakPolarHBondContact CD2-OE2 3.23Å; L360-I413 HydrophobicContact CB-CD1 3.82Å; L360-I413 HydrophobicContact CB-CG1 3.55Å; L360-I413 HydrophobicContact CD1-CG1 3.76Å; L360-I413 HydrophobicContact CG-CG1 4.25Å; L360-L416 HydrophobicContact CD1-CD1 4.3Å
361S93.4Very high92.8Very high10 Ų1021.5 Ų21.57%0.0710%0.1CC..Hα-helixtrans-55.8-50.1173.9165.20000111Y357 T363 I364 D365Y357-S361 VanDerWaalsContact O-CB 3.3Å; Y357-S361 WeakPolarHBondContact O-CB 3.24Å; Y357-S361 PolarHBondContact O-N 3.18Å; S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 3.3Å; S361-I364 WeakPolarHBondContact O-CB 3.23Å; S361-I364 PolarHBondContact O-N 2.85Å; S361-D365 PolarHBondContact O-N 3.38Å
362K94Very high93Very high29 Ų2925.9 Ų25.913%0.12612%0.12CC..Hα-helixtrans-70-27.1178.6-61.4-65.9148.6-138.60113.1Y293 I296 L297 L358 K359 L360 D365 R366Y293-K362 HydrophobicContact CD1-CB 4.35Å; Y293-K362 HydrophobicContact CD1-CD 4.13Å; Y293-K362 HydrophobicContact CE1-CD 3.73Å; I296-K362 HydrophobicContact CG2-CB 4.42Å; I296-K362 HydrophobicContact CG2-CG 4.08Å; L297-K362 HydrophobicContact CD2-CB 3.85Å; L297-K362 HydrophobicContact CG-CB 4.45Å; L358-K362 WeakPolarHBondContact O-CB 3.31Å; L358-K362 VanDerWaalsContact O-CG 3.22Å; L358-K362 WeakPolarHBondContact O-CG 3.41Å; L358-K362 PolarHBondContact O-N 3.35Å; K359-K362 PolarHBondContact O-N 3.47Å; L360-K362 PolarHBondContact O-N 2.99Å; K362-D365 IonicContact NZ-OD2 3.71Å; K362-D365 PolarHBondContact NZ-OD2 3.16Å; K362-R366 WeakPolarHBondContact O-CB 3.45Å; K362-R366 PolarHBondContact O-N 2.91Å
363T95.3Very high93.1Very high18 Ų1826.5 Ų26.511%0.1113%0.127CC..Hα-helixtrans-68-41.2172-57.90000110.5L297 K359 L360 S361 R366 T367 N409L297-T363 WeakPolarHBondContact CD2-OG1 3.48Å; K359-T363 WeakPolarHBondContact O-CB 3.26Å; K359-T363 PolarHBondContact O-N 3.31Å; K359-T363 PolarHBondContact O-OG1 3.13Å; L360-T363 WeakPolarHBondContact O-CB 3.45Å; L360-T363 PolarHBondContact O-N 3.42Å; L360-T363 VanDerWaalsContact O-N 3.17Å; S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 3.3Å; T363-R366 PolarHBondContact O-N 2.86Å; T363-T367 WeakPolarHBondContact O-CB 3.29Å; T363-T367 PolarHBondContact O-N 3.19Å; T363-T367 PolarHBondContact O-OG1 3.09Å; T363-N409 WeakPolarHBondContact CG2-ND2 3.35Å
364I95.7Very high93.2Very high0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-61-50.8174.5-72.4162.7000110.5L360 S361 R366 T367 L368 L406 N409 F410 I413 P492L360-I364 WeakPolarHBondContact O-CG1 3.39Å; L360-I364 PolarHBondContact O-N 3.1Å; S361-I364 WeakPolarHBondContact O-CB 3.23Å; S361-I364 PolarHBondContact O-N 2.85Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.02Å; I364-T367 PolarHBondContact O-N 3.36Å; I364-T367 VanDerWaalsContact O-N 3.16Å; I364-L368 HydrophobicContact CG2-CD1 3.92Å; I364-L368 HydrophobicContact CG2-CG 4.45Å; I364-L368 WeakPolarHBondContact O-CG 3.4Å; I364-L368 PolarHBondContact O-N 3.23Å; I364-L406 HydrophobicContact CB-CD2 4.17Å; I364-L406 HydrophobicContact CG1-CD2 4.15Å; I364-L406 HydrophobicContact CG2-CD2 3.93Å; I364-N409 HydrophobicContact CD1-CB 4Å; I364-N409 HydrophobicContact CG1-CB 3.69Å; I364-F410 HydrophobicContact CD1-CD1 4.34Å; I364-F410 HydrophobicContact CD1-CD2 3.92Å; I364-F410 HydrophobicContact CD1-CE1 4.2Å; I364-F410 HydrophobicContact CD1-CE2 3.72Å; I364-F410 HydrophobicContact CD1-CG 4.2Å; I364-F410 HydrophobicContact CD1-CZ 3.88Å; I364-F410 HydrophobicContact CG1-CD2 4.41Å; I364-F410 HydrophobicContact CG1-CE2 4.11Å; I364-F410 HydrophobicContact CG2-CE2 3.87Å; I364-F410 HydrophobicContact CG2-CZ 4.04Å; I364-I413 HydrophobicContact CD1-CD1 3.47Å; I364-I413 VanDerWaalsContact CD1-CD1 3.47Å; I364-P492 HydrophobicContact CB-CB 4.33Å; I364-P492 HydrophobicContact CD1-CB 4.11Å; I364-P492 HydrophobicContact CD1-CG 3.69Å; I364-P492 HydrophobicContact CG2-CB 4.14Å
365D93.5Very high93.3Very high25 Ų2527.2 Ų27.213%0.13413%0.134CC..Hα-helixtrans-57.7-44.8179.5-61.4-23.9000111.2Y293 S361 K362 L368 L369 G493Y293-D365 HydrophobicContact CD1-CB 4.4Å; Y293-D365 HydrophobicContact CE1-CB 3.62Å; Y293-D365 HydrophobicContact CE2-CB 4.37Å; S361-D365 PolarHBondContact O-N 3.38Å; K362-D365 IonicContact NZ-OD2 3.71Å; K362-D365 PolarHBondContact NZ-OD2 3.16Å; D365-L368 PolarHBondContact O-N 2.68Å; D365-L369 PolarHBondContact O-N 2.81Å; D365-L369 VanDerWaalsContact O-N 3.08Å; D365-G493 PolarHBondContact OD1-N 3.22Å
366R94.8Very high93.3Very high65 Ų6530.2 Ų30.225%0.24516%0.155CC..Hα-helixtrans-63.2-44.8175.5-171.2-171.364.9120.12.3112.6L290 Y293 L297 K362 T363 I364 L368 L369 H370L290-R366 HydrophobicContact CD2-CG 4.01Å; Y293-R366 HydrophobicContact CG-CB 4.15Å; L297-R366 HydrophobicContact CD1-CB 4.4Å; K362-R366 WeakPolarHBondContact O-CB 3.45Å; K362-R366 PolarHBondContact O-N 2.91Å; T363-R366 PolarHBondContact O-N 2.86Å; I364-R366 VanDerWaalsContact C-N 3.31Å; I364-R366 PolarHBondContact O-N 3.02Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 2.66Å; R366-L369 PolarHBondContact O-N 2.79Å; R366-H370 PolarHBondContact NH1-NE2 3.15Å; R366-H370 PolarHBondContact O-CD2 3.45Å; R366-H370 PolarHBondContact O-N 3.12Å
367T95.3Very high93.2Very high3 Ų333.1 Ų33.12%0.01818%0.179CC..Hα-helixtrans-65.5-37.1-179.9-64.80000111.3T363 I364 H370 I371 L402 L406T363-T367 WeakPolarHBondContact O-CB 3.29Å; T363-T367 PolarHBondContact O-N 3.19Å; T363-T367 PolarHBondContact O-OG1 3.09Å; I364-T367 PolarHBondContact O-N 3.36Å; I364-T367 VanDerWaalsContact O-N 3.16Å; T367-H370 PolarHBondContact O-N 3.41Å; T367-I371 HydrophobicContact CG2-CD1 4.25Å; T367-I371 VanDerWaalsContact O-CG1 3.32Å; T367-I371 WeakPolarHBondContact O-CG1 3.44Å; T367-I371 PolarHBondContact O-N 3.23Å; T367-L402 HydrophobicContact CG2-CB 4.25Å; T367-L402 HydrophobicContact CG2-CD2 4.31Å; T367-L406 HydrophobicContact CG2-CD1 4.34Å; T367-L406 HydrophobicContact CG2-CD2 3.76Å; T367-L406 HydrophobicContact CG2-CG 3.69Å
368L95.3Very high93.1Very high38 Ų3833.8 Ų33.820%0.19918%0.183CC..Hα-helixtrans-62.2-43.1172.4-71.1169.7000111.7I364 D365 R366 H370 I371 E372 L406 Y437I364-L368 HydrophobicContact CG2-CD1 3.92Å; I364-L368 HydrophobicContact CG2-CG 4.45Å; I364-L368 WeakPolarHBondContact O-CG 3.4Å; I364-L368 PolarHBondContact O-N 3.23Å; D365-L368 PolarHBondContact O-N 2.68Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 2.66Å; L368-H370 PolarHBondContact O-N 2.65Å; L368-I371 WeakPolarHBondContact O-CB 3.38Å; L368-I371 PolarHBondContact O-N 3.33Å; L368-E372 PolarHBondContact O-N 3.15Å; L368-L406 HydrophobicContact CD2-CD1 3.63Å; L368-L406 HydrophobicContact CD2-CD2 4.46Å; L368-L406 HydrophobicContact CG-CD1 4.25Å; L368-L406 HydrophobicContact CG-CD2 4.21Å; L368-Y437 HydrophobicContact CD2-CE1 3.63Å
369L92.5Very high92.9Very high18 Ų1836.1 Ų36.19%0.09420%0.204CC..Hα-helixtrans-64.5-36.7174.3-76.6177.8000113.2L286 K289 L290 Y293 D365 R366 I371 E372 T373L286-L369 HydrophobicContact CD2-CD2 4.03Å; K289-L369 HydrophobicContact CB-CD1 3.68Å; K289-L369 HydrophobicContact CD-CD2 4.45Å; L290-L369 HydrophobicContact CD2-CB 3.7Å; L290-L369 HydrophobicContact CD2-CD1 4.48Å; L290-L369 HydrophobicContact CG-CB 4.44Å; Y293-L369 HydrophobicContact CD2-CD1 3.53Å; Y293-L369 HydrophobicContact CE2-CD1 3.32Å; Y293-L369 HydrophobicContact CE2-CG 4.49Å; D365-L369 PolarHBondContact O-N 2.81Å; D365-L369 VanDerWaalsContact O-N 3.08Å; R366-L369 PolarHBondContact O-N 2.79Å; L369-I371 VanDerWaalsContact C-N 3.33Å; L369-E372 PolarHBondContact O-N 3.5Å; L369-T373 WeakPolarHBondContact O-CB 3.45Å; L369-T373 PolarHBondContact O-N 3.04Å; L369-T373 PolarHBondContact O-OG1 3.28Å
370H93.4Very high92.4Very high48 Ų4840.5 Ų40.522%0.22223%0.225CC..Hα-helixtrans-61.7-43.9173-80.2-56.3000111.2R366 T367 L368 T373 T374R366-H370 PolarHBondContact NH1-NE2 3.15Å; R366-H370 PolarHBondContact O-CD2 3.45Å; R366-H370 PolarHBondContact O-N 3.12Å; T367-H370 PolarHBondContact O-N 3.41Å; L368-H370 PolarHBondContact O-N 2.65Å; H370-T373 PolarHBondContact O-N 3.12Å; H370-T374 WeakPolarHBondContact O-CB 3.46Å; H370-T374 PolarHBondContact O-N 2.9Å; H370-T374 PolarHBondContact O-OG1 2.9Å
371I94.2Very high91.7Very high7 Ų742.5 Ų42.54%0.03625%0.247CC..Hα-helixtrans-60.7-47.2175.7-68.1164000110.2T367 L368 L369 T373 T374 I375 L399 L402 Y403 L406T367-I371 HydrophobicContact CG2-CD1 4.25Å; T367-I371 VanDerWaalsContact O-CG1 3.32Å; T367-I371 WeakPolarHBondContact O-CG1 3.44Å; T367-I371 PolarHBondContact O-N 3.23Å; L368-I371 WeakPolarHBondContact O-CB 3.38Å; L368-I371 PolarHBondContact O-N 3.33Å; L369-I371 VanDerWaalsContact C-N 3.33Å; I371-T373 VanDerWaalsContact C-N 3.32Å; I371-T373 PolarHBondContact O-N 3.22Å; I371-T374 PolarHBondContact O-N 3.42Å; I371-I375 HydrophobicContact CG2-CD1 3.67Å; I371-I375 HydrophobicContact CG2-CG1 4.4Å; I371-I375 WeakPolarHBondContact O-CB 3.27Å; I371-I375 WeakPolarHBondContact O-CG1 3.46Å; I371-I375 PolarHBondContact O-N 2.89Å; I371-L399 HydrophobicContact CG2-CD2 4.31Å; I371-L402 HydrophobicContact CD1-CB 3.93Å; I371-L402 HydrophobicContact CG1-CB 3.67Å; I371-L402 HydrophobicContact CG1-CD1 3.78Å; I371-L402 HydrophobicContact CG1-CG 4.35Å; I371-Y403 HydrophobicContact CD1-CD1 4.12Å; I371-Y403 HydrophobicContact CD1-CD2 4.16Å; I371-Y403 HydrophobicContact CD1-CE1 3.95Å; I371-Y403 HydrophobicContact CD1-CE2 3.94Å; I371-Y403 HydrophobicContact CD1-CG 4.24Å; I371-Y403 HydrophobicContact CG1-CE2 4.37Å; I371-Y403 HydrophobicContact CG2-CE2 3.88Å; I371-Y403 WeakPolarHBondContact CG2-OH 3.4Å; I371-L406 HydrophobicContact CD1-CD1 3.61Å; I371-L406 HydrophobicContact CD1-CG 4.49Å
372E92.1Very high91.1Very high96 Ų9645.2 Ų45.245%0.44927%0.266SS..Hα-helixtrans-60.6-41.5177.7-174.6179.6172.800111.9L286 L368 L369 I375 S376L286-E372 HydrophobicContact CD1-CG 4.47Å; L368-E372 PolarHBondContact O-N 3.15Å; L369-E372 PolarHBondContact O-N 3.5Å; E372-I375 PolarHBondContact O-N 2.83Å; E372-S376 WeakPolarHBondContact O-CB 3.45Å; E372-S376 PolarHBondContact O-N 3.36Å; E372-S376 PolarHBondContact O-OG 3.26Å
373T92Very high90.7Very high41 Ų4146.8 Ų46.825%0.25227%0.274SS..Hα-helixtrans-65.4-45177-55.60000110.9L369 H370 I371 S376 S377L369-T373 WeakPolarHBondContact O-CB 3.45Å; L369-T373 PolarHBondContact O-N 3.04Å; L369-T373 PolarHBondContact O-OG1 3.28Å; H370-T373 PolarHBondContact O-N 3.12Å; I371-T373 VanDerWaalsContact C-N 3.32Å; I371-T373 PolarHBondContact O-N 3.22Å; T373-S376 PolarHBondContact O-N 3.16Å; T373-S377 WeakPolarHBondContact O-CB 3.29Å; T373-S377 PolarHBondContact O-N 2.72Å; T373-S377 VanDerWaalsContact O-N 3.1Å
374T91.7Very high90.4Very high36 Ų3647.4 Ų47.422%0.22128%0.275CS..Hα-helixtrans-60.6-47.2176.4-59.70000110.9H370 I371 S377 L378 L399H370-T374 WeakPolarHBondContact O-CB 3.46Å; H370-T374 PolarHBondContact O-N 2.9Å; H370-T374 PolarHBondContact O-OG1 2.9Å; I371-T374 PolarHBondContact O-N 3.42Å; T374-S377 PolarHBondContact O-N 3.46Å; T374-S377 PolarHBondContact O-OG 2.98Å; T374-L378 WeakPolarHBondContact O-CG 3.32Å; T374-L399 HydrophobicContact CG2-CD2 3.84Å; T374-L399 HydrophobicContact CG2-CG 4.37Å
375I92Very high90Very high12 Ų1252.2 Ų52.26%0.06229%0.293CS..Hα-helixtrans-69.3-41-179.3-67.3172.3000111.5I371 E372 S377 L378 K384 Q387 L399 Y444I371-I375 HydrophobicContact CG2-CD1 3.67Å; I371-I375 HydrophobicContact CG2-CG1 4.4Å; I371-I375 WeakPolarHBondContact O-CB 3.27Å; I371-I375 WeakPolarHBondContact O-CG1 3.46Å; I371-I375 PolarHBondContact O-N 2.89Å; E372-I375 PolarHBondContact O-N 2.83Å; I375-S377 PolarHBondContact O-N 3.4Å; I375-L378 WeakPolarHBondContact O-CB 3.44Å; I375-L378 PolarHBondContact O-N 3.08Å; I375-L378 VanDerWaalsContact O-N 3.12Å; I375-K384 HydrophobicContact CG2-CD 4.32Å; I375-K384 HydrophobicContact CG2-CG 4.4Å; I375-Q387 WeakPolarHBondContact CG2-O 3.48Å; I375-L399 HydrophobicContact CG1-CD1 4.39Å; I375-L399 HydrophobicContact CG1-CD2 4.28Å; I375-Y444 WeakPolarHBondContact CD1-OH 3.22Å
376S89.8Confident89.6Confident63 Ų6355 Ų5544%0.44131%0.308SS..Hα-helixtrans-67.6-24.5-179.1-61.40000112.8E372 T373 L378E372-S376 WeakPolarHBondContact O-CB 3.45Å; E372-S376 PolarHBondContact O-N 3.36Å; E372-S376 PolarHBondContact O-OG 3.26Å; T373-S376 PolarHBondContact O-N 3.16Å; S376-L378 PolarHBondContact O-N 2.94Å
377S90Very high89.2Confident97 Ų9759.3 Ų59.368%0.67833%0.331SS*.THydrogen-bonded Turntrans-74.2-10.9173.975.20000114.4T373 T374 I375T373-S377 WeakPolarHBondContact O-CB 3.29Å; T373-S377 PolarHBondContact O-N 2.72Å; T373-S377 VanDerWaalsContact O-N 3.1Å; T374-S377 PolarHBondContact O-N 3.46Å; T374-S377 PolarHBondContact O-OG 2.98Å; I375-S377 PolarHBondContact O-N 3.4Å
378L89.5Confident89Confident25 Ų2559.3 Ų59.313%0.13133%0.331CS..SBendtrans-82.4143.2-178.1-58.1175.1000111.8T374 I375 S376 E380 H383 K384 A389 Y393T374-L378 WeakPolarHBondContact O-CG 3.32Å; I375-L378 WeakPolarHBondContact O-CB 3.44Å; I375-L378 PolarHBondContact O-N 3.08Å; I375-L378 VanDerWaalsContact O-N 3.12Å; S376-L378 PolarHBondContact O-N 2.94Å; L378-E380 PolarHBondContact O-N 2.99Å; L378-H383 HydrophobicContact CB-CB 4.2Å; L378-K384 HydrophobicContact CB-CB 4.08Å; L378-A389 HydrophobicContact CD1-CB 3.69Å; L378-Y393 HydrophobicContact CD1-CD2 3.99Å; L378-Y393 HydrophobicContact CD1-CE2 4.3Å; L378-Y393 HydrophobicContact CD1-CG 4.34Å; L378-Y393 HydrophobicContact CD2-CD2 3.44Å; L378-Y393 VanDerWaalsContact CD2-CD2 3.44Å; L378-Y393 HydrophobicContact CD2-CE2 3.41Å; L378-Y393 VanDerWaalsContact CD2-CE2 3.41Å; L378-Y393 HydrophobicContact CG-CD2 4.38Å; L378-Y393 HydrophobicContact CG-CE2 4.47Å
379A86.5Confident88.9Confident60 Ų6057.5 Ų57.550%0.49632%0.321SS..PPolyproline II helixtrans-65131.4174.100000111.4K384A379-K384 PolarHBondContact O-N 3.21Å
380E84.8Confident88.8Confident155 Ų15556.8 Ų56.872%0.72432%0.317SS*.BIsolated β-bridgetrans-67.3140.5177.2-68.9-170163.400111.7L378 K384L378-E380 PolarHBondContact O-N 2.99Å; E380-K384 HydrophobicContact CG-CD 4.05Å; E380-K384 IonicContact OE1-NZ 3.77Å; E380-K384 PolarHBondContact OE1-NZ 3.41Å
381G81Confident88.5Confident46 Ų4655.7 Ų55.747%0.47432%0.315SS..THydrogen-bonded Turntrans103.8-85.1-177.900000111.8K384G381-K384 PolarHBondContact N-O 2.94Å
382S80.3Confident88.2Confident68 Ų6857.7 Ų57.748%0.47633%0.333SS..THydrogen-bonded Turntrans-68.5-52.3-174.358.20000111.9T390 A392S382-T390 PolarHBondContact O-OG1 2.93Å; S382-A392 WeakPolarHBondContact O-CB 3.39Å
383H85.4Confident88Confident61 Ų6153.9 Ų53.928%0.28232%0.315SS..THydrogen-bonded Turntrans-95.4-19.1-172.3-61-67.3000114.1L378 A389 T390 A392L378-H383 HydrophobicContact CB-CB 4.2Å; H383-A389 VanDerWaalsContact O-CA 3.31Å; H383-A389 WeakPolarHBondContact O-CA 3.46Å; H383-T390 WeakPolarHBondContact CA-OG1 3.45Å; H383-T390 PolarHBondContact O-N 3.38Å; H383-T390 PolarHBondContact O-OG1 3.02Å; H383-A392 PolarHBondContact CE1-O 3.28Å; H383-A392 PolarHBondContact ND1-O 3.29Å
384K89.4Confident87.7Confident32 Ų3256.3 Ų56.314%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-135.2126.1-178.1177.6-173.4170.2-153.70111I375 L378 A379 E380 G381 L388I375-K384 HydrophobicContact CG2-CD 4.32Å; I375-K384 HydrophobicContact CG2-CG 4.4Å; L378-K384 HydrophobicContact CB-CB 4.08Å; A379-K384 PolarHBondContact O-N 3.21Å; E380-K384 HydrophobicContact CG-CD 4.05Å; E380-K384 IonicContact OE1-NZ 3.77Å; E380-K384 PolarHBondContact OE1-NZ 3.41Å; G381-K384 PolarHBondContact N-O 2.94Å; K384-L388 CarbonylContact C-O 3.5Å; K384-L388 VanDerWaalsContact CA-O 3.3Å; K384-L388 WeakPolarHBondContact CA-O 3.39Å
385R87.4Confident87.6Confident100 Ų10059.7 Ų59.738%0.37734%0.343SS..EExtended strand (participates in β ladder)trans-137.7137.9172.4-171.4178.9-56.7123.99.3109Q387 L388 T390R385-Q387 PolarHBondContact O-N 2.97Å; R385-L388 PolarHBondContact N-O 3.47Å; R385-L388 WeakPolarHBondContact O-CA 3.39Å; R385-L388 WeakPolarHBondContact O-CB 3.39Å; R385-L388 PolarHBondContact O-N 2.88Å; R385-T390 HydrophobicContact CB-CG2 3.72Å
386N84.1Confident87.6Confident85 Ų8559.1 Ų59.146%0.45534%0.34SS..THydrogen-bonded Turntrans50.739.7-179.2-56.4-32.3000114.3L388 S505 Q509N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 VanDerWaalsContact O-N 3.17Å; N386-S505 VanDerWaalsContact CB-OG 3.25Å; N386-S505 WeakPolarHBondContact CB-OG 3.47Å; N386-S505 PolarHBondContact O-OG 2.67Å; N386-Q509 PolarHBondContact ND2-OE1 3.48Å
387Q87.4Confident87.7Confident154 Ų15459.9 Ų59.972%0.7234%0.336SS*.THydrogen-bonded Turntrans59.821-175.1-50.9178-2.200114.6I375 R385I375-Q387 WeakPolarHBondContact CG2-O 3.48Å; R385-Q387 PolarHBondContact O-N 2.97Å
388L91.3Very high87.9Confident4 Ų458.7 Ų58.72%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-123.4149.6176.8-65.5161.8000109.4K384 R385 N386 Y440 L506 Q509K384-L388 CarbonylContact C-O 3.5Å; K384-L388 VanDerWaalsContact CA-O 3.3Å; K384-L388 WeakPolarHBondContact CA-O 3.39Å; R385-L388 PolarHBondContact N-O 3.47Å; R385-L388 WeakPolarHBondContact O-CA 3.39Å; R385-L388 WeakPolarHBondContact O-CB 3.39Å; R385-L388 PolarHBondContact O-N 2.88Å; N386-L388 PolarHBondContact O-N 3.47Å; N386-L388 VanDerWaalsContact O-N 3.17Å; L388-Y440 HydrophobicContact CD2-CD1 4.12Å; L388-Y440 HydrophobicContact CD2-CE1 3.64Å; L388-L506 HydrophobicContact CD1-CB 4.22Å; L388-L506 HydrophobicContact CD1-CD1 4.18Å; L388-L506 HydrophobicContact CD2-CD1 4.45Å; L388-Q509 HydrophobicContact CB-CG 4.45Å; L388-Q509 HydrophobicContact CD1-CB 3.97Å; L388-Q509 HydrophobicContact CD1-CG 4.31Å
389A91.5Very high88.1Confident0 Ų057.5 Ų57.50%031%0.314CS..EExtended strand (participates in β ladder)trans-75.8142.1172.400000109.4L378 H383 Y393 L399 Y443 Y444 L447L378-A389 HydrophobicContact CD1-CB 3.69Å; H383-A389 VanDerWaalsContact O-CA 3.31Å; H383-A389 WeakPolarHBondContact O-CA 3.46Å; A389-Y393 HydrophobicContact CB-CD1 4.02Å; A389-Y393 HydrophobicContact CB-CG 4.1Å; A389-L399 HydrophobicContact CB-CD1 3.79Å; A389-Y443 WeakPolarHBondContact O-CE1 3.3Å; A389-Y443 PolarHBondContact O-OH 3.5Å; A389-Y444 HydrophobicContact CB-CE1 3.83Å; A389-L447 WeakPolarHBondContact O-CD1 3.35Å
390T92Very high88.5Confident2 Ų255.4 Ų55.41%0.01230%0.296CS..  trans-96.1175.5-178.862.80000111.1S382 H383 R385 A392 Y393 E513S382-T390 PolarHBondContact O-OG1 2.93Å; H383-T390 WeakPolarHBondContact CA-OG1 3.45Å; H383-T390 PolarHBondContact O-N 3.38Å; H383-T390 PolarHBondContact O-OG1 3.02Å; R385-T390 HydrophobicContact CB-CG2 3.72Å; T390-A392 PolarHBondContact O-N 3.24Å; T390-A392 VanDerWaalsContact O-N 3.1Å; T390-A392 PolarHBondContact OG1-N 3.44Å; T390-Y393 WeakPolarHBondContact O-CB 3.32Å; T390-Y393 PolarHBondContact O-N 3.15Å; T390-E513 WeakPolarHBondContact CA-OE1 3.38Å; T390-E513 WeakPolarHBondContact CB-OE1 3.11Å
391S86.8Confident89Confident25 Ų2554.6 Ų54.618%0.17529%0.286CS..THydrogen-bonded Turntrans-57.8-17.6172.248.70000115.4Y393 N450 E513S391-Y393 VanDerWaalsContact C-N 3.34Å; S391-N450 WeakPolarHBondContact CB-ND2 3.49Å; S391-E513 WeakPolarHBondContact CB-OE2 3.47Å; S391-E513 PolarHBondContact N-OE1 3.19Å; S391-E513 PolarHBondContact OG-OE2 2.82Å
392A86.6Confident89.7Confident50 Ų5054.2 Ų54.241%0.41327%0.273SS..THydrogen-bonded Turntrans-81-11.7176.300000113.4S382 H383 T390 P394S382-A392 WeakPolarHBondContact O-CB 3.39Å; H383-A392 PolarHBondContact CE1-O 3.28Å; H383-A392 PolarHBondContact ND1-O 3.29Å; T390-A392 PolarHBondContact O-N 3.24Å; T390-A392 VanDerWaalsContact O-N 3.1Å; T390-A392 PolarHBondContact OG1-N 3.44Å; A392-P394 WeakPolarHBondContact O-CD 3.35Å
393Y88.7Confident90.5Very high15 Ų1551.7 Ų51.76%0.05925%0.253CS..  trans-67.3125.3175.5175.1-124.1000110L378 A389 T390 S391 K395 P396 L399L378-Y393 HydrophobicContact CD1-CD2 3.99Å; L378-Y393 HydrophobicContact CD1-CE2 4.3Å; L378-Y393 HydrophobicContact CD1-CG 4.34Å; L378-Y393 HydrophobicContact CD2-CD2 3.44Å; L378-Y393 VanDerWaalsContact CD2-CD2 3.44Å; L378-Y393 HydrophobicContact CD2-CE2 3.41Å; L378-Y393 VanDerWaalsContact CD2-CE2 3.41Å; L378-Y393 HydrophobicContact CG-CD2 4.38Å; L378-Y393 HydrophobicContact CG-CE2 4.47Å; A389-Y393 HydrophobicContact CB-CD1 4.02Å; A389-Y393 HydrophobicContact CB-CG 4.1Å; T390-Y393 WeakPolarHBondContact O-CB 3.32Å; T390-Y393 PolarHBondContact O-N 3.15Å; S391-Y393 VanDerWaalsContact C-N 3.34Å; Y393-K395 VanDerWaalsContact C-N 3.34Å; Y393-K395 HydrophobicContact CE1-CB 4.14Å; Y393-K395 WeakPolarHBondContact CE1-O 3.32Å; Y393-K395 HydrophobicContact CE2-CB 4.41Å; Y393-K395 PolarHBondContact O-N 3.42Å; Y393-P396 HydrophobicContact CD1-CB 4.35Å; Y393-P396 WeakPolarHBondContact O-CD 3.41Å; Y393-L399 HydrophobicContact CD1-CD1 4.02Å; Y393-L399 HydrophobicContact CE1-CD1 3.64Å; Y393-L399 HydrophobicContact CE1-CG 4.06Å
394P85.4Confident91Very high93 Ų9351 Ų5160%0.60425%0.252SS*.SBendtrans-74.8-16.8-17126.7-36.4000115.1A392 P396A392-P394 WeakPolarHBondContact O-CD 3.35Å; P394-P396 WeakPolarHBondContact O-CD 3.49Å
395K90.7Very high91.3Very high107 Ų10751.7 Ų51.747%0.46526%0.258SS..  trans-125.749.3-173.1-60.4-172.3178.8-175.70114.3Y393 Q397 E398Y393-K395 VanDerWaalsContact C-N 3.34Å; Y393-K395 HydrophobicContact CE1-CB 4.14Å; Y393-K395 WeakPolarHBondContact CE1-O 3.32Å; Y393-K395 HydrophobicContact CE2-CB 4.41Å; Y393-K395 PolarHBondContact O-N 3.42Å; K395-Q397 PolarHBondContact O-N 3.25Å; K395-E398 HydrophobicContact CB-CG 4.25Å; K395-E398 WeakPolarHBondContact CD-OE1 3.31Å; K395-E398 IonicContact NZ-OE1 3.22Å; K395-E398 PolarHBondContact O-N 2.97Å
396P90.9Very high91.7Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-61.7-20.9-17829-36.7000113Y393 P394 E398 L399 S400 L447 A448Y393-P396 HydrophobicContact CD1-CB 4.35Å; Y393-P396 WeakPolarHBondContact O-CD 3.41Å; P394-P396 WeakPolarHBondContact O-CD 3.49Å; P396-E398 PolarHBondContact O-N 3.4Å; P396-L399 PolarHBondContact O-N 3.27Å; P396-S400 PolarHBondContact O-N 3.35Å; P396-L447 HydrophobicContact CB-CB 3.73Å; P396-L447 HydrophobicContact CG-CB 4.19Å; P396-A448 HydrophobicContact CB-CB 4.4Å; P396-A448 VanDerWaalsContact CG-CA 3.48Å; P396-A448 HydrophobicContact CG-CB 3.84Å
397Q92.8Very high92.3Very high78 Ų7843.2 Ų43.236%0.36422%0.221SC..Hα-helixtrans-64-27.7175.1-54.381.7-0.400112.7K395 S400 R401 A448K395-Q397 PolarHBondContact O-N 3.25Å; Q397-S400 WeakPolarHBondContact CA-OG 3.21Å; Q397-S400 PolarHBondContact O-OG 3.04Å; Q397-S400 VanDerWaalsContact O-OG 3.1Å; Q397-R401 WeakPolarHBondContact O-CB 3.36Å; Q397-R401 PolarHBondContact O-N 3.48Å; Q397-A448 HydrophobicContact CG-CB 3.8Å
398E92.8Very high92.7Very high72 Ų7240.6 Ų40.634%0.33621%0.209SC..Hα-helixtrans-69.2-44.7176.1-68.9179.1174.100110.9K395 P396 R401 L402K395-E398 HydrophobicContact CB-CG 4.25Å; K395-E398 WeakPolarHBondContact CD-OE1 3.31Å; K395-E398 IonicContact NZ-OE1 3.22Å; K395-E398 PolarHBondContact O-N 2.97Å; P396-E398 PolarHBondContact O-N 3.4Å; E398-R401 PolarHBondContact O-N 3.31Å; E398-L402 WeakPolarHBondContact O-CG 3.1Å; E398-L402 PolarHBondContact O-N 3.01Å
399L95Very high92.9Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-66.7-44176.3-69173.1000111.7I371 T374 I375 A389 Y393 P396 R401 L402 Y403 Y444I371-L399 HydrophobicContact CG2-CD2 4.31Å; T374-L399 HydrophobicContact CG2-CD2 3.84Å; T374-L399 HydrophobicContact CG2-CG 4.37Å; I375-L399 HydrophobicContact CG1-CD1 4.39Å; I375-L399 HydrophobicContact CG1-CD2 4.28Å; A389-L399 HydrophobicContact CB-CD1 3.79Å; Y393-L399 HydrophobicContact CD1-CD1 4.02Å; Y393-L399 HydrophobicContact CE1-CD1 3.64Å; Y393-L399 HydrophobicContact CE1-CG 4.06Å; P396-L399 PolarHBondContact O-N 3.27Å; L399-R401 PolarHBondContact O-N 3.22Å; L399-L402 HydrophobicContact CD2-CD1 4.48Å; L399-L402 PolarHBondContact O-N 3.43Å; L399-L402 VanDerWaalsContact O-N 3.1Å; L399-Y403 VanDerWaalsContact O-CD2 3.25Å; L399-Y403 WeakPolarHBondContact O-CD2 3.3Å; L399-Y403 PolarHBondContact O-N 3.17Å; L399-Y444 HydrophobicContact CB-CD1 3.72Å; L399-Y444 HydrophobicContact CB-CD2 4.14Å; L399-Y444 HydrophobicContact CB-CE1 4.07Å; L399-Y444 HydrophobicContact CB-CG 3.75Å; L399-Y444 HydrophobicContact CD1-CD1 3.68Å; L399-Y444 HydrophobicContact CD1-CE1 3.32Å; L399-Y444 HydrophobicContact CG-CD1 4.35Å; L399-Y444 HydrophobicContact CG-CE1 4.29Å
400S94.5Very high93.1Very high16 Ų1641 Ų4111%0.11221%0.211CC..Hα-helixtrans-59.2-36.9178.872.90000112.3P396 Q397 D404P396-S400 PolarHBondContact O-N 3.35Å; Q397-S400 WeakPolarHBondContact CA-OG 3.21Å; Q397-S400 PolarHBondContact O-OG 3.04Å; Q397-S400 VanDerWaalsContact O-OG 3.1Å; S400-D404 WeakPolarHBondContact O-CB 3.45Å; S400-D404 PolarHBondContact O-N 3.22Å
401R95.6Very high93.2Very high139 Ų13944.9 Ų44.953%0.52523%0.229SC..Hα-helixtrans-67.1-40.2174.9-166.6-168-46.6102.14.4113Q397 E398 L399 D404 T405Q397-R401 WeakPolarHBondContact O-CB 3.36Å; Q397-R401 PolarHBondContact O-N 3.48Å; E398-R401 PolarHBondContact O-N 3.31Å; L399-R401 PolarHBondContact O-N 3.22Å; R401-D404 PolarHBondContact O-N 2.89Å; R401-T405 PolarHBondContact O-N 3.41Å; R401-T405 PolarHBondContact O-OG1 3.05Å
402L95.3Very high93.5Very high38 Ų3847.8 Ų47.820%0.19924%0.24CC..Hα-helixtrans-64.5-43.8176.4-67.9173.6000111T367 I371 E398 L399 T405 L406T367-L402 HydrophobicContact CG2-CB 4.25Å; T367-L402 HydrophobicContact CG2-CD2 4.31Å; I371-L402 HydrophobicContact CD1-CB 3.93Å; I371-L402 HydrophobicContact CG1-CB 3.67Å; I371-L402 HydrophobicContact CG1-CD1 3.78Å; I371-L402 HydrophobicContact CG1-CG 4.35Å; E398-L402 WeakPolarHBondContact O-CG 3.1Å; E398-L402 PolarHBondContact O-N 3.01Å; L399-L402 HydrophobicContact CD2-CD1 4.48Å; L399-L402 PolarHBondContact O-N 3.43Å; L399-L402 VanDerWaalsContact O-N 3.1Å; L402-T405 WeakPolarHBondContact O-CB 3.43Å; L402-T405 PolarHBondContact O-N 3.39Å; L402-L406 PolarHBondContact O-N 3.47Å
403Y97Very high93.7Very high14 Ų1445.4 Ų45.46%0.05522%0.22CC..Hα-helixtrans-66.8-34.6173.9-77.8-74.7000113I371 L399 T405 L406 V407 Y437 Y440 Y444I371-Y403 HydrophobicContact CD1-CD1 4.12Å; I371-Y403 HydrophobicContact CD1-CD2 4.16Å; I371-Y403 HydrophobicContact CD1-CE1 3.95Å; I371-Y403 HydrophobicContact CD1-CE2 3.94Å; I371-Y403 HydrophobicContact CD1-CG 4.24Å; I371-Y403 HydrophobicContact CG1-CE2 4.37Å; I371-Y403 HydrophobicContact CG2-CE2 3.88Å; I371-Y403 WeakPolarHBondContact CG2-OH 3.4Å; L399-Y403 VanDerWaalsContact O-CD2 3.25Å; L399-Y403 WeakPolarHBondContact O-CD2 3.3Å; L399-Y403 PolarHBondContact O-N 3.17Å; Y403-T405 VanDerWaalsContact C-N 3.33Å; Y403-L406 HydrophobicContact CD1-CD1 3.9Å; Y403-L406 HydrophobicContact CE1-CD1 4.27Å; Y403-L406 WeakPolarHBondContact O-CB 3.32Å; Y403-L406 PolarHBondContact O-N 3.42Å; Y403-V407 WeakPolarHBondContact O-CG2 3.45Å; Y403-V407 PolarHBondContact O-N 2.98Å; Y403-Y437 AromaticContact CD1-CD1 3.92Å; Y403-Y437 HydrophobicContact CD1-CD1 3.92Å; Y403-Y437 AromaticContact CE1-CD1 3.92Å; Y403-Y437 HydrophobicContact CE1-CD1 3.92Å; Y403-Y437 HydrophobicContact CE1-CE1 4.5Å; Y403-Y440 VanDerWaalsContact CD1-CB 3.4Å; Y403-Y440 HydrophobicContact CD1-CD2 4.42Å; Y403-Y440 HydrophobicContact CD1-CG 4.1Å; Y403-Y440 HydrophobicContact CE1-CD1 4.21Å; Y403-Y440 AromaticContact CE1-CD2 3.83Å; Y403-Y440 HydrophobicContact CE1-CD2 3.83Å; Y403-Y440 AromaticContact CE1-CG 3.53Å; Y403-Y440 HydrophobicContact CE1-CG 3.53Å; Y403-Y440 AromaticContact CZ-CD1 4Å; Y403-Y440 AromaticContact CZ-CG 3.77Å; Y403-Y444 AromaticContact CD2-CD2 3.47Å; Y403-Y444 HydrophobicContact CD2-CD2 3.47Å; Y403-Y444 VanDerWaalsContact CD2-CD2 3.47Å; Y403-Y444 AromaticContact CD2-CE2 3.66Å; Y403-Y444 HydrophobicContact CD2-CE2 3.66Å; Y403-Y444 AromaticContact CE2-CD2 3.44Å; Y403-Y444 HydrophobicContact CE2-CD2 3.44Å; Y403-Y444 VanDerWaalsContact CE2-CD2 3.44Å; Y403-Y444 AromaticContact CE2-CE2 3.07Å; Y403-Y444 HydrophobicContact CE2-CE2 3.07Å; Y403-Y444 AromaticContact CZ-CE2 3.79Å
404D96.4Very high93.9Very high47 Ų4745.2 Ų45.225%0.25122%0.22SC..Hα-helixtrans-63.6-41.1172.4-165.158.1000111.9S400 R401 L406 V407 Q408 R441S400-D404 WeakPolarHBondContact O-CB 3.45Å; S400-D404 PolarHBondContact O-N 3.22Å; R401-D404 PolarHBondContact O-N 2.89Å; D404-L406 VanDerWaalsContact C-N 3.3Å; D404-L406 PolarHBondContact O-N 2.93Å; D404-V407 PolarHBondContact O-N 2.86Å; D404-V407 VanDerWaalsContact O-N 3.16Å; D404-Q408 WeakPolarHBondContact O-CG 3.37Å; D404-Q408 PolarHBondContact O-N 3.08Å; D404-Q408 PolarHBondContact OD2-NE2 3.39Å; D404-R441 HydrophobicContact CB-CG 4.35Å; D404-R441 WeakPolarHBondContact OD1-CD 3.4Å; D404-R441 IonicContact OD1-CZ 3.61Å; D404-R441 IonicContact OD1-NE 2.69Å; D404-R441 IonicContact OD1-NH1 2.7Å; D404-R441 PolarHBondContact OD1-NH1 3.27Å
405T96.1Very high94Very high46 Ų4644.7 Ų44.728%0.28222%0.219SC..Hα-helixtrans-59.4-41.1173.4-54.20000111.2R401 L402 Y403 Q408 N409R401-T405 PolarHBondContact O-N 3.41Å; R401-T405 PolarHBondContact O-OG1 3.05Å; L402-T405 WeakPolarHBondContact O-CB 3.43Å; L402-T405 PolarHBondContact O-N 3.39Å; Y403-T405 VanDerWaalsContact C-N 3.33Å; T405-Q408 PolarHBondContact O-N 3.49Å; T405-N409 WeakPolarHBondContact O-CB 3.36Å; T405-N409 VanDerWaalsContact O-CG 3.25Å; T405-N409 PolarHBondContact O-N 3.27Å; T405-N409 PolarHBondContact O-ND2 3.42Å; T405-N409 VanDerWaalsContact O-ND2 3.09Å
406L95.5Very high93.8Very high0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-59.6-50.2172.9-71.6175000111.6I364 T367 L368 I371 L402 Y403 D404 Q408 N409 F410 Y437I364-L406 HydrophobicContact CB-CD2 4.17Å; I364-L406 HydrophobicContact CG1-CD2 4.15Å; I364-L406 HydrophobicContact CG2-CD2 3.93Å; T367-L406 HydrophobicContact CG2-CD1 4.34Å; T367-L406 HydrophobicContact CG2-CD2 3.76Å; T367-L406 HydrophobicContact CG2-CG 3.69Å; L368-L406 HydrophobicContact CD2-CD1 3.63Å; L368-L406 HydrophobicContact CD2-CD2 4.46Å; L368-L406 HydrophobicContact CG-CD1 4.25Å; L368-L406 HydrophobicContact CG-CD2 4.21Å; I371-L406 HydrophobicContact CD1-CD1 3.61Å; I371-L406 HydrophobicContact CD1-CG 4.49Å; L402-L406 PolarHBondContact O-N 3.47Å; Y403-L406 HydrophobicContact CD1-CD1 3.9Å; Y403-L406 HydrophobicContact CE1-CD1 4.27Å; Y403-L406 WeakPolarHBondContact O-CB 3.32Å; Y403-L406 PolarHBondContact O-N 3.42Å; D404-L406 VanDerWaalsContact C-N 3.3Å; D404-L406 PolarHBondContact O-N 2.93Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.03Å; L406-N409 PolarHBondContact O-N 3.4Å; L406-N409 VanDerWaalsContact O-N 3.16Å; L406-F410 VanDerWaalsContact O-CD2 3.27Å; L406-F410 WeakPolarHBondContact O-CD2 3.43Å; L406-F410 PolarHBondContact O-N 2.94Å; L406-Y437 HydrophobicContact CB-CG 4.24Å; L406-Y437 HydrophobicContact CD1-CD1 3.76Å; L406-Y437 HydrophobicContact CD1-CE1 4.01Å; L406-Y437 HydrophobicContact CD1-CG 4.16Å
407V96.7Very high93.2Very high7 Ų743.2 Ų43.24%0.04222%0.219CC..Hα-helixtrans-58.7-41.3179.6174.20000111.3Y403 D404 Q411 M434 R438Y403-V407 WeakPolarHBondContact O-CG2 3.45Å; Y403-V407 PolarHBondContact O-N 2.98Å; D404-V407 PolarHBondContact O-N 2.86Å; D404-V407 VanDerWaalsContact O-N 3.16Å; V407-Q411 WeakPolarHBondContact O-CB 3.15Å; V407-Q411 PolarHBondContact O-N 3.48Å; V407-M434 HydrophobicContact CG1-CG 4.09Å; V407-M434 HydrophobicContact CG1-SD 4.41Å; V407-R438 HydrophobicContact CB-CG 4.42Å; V407-R438 HydrophobicContact CG1-CG 3.79Å; V407-R438 HydrophobicContact CG2-CB 4.43Å; V407-R438 HydrophobicContact CG2-CG 3.64Å
408Q96.2Very high92.1Very high99 Ų9940.1 Ų40.146%0.46321%0.206SC..Hα-helixtrans-63.5-47175.2-68.2176.122.500111.6D404 T405 L406 F410 Q411 E412D404-Q408 WeakPolarHBondContact O-CG 3.37Å; D404-Q408 PolarHBondContact O-N 3.08Å; D404-Q408 PolarHBondContact OD2-NE2 3.39Å; T405-Q408 PolarHBondContact O-N 3.49Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.03Å; Q408-F410 VanDerWaalsContact C-N 3.35Å; Q408-F410 PolarHBondContact O-N 3.29Å; Q408-Q411 WeakPolarHBondContact O-CB 3.43Å; Q408-Q411 PolarHBondContact O-N 2.96Å; Q408-Q411 VanDerWaalsContact O-N 3.14Å; Q408-E412 WeakPolarHBondContact O-CG 3.47Å; Q408-E412 PolarHBondContact O-N 3.34Å
409N95.5Very high90.8Very high14 Ų1436.9 Ų36.98%0.07519%0.191CC..Hα-helixtrans-60.4-41.9177.4-71.4-38.3000112.3L360 T363 I364 T405 L406 E412 I413L360-N409 HydrophobicContact CD2-CB 4.34Å; T363-N409 WeakPolarHBondContact CG2-ND2 3.35Å; I364-N409 HydrophobicContact CD1-CB 4Å; I364-N409 HydrophobicContact CG1-CB 3.69Å; T405-N409 WeakPolarHBondContact O-CB 3.36Å; T405-N409 VanDerWaalsContact O-CG 3.25Å; T405-N409 PolarHBondContact O-N 3.27Å; T405-N409 PolarHBondContact O-ND2 3.42Å; T405-N409 VanDerWaalsContact O-ND2 3.09Å; L406-N409 PolarHBondContact O-N 3.4Å; L406-N409 VanDerWaalsContact O-N 3.16Å; N409-E412 PolarHBondContact O-N 3Å; N409-I413 WeakPolarHBondContact O-CG1 3.06Å; N409-I413 PolarHBondContact O-N 3.14Å
410F94.7Very high89.1Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-64-41.6174.5-86-78.7000111.8I364 L406 Q408 E412 I413 I414 L430 K433 M434 Y437 P492I364-F410 HydrophobicContact CD1-CD1 4.34Å; I364-F410 HydrophobicContact CD1-CD2 3.92Å; I364-F410 HydrophobicContact CD1-CE1 4.2Å; I364-F410 HydrophobicContact CD1-CE2 3.72Å; I364-F410 HydrophobicContact CD1-CG 4.2Å; I364-F410 HydrophobicContact CD1-CZ 3.88Å; I364-F410 HydrophobicContact CG1-CD2 4.41Å; I364-F410 HydrophobicContact CG1-CE2 4.11Å; I364-F410 HydrophobicContact CG2-CE2 3.87Å; I364-F410 HydrophobicContact CG2-CZ 4.04Å; L406-F410 VanDerWaalsContact O-CD2 3.27Å; L406-F410 WeakPolarHBondContact O-CD2 3.43Å; L406-F410 PolarHBondContact O-N 2.94Å; Q408-F410 VanDerWaalsContact C-N 3.35Å; Q408-F410 PolarHBondContact O-N 3.29Å; F410-E412 VanDerWaalsContact C-N 3.3Å; F410-E412 PolarHBondContact O-N 2.99Å; F410-I413 PolarHBondContact O-N 3.48Å; F410-I414 WeakPolarHBondContact O-CB 3.43Å; F410-I414 WeakPolarHBondContact O-CD1 3.21Å; F410-I414 VanDerWaalsContact O-CG1 3.22Å; F410-I414 WeakPolarHBondContact O-CG1 3.34Å; F410-I414 PolarHBondContact O-N 3.41Å; F410-L430 HydrophobicContact CD1-CD2 3.98Å; F410-L430 HydrophobicContact CE1-CD2 3.92Å; F410-K433 HydrophobicContact CD1-CB 4.44Å; F410-K433 HydrophobicContact CE1-CB 3.82Å; F410-K433 HydrophobicContact CE1-CD 4.2Å; F410-K433 HydrophobicContact CZ-CB 4.05Å; F410-K433 HydrophobicContact CZ-CD 4.3Å; F410-M434 HydrophobicContact CB-CB 3.95Å; F410-M434 HydrophobicContact CB-CG 4.05Å; F410-M434 HydrophobicContact CG-CB 4.41Å; F410-Y437 AromaticContact CD2-CD2 3.73Å; F410-Y437 HydrophobicContact CD2-CD2 3.73Å; F410-Y437 HydrophobicContact CD2-CE2 4.05Å; F410-Y437 AromaticContact CE2-CD2 3.35Å; F410-Y437 HydrophobicContact CE2-CD2 3.35Å; F410-Y437 AromaticContact CE2-CE2 3.18Å; F410-Y437 HydrophobicContact CE2-CE2 3.18Å; F410-Y437 HydrophobicContact CZ-CD2 4.11Å; F410-Y437 AromaticContact CZ-CE2 3.58Å; F410-Y437 HydrophobicContact CZ-CE2 3.58Å; F410-P492 HydrophobicContact CE1-CG 3.87Å; F410-P492 HydrophobicContact CZ-CG 4.1Å
411Q94.2Very high87.7Confident82 Ų8244.6 Ų44.638%0.38323%0.227SC..Hα-helixtrans-61.7-39.3175.2-173.468.646.500111.6V407 Q408 I414 S415 M434V407-Q411 WeakPolarHBondContact O-CB 3.15Å; V407-Q411 PolarHBondContact O-N 3.48Å; Q408-Q411 WeakPolarHBondContact O-CB 3.43Å; Q408-Q411 PolarHBondContact O-N 2.96Å; Q408-Q411 VanDerWaalsContact O-N 3.14Å; Q411-I414 PolarHBondContact O-N 2.86Å; Q411-S415 WeakPolarHBondContact O-CB 3.43Å; Q411-S415 PolarHBondContact O-N 3.45Å; Q411-M434 HydrophobicContact CB-SD 4.31Å; Q411-M434 PolarHBondContact OE1-SD 3.06Å; Q411-M434 VanDerWaalsContact OE1-SD 3.41Å
412E92.9Very high86.5Confident87 Ų8743 Ų4341%0.40723%0.229SC..Hα-helixtrans-64.6-45.6174.3-74.4-176-149.900111.6L360 Q408 N409 F410 I414 S415 L416L360-E412 HydrophobicContact CD1-CB 3.8Å; L360-E412 HydrophobicContact CD2-CB 4.11Å; L360-E412 WeakPolarHBondContact CD2-OE2 3.23Å; Q408-E412 WeakPolarHBondContact O-CG 3.47Å; Q408-E412 PolarHBondContact O-N 3.34Å; N409-E412 PolarHBondContact O-N 3Å; F410-E412 VanDerWaalsContact C-N 3.3Å; F410-E412 PolarHBondContact O-N 2.99Å; E412-I414 VanDerWaalsContact C-N 3.34Å; E412-I414 PolarHBondContact O-N 2.58Å; E412-S415 WeakPolarHBondContact CA-OG 3.35Å; E412-S415 WeakPolarHBondContact O-CA 3.5Å; E412-S415 PolarHBondContact O-N 3.05Å; E412-S415 PolarHBondContact O-OG 3.26Å; E412-L416 PolarHBondContact O-N 3.04Å
413I91.5Very high85.7Confident0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-58.1-47.6175.2-70.5177.2000110.7Y357 L360 I364 N409 F410 S415 L416 L419 L430 P492Y357-I413 HydrophobicContact CD2-CG1 4.49Å; Y357-I413 HydrophobicContact CD2-CG2 4.01Å; Y357-I413 HydrophobicContact CE2-CD1 4.39Å; Y357-I413 HydrophobicContact CE2-CG2 3.89Å; L360-I413 HydrophobicContact CB-CD1 3.82Å; L360-I413 HydrophobicContact CB-CG1 3.55Å; L360-I413 HydrophobicContact CD1-CG1 3.76Å; L360-I413 HydrophobicContact CG-CG1 4.25Å; I364-I413 HydrophobicContact CD1-CD1 3.47Å; I364-I413 VanDerWaalsContact CD1-CD1 3.47Å; N409-I413 WeakPolarHBondContact O-CG1 3.06Å; N409-I413 PolarHBondContact O-N 3.14Å; F410-I413 PolarHBondContact O-N 3.48Å; I413-S415 PolarHBondContact O-N 2.95Å; I413-L416 WeakPolarHBondContact O-CB 3.26Å; I413-L416 PolarHBondContact O-N 2.74Å; I413-L416 VanDerWaalsContact O-N 3.08Å; I413-L419 HydrophobicContact CG2-CD2 3.53Å; I413-L419 WeakPolarHBondContact O-CD2 3.41Å; I413-L430 HydrophobicContact CG2-CD1 3.83Å; I413-L430 HydrophobicContact CG2-CD2 4.25Å; I413-P492 HydrophobicContact CD1-CG 3.83Å
414I91.3Very high85.1Confident10 Ų1048 Ų485%0.05126%0.255CS..Hα-helixtrans-63-26.1177.5-66.8164.3000111.1F410 Q411 E412 V420 L430 Y431 M434F410-I414 WeakPolarHBondContact O-CB 3.43Å; F410-I414 WeakPolarHBondContact O-CD1 3.21Å; F410-I414 VanDerWaalsContact O-CG1 3.22Å; F410-I414 WeakPolarHBondContact O-CG1 3.34Å; F410-I414 PolarHBondContact O-N 3.41Å; Q411-I414 PolarHBondContact O-N 2.86Å; E412-I414 VanDerWaalsContact C-N 3.34Å; E412-I414 PolarHBondContact O-N 2.58Å; I414-V420 WeakPolarHBondContact O-CG2 3.31Å; I414-L430 HydrophobicContact CD1-CB 4.07Å; I414-L430 HydrophobicContact CG1-CB 3.83Å; I414-L430 HydrophobicContact CG1-CD1 4.27Å; I414-Y431 HydrophobicContact CD1-CD1 4.19Å; I414-Y431 HydrophobicContact CD1-CD2 4.29Å; I414-Y431 HydrophobicContact CD1-CE1 4.2Å; I414-Y431 HydrophobicContact CD1-CE2 4.26Å; I414-Y431 HydrophobicContact CD1-CG 4.23Å; I414-Y431 HydrophobicContact CG2-CE2 3.75Å; I414-Y431 WeakPolarHBondContact CG2-OH 3.41Å; I414-M434 HydrophobicContact CD1-CE 4.17Å; I414-M434 HydrophobicContact CD1-SD 4.23Å
415S89.3Confident84.6Confident83 Ų8346.1 Ų46.158%0.5825%0.246SC*.Hα-helixtrans-84.1-7.9177.174.70000114.4Q411 E412 I413Q411-S415 WeakPolarHBondContact O-CB 3.43Å; Q411-S415 PolarHBondContact O-N 3.45Å; E412-S415 WeakPolarHBondContact CA-OG 3.35Å; E412-S415 WeakPolarHBondContact O-CA 3.5Å; E412-S415 PolarHBondContact O-N 3.05Å; E412-S415 PolarHBondContact O-OG 3.26Å; I413-S415 PolarHBondContact O-N 2.95Å
416L86.3Confident84.2Confident18 Ų1844 Ų449%0.09423%0.233CC..SBendtrans-64.6133.9-178.6-70.4178.1000111.2T353 Q356 Y357 L360 E412 I413T353-L416 HydrophobicContact CG2-CB 4.05Å; T353-L416 HydrophobicContact CG2-CD1 4.47Å; T353-L416 HydrophobicContact CG2-CD2 4.42Å; Q356-L416 HydrophobicContact CB-CD2 4.07Å; Y357-L416 HydrophobicContact CD2-CD1 4.28Å; L360-L416 HydrophobicContact CD1-CD1 4.3Å; E412-L416 PolarHBondContact O-N 3.04Å; I413-L416 WeakPolarHBondContact O-CB 3.26Å; I413-L416 PolarHBondContact O-N 2.74Å; I413-L416 VanDerWaalsContact O-N 3.08Å
417P77.9Confident83.8Confident58 Ų5847.2 Ų47.238%0.37725%0.247SC..THydrogen-bonded Turntrans-56.6153.6172.1-23.934000112T353 L419T353-P417 WeakPolarHBondContact CG2-O 3.04Å; P417-L419 PolarHBondContact O-N 2.93Å
418C68.9Low83.5Confident13 Ų1350 Ų509%0.08826%0.262CS..THydrogen-bonded Turntrans70.3-35.5-178.1-49.10000116.3V420C418-V420 VanDerWaalsContact C-N 3.34Å; C418-V420 PolarHBondContact O-N 3.18Å
419L65.3Low83.3Confident4 Ų445.3 Ų45.32%0.02124%0.239CC..Hα-helixtrans-63.2-40.4-177.7-166.467.3000112.7W254 L255 I413 P417 L426 L430W254-L419 HydrophobicContact CZ2-CD1 4.01Å; L255-L419 HydrophobicContact CD1-CD1 3.48Å; L255-L419 VanDerWaalsContact CD1-CD1 3.48Å; I413-L419 HydrophobicContact CG2-CD2 3.53Å; I413-L419 WeakPolarHBondContact O-CD2 3.41Å; P417-L419 PolarHBondContact O-N 2.93Å; L419-L426 HydrophobicContact CD1-CD2 3.49Å; L419-L426 VanDerWaalsContact CD1-CD2 3.49Å; L419-L426 HydrophobicContact CG-CD2 4.19Å; L419-L430 HydrophobicContact CD2-CD1 3.83Å
420V59.4Low83.1Confident40 Ų4044.7 Ų44.724%0.24224%0.236CC..Hα-helixtrans-83.5-28.7-171-1740000113.5I414 C418 K427I414-V420 WeakPolarHBondContact O-CG2 3.31Å; C418-V420 VanDerWaalsContact C-N 3.34Å; C418-V420 PolarHBondContact O-N 3.18Å; V420-K427 HydrophobicContact CG1-CD 3.72Å; V420-K427 HydrophobicContact CG1-CG 4.41Å
421Q65.4Low83Confident137 Ų13749.3 Ų49.364%0.6425%0.254SS*.Hα-helixtrans-78.1-38-169.9-74.3-177.9-23.900111.8
422D70.1Confident83Confident105 Ų10545.6 Ų45.656%0.56124%0.238SC*.Hα-helixtrans-100.4-23.9-169.6-57-27.9000113
423H79.4Confident83.1Confident44 Ų4441.5 Ų41.520%0.20422%0.219CC..  trans-123.982-170.5-62.297.7000112.4L426 K427 E487H423-L426 HydrophobicContact CB-CB 3.88Å; H423-L426 HydrophobicContact CB-CD2 4.5Å; H423-K427 PolarHBondContact O-N 3.4Å; H423-K427 VanDerWaalsContact O-N 3.13Å; H423-E487 WeakPolarHBondContact CB-OE1 3.35Å; H423-E487 IonicContact CD2-OE1 3.51Å; H423-E487 IonicContact CG-OE1 2.61Å
424I84.2Confident83.3Confident115 Ų11541.7 Ų41.759%0.5922%0.219SC*.Hα-helixtrans-64.8-40.4-179.8-62.8153.3000111.1K427 D428I424-K427 WeakPolarHBondContact O-CB 3.12Å; I424-K427 PolarHBondContact O-N 3.07Å; I424-D428 PolarHBondContact O-N 3.45Å
425G85.7Confident83.6Confident6 Ų642.8 Ų42.86%0.06223%0.225CC..Hα-helixtrans-60.6-48.6177.900000112.4K427 D428 L429G425-K427 VanDerWaalsContact C-N 3.3Å; G425-K427 PolarHBondContact O-N 3.39Å; G425-D428 PolarHBondContact O-N 3.12Å; G425-L429 PolarHBondContact O-N 2.89Å
426L87.4Confident83.9Confident1 Ų138.9 Ų38.91%0.00520%0.198CC..Hα-helixtrans-58.4-41.2174.3-178.555.6000112.6L255 L419 H423 L429 L430 E487 A491L255-L426 HydrophobicContact CD2-CD2 3.85Å; L419-L426 HydrophobicContact CD1-CD2 3.49Å; L419-L426 VanDerWaalsContact CD1-CD2 3.49Å; L419-L426 HydrophobicContact CG-CD2 4.19Å; H423-L426 HydrophobicContact CB-CB 3.88Å; H423-L426 HydrophobicContact CB-CD2 4.5Å; L426-L429 PolarHBondContact O-N 3.46Å; L426-L430 HydrophobicContact CD1-CD1 4.31Å; L426-L430 HydrophobicContact CD1-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 4.1Å; L426-L430 HydrophobicContact CG-CG 4.46Å; L426-L430 VanDerWaalsContact O-CG 3.25Å; L426-L430 WeakPolarHBondContact O-CG 3.46Å; L426-L430 PolarHBondContact O-N 3.25Å; L426-E487 HydrophobicContact CB-CB 4.06Å; L426-E487 HydrophobicContact CB-CG 3.94Å; L426-E487 HydrophobicContact CD1-CB 4.22Å; L426-E487 PolarHBondContact N-OE1 3.43Å; L426-E487 VanDerWaalsContact N-OE1 3.11Å; L426-A491 HydrophobicContact CD1-CB 3.95Å
427K88.3Confident84.4Confident68 Ų6838.2 Ų38.230%0.29619%0.194SC..Hα-helixtrans-59.5-49.3176.9-175.4-167.7-174171.50110.9V420 H423 I424 G425 L429 L430 Y431V420-K427 HydrophobicContact CG1-CD 3.72Å; V420-K427 HydrophobicContact CG1-CG 4.41Å; H423-K427 PolarHBondContact O-N 3.4Å; H423-K427 VanDerWaalsContact O-N 3.13Å; I424-K427 WeakPolarHBondContact O-CB 3.12Å; I424-K427 PolarHBondContact O-N 3.07Å; G425-K427 VanDerWaalsContact C-N 3.3Å; G425-K427 PolarHBondContact O-N 3.39Å; K427-L429 VanDerWaalsContact C-N 3.32Å; K427-L429 PolarHBondContact O-N 3.42Å; K427-L430 PolarHBondContact O-N 2.91Å; K427-Y431 HydrophobicContact CD-CE2 4.12Å; K427-Y431 HydrophobicContact CG-CD2 3.81Å; K427-Y431 HydrophobicContact CG-CE2 3.6Å; K427-Y431 WeakPolarHBondContact O-CD2 3.39Å; K427-Y431 PolarHBondContact O-N 3.07Å
428D89.8Confident85.4Confident66 Ų6639.1 Ų39.135%0.35319%0.19SC..Hα-helixtrans-59.6-43.7179-66.5-21.2000111.3I424 G425 L430 Y431 A432 T482I424-D428 PolarHBondContact O-N 3.45Å; G425-D428 PolarHBondContact O-N 3.12Å; D428-L430 PolarHBondContact O-N 3.34Å; D428-Y431 PolarHBondContact O-N 3.33Å; D428-A432 PolarHBondContact O-N 2.97Å; D428-T482 PolarHBondContact OD2-OG1 3.47Å
429L91.2Very high86.7Confident0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-60-44.3175.2177.658.7000112G425 L426 K427 Y431 A432 K433 L476 W483 A491 P496G425-L429 PolarHBondContact O-N 2.89Å; L426-L429 PolarHBondContact O-N 3.46Å; K427-L429 VanDerWaalsContact C-N 3.32Å; K427-L429 PolarHBondContact O-N 3.42Å; L429-Y431 PolarHBondContact O-N 3.18Å; L429-A432 PolarHBondContact O-N 3.23Å; L429-K433 HydrophobicContact CD1-CG 4.33Å; L429-K433 WeakPolarHBondContact O-CG 3.47Å; L429-K433 PolarHBondContact O-N 3.05Å; L429-L476 HydrophobicContact CD1-CD2 3.94Å; L429-W483 HydrophobicContact CB-CB 4.45Å; L429-W483 HydrophobicContact CB-CD2 3.99Å; L429-W483 HydrophobicContact CB-CE3 3.92Å; L429-W483 HydrophobicContact CB-CG 4.22Å; L429-W483 HydrophobicContact CD1-CD2 4.13Å; L429-W483 HydrophobicContact CD1-CE3 4.32Å; L429-W483 HydrophobicContact CD1-CH2 4.31Å; L429-W483 HydrophobicContact CD1-CZ2 4.09Å; L429-W483 HydrophobicContact CD1-CZ3 4.41Å; L429-W483 HydrophobicContact CD2-CD2 4.26Å; L429-W483 HydrophobicContact CD2-CG 4.06Å; L429-W483 HydrophobicContact CG-CD2 4.34Å; L429-A491 HydrophobicContact CD2-CB 3.64Å; L429-A491 HydrophobicContact CG-CB 4.26Å; L429-P496 HydrophobicContact CD1-CG 4.04Å
430L92.3Very high88.2Confident2 Ų238.5 Ų38.51%0.0119%0.186CC..Hα-helixtrans-64.9-38177-69.6169.6000112.1F410 I413 I414 L419 L426 K427 D428 M434 A491F410-L430 HydrophobicContact CD1-CD2 3.98Å; F410-L430 HydrophobicContact CE1-CD2 3.92Å; I413-L430 HydrophobicContact CG2-CD1 3.83Å; I413-L430 HydrophobicContact CG2-CD2 4.25Å; I414-L430 HydrophobicContact CD1-CB 4.07Å; I414-L430 HydrophobicContact CG1-CB 3.83Å; I414-L430 HydrophobicContact CG1-CD1 4.27Å; L419-L430 HydrophobicContact CD2-CD1 3.83Å; L426-L430 HydrophobicContact CD1-CD1 4.31Å; L426-L430 HydrophobicContact CD1-CG 4.22Å; L426-L430 HydrophobicContact CG-CD1 4.1Å; L426-L430 HydrophobicContact CG-CG 4.46Å; L426-L430 VanDerWaalsContact O-CG 3.25Å; L426-L430 WeakPolarHBondContact O-CG 3.46Å; L426-L430 PolarHBondContact O-N 3.25Å; K427-L430 PolarHBondContact O-N 2.91Å; D428-L430 PolarHBondContact O-N 3.34Å; L430-M434 VanDerWaalsContact O-CB 3.27Å; L430-M434 WeakPolarHBondContact O-CB 3.49Å; L430-M434 PolarHBondContact O-N 2.81Å; L430-A491 HydrophobicContact CD2-CB 4.49Å
431Y93.1Very high90Very high96 Ų9640 Ų4038%0.37619%0.187SC..Hα-helixtrans-65.4-40.5173.2-85.7-75.6000112I414 K427 D428 L429 M434 L435I414-Y431 HydrophobicContact CD1-CD1 4.19Å; I414-Y431 HydrophobicContact CD1-CD2 4.29Å; I414-Y431 HydrophobicContact CD1-CE1 4.2Å; I414-Y431 HydrophobicContact CD1-CE2 4.26Å; I414-Y431 HydrophobicContact CD1-CG 4.23Å; I414-Y431 HydrophobicContact CG2-CE2 3.75Å; I414-Y431 WeakPolarHBondContact CG2-OH 3.41Å; K427-Y431 HydrophobicContact CD-CE2 4.12Å; K427-Y431 HydrophobicContact CG-CD2 3.81Å; K427-Y431 HydrophobicContact CG-CE2 3.6Å; K427-Y431 WeakPolarHBondContact O-CD2 3.39Å; K427-Y431 PolarHBondContact O-N 3.07Å; D428-Y431 PolarHBondContact O-N 3.33Å; L429-Y431 PolarHBondContact O-N 3.18Å; Y431-M434 HydrophobicContact CD1-CE 3.37Å; Y431-M434 HydrophobicContact CE1-CE 3.69Å; Y431-M434 HydrophobicContact CG-CE 4.42Å; Y431-M434 PolarHBondContact O-N 3.08Å; Y431-L435 WeakPolarHBondContact O-CB 3.44Å; Y431-L435 PolarHBondContact O-N 3.05Å
432A93.5Very high91.5Very high4 Ų433.9 Ų33.93%0.03316%0.159CC..Hα-helixtrans-63.6-46.6176.300000111.5D428 L429 M434 L435 S436 L476D428-A432 PolarHBondContact O-N 2.97Å; L429-A432 PolarHBondContact O-N 3.23Å; A432-M434 PolarHBondContact O-N 3.28Å; A432-L435 PolarHBondContact O-N 3.04Å; A432-S436 PolarHBondContact O-N 2.61Å; A432-L476 HydrophobicContact CB-CD2 3.77Å; A432-L476 HydrophobicContact CB-CG 4.06Å
433K95.1Very high92.8Very high1 Ų128.9 Ų28.90%0.00413%0.132CC..Hα-helixtrans-62.5-39.7172.3-67.2-165.3-175-165.30111.9F410 L429 L435 S436 Y437 A491 P492 P494 L499F410-K433 HydrophobicContact CD1-CB 4.44Å; F410-K433 HydrophobicContact CE1-CB 3.82Å; F410-K433 HydrophobicContact CE1-CD 4.2Å; F410-K433 HydrophobicContact CZ-CB 4.05Å; F410-K433 HydrophobicContact CZ-CD 4.3Å; L429-K433 HydrophobicContact CD1-CG 4.33Å; L429-K433 WeakPolarHBondContact O-CG 3.47Å; L429-K433 PolarHBondContact O-N 3.05Å; K433-L435 VanDerWaalsContact C-N 3.31Å; K433-L435 PolarHBondContact O-N 3.41Å; K433-S436 PolarHBondContact O-N 3.1Å; K433-S436 PolarHBondContact O-OG 3.48Å; K433-Y437 HydrophobicContact CB-CE2 4.34Å; K433-Y437 WeakPolarHBondContact O-CD2 3.44Å; K433-Y437 PolarHBondContact O-N 3.19Å; K433-Y437 VanDerWaalsContact O-N 3.15Å; K433-A491 PolarHBondContact NZ-O 2.92Å; K433-P492 WeakPolarHBondContact CD-O 3.34Å; K433-P492 PolarHBondContact NZ-O 3.21Å; K433-P494 PolarHBondContact NZ-O 2.95Å; K433-L499 HydrophobicContact CB-CD2 4.34Å; K433-L499 HydrophobicContact CG-CD2 3.85Å
434M95.6Very high93.7Very high4 Ų426.8 Ų26.82%0.0212%0.123CC..Hα-helixtrans-63.4-39.9175-175.4-176.454.100111.4V407 F410 Q411 I414 L430 Y431 A432 Y437 R438V407-M434 HydrophobicContact CG1-CG 4.09Å; V407-M434 HydrophobicContact CG1-SD 4.41Å; F410-M434 HydrophobicContact CB-CB 3.95Å; F410-M434 HydrophobicContact CB-CG 4.05Å; F410-M434 HydrophobicContact CG-CB 4.41Å; Q411-M434 HydrophobicContact CB-SD 4.31Å; Q411-M434 PolarHBondContact OE1-SD 3.06Å; Q411-M434 VanDerWaalsContact OE1-SD 3.41Å; I414-M434 HydrophobicContact CD1-CE 4.17Å; I414-M434 HydrophobicContact CD1-SD 4.23Å; L430-M434 VanDerWaalsContact O-CB 3.27Å; L430-M434 WeakPolarHBondContact O-CB 3.49Å; L430-M434 PolarHBondContact O-N 2.81Å; Y431-M434 HydrophobicContact CD1-CE 3.37Å; Y431-M434 HydrophobicContact CE1-CE 3.69Å; Y431-M434 HydrophobicContact CG-CE 4.42Å; Y431-M434 PolarHBondContact O-N 3.08Å; A432-M434 PolarHBondContact O-N 3.28Å; M434-Y437 PolarHBondContact O-N 2.85Å; M434-R438 WeakPolarHBondContact O-CG 3.45Å; M434-R438 PolarHBondContact O-N 2.61Å; M434-R438 PolarHBondContact SD-NH2 2.98Å; M434-R438 VanDerWaalsContact SD-NH2 3.38Å
435L96.5Very high94.2Very high34 Ų3424.3 Ų24.318%0.17811%0.11CC..Hα-helixtrans-66.3-37.6178.6-17261.2000111.8Y431 A432 K433 R438 S439 H468 K471 A472Y431-L435 WeakPolarHBondContact O-CB 3.44Å; Y431-L435 PolarHBondContact O-N 3.05Å; A432-L435 PolarHBondContact O-N 3.04Å; K433-L435 VanDerWaalsContact C-N 3.31Å; K433-L435 PolarHBondContact O-N 3.41Å; L435-R438 WeakPolarHBondContact O-CB 3.2Å; L435-R438 PolarHBondContact O-N 3.05Å; L435-S439 PolarHBondContact O-N 3.45Å; L435-H468 HydrophobicContact CD1-CB 4.03Å; L435-H468 HydrophobicContact CG-CB 4.43Å; L435-K471 HydrophobicContact CD2-CB 3.77Å; L435-A472 HydrophobicContact CB-CB 4.25Å; L435-A472 HydrophobicContact CD2-CB 4.25Å; L435-A472 HydrophobicContact CG-CB 4.14Å
436S96.6Very high94.7Very high0 Ų024 Ų240%011%0.107CC..Hα-helixtrans-61.3-45.2172.672.30000111.5A432 K433 R438 S439 Y440 L499A432-S436 PolarHBondContact O-N 2.61Å; K433-S436 PolarHBondContact O-N 3.1Å; K433-S436 PolarHBondContact O-OG 3.48Å; S436-R438 VanDerWaalsContact C-N 3.28Å; S436-R438 PolarHBondContact O-N 3.28Å; S436-S439 PolarHBondContact O-N 3.2Å; S436-S439 VanDerWaalsContact O-N 3.15Å; S436-S439 PolarHBondContact O-OG 3.45Å; S436-Y440 WeakPolarHBondContact O-CD2 3.39Å; S436-Y440 PolarHBondContact O-N 2.99Å; S436-L499 WeakPolarHBondContact OG-CD2 3.24Å
437Y97.4Very high95.1Very high5 Ų524 Ų242%0.0211%0.108CC..Hα-helixtrans-70.5-26.1177.4-61.3-57.9000112.9L368 Y403 L406 F410 K433 M434 Y440 R441 P494 L499L368-Y437 HydrophobicContact CD2-CE1 3.63Å; Y403-Y437 AromaticContact CD1-CD1 3.92Å; Y403-Y437 HydrophobicContact CD1-CD1 3.92Å; Y403-Y437 AromaticContact CE1-CD1 3.92Å; Y403-Y437 HydrophobicContact CE1-CD1 3.92Å; Y403-Y437 HydrophobicContact CE1-CE1 4.5Å; L406-Y437 HydrophobicContact CB-CG 4.24Å; L406-Y437 HydrophobicContact CD1-CD1 3.76Å; L406-Y437 HydrophobicContact CD1-CE1 4.01Å; L406-Y437 HydrophobicContact CD1-CG 4.16Å; F410-Y437 AromaticContact CD2-CD2 3.73Å; F410-Y437 HydrophobicContact CD2-CD2 3.73Å; F410-Y437 HydrophobicContact CD2-CE2 4.05Å; F410-Y437 AromaticContact CE2-CD2 3.35Å; F410-Y437 HydrophobicContact CE2-CD2 3.35Å; F410-Y437 AromaticContact CE2-CE2 3.18Å; F410-Y437 HydrophobicContact CE2-CE2 3.18Å; F410-Y437 HydrophobicContact CZ-CD2 4.11Å; F410-Y437 AromaticContact CZ-CE2 3.58Å; F410-Y437 HydrophobicContact CZ-CE2 3.58Å; K433-Y437 HydrophobicContact CB-CE2 4.34Å; K433-Y437 WeakPolarHBondContact O-CD2 3.44Å; K433-Y437 PolarHBondContact O-N 3.19Å; K433-Y437 VanDerWaalsContact O-N 3.15Å; M434-Y437 PolarHBondContact O-N 2.85Å; Y437-Y440 HydrophobicContact CD1-CD2 4.31Å; Y437-R441 WeakPolarHBondContact O-CB 3.2Å; Y437-R441 PolarHBondContact O-N 3.03Å; Y437-P494 VanDerWaalsContact OH-CD 3.31Å; Y437-P494 WeakPolarHBondContact OH-CD 3.31Å; Y437-L499 HydrophobicContact CE1-CD1 4.46Å
438R97.3Very high95.3Very high76 Ų7621.2 Ų21.229%0.28710%0.097SC..Hα-helixtrans-65.9-35.7169.5-74.6177.2-178.6-175.22.5112.3V407 M434 L435 S436 R441 C442V407-R438 HydrophobicContact CB-CG 4.42Å; V407-R438 HydrophobicContact CG1-CG 3.79Å; V407-R438 HydrophobicContact CG2-CB 4.43Å; V407-R438 HydrophobicContact CG2-CG 3.64Å; M434-R438 WeakPolarHBondContact O-CG 3.45Å; M434-R438 PolarHBondContact O-N 2.61Å; M434-R438 PolarHBondContact SD-NH2 2.98Å; M434-R438 VanDerWaalsContact SD-NH2 3.38Å; L435-R438 WeakPolarHBondContact O-CB 3.2Å; L435-R438 PolarHBondContact O-N 3.05Å; S436-R438 VanDerWaalsContact C-N 3.28Å; S436-R438 PolarHBondContact O-N 3.28Å; R438-R441 PolarHBondContact O-N 3.12Å; R438-C442 PolarHBondContact O-N 3.14Å; R438-C442 PolarHBondContact O-SG 3.37Å
439S97.2Very high95.6Very high0 Ų022 Ų220%010%0.095CC..Hα-helixtrans-66.1-46.7175.367.30000111.2L435 S436 R441 C442 Y443 A465 L503 L506L435-S439 PolarHBondContact O-N 3.45Å; S436-S439 PolarHBondContact O-N 3.2Å; S436-S439 VanDerWaalsContact O-N 3.15Å; S436-S439 PolarHBondContact O-OG 3.45Å; S439-R441 PolarHBondContact O-N 3.06Å; S439-C442 WeakPolarHBondContact O-CB 3.25Å; S439-C442 PolarHBondContact O-N 3.01Å; S439-Y443 PolarHBondContact O-N 2.85Å; S439-A465 VanDerWaalsContact CB-O 3.24Å; S439-A465 WeakPolarHBondContact CB-O 3.3Å; S439-A465 WeakPolarHBondContact O-CB 3.4Å; S439-L503 WeakPolarHBondContact OG-CD2 3.45Å; S439-L506 WeakPolarHBondContact OG-CD2 3.37Å
440Y97.5Very high95.6Very high4 Ų423.2 Ų23.22%0.01610%0.102CC..Hα-helixtrans-58.9-44.1173.4-72.1-73.1000112.5L388 Y403 S436 Y437 C442 Y443 Y444 S502 L503 L506L388-Y440 HydrophobicContact CD2-CD1 4.12Å; L388-Y440 HydrophobicContact CD2-CE1 3.64Å; Y403-Y440 VanDerWaalsContact CD1-CB 3.4Å; Y403-Y440 HydrophobicContact CD1-CD2 4.42Å; Y403-Y440 HydrophobicContact CD1-CG 4.1Å; Y403-Y440 HydrophobicContact CE1-CD1 4.21Å; Y403-Y440 AromaticContact CE1-CD2 3.83Å; Y403-Y440 HydrophobicContact CE1-CD2 3.83Å; Y403-Y440 AromaticContact CE1-CG 3.53Å; Y403-Y440 HydrophobicContact CE1-CG 3.53Å; Y403-Y440 AromaticContact CZ-CD1 4Å; Y403-Y440 AromaticContact CZ-CG 3.77Å; S436-Y440 WeakPolarHBondContact O-CD2 3.39Å; S436-Y440 PolarHBondContact O-N 2.99Å; Y437-Y440 HydrophobicContact CD1-CD2 4.31Å; Y440-C442 VanDerWaalsContact C-N 3.31Å; Y440-C442 PolarHBondContact O-N 3.37Å; Y440-Y443 WeakPolarHBondContact O-CB 3.41Å; Y440-Y443 PolarHBondContact O-N 3.11Å; Y440-Y443 VanDerWaalsContact O-N 3.16Å; Y440-Y444 HydrophobicContact CD1-CE2 4.22Å; Y440-Y444 WeakPolarHBondContact O-CD2 3.35Å; Y440-Y444 PolarHBondContact O-N 3.21Å; Y440-S502 VanDerWaalsContact OH-CB 3.29Å; Y440-S502 WeakPolarHBondContact OH-CB 3.41Å; Y440-S502 PolarHBondContact OH-O 2.86Å; Y440-S502 PolarHBondContact OH-OG 2.92Å; Y440-L503 HydrophobicContact CE2-CD2 3.82Å; Y440-L503 PolarHBondContact OH-N 3.09Å; Y440-L506 HydrophobicContact CD1-CD1 3.75Å; Y440-L506 HydrophobicContact CD1-CD2 3.7Å; Y440-L506 HydrophobicContact CD1-CG 4.21Å; Y440-L506 HydrophobicContact CD2-CD2 4.29Å; Y440-L506 HydrophobicContact CE1-CB 3.87Å; Y440-L506 HydrophobicContact CE1-CD1 3.78Å; Y440-L506 HydrophobicContact CE1-CD2 3.68Å; Y440-L506 HydrophobicContact CE1-CG 3.97Å; Y440-L506 HydrophobicContact CE2-CD2 4.27Å; Y440-L506 HydrophobicContact CG-CD2 3.99Å
441R96.9Very high95.5Very high72 Ų7226 Ų2627%0.27212%0.121SC..Hα-helixtrans-56.5-46.4175.5-174.9-175.266.7-1770.3111.4D404 Y437 R438 S439 L445D404-R441 HydrophobicContact CB-CG 4.35Å; D404-R441 WeakPolarHBondContact OD1-CD 3.4Å; D404-R441 IonicContact OD1-CZ 3.61Å; D404-R441 IonicContact OD1-NE 2.69Å; D404-R441 IonicContact OD1-NH1 2.7Å; D404-R441 PolarHBondContact OD1-NH1 3.27Å; Y437-R441 WeakPolarHBondContact O-CB 3.2Å; Y437-R441 PolarHBondContact O-N 3.03Å; R438-R441 PolarHBondContact O-N 3.12Å; S439-R441 PolarHBondContact O-N 3.06Å; R441-L445 WeakPolarHBondContact O-CB 3.34Å; R441-L445 PolarHBondContact O-N 3.39Å
442C96.6Very high95.4Very high8 Ų824.8 Ų24.85%0.05413%0.127CC..Hα-helixtrans-62.4-41.9176.6-770000112R438 S439 Y440 L445 A446 A465R438-C442 PolarHBondContact O-N 3.14Å; R438-C442 PolarHBondContact O-SG 3.37Å; S439-C442 WeakPolarHBondContact O-CB 3.25Å; S439-C442 PolarHBondContact O-N 3.01Å; Y440-C442 VanDerWaalsContact C-N 3.31Å; Y440-C442 PolarHBondContact O-N 3.37Å; C442-L445 PolarHBondContact O-N 2.97Å; C442-A446 WeakPolarHBondContact O-CB 3.36Å; C442-A446 PolarHBondContact O-N 3.23Å; C442-A465 HydrophobicContact CB-CB 3.81Å
443Y97.7Very high95.2Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-60-55176.8171.6-98.7000112.3A389 S439 Y440 L445 A446 L447 L462 L506 Q509 A510 E513A389-Y443 WeakPolarHBondContact O-CE1 3.3Å; A389-Y443 PolarHBondContact O-OH 3.5Å; S439-Y443 PolarHBondContact O-N 2.85Å; Y440-Y443 WeakPolarHBondContact O-CB 3.41Å; Y440-Y443 PolarHBondContact O-N 3.11Å; Y440-Y443 VanDerWaalsContact O-N 3.16Å; Y443-L445 VanDerWaalsContact C-N 3.29Å; Y443-L445 PolarHBondContact O-N 3.39Å; Y443-A446 WeakPolarHBondContact O-CA 3.44Å; Y443-A446 VanDerWaalsContact O-CB 3.28Å; Y443-A446 WeakPolarHBondContact O-CB 3.29Å; Y443-A446 PolarHBondContact O-N 2.98Å; Y443-L447 HydrophobicContact CD1-CD1 4.36Å; Y443-L447 HydrophobicContact CE1-CD1 3.67Å; Y443-L447 HydrophobicContact CE1-CG 4.31Å; Y443-L447 HydrophobicContact CE2-CD2 4.42Å; Y443-L447 PolarHBondContact O-N 3.39Å; Y443-L462 HydrophobicContact CD2-CD2 3.76Å; Y443-L462 HydrophobicContact CE2-CD2 4.21Å; Y443-L506 HydrophobicContact CD1-CD1 3.81Å; Y443-L506 HydrophobicContact CD2-CD1 3.86Å; Y443-L506 HydrophobicContact CE1-CD1 4.36Å; Y443-L506 HydrophobicContact CE2-CD1 4.39Å; Y443-L506 HydrophobicContact CG-CD1 3.54Å; Y443-Q509 HydrophobicContact CE2-CG 4.15Å; Y443-Q509 VanDerWaalsContact OH-CG 3.25Å; Y443-Q509 WeakPolarHBondContact OH-CG 3.36Å; Y443-A510 HydrophobicContact CD2-CB 3.97Å; Y443-A510 HydrophobicContact CE2-CB 4.33Å; Y443-E513 HydrophobicContact CE2-CG 4.08Å
444Y97.1Very high95.1Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-67.7-30179.9-69.5-69.1000112.9I375 A389 L399 Y403 Y440 L447 A448I375-Y444 WeakPolarHBondContact CD1-OH 3.22Å; A389-Y444 HydrophobicContact CB-CE1 3.83Å; L399-Y444 HydrophobicContact CB-CD1 3.72Å; L399-Y444 HydrophobicContact CB-CD2 4.14Å; L399-Y444 HydrophobicContact CB-CE1 4.07Å; L399-Y444 HydrophobicContact CB-CG 3.75Å; L399-Y444 HydrophobicContact CD1-CD1 3.68Å; L399-Y444 HydrophobicContact CD1-CE1 3.32Å; L399-Y444 HydrophobicContact CG-CD1 4.35Å; L399-Y444 HydrophobicContact CG-CE1 4.29Å; Y403-Y444 AromaticContact CD2-CD2 3.47Å; Y403-Y444 HydrophobicContact CD2-CD2 3.47Å; Y403-Y444 VanDerWaalsContact CD2-CD2 3.47Å; Y403-Y444 AromaticContact CD2-CE2 3.66Å; Y403-Y444 HydrophobicContact CD2-CE2 3.66Å; Y403-Y444 AromaticContact CE2-CD2 3.44Å; Y403-Y444 HydrophobicContact CE2-CD2 3.44Å; Y403-Y444 VanDerWaalsContact CE2-CD2 3.44Å; Y403-Y444 AromaticContact CE2-CE2 3.07Å; Y403-Y444 HydrophobicContact CE2-CE2 3.07Å; Y403-Y444 AromaticContact CZ-CE2 3.79Å; Y440-Y444 HydrophobicContact CD1-CE2 4.22Å; Y440-Y444 WeakPolarHBondContact O-CD2 3.35Å; Y440-Y444 PolarHBondContact O-N 3.21Å; Y444-L447 HydrophobicContact CD1-CD1 4.09Å; Y444-L447 HydrophobicContact CE1-CD1 4.49Å; Y444-L447 PolarHBondContact O-N 3.22Å; Y444-A448 PolarHBondContact O-N 3.05Å; Y444-A448 VanDerWaalsContact O-N 3.16Å
445L96.1Very high94.9Very high63 Ų6336.6 Ų36.633%0.3318%0.176SC..Hα-helixtrans-65.1-41170.6-174.163.6000111.1R441 C442 Y443 L447 A448 Y449 L461R441-L445 WeakPolarHBondContact O-CB 3.34Å; R441-L445 PolarHBondContact O-N 3.39Å; C442-L445 PolarHBondContact O-N 2.97Å; Y443-L445 VanDerWaalsContact C-N 3.29Å; Y443-L445 PolarHBondContact O-N 3.39Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 2.94Å; L445-A448 WeakPolarHBondContact O-CB 3.35Å; L445-A448 PolarHBondContact O-N 3.1Å; L445-A448 VanDerWaalsContact O-N 3.16Å; L445-Y449 HydrophobicContact CD1-CD2 4.39Å; L445-Y449 HydrophobicContact CD1-CE2 3.97Å; L445-Y449 HydrophobicContact CD2-CE2 4.32Å; L445-Y449 HydrophobicContact CG-CD2 4.12Å; L445-Y449 HydrophobicContact CG-CE2 3.84Å; L445-Y449 VanDerWaalsContact O-CD2 3.26Å; L445-Y449 WeakPolarHBondContact O-CD2 3.47Å; L445-Y449 PolarHBondContact O-N 3.37Å; L445-Y449 VanDerWaalsContact O-N 3.13Å; L445-L461 HydrophobicContact CB-CD1 4.45Å; L445-L461 HydrophobicContact CD2-CD1 4.06Å; L445-L461 HydrophobicContact CD2-CD2 4.28Å; L445-L461 HydrophobicContact CG-CD1 3.92Å
446A95.9Very high94.7Very high0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-59.7-44.4174.900000111.8C442 Y443 A448 Y449 N450 C458 L461 L462C442-A446 WeakPolarHBondContact O-CB 3.36Å; C442-A446 PolarHBondContact O-N 3.23Å; Y443-A446 WeakPolarHBondContact O-CA 3.44Å; Y443-A446 VanDerWaalsContact O-CB 3.28Å; Y443-A446 WeakPolarHBondContact O-CB 3.29Å; Y443-A446 PolarHBondContact O-N 2.98Å; A446-A448 VanDerWaalsContact C-N 3.26Å; A446-A448 PolarHBondContact O-N 3.33Å; A446-Y449 CarbonylContact O-C 3.45Å; A446-Y449 WeakPolarHBondContact O-CA 3.47Å; A446-Y449 WeakPolarHBondContact O-CB 3.34Å; A446-Y449 PolarHBondContact O-N 3.16Å; A446-N450 PolarHBondContact O-N 2.9Å; A446-C458 PolarHBondContact O-SG 2.82Å; A446-C458 VanDerWaalsContact O-SG 3.34Å; A446-L461 HydrophobicContact CB-CB 3.65Å; A446-L462 HydrophobicContact CB-CD2 3.73Å; A446-L462 HydrophobicContact CB-CG 3.68Å
447L94.9Very high94.6Very high2 Ų244 Ų441%0.0122%0.218CC..Hα-helixtrans-59.2-37.3175.6-59.5-172.8000112.2A389 P396 Y443 Y444 L445 Y449 N450 C451 E513A389-L447 WeakPolarHBondContact O-CD1 3.35Å; P396-L447 HydrophobicContact CB-CB 3.73Å; P396-L447 HydrophobicContact CG-CB 4.19Å; Y443-L447 HydrophobicContact CD1-CD1 4.36Å; Y443-L447 HydrophobicContact CE1-CD1 3.67Å; Y443-L447 HydrophobicContact CE1-CG 4.31Å; Y443-L447 HydrophobicContact CE2-CD2 4.42Å; Y443-L447 PolarHBondContact O-N 3.39Å; Y444-L447 HydrophobicContact CD1-CD1 4.09Å; Y444-L447 HydrophobicContact CE1-CD1 4.49Å; Y444-L447 PolarHBondContact O-N 3.22Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 2.94Å; L447-Y449 PolarHBondContact O-N 3.09Å; L447-N450 WeakPolarHBondContact O-CB 3.15Å; L447-N450 PolarHBondContact O-N 3.43Å; L447-C451 PolarHBondContact O-N 3.05Å; L447-C451 PolarHBondContact O-SG 3.09Å; L447-E513 HydrophobicContact CD2-CB 4.45Å; L447-E513 HydrophobicContact CD2-CG 4.23Å
448A93.8Very high94.5Very high8 Ų843.8 Ų43.87%0.06622%0.217CC..Hα-helixtrans-64.3-37.9174.400000113.1P396 Q397 Y444 L445 A446 N450 S452P396-A448 HydrophobicContact CB-CB 4.4Å; P396-A448 VanDerWaalsContact CG-CA 3.48Å; P396-A448 HydrophobicContact CG-CB 3.84Å; Q397-A448 HydrophobicContact CG-CB 3.8Å; Y444-A448 PolarHBondContact O-N 3.05Å; Y444-A448 VanDerWaalsContact O-N 3.16Å; L445-A448 WeakPolarHBondContact O-CB 3.35Å; L445-A448 PolarHBondContact O-N 3.1Å; L445-A448 VanDerWaalsContact O-N 3.16Å; A446-A448 VanDerWaalsContact C-N 3.26Å; A446-A448 PolarHBondContact O-N 3.33Å; A448-N450 VanDerWaalsContact C-N 3.35Å; A448-S452 PolarHBondContact O-N 3.1Å; A448-S452 PolarHBondContact O-OG 2.98Å
449Y94.5Very high94.4Very high82 Ų8241.4 Ų41.432%0.32221%0.212SC..Hα-helixtrans-67.6-35.8172.1-80.7-77.7000111.8L445 A446 L447 S452 K453 K454 E457 L461L445-Y449 HydrophobicContact CD1-CD2 4.39Å; L445-Y449 HydrophobicContact CD1-CE2 3.97Å; L445-Y449 HydrophobicContact CD2-CE2 4.32Å; L445-Y449 HydrophobicContact CG-CD2 4.12Å; L445-Y449 HydrophobicContact CG-CE2 3.84Å; L445-Y449 VanDerWaalsContact O-CD2 3.26Å; L445-Y449 WeakPolarHBondContact O-CD2 3.47Å; L445-Y449 PolarHBondContact O-N 3.37Å; L445-Y449 VanDerWaalsContact O-N 3.13Å; A446-Y449 CarbonylContact O-C 3.45Å; A446-Y449 WeakPolarHBondContact O-CA 3.47Å; A446-Y449 WeakPolarHBondContact O-CB 3.34Å; A446-Y449 PolarHBondContact O-N 3.16Å; L447-Y449 PolarHBondContact O-N 3.09Å; Y449-S452 CarbonylContact O-C 3.55Å; Y449-S452 WeakPolarHBondContact O-CA 3.47Å; Y449-S452 WeakPolarHBondContact O-CB 3.41Å; Y449-S452 PolarHBondContact O-N 2.91Å; Y449-K453 PolarHBondContact O-N 3.49Å; Y449-K454 HydrophobicContact CD1-CB 3.86Å; Y449-K454 HydrophobicContact CD1-CD 3.81Å; Y449-K454 HydrophobicContact CD1-CG 4.46Å; Y449-K454 HydrophobicContact CE1-CD 4.08Å; Y449-K454 PolarHBondContact O-N 2.96Å; Y449-E457 HydrophobicContact CD1-CB 3.91Å; Y449-E457 HydrophobicContact CE1-CB 4.24Å; Y449-E457 HydrophobicContact CG-CB 4.14Å; Y449-L461 HydrophobicContact CD2-CD1 3.36Å; Y449-L461 HydrophobicContact CE2-CD1 3.57Å; Y449-L461 HydrophobicContact CG-CD1 4.38Å
450N92.3Very high94.3Very high26 Ų2644.3 Ų44.314%0.13924%0.236CC..Hα-helixtrans-61.7-46.5173.8-164.862.7000111.9S391 A446 L447 A448 S452 K453 C458S391-N450 WeakPolarHBondContact CB-ND2 3.49Å; A446-N450 PolarHBondContact O-N 2.9Å; L447-N450 WeakPolarHBondContact O-CB 3.15Å; L447-N450 PolarHBondContact O-N 3.43Å; A448-N450 VanDerWaalsContact C-N 3.35Å; N450-S452 PolarHBondContact O-N 3.32Å; N450-S452 VanDerWaalsContact O-N 3.12Å; N450-K453 PolarHBondContact O-N 2.69Å; N450-C458 HydrophobicContact CB-CB 4.47Å
451C90Very high94.3Very high61 Ų6145.4 Ų45.441%0.41224%0.242SC..Hα-helixtrans-59.6-24.2173.7-61.10000112.9L447L447-C451 PolarHBondContact O-N 3.05Å; L447-C451 PolarHBondContact O-SG 3.09Å
452S91Very high94.3Very high71 Ų7142 Ų4250%0.49723%0.229SC..THydrogen-bonded Turntrans-92.59.9177.3-50.40000113.3A448 Y449 N450 K454A448-S452 PolarHBondContact O-N 3.1Å; A448-S452 PolarHBondContact O-OG 2.98Å; Y449-S452 CarbonylContact O-C 3.55Å; Y449-S452 WeakPolarHBondContact O-CA 3.47Å; Y449-S452 WeakPolarHBondContact O-CB 3.41Å; Y449-S452 PolarHBondContact O-N 2.91Å; N450-S452 PolarHBondContact O-N 3.32Å; N450-S452 VanDerWaalsContact O-N 3.12Å; S452-K454 PolarHBondContact O-N 3.29Å; S452-K454 VanDerWaalsContact O-N 3.15Å
453K89.4Confident94.3Very high122 Ų12244.6 Ų44.653%0.5325%0.245SC..THydrogen-bonded Turntrans56.222.8-175.4-60.1-173.8162.9-132.10114.9Y449 N450 Y455 D524Y449-K453 PolarHBondContact O-N 3.49Å; N450-K453 PolarHBondContact O-N 2.69Å; K453-Y455 HydrophobicContact CB-CE2 4.06Å; K453-Y455 WeakPolarHBondContact O-CD2 3.25Å; K453-Y455 PolarHBondContact O-N 3.08Å; K453-D524 WeakPolarHBondContact CD-OD2 3.28Å; K453-D524 VanDerWaalsContact NZ-CG 3.29Å; K453-D524 IonicContact NZ-OD1 3.4Å; K453-D524 PolarHBondContact NZ-OD1 2.91Å; K453-D524 IonicContact NZ-OD2 3.72Å; K453-D524 PolarHBondContact NZ-OD2 3.39Å
454K92.3Very high94.3Very high103 Ų10351.1 Ų51.145%0.44827%0.27SS..  trans-94.173176.4-71.5-175177.8-174.10110.4Y449 S452 T456 C458Y449-K454 HydrophobicContact CD1-CB 3.86Å; Y449-K454 HydrophobicContact CD1-CD 3.81Å; Y449-K454 HydrophobicContact CD1-CG 4.46Å; Y449-K454 HydrophobicContact CE1-CD 4.08Å; Y449-K454 PolarHBondContact O-N 2.96Å; S452-K454 PolarHBondContact O-N 3.29Å; S452-K454 VanDerWaalsContact O-N 3.15Å; K454-T456 PolarHBondContact O-N 3.25Å; K454-C458 WeakPolarHBondContact O-CB 3.38Å; K454-C458 PolarHBondContact O-N 3.02Å; K454-C458 VanDerWaalsContact O-N 3.07Å
455Y93.1Very high94.3Very high31 Ų3151.1 Ų51.112%0.12227%0.27CS..Hα-helixtrans-68-32.5-170.2-56.1-66.3000114.1K453 C458 S459 C517 A520 D524K453-Y455 HydrophobicContact CB-CE2 4.06Å; K453-Y455 WeakPolarHBondContact O-CD2 3.25Å; K453-Y455 PolarHBondContact O-N 3.08Å; Y455-C458 PolarHBondContact O-N 3.39Å; Y455-S459 PolarHBondContact O-N 2.86Å; Y455-C517 PolarHBondContact O-SG 3.31Å; Y455-C517 VanDerWaalsContact O-SG 3.38Å; Y455-A520 HydrophobicContact CD1-CB 4.36Å; Y455-A520 HydrophobicContact CE1-CB 3.68Å; Y455-D524 HydrophobicContact CE2-CB 4.09Å; Y455-D524 WeakPolarHBondContact CE2-OD2 2.76Å; Y455-D524 VanDerWaalsContact CZ-OD2 3.28Å; Y455-D524 VanDerWaalsContact OH-CG 3.3Å; Y455-D524 PolarHBondContact OH-OD2 3.35Å
456T92.3Very high94.4Very high112 Ų11249.2 Ų49.269%0.68726%0.26SS*.Hα-helixtrans-63.7-46.7178.334.50000112.2K454 A460K454-T456 PolarHBondContact O-N 3.25Å; T456-A460 WeakPolarHBondContact O-CB 3.2Å; T456-A460 PolarHBondContact O-N 2.76Å; T456-A460 VanDerWaalsContact O-N 3.15Å
457E94.2Very high94.4Very high77 Ų7753.8 Ų53.836%0.3628%0.281SS..Hα-helixtrans-70-37.1177.7-64.892.2140.600111.1Y449 L461Y449-E457 HydrophobicContact CD1-CB 3.91Å; Y449-E457 HydrophobicContact CE1-CB 4.24Å; Y449-E457 HydrophobicContact CG-CB 4.14Å; E457-L461 WeakPolarHBondContact O-CB 3.4Å; E457-L461 VanDerWaalsContact O-CG 3.31Å; E457-L461 WeakPolarHBondContact O-CG 3.36Å; E457-L461 PolarHBondContact O-N 3.3Å
458C94.2Very high94.6Very high1 Ų155.1 Ų55.11%0.00729%0.287CS..Hα-helixtrans-57.7-56.6174.1179.10000111.4A446 N450 K454 Y455 A460 L461 L462A446-C458 PolarHBondContact O-SG 2.82Å; A446-C458 VanDerWaalsContact O-SG 3.34Å; N450-C458 HydrophobicContact CB-CB 4.47Å; K454-C458 WeakPolarHBondContact O-CB 3.38Å; K454-C458 PolarHBondContact O-N 3.02Å; K454-C458 VanDerWaalsContact O-N 3.07Å; Y455-C458 PolarHBondContact O-N 3.39Å; C458-A460 VanDerWaalsContact C-N 3.33Å; C458-A460 PolarHBondContact O-N 3.33Å; C458-L461 PolarHBondContact O-N 2.97Å; C458-L461 VanDerWaalsContact O-N 3.11Å; C458-L462 WeakPolarHBondContact O-CG 3.21Å; C458-L462 PolarHBondContact O-N 3.24Å
459S94.7Very high94.7Very high26 Ų2654.8 Ų54.818%0.18228%0.284CS..Hα-helixtrans-60.5-40-179.2-177.60000112.6Y455 L461 L462 T463 D514Y455-S459 PolarHBondContact O-N 2.86Å; S459-L461 PolarHBondContact O-N 3.43Å; S459-L462 PolarHBondContact O-N 3.1Å; S459-T463 WeakPolarHBondContact O-CB 3.5Å; S459-T463 PolarHBondContact O-N 3.26Å; S459-T463 PolarHBondContact O-OG1 3.43Å; S459-D514 WeakPolarHBondContact CA-OD1 3.45Å; S459-D514 VanDerWaalsContact CB-OD1 3.29Å; S459-D514 WeakPolarHBondContact CB-OD1 3.5Å; S459-D514 PolarHBondContact OG-OD1 3.47Å
460A96.4Very high94.8Very high61 Ų6155.3 Ų55.350%0.50429%0.289SS..Hα-helixtrans-63-40.5175.300000112.5T456 C458 R464T456-A460 WeakPolarHBondContact O-CB 3.2Å; T456-A460 PolarHBondContact O-N 2.76Å; T456-A460 VanDerWaalsContact O-N 3.15Å; C458-A460 VanDerWaalsContact C-N 3.33Å; C458-A460 PolarHBondContact O-N 3.33Å; A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 PolarHBondContact O-N 2.9Å
461L96.9Very high95Very high28 Ų2859.9 Ų59.915%0.14731%0.308CS..Hα-helixtrans-71.7-35.9177.2-76.2169.6000112.9L445 A446 Y449 E457 C458 S459 R464 A465L445-L461 HydrophobicContact CB-CD1 4.45Å; L445-L461 HydrophobicContact CD2-CD1 4.06Å; L445-L461 HydrophobicContact CD2-CD2 4.28Å; L445-L461 HydrophobicContact CG-CD1 3.92Å; A446-L461 HydrophobicContact CB-CB 3.65Å; Y449-L461 HydrophobicContact CD2-CD1 3.36Å; Y449-L461 HydrophobicContact CE2-CD1 3.57Å; Y449-L461 HydrophobicContact CG-CD1 4.38Å; E457-L461 WeakPolarHBondContact O-CB 3.4Å; E457-L461 VanDerWaalsContact O-CG 3.31Å; E457-L461 WeakPolarHBondContact O-CG 3.36Å; E457-L461 PolarHBondContact O-N 3.3Å; C458-L461 PolarHBondContact O-N 2.97Å; C458-L461 VanDerWaalsContact O-N 3.11Å; S459-L461 PolarHBondContact O-N 3.43Å; L461-R464 PolarHBondContact O-N 2.9Å; L461-A465 WeakPolarHBondContact O-CB 3.47Å; L461-A465 PolarHBondContact O-N 3.45Å
462L97.1Very high95.2Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-63.8-46.8173.5-70.8172000111Y443 A446 C458 S459 R464 A465 I466 A510 E513 D514Y443-L462 HydrophobicContact CD2-CD2 3.76Å; Y443-L462 HydrophobicContact CE2-CD2 4.21Å; A446-L462 HydrophobicContact CB-CD2 3.73Å; A446-L462 HydrophobicContact CB-CG 3.68Å; C458-L462 WeakPolarHBondContact O-CG 3.21Å; C458-L462 PolarHBondContact O-N 3.24Å; S459-L462 PolarHBondContact O-N 3.1Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 2.9Å; L462-A465 WeakPolarHBondContact O-CB 3.2Å; L462-A465 PolarHBondContact O-N 2.86Å; L462-I466 WeakPolarHBondContact O-CG1 3.39Å; L462-I466 PolarHBondContact O-N 3.24Å; L462-A510 HydrophobicContact CD2-CB 4.24Å; L462-E513 HydrophobicContact CD1-CB 4.12Å; L462-E513 HydrophobicContact CD2-CB 4.37Å; L462-D514 HydrophobicContact CB-CB 4.36Å; L462-D514 HydrophobicContact CD1-CB 3.88Å
463T96.6Very high95.3Very high62 Ų6254.4 Ų54.438%0.3827%0.269SS..Hα-helixtrans-56.5-43.4173.9-570000111.1S459 I466 Q467S459-T463 WeakPolarHBondContact O-CB 3.5Å; S459-T463 PolarHBondContact O-N 3.26Å; S459-T463 PolarHBondContact O-OG1 3.43Å; T463-I466 PolarHBondContact O-N 3.24Å; T463-Q467 WeakPolarHBondContact O-CG 3.5Å; T463-Q467 PolarHBondContact O-N 3.47Å
464R97.2Very high95.5Very high138 Ų13852 Ų5252%0.52127%0.266SS..Hα-helixtrans-66.6-36.4176.3-171.8174.3-172.4171.7-0112.7A460 L461 L462 H468A460-R464 WeakPolarHBondContact O-CB 3.4Å; A460-R464 PolarHBondContact O-N 2.9Å; L461-R464 PolarHBondContact O-N 2.9Å; L462-R464 VanDerWaalsContact C-N 3.26Å; L462-R464 PolarHBondContact O-N 2.9Å; R464-H468 PolarHBondContact NE-NE2 3.2Å; R464-H468 PolarHBondContact O-CD2 2.81Å; R464-H468 PolarHBondContact O-N 3.47Å
465A97Very high95.4Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-62.6-45.7175.700000110.7S439 C442 L461 L462 H468 A469S439-A465 VanDerWaalsContact CB-O 3.24Å; S439-A465 WeakPolarHBondContact CB-O 3.3Å; S439-A465 WeakPolarHBondContact O-CB 3.4Å; C442-A465 HydrophobicContact CB-CB 3.81Å; L461-A465 WeakPolarHBondContact O-CB 3.47Å; L461-A465 PolarHBondContact O-N 3.45Å; L462-A465 WeakPolarHBondContact O-CB 3.2Å; L462-A465 PolarHBondContact O-N 2.86Å; A465-H468 PolarHBondContact O-N 3.44Å; A465-A469 WeakPolarHBondContact O-CB 3.43Å; A465-A469 PolarHBondContact O-N 3.19Å
466I97.7Very high95.3Very high23 Ų2348.5 Ų48.512%0.11826%0.258CS..Hα-helixtrans-58.9-52.1175.8-66.3162.9000110.4L462 T463 H468 A469 E470 I507 A510 E511L462-I466 WeakPolarHBondContact O-CG1 3.39Å; L462-I466 PolarHBondContact O-N 3.24Å; T463-I466 PolarHBondContact O-N 3.24Å; I466-H468 VanDerWaalsContact C-N 3.29Å; I466-H468 PolarHBondContact O-N 2.87Å; I466-A469 WeakPolarHBondContact O-CA 3.43Å; I466-A469 WeakPolarHBondContact O-CB 3.42Å; I466-A469 PolarHBondContact O-N 3.13Å; I466-E470 HydrophobicContact CG2-CG 4.22Å; I466-E470 WeakPolarHBondContact O-CG 3.48Å; I466-E470 PolarHBondContact O-N 3.11Å; I466-I507 HydrophobicContact CG2-CG2 4.2Å; I466-A510 HydrophobicContact CD1-CB 4.07Å; I466-A510 HydrophobicContact CG1-CB 3.7Å; I466-E511 HydrophobicContact CD1-CG 3.7Å
467Q97.4Very high95.1Very high95 Ų9547.1 Ų47.144%0.44424%0.244SC..Hα-helixtrans-57.5-39.7179.3-72175.5-0.100113.4T463 K471T463-Q467 WeakPolarHBondContact O-CG 3.5Å; T463-Q467 PolarHBondContact O-N 3.47Å; Q467-K471 WeakPolarHBondContact O-CB 3.42Å; Q467-K471 WeakPolarHBondContact O-CD 3.49Å; Q467-K471 VanDerWaalsContact O-CG 3.25Å; Q467-K471 WeakPolarHBondContact O-CG 3.23Å; Q467-K471 PolarHBondContact O-N 3.34Å
468H97.5Very high94.3Very high31 Ų3148.5 Ų48.514%0.14425%0.25CS..Hα-helixtrans-70.3-38.6175.9-73.7-33.1000111.7L435 R464 A465 I466 A472L435-H468 HydrophobicContact CD1-CB 4.03Å; L435-H468 HydrophobicContact CG-CB 4.43Å; R464-H468 PolarHBondContact NE-NE2 3.2Å; R464-H468 PolarHBondContact O-CD2 2.81Å; R464-H468 PolarHBondContact O-N 3.47Å; A465-H468 PolarHBondContact O-N 3.44Å; I466-H468 VanDerWaalsContact C-N 3.29Å; I466-H468 PolarHBondContact O-N 2.87Å; H468-A472 VanDerWaalsContact O-CB 3.28Å; H468-A472 WeakPolarHBondContact O-CB 3.41Å; H468-A472 PolarHBondContact O-N 3.18Å
469A96.6Very high93.4Very high0 Ų054 Ų540%029%0.289CS..Hα-helixtrans-65.6-46.4178.200000111.5A465 I466 K471 A472 V473 L503 L506 I507A465-A469 WeakPolarHBondContact O-CB 3.43Å; A465-A469 PolarHBondContact O-N 3.19Å; I466-A469 WeakPolarHBondContact O-CA 3.43Å; I466-A469 WeakPolarHBondContact O-CB 3.42Å; I466-A469 PolarHBondContact O-N 3.13Å; A469-K471 PolarHBondContact O-N 3.25Å; A469-A472 PolarHBondContact O-N 2.98Å; A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.47Å; A469-L503 HydrophobicContact CB-CD2 3.99Å; A469-L506 HydrophobicContact CB-CD2 4.37Å; A469-I507 HydrophobicContact CB-CD1 3.9Å; A469-I507 HydrophobicContact CB-CG1 3.56Å
470E97Very high92.5Very high93 Ų9357.6 Ų57.644%0.43531%0.305SS..Hα-helixtrans-58.8-48.9176.3-69.8172.215700111.4I466 A472 V473 T474 I507I466-E470 HydrophobicContact CG2-CG 4.22Å; I466-E470 WeakPolarHBondContact O-CG 3.48Å; I466-E470 PolarHBondContact O-N 3.11Å; E470-A472 VanDerWaalsContact C-N 3.29Å; E470-A472 PolarHBondContact O-N 3.07Å; E470-V473 PolarHBondContact O-N 3.29Å; E470-T474 PolarHBondContact O-N 2.82Å; E470-T474 PolarHBondContact O-OG1 3.41Å; E470-I507 HydrophobicContact CG-CD1 3.87Å
471K95.5Very high91.5Very high123 Ų12356 Ų5654%0.53529%0.29SS..Hα-helixtrans-60-39.5176.2-73.7174.2-176.6177.10112.3L435 Q467 A469 S475L435-K471 HydrophobicContact CD2-CB 3.77Å; Q467-K471 WeakPolarHBondContact O-CB 3.42Å; Q467-K471 WeakPolarHBondContact O-CD 3.49Å; Q467-K471 VanDerWaalsContact O-CG 3.25Å; Q467-K471 WeakPolarHBondContact O-CG 3.23Å; Q467-K471 PolarHBondContact O-N 3.34Å; A469-K471 PolarHBondContact O-N 3.25Å; K471-S475 WeakPolarHBondContact O-CB 3.3Å; K471-S475 PolarHBondContact O-N 3.06Å; K471-S475 PolarHBondContact O-OG 3.15Å
472A94.6Very high90.8Very high0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-67.5-42.2176.800000111.4L435 H468 A469 E470 S475 L476 L503L435-A472 HydrophobicContact CB-CB 4.25Å; L435-A472 HydrophobicContact CD2-CB 4.25Å; L435-A472 HydrophobicContact CG-CB 4.14Å; H468-A472 VanDerWaalsContact O-CB 3.28Å; H468-A472 WeakPolarHBondContact O-CB 3.41Å; H468-A472 PolarHBondContact O-N 3.18Å; A469-A472 PolarHBondContact O-N 2.98Å; E470-A472 VanDerWaalsContact C-N 3.29Å; E470-A472 PolarHBondContact O-N 3.07Å; A472-S475 PolarHBondContact O-N 2.86Å; A472-L476 WeakPolarHBondContact O-CB 3.48Å; A472-L476 VanDerWaalsContact O-CG 3.22Å; A472-L476 WeakPolarHBondContact O-CG 3.4Å; A472-L476 PolarHBondContact O-N 3.18Å; A472-L503 HydrophobicContact CB-CD1 3.77Å
473V94.6Very high90.2Very high16 Ų1659.5 Ų59.510%0.09731%0.311CS..Hα-helixtrans-57.9-51.2175.5168.90000110.5A469 E470 S475 L476 E477 L503A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.47Å; E470-V473 PolarHBondContact O-N 3.29Å; V473-S475 VanDerWaalsContact C-N 3.27Å; V473-S475 PolarHBondContact O-N 3.46Å; V473-L476 PolarHBondContact O-N 3.17Å; V473-L476 VanDerWaalsContact O-N 3.08Å; V473-E477 PolarHBondContact O-N 2.96Å; V473-L503 HydrophobicContact CG2-CB 3.64Å; V473-L503 HydrophobicContact CG2-CD1 3.95Å; V473-L503 HydrophobicContact CG2-CG 4.48Å
474T93.1Very high89.6Confident73 Ų7360.3 Ų60.345%0.44832%0.315SS..Hα-helixtrans-60-37.5177.2-52.50000112.3E470 L476 E477 I480E470-T474 PolarHBondContact O-N 2.82Å; E470-T474 PolarHBondContact O-OG1 3.41Å; T474-L476 VanDerWaalsContact C-N 3.3Å; T474-L476 PolarHBondContact O-N 3.14Å; T474-E477 PolarHBondContact O-N 3.36Å; T474-I480 HydrophobicContact CG2-CD1 4.06Å
475S90.4Very high88.9Confident56 Ų5661.6 Ų61.639%0.39233%0.325SS..Hα-helixtrans-72.6-23.4178.6-54.40000113.2K471 A472 V473 W483K471-S475 WeakPolarHBondContact O-CB 3.3Å; K471-S475 PolarHBondContact O-N 3.06Å; K471-S475 PolarHBondContact O-OG 3.15Å; A472-S475 PolarHBondContact O-N 2.86Å; V473-S475 VanDerWaalsContact C-N 3.27Å; V473-S475 PolarHBondContact O-N 3.46Å; S475-W483 WeakPolarHBondContact O-CH2 3.43Å; S475-W483 WeakPolarHBondContact O-CZ3 3.38Å
476L90Very high88.1Confident3 Ų364.8 Ų64.82%0.01635%0.351CS..Hα-helixtrans-89.4-6.4179.2-70.4169.4000112.9L429 A432 A472 V473 T474 H478 P496 L499 L503L429-L476 HydrophobicContact CD1-CD2 3.94Å; A432-L476 HydrophobicContact CB-CD2 3.77Å; A432-L476 HydrophobicContact CB-CG 4.06Å; A472-L476 WeakPolarHBondContact O-CB 3.48Å; A472-L476 VanDerWaalsContact O-CG 3.22Å; A472-L476 WeakPolarHBondContact O-CG 3.4Å; A472-L476 PolarHBondContact O-N 3.18Å; V473-L476 PolarHBondContact O-N 3.17Å; V473-L476 VanDerWaalsContact O-N 3.08Å; T474-L476 VanDerWaalsContact C-N 3.3Å; T474-L476 PolarHBondContact O-N 3.14Å; L476-H478 PolarHBondContact O-N 2.82Å; L476-P496 HydrophobicContact CD2-CB 4.07Å; L476-L499 HydrophobicContact CD1-CB 4.32Å; L476-L499 HydrophobicContact CD1-CD2 3.85Å; L476-L499 HydrophobicContact CD1-CG 3.99Å; L476-L503 HydrophobicContact CD1-CD1 3.98Å
477E87.8Confident87.5Confident83 Ų8364.4 Ų64.439%0.38835%0.349SS..  trans-66.2124.6179.3-77.7178-172.300112V473 T474 S479 I480 S481V473-E477 PolarHBondContact O-N 2.96Å; T474-E477 PolarHBondContact O-N 3.36Å; E477-S479 PolarHBondContact O-N 2.88Å; E477-S479 VanDerWaalsContact O-N 3.09Å; E477-I480 HydrophobicContact CB-CD1 4.43Å; E477-I480 PolarHBondContact O-N 3.25Å; E477-S481 PolarHBondContact O-N 2.81Å
478H77.5Confident86.9Confident107 Ų10762.3 Ų62.350%0.49534%0.339SS..THydrogen-bonded Turntrans-62.9-19.7-179.7-147.573.1000113.5L476 I480 S481L476-H478 PolarHBondContact O-N 2.82Å; H478-I480 VanDerWaalsContact C-N 3.26Å; H478-I480 PolarHBondContact O-N 3.22Å; H478-S481 WeakPolarHBondContact CA-OG 3.18Å; H478-S481 PolarHBondContact O-OG 3.39Å
479S75.4Confident86.2Confident117 Ų11766.4 Ų66.482%0.81837%0.37SS*.THydrogen-bonded Turntrans-70.4-23174.8-174.40000113E477E477-S479 PolarHBondContact O-N 2.88Å; E477-S479 VanDerWaalsContact O-N 3.09Å
480I77.1Confident85.6Confident101 Ų10168.6 Ų68.652%0.51838%0.381SS..THydrogen-bonded Turntrans-113.9-11.9-175.5-53.9169.4000110.4T474 E477 H478T474-I480 HydrophobicContact CG2-CD1 4.06Å; E477-I480 HydrophobicContact CB-CD1 4.43Å; E477-I480 PolarHBondContact O-N 3.25Å; H478-I480 VanDerWaalsContact C-N 3.26Å; H478-I480 PolarHBondContact O-N 3.22Å
481S75.6Confident85.2Confident28 Ų2864.4 Ų64.420%0.19636%0.362CS..  trans-63.1135.1-171.861.70000113.9E477 H478 W483E477-S481 PolarHBondContact O-N 2.81Å; H478-S481 WeakPolarHBondContact CA-OG 3.18Å; H478-S481 PolarHBondContact O-OG 3.39Å; S481-W483 VanDerWaalsContact CB-CZ2 3.41Å
482T80.7Confident84.9Confident84 Ų8458.8 Ų58.852%0.51534%0.338SS..  trans-93.2-11.3175.449.60000113.5D428D428-T482 PolarHBondContact OD2-OG1 3.47Å
483W83.9Confident84.6Confident17 Ų1759.9 Ų59.96%0.06435%0.35CS..  trans-87.8153.6-175.666.287.2000113.4L429 S475 S481 E487 P496L429-W483 HydrophobicContact CB-CB 4.45Å; L429-W483 HydrophobicContact CB-CD2 3.99Å; L429-W483 HydrophobicContact CB-CE3 3.92Å; L429-W483 HydrophobicContact CB-CG 4.22Å; L429-W483 HydrophobicContact CD1-CD2 4.13Å; L429-W483 HydrophobicContact CD1-CE3 4.32Å; L429-W483 HydrophobicContact CD1-CH2 4.31Å; L429-W483 HydrophobicContact CD1-CZ2 4.09Å; L429-W483 HydrophobicContact CD1-CZ3 4.41Å; L429-W483 HydrophobicContact CD2-CD2 4.26Å; L429-W483 HydrophobicContact CD2-CG 4.06Å; L429-W483 HydrophobicContact CG-CD2 4.34Å; S475-W483 WeakPolarHBondContact O-CH2 3.43Å; S475-W483 WeakPolarHBondContact O-CZ3 3.38Å; S481-W483 VanDerWaalsContact CB-CZ2 3.41Å; W483-E487 WeakPolarHBondContact CA-OE2 3.47Å; W483-E487 HydrophobicContact CB-CB 4.32Å; W483-P496 HydrophobicContact CZ2-CB 4.24Å; W483-P496 HydrophobicContact CZ2-CG 4.13Å
484T84.2Confident84.4Confident78 Ų7861.4 Ų61.448%0.47936%0.36SS..  trans-88.8160.8174.662.60000111.5A486 E487 E488T484-A486 PolarHBondContact O-N 3.01Å; T484-E487 PolarHBondContact N-OE2 2.92Å; T484-E487 PolarHBondContact O-N 3.47Å; T484-E487 VanDerWaalsContact O-N 3.14Å; T484-E487 VanDerWaalsContact OG1-CG 3.31Å; T484-E487 WeakPolarHBondContact OG1-CG 3.43Å; T484-E487 PolarHBondContact OG1-N 3.4Å; T484-E487 PolarHBondContact OG1-OE2 3.26Å; T484-E488 PolarHBondContact O-N 2.95Å
485K83.1Confident84.3Confident166 Ų16660.4 Ų60.472%0.72236%0.356SS*.Hα-helixtrans-59.5-30.2174.7-68.1-175.1177.3-177.90113.3C489K485-C489 PolarHBondContact O-N 3.41Å
486A80.5Confident84.3Confident66 Ų6657.9 Ų57.955%0.54534%0.339SS..Hα-helixtrans-68.4-42.8176.200000111.4T484 E488 C489 I490T484-A486 PolarHBondContact O-N 3.01Å; A486-E488 VanDerWaalsContact C-N 3.33Å; A486-C489 PolarHBondContact O-N 3.35Å; A486-I490 WeakPolarHBondContact O-CG1 3.28Å; A486-I490 PolarHBondContact O-N 2.88Å
487E84.3Confident84.3Confident15 Ų1562.5 Ų62.57%0.0736%0.363CS..Hα-helixtrans-66.1-36175.7-69.5168.212900112H423 L426 W483 T484 C489 I490 A491H423-E487 WeakPolarHBondContact CB-OE1 3.35Å; H423-E487 IonicContact CD2-OE1 3.51Å; H423-E487 IonicContact CG-OE1 2.61Å; L426-E487 HydrophobicContact CB-CB 4.06Å; L426-E487 HydrophobicContact CB-CG 3.94Å; L426-E487 HydrophobicContact CD1-CB 4.22Å; L426-E487 PolarHBondContact N-OE1 3.43Å; L426-E487 VanDerWaalsContact N-OE1 3.11Å; W483-E487 WeakPolarHBondContact CA-OE2 3.47Å; W483-E487 HydrophobicContact CB-CB 4.32Å; T484-E487 PolarHBondContact N-OE2 2.92Å; T484-E487 PolarHBondContact O-N 3.47Å; T484-E487 VanDerWaalsContact O-N 3.14Å; T484-E487 VanDerWaalsContact OG1-CG 3.31Å; T484-E487 WeakPolarHBondContact OG1-CG 3.43Å; T484-E487 PolarHBondContact OG1-N 3.4Å; T484-E487 PolarHBondContact OG1-OE2 3.26Å; E487-C489 VanDerWaalsContact C-N 3.35Å; E487-C489 PolarHBondContact O-N 2.89Å; E487-I490 PolarHBondContact O-N 3.1Å; E487-A491 PolarHBondContact O-N 2.93Å
488E84.9Confident84.5Confident51 Ų5160.8 Ų60.824%0.23836%0.363CS..Hα-helixtrans-60.7-42.7174.3-171.1-177.415500112.3T484 A486 I490 A491 P496T484-E488 PolarHBondContact O-N 2.95Å; A486-E488 VanDerWaalsContact C-N 3.33Å; E488-I490 VanDerWaalsContact C-N 3.28Å; E488-I490 PolarHBondContact O-N 3.1Å; E488-A491 PolarHBondContact O-N 3.34Å; E488-P496 HydrophobicContact CG-CG 3.97Å; E488-P496 WeakPolarHBondContact OE1-CD 3.41Å
489C83.3Confident85.3Confident117 Ų11756 Ų5679%0.79134%0.341SS*.Hα-helixtrans-67.2-29.9178-173.60000112.6K485 A486 E487K485-C489 PolarHBondContact O-N 3.41Å; A486-C489 PolarHBondContact O-N 3.35Å; E487-C489 VanDerWaalsContact C-N 3.35Å; E487-C489 PolarHBondContact O-N 2.89Å
490I84.2Confident86.1Confident46 Ų4651.4 Ų51.424%0.23631%0.309CS..Hα-helixtrans-76.8-42.2178.4-67168000110.2L255 Y357 A486 E487 E488L255-I490 HydrophobicContact CD2-CD1 3.44Å; L255-I490 VanDerWaalsContact CD2-CD1 3.44Å; L255-I490 HydrophobicContact CD2-CG2 4.42Å; L255-I490 HydrophobicContact CG-CD1 4.09Å; Y357-I490 HydrophobicContact CE1-CG2 4.16Å; Y357-I490 WeakPolarHBondContact OH-CG2 3.24Å; Y357-I490 PolarHBondContact OH-O 2.89Å; A486-I490 WeakPolarHBondContact O-CG1 3.28Å; A486-I490 PolarHBondContact O-N 2.88Å; E487-I490 PolarHBondContact O-N 3.1Å; E488-I490 VanDerWaalsContact C-N 3.28Å; E488-I490 PolarHBondContact O-N 3.1Å
491A87.8Confident87Confident6 Ų653.6 Ų53.65%0.0532%0.315CS..SBendtrans-59.3127.1-174.100000113L426 L429 L430 K433 E487 E488L426-A491 HydrophobicContact CD1-CB 3.95Å; L429-A491 HydrophobicContact CD2-CB 3.64Å; L429-A491 HydrophobicContact CG-CB 4.26Å; L430-A491 HydrophobicContact CD2-CB 4.49Å; K433-A491 PolarHBondContact NZ-O 2.92Å; E487-A491 PolarHBondContact O-N 2.93Å; E488-A491 PolarHBondContact O-N 3.34Å
492P89.2Confident87.9Confident4 Ų454.6 Ų54.63%0.02632%0.322CS..SBendtrans-67.9160-174.429.9-36000112.9I364 F410 I413 K433I364-P492 HydrophobicContact CB-CB 4.33Å; I364-P492 HydrophobicContact CD1-CB 4.11Å; I364-P492 HydrophobicContact CD1-CG 3.69Å; I364-P492 HydrophobicContact CG2-CB 4.14Å; F410-P492 HydrophobicContact CE1-CG 3.87Å; F410-P492 HydrophobicContact CZ-CG 4.1Å; I413-P492 HydrophobicContact CD1-CG 3.83Å; K433-P492 WeakPolarHBondContact CD-O 3.34Å; K433-P492 PolarHBondContact NZ-O 3.21Å
493G89.6Confident88.6Confident24 Ų2450.6 Ų50.625%0.24730%0.297CS..SBendtrans80.5-170-17900000114.4D365D365-G493 PolarHBondContact OD1-N 3.22Å
494P90.4Very high89.1Confident47 Ų4754.6 Ų54.631%0.30532%0.317SS..SBendtrans-65.4165.2-174.628.8-35.8000112.5K433 Y437 A498 L499K433-P494 PolarHBondContact NZ-O 2.95Å; Y437-P494 VanDerWaalsContact OH-CD 3.31Å; Y437-P494 WeakPolarHBondContact OH-CD 3.31Å; P494-A498 HydrophobicContact CB-CB 4.28Å; P494-L499 HydrophobicContact CG-CB 4.32Å; P494-L499 HydrophobicContact CG-CD1 4.3Å
495S90.5Very high89.7Confident53 Ų5352.3 Ų52.337%0.37130%0.303SS..  trans-61.6153172.966.30000111.2D497 A498 L499S495-D497 PolarHBondContact O-N 3.36Å; S495-A498 PolarHBondContact O-N 3.44Å; S495-A498 WeakPolarHBondContact OG-CB 3.36Å; S495-A498 PolarHBondContact OG-N 3.17Å; S495-L499 WeakPolarHBondContact O-CB 3.21Å; S495-L499 PolarHBondContact O-N 3.24Å
496P89.6Confident90.3Very high3 Ų344.4 Ų44.42%0.01927%0.269CS..Hα-helixtrans-52.9-41.3176.9-25.835.9000112.6L429 L476 W483 E488 L499 S500L429-P496 HydrophobicContact CD1-CG 4.04Å; L476-P496 HydrophobicContact CD2-CB 4.07Å; W483-P496 HydrophobicContact CZ2-CB 4.24Å; W483-P496 HydrophobicContact CZ2-CG 4.13Å; E488-P496 HydrophobicContact CG-CG 3.97Å; E488-P496 WeakPolarHBondContact OE1-CD 3.41Å; P496-L499 PolarHBondContact O-N 3.25Å; P496-S500 WeakPolarHBondContact O-CB 3.49Å; P496-S500 PolarHBondContact O-N 2.92Å
497D91.1Very high91.1Very high100 Ų10042.3 Ų42.354%0.53525%0.249SC..Hα-helixtrans-66.5-43.3-179.7-66.2-21.9000112.8S495 L499 S500 K501S495-D497 PolarHBondContact O-N 3.36Å; D497-L499 VanDerWaalsContact C-N 3.32Å; D497-S500 PolarHBondContact O-N 2.84Å; D497-K501 WeakPolarHBondContact O-CG 3.42Å; D497-K501 PolarHBondContact O-N 3.34Å; D497-K501 VanDerWaalsContact O-N 3.09Å
498A92Very high91.6Very high47 Ų4746.9 Ų46.939%0.38827%0.273SS..Hα-helixtrans-65.5-39.8177.300000110.9P494 S495 S502P494-A498 HydrophobicContact CB-CB 4.28Å; S495-A498 PolarHBondContact O-N 3.44Å; S495-A498 WeakPolarHBondContact OG-CB 3.36Å; S495-A498 PolarHBondContact OG-N 3.17Å; A498-S502 PolarHBondContact O-N 3.22Å; A498-S502 VanDerWaalsContact O-N 3.09Å
499L93.1Very high92.1Very high6 Ų644.5 Ų44.53%0.03126%0.262CS..Hα-helixtrans-67.2-41.6176.9-172.358.8000111.9K433 S436 Y437 L476 P494 S495 P496 D497 S502 L503K433-L499 HydrophobicContact CB-CD2 4.34Å; K433-L499 HydrophobicContact CG-CD2 3.85Å; S436-L499 WeakPolarHBondContact OG-CD2 3.24Å; Y437-L499 HydrophobicContact CE1-CD1 4.46Å; L476-L499 HydrophobicContact CD1-CB 4.32Å; L476-L499 HydrophobicContact CD1-CD2 3.85Å; L476-L499 HydrophobicContact CD1-CG 3.99Å; P494-L499 HydrophobicContact CG-CB 4.32Å; P494-L499 HydrophobicContact CG-CD1 4.3Å; S495-L499 WeakPolarHBondContact O-CB 3.21Å; S495-L499 PolarHBondContact O-N 3.24Å; P496-L499 PolarHBondContact O-N 3.25Å; D497-L499 VanDerWaalsContact C-N 3.32Å; L499-S502 PolarHBondContact O-N 3.24Å; L499-L503 HydrophobicContact CG-CD1 4.46Å; L499-L503 WeakPolarHBondContact O-CB 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 3.32Å
500S94.1Very high92.7Very high20 Ų2039 Ų3914%0.1422%0.224CC..Hα-helixtrans-60.6-45176.3-177.30000111.9P496 D497 S502 L503 Q504P496-S500 WeakPolarHBondContact O-CB 3.49Å; P496-S500 PolarHBondContact O-N 2.92Å; D497-S500 PolarHBondContact O-N 2.84Å; S500-S502 PolarHBondContact O-N 3.31Å; S500-L503 WeakPolarHBondContact O-CB 3.37Å; S500-L503 PolarHBondContact O-N 3.09Å; S500-Q504 WeakPolarHBondContact O-CG 3.43Å; S500-Q504 PolarHBondContact O-N 3.29Å
501K94.5Very high93.2Very high148 Ų14840.5 Ų40.564%0.64323%0.231SC*.Hα-helixtrans-60.5-43.3173.6-71.3174.7-176.8176.30112.4D497 L503 Q504 S505D497-K501 WeakPolarHBondContact O-CG 3.42Å; D497-K501 PolarHBondContact O-N 3.34Å; D497-K501 VanDerWaalsContact O-N 3.09Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 2.96Å; K501-Q504 PolarHBondContact O-N 2.97Å; K501-S505 PolarHBondContact O-N 3.42Å; K501-S505 VanDerWaalsContact O-N 3.15Å
502S94.1Very high93.5Very high48 Ų4842.1 Ų42.134%0.33624%0.242SC..Hα-helixtrans-64.8-36177.4-163.10000111.9Y440 A498 L499 S500 S505 L506Y440-S502 VanDerWaalsContact OH-CB 3.29Å; Y440-S502 WeakPolarHBondContact OH-CB 3.41Å; Y440-S502 PolarHBondContact OH-O 2.86Å; Y440-S502 PolarHBondContact OH-OG 2.92Å; A498-S502 PolarHBondContact O-N 3.22Å; A498-S502 VanDerWaalsContact O-N 3.09Å; L499-S502 PolarHBondContact O-N 3.24Å; S500-S502 PolarHBondContact O-N 3.31Å; S502-S505 WeakPolarHBondContact O-CB 3.38Å; S502-S505 PolarHBondContact O-N 2.98Å; S502-L506 PolarHBondContact O-N 3.1Å
503L95.9Very high93.7Very high0 Ų042.2 Ų42.20%024%0.242CC..Hα-helixtrans-69-39.5175.7-76.1171.5000113S439 Y440 A469 A472 V473 L476 L499 S500 K501 S505 L506 I507S439-L503 WeakPolarHBondContact OG-CD2 3.45Å; Y440-L503 HydrophobicContact CE2-CD2 3.82Å; Y440-L503 PolarHBondContact OH-N 3.09Å; A469-L503 HydrophobicContact CB-CD2 3.99Å; A472-L503 HydrophobicContact CB-CD1 3.77Å; V473-L503 HydrophobicContact CG2-CB 3.64Å; V473-L503 HydrophobicContact CG2-CD1 3.95Å; V473-L503 HydrophobicContact CG2-CG 4.48Å; L476-L503 HydrophobicContact CD1-CD1 3.98Å; L499-L503 HydrophobicContact CG-CD1 4.46Å; L499-L503 WeakPolarHBondContact O-CB 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 3.32Å; S500-L503 WeakPolarHBondContact O-CB 3.37Å; S500-L503 PolarHBondContact O-N 3.09Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 2.96Å; L503-S505 PolarHBondContact O-N 3.42Å; L503-L506 HydrophobicContact CD2-CD2 4.15Å; L503-L506 WeakPolarHBondContact O-CB 3.43Å; L503-L506 PolarHBondContact O-N 3.45Å; L503-L506 VanDerWaalsContact O-N 3.13Å; L503-I507 WeakPolarHBondContact O-CG1 3.22Å; L503-I507 PolarHBondContact O-N 3.4Å
504Q95.9Very high94Very high102 Ų10241.8 Ų41.848%0.47723%0.234SC..Hα-helixtrans-60.3-40.1173.2-71.5174.8-5.100111S500 K501 I507 L508S500-Q504 WeakPolarHBondContact O-CG 3.43Å; S500-Q504 PolarHBondContact O-N 3.29Å; K501-Q504 PolarHBondContact O-N 2.97Å; Q504-I507 PolarHBondContact O-N 2.96Å; Q504-L508 PolarHBondContact O-N 3.43Å
505S94.9Very high94.1Very high29 Ų2946.3 Ų46.320%0.20325%0.249CC..Hα-helixtrans-63.6-40.2173-176.70000112.8N386 K501 S502 L503 Q509N386-S505 VanDerWaalsContact CB-OG 3.25Å; N386-S505 WeakPolarHBondContact CB-OG 3.47Å; N386-S505 PolarHBondContact O-OG 2.67Å; K501-S505 PolarHBondContact O-N 3.42Å; K501-S505 VanDerWaalsContact O-N 3.15Å; S502-S505 WeakPolarHBondContact O-CB 3.38Å; S502-S505 PolarHBondContact O-N 2.98Å; L503-S505 PolarHBondContact O-N 3.42Å; S505-Q509 WeakPolarHBondContact O-CB 3.46Å; S505-Q509 PolarHBondContact O-N 3.08Å
506L96.4Very high94.2Very high1 Ų146.7 Ų46.71%0.00525%0.249CC..Hα-helixtrans-61.8-42.4173.8178.868.9000112.2L388 S439 Y440 Y443 A469 S502 L503 Q509 A510L388-L506 HydrophobicContact CD1-CB 4.22Å; L388-L506 HydrophobicContact CD1-CD1 4.18Å; L388-L506 HydrophobicContact CD2-CD1 4.45Å; S439-L506 WeakPolarHBondContact OG-CD2 3.37Å; Y440-L506 HydrophobicContact CD1-CD1 3.75Å; Y440-L506 HydrophobicContact CD1-CD2 3.7Å; Y440-L506 HydrophobicContact CD1-CG 4.21Å; Y440-L506 HydrophobicContact CD2-CD2 4.29Å; Y440-L506 HydrophobicContact CE1-CB 3.87Å; Y440-L506 HydrophobicContact CE1-CD1 3.78Å; Y440-L506 HydrophobicContact CE1-CD2 3.68Å; Y440-L506 HydrophobicContact CE1-CG 3.97Å; Y440-L506 HydrophobicContact CE2-CD2 4.27Å; Y440-L506 HydrophobicContact CG-CD2 3.99Å; Y443-L506 HydrophobicContact CD1-CD1 3.81Å; Y443-L506 HydrophobicContact CD2-CD1 3.86Å; Y443-L506 HydrophobicContact CE1-CD1 4.36Å; Y443-L506 HydrophobicContact CE2-CD1 4.39Å; Y443-L506 HydrophobicContact CG-CD1 3.54Å; A469-L506 HydrophobicContact CB-CD2 4.37Å; S502-L506 PolarHBondContact O-N 3.1Å; L503-L506 HydrophobicContact CD2-CD2 4.15Å; L503-L506 WeakPolarHBondContact O-CB 3.43Å; L503-L506 PolarHBondContact O-N 3.45Å; L503-L506 VanDerWaalsContact O-N 3.13Å; L506-Q509 PolarHBondContact O-N 2.82Å; L506-A510 WeakPolarHBondContact O-CB 3.37Å; L506-A510 PolarHBondContact O-N 3.1Å
507I97.2Very high94.3Very high22 Ų2246.6 Ų46.611%0.11325%0.249CC..Hα-helixtrans-59.4-53.9178.9-69.9163.6000109.8I466 A469 E470 L503 Q504 Q509 A510 E511I466-I507 HydrophobicContact CG2-CG2 4.2Å; A469-I507 HydrophobicContact CB-CD1 3.9Å; A469-I507 HydrophobicContact CB-CG1 3.56Å; E470-I507 HydrophobicContact CG-CD1 3.87Å; L503-I507 WeakPolarHBondContact O-CG1 3.22Å; L503-I507 PolarHBondContact O-N 3.4Å; Q504-I507 PolarHBondContact O-N 2.96Å; I507-Q509 VanDerWaalsContact C-N 3.29Å; I507-Q509 PolarHBondContact O-N 3.18Å; I507-A510 PolarHBondContact O-N 2.9Å; I507-A510 VanDerWaalsContact O-N 3.16Å; I507-E511 WeakPolarHBondContact O-CG 3.45Å; I507-E511 PolarHBondContact O-N 3.49Å
508L95.9Very high94.4Very high110 Ų11046.3 Ų46.358%0.57624%0.243SC*.Hα-helixtrans-58.8-40.8178.6-66.9173.5000112.3Q504 S512Q504-L508 PolarHBondContact O-N 3.43Å; L508-S512 PolarHBondContact O-N 2.91Å; L508-S512 VanDerWaalsContact O-N 3.1Å
509Q94.6Very high94.4Very high1 Ų146.4 Ų46.41%0.00524%0.243CC..Hα-helixtrans-68.1-43.1177.4-172.86626.900111.5N386 L388 Y443 S505 L506 I507 E511 S512 E513N386-Q509 PolarHBondContact ND2-OE1 3.48Å; L388-Q509 HydrophobicContact CB-CG 4.45Å; L388-Q509 HydrophobicContact CD1-CB 3.97Å; L388-Q509 HydrophobicContact CD1-CG 4.31Å; Y443-Q509 HydrophobicContact CE2-CG 4.15Å; Y443-Q509 VanDerWaalsContact OH-CG 3.25Å; Y443-Q509 WeakPolarHBondContact OH-CG 3.36Å; S505-Q509 WeakPolarHBondContact O-CB 3.46Å; S505-Q509 PolarHBondContact O-N 3.08Å; L506-Q509 PolarHBondContact O-N 2.82Å; I507-Q509 VanDerWaalsContact C-N 3.29Å; I507-Q509 PolarHBondContact O-N 3.18Å; Q509-E511 VanDerWaalsContact C-N 3.33Å; Q509-E511 PolarHBondContact O-N 3.3Å; Q509-S512 WeakPolarHBondContact O-CB 3.42Å; Q509-S512 PolarHBondContact O-N 3.35Å; Q509-E513 HydrophobicContact CG-CG 4.36Å; Q509-E513 PolarHBondContact NE2-OE1 2.93Å; Q509-E513 VanDerWaalsContact O-CG 3.29Å; Q509-E513 WeakPolarHBondContact O-CG 3.42Å; Q509-E513 PolarHBondContact O-N 3.43Å
510A95.6Very high94.2Very high1 Ų147.2 Ų47.21%0.00825%0.251CS..Hα-helixtrans-64-38.2179.200000112Y443 L462 I466 L506 I507 E513 D514Y443-A510 HydrophobicContact CD2-CB 3.97Å; Y443-A510 HydrophobicContact CE2-CB 4.33Å; L462-A510 HydrophobicContact CD2-CB 4.24Å; I466-A510 HydrophobicContact CD1-CB 4.07Å; I466-A510 HydrophobicContact CG1-CB 3.7Å; L506-A510 WeakPolarHBondContact O-CB 3.37Å; L506-A510 PolarHBondContact O-N 3.1Å; I507-A510 PolarHBondContact O-N 2.9Å; I507-A510 VanDerWaalsContact O-N 3.16Å; A510-E513 PolarHBondContact O-N 3.21Å; A510-D514 WeakPolarHBondContact O-CB 3.26Å; A510-D514 PolarHBondContact O-N 2.9Å
511E95.9Very high94Very high78 Ų7847.4 Ų47.436%0.36425%0.253SS..Hα-helixtrans-62.3-46.6171.9-70.6175.1166.100111.5I466 I507 Q509 E513 D514 F515I466-E511 HydrophobicContact CD1-CG 3.7Å; I507-E511 WeakPolarHBondContact O-CG 3.45Å; I507-E511 PolarHBondContact O-N 3.49Å; Q509-E511 VanDerWaalsContact C-N 3.33Å; Q509-E511 PolarHBondContact O-N 3.3Å; E511-E513 VanDerWaalsContact C-N 3.34Å; E511-E513 PolarHBondContact O-N 3.48Å; E511-D514 WeakPolarHBondContact O-CB 3.48Å; E511-D514 PolarHBondContact O-N 3.26Å; E511-F515 WeakPolarHBondContact O-CD2 3.47Å; E511-F515 PolarHBondContact O-N 2.85Å; E511-F515 VanDerWaalsContact O-N 3.11Å
512S93.6Very high93.8Very high41 Ų4146.6 Ų46.629%0.28725%0.253SS..Hα-helixtrans-59-43.2175.3171.30000112.6L508 Q509 D514 T516L508-S512 PolarHBondContact O-N 2.91Å; L508-S512 VanDerWaalsContact O-N 3.1Å; Q509-S512 WeakPolarHBondContact O-CB 3.42Å; Q509-S512 PolarHBondContact O-N 3.35Å; S512-D514 VanDerWaalsContact C-N 3.32Å; S512-T516 PolarHBondContact O-N 3.08Å; S512-T516 VanDerWaalsContact O-N 3.12Å; S512-T516 PolarHBondContact O-OG1 2.94Å
513E93.7Very high93.5Very high6 Ų649.8 Ų49.83%0.02827%0.265CS..Hα-helixtrans-70.9-29.6178.5-65.6-65.5170.900111.4T390 S391 Y443 L447 L462 Q509 A510 E511 T516 C517T390-E513 WeakPolarHBondContact CA-OE1 3.38Å; T390-E513 WeakPolarHBondContact CB-OE1 3.11Å; S391-E513 WeakPolarHBondContact CB-OE2 3.47Å; S391-E513 PolarHBondContact N-OE1 3.19Å; S391-E513 PolarHBondContact OG-OE2 2.82Å; Y443-E513 HydrophobicContact CE2-CG 4.08Å; L447-E513 HydrophobicContact CD2-CB 4.45Å; L447-E513 HydrophobicContact CD2-CG 4.23Å; L462-E513 HydrophobicContact CD1-CB 4.12Å; L462-E513 HydrophobicContact CD2-CB 4.37Å; Q509-E513 HydrophobicContact CG-CG 4.36Å; Q509-E513 PolarHBondContact NE2-OE1 2.93Å; Q509-E513 VanDerWaalsContact O-CG 3.29Å; Q509-E513 WeakPolarHBondContact O-CG 3.42Å; Q509-E513 PolarHBondContact O-N 3.43Å; A510-E513 PolarHBondContact O-N 3.21Å; E511-E513 VanDerWaalsContact C-N 3.34Å; E511-E513 PolarHBondContact O-N 3.48Å; E513-T516 PolarHBondContact O-N 3.01Å; E513-C517 VanDerWaalsContact O-CB 3.24Å; E513-C517 WeakPolarHBondContact O-CB 3.42Å; E513-C517 PolarHBondContact O-N 2.96Å
514D94.5Very high92.9Very high15 Ų1551.1 Ų51.18%0.0827%0.273CS..Hα-helixtrans-67-42.9175.2-178.265.1000111.2S459 L462 A510 E511 S512 T516 C517 K518S459-D514 WeakPolarHBondContact CA-OD1 3.45Å; S459-D514 VanDerWaalsContact CB-OD1 3.29Å; S459-D514 WeakPolarHBondContact CB-OD1 3.5Å; S459-D514 PolarHBondContact OG-OD1 3.47Å; L462-D514 HydrophobicContact CB-CB 4.36Å; L462-D514 HydrophobicContact CD1-CB 3.88Å; A510-D514 WeakPolarHBondContact O-CB 3.26Å; A510-D514 PolarHBondContact O-N 2.9Å; E511-D514 WeakPolarHBondContact O-CB 3.48Å; E511-D514 PolarHBondContact O-N 3.26Å; S512-D514 VanDerWaalsContact C-N 3.32Å; D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 2.66Å; D514-C517 PolarHBondContact O-N 3.43Å; D514-K518 WeakPolarHBondContact O-CB 3.31Å; D514-K518 VanDerWaalsContact O-CG 3.31Å; D514-K518 WeakPolarHBondContact O-CG 3.45Å; D514-K518 PolarHBondContact O-N 3.02Å; D514-K518 WeakPolarHBondContact OD2-CE 3.36Å; D514-K518 IonicContact OD2-NZ 2.63Å; D514-K518 PolarHBondContact OD2-NZ 3.04Å
515F93.7Very high92.3Very high141 Ų14152.6 Ų52.662%0.61828%0.277SS*.Hα-helixtrans-62.1-39.8171.4-70.1-62.2000112.3E511 K518 A519E511-F515 WeakPolarHBondContact O-CD2 3.47Å; E511-F515 PolarHBondContact O-N 2.85Å; E511-F515 VanDerWaalsContact O-N 3.11Å; F515-K518 PolarHBondContact O-N 2.8Å; F515-A519 WeakPolarHBondContact O-CB 3.48Å; F515-A519 PolarHBondContact O-N 2.83Å
516T92Very high91.5Very high61 Ų6155.1 Ų55.137%0.37429%0.291SS..Hα-helixtrans-66.4-42.9178.3-58.30000111.1S512 E513 D514 A519 A520S512-T516 PolarHBondContact O-N 3.08Å; S512-T516 VanDerWaalsContact O-N 3.12Å; S512-T516 PolarHBondContact O-OG1 2.94Å; E513-T516 PolarHBondContact O-N 3.01Å; D514-T516 VanDerWaalsContact C-N 3.32Å; D514-T516 PolarHBondContact O-N 2.66Å; T516-A519 PolarHBondContact O-N 3.01Å; T516-A520 WeakPolarHBondContact O-CB 3.44Å; T516-A520 PolarHBondContact O-N 2.99Å
517C92.8Very high90.3Very high2 Ų262.4 Ų62.41%0.01433%0.325CS..Hα-helixtrans-60.4-44.2174.31790000111.6Y455 E513 D514 A520 S521Y455-C517 PolarHBondContact O-SG 3.31Å; Y455-C517 VanDerWaalsContact O-SG 3.38Å; E513-C517 VanDerWaalsContact O-CB 3.24Å; E513-C517 WeakPolarHBondContact O-CB 3.42Å; E513-C517 PolarHBondContact O-N 2.96Å; D514-C517 PolarHBondContact O-N 3.43Å; C517-A520 PolarHBondContact O-N 3.15Å; C517-S521 WeakPolarHBondContact O-CB 3.47Å; C517-S521 PolarHBondContact O-N 3.17Å
518K92.5Very high88.8Confident93 Ų9369.4 Ų69.440%0.40436%0.358SS..Hα-helixtrans-63.2-44.6176.3-74.9166.8176.2165.90111.7D514 F515 S521 M522D514-K518 WeakPolarHBondContact O-CB 3.31Å; D514-K518 VanDerWaalsContact O-CG 3.31Å; D514-K518 WeakPolarHBondContact O-CG 3.45Å; D514-K518 PolarHBondContact O-N 3.02Å; D514-K518 WeakPolarHBondContact OD2-CE 3.36Å; D514-K518 IonicContact OD2-NZ 2.63Å; D514-K518 PolarHBondContact OD2-NZ 3.04Å; F515-K518 PolarHBondContact O-N 2.8Å; K518-S521 PolarHBondContact O-N 3.25Å; K518-M522 WeakPolarHBondContact O-CG 3.47Å; K518-M522 PolarHBondContact O-N 3.42Å; K518-M522 VanDerWaalsContact O-N 3.08Å
519A90.8Very high87Confident49 Ų4969 Ų6941%0.40536%0.356SS..Hα-helixtrans-62.9-46.3176.600000111.8F515 T516 S521 M522 L523F515-A519 WeakPolarHBondContact O-CB 3.48Å; F515-A519 PolarHBondContact O-N 2.83Å; T516-A519 PolarHBondContact O-N 3.01Å; A519-S521 VanDerWaalsContact C-N 3.32Å; A519-S521 PolarHBondContact O-N 3Å; A519-M522 WeakPolarHBondContact O-CB 3.49Å; A519-M522 PolarHBondContact O-N 3.44Å; A519-M522 VanDerWaalsContact O-N 3.1Å; A519-L523 WeakPolarHBondContact O-CG 3.42Å; A519-L523 PolarHBondContact O-N 2.88Å
520A89.8Confident84.8Confident24 Ų2477.5 Ų77.520%0.19840%0.396CS..Hα-helixtrans-60.1-41.1176.100000112Y455 T516 C517 M522 L523 D524Y455-A520 HydrophobicContact CD1-CB 4.36Å; Y455-A520 HydrophobicContact CE1-CB 3.68Å; T516-A520 WeakPolarHBondContact O-CB 3.44Å; T516-A520 PolarHBondContact O-N 2.99Å; C517-A520 PolarHBondContact O-N 3.15Å; A520-M522 VanDerWaalsContact C-N 3.3Å; A520-M522 PolarHBondContact O-N 3.31Å; A520-L523 PolarHBondContact O-N 3.49Å; A520-D524 PolarHBondContact O-N 2.9Å
521S91Very high82.5Confident24 Ų2483 Ų8317%0.16843%0.431CS..Hα-helixtrans-62.1-35.8174.4-175.70000113.2C517 K518 A519 K525C517-S521 WeakPolarHBondContact O-CB 3.47Å; C517-S521 PolarHBondContact O-N 3.17Å; K518-S521 PolarHBondContact O-N 3.25Å; A519-S521 VanDerWaalsContact C-N 3.32Å; A519-S521 PolarHBondContact O-N 3Å; S521-K525 VanDerWaalsContact O-CG 3.28Å; S521-K525 WeakPolarHBondContact O-CG 3.29Å; S521-K525 PolarHBondContact O-N 2.88Å
522M89.1Confident80.3Confident131 Ų13182.9 Ų82.965%0.64544%0.436SS*.Hα-helixtrans-71.2-40.8176.1-69.6177.8-177.800111.5K518 A519 A520 K525 V526K518-M522 WeakPolarHBondContact O-CG 3.47Å; K518-M522 PolarHBondContact O-N 3.42Å; K518-M522 VanDerWaalsContact O-N 3.08Å; A519-M522 WeakPolarHBondContact O-CB 3.49Å; A519-M522 PolarHBondContact O-N 3.44Å; A519-M522 VanDerWaalsContact O-N 3.1Å; A520-M522 VanDerWaalsContact C-N 3.3Å; A520-M522 PolarHBondContact O-N 3.31Å; M522-K525 PolarHBondContact O-N 3.39Å; M522-V526 WeakPolarHBondContact O-CG2 3.31Å; M522-V526 PolarHBondContact O-N 2.99Å
523L87.1Confident78Confident115 Ų11584.9 Ų84.960%0.60245%0.45SS*.Hα-helixtrans-66.1-45.3177.9-69.5172000112.2A519 A520 K525 V526 E527A519-L523 WeakPolarHBondContact O-CG 3.42Å; A519-L523 PolarHBondContact O-N 2.88Å; A520-L523 PolarHBondContact O-N 3.49Å; L523-K525 VanDerWaalsContact C-N 3.26Å; L523-K525 PolarHBondContact O-N 3.44Å; L523-V526 WeakPolarHBondContact O-CA 3.47Å; L523-V526 WeakPolarHBondContact O-CB 3.3Å; L523-V526 PolarHBondContact O-N 3.14Å; L523-E527 PolarHBondContact O-N 3.36Å
524D85Confident75.6Confident28 Ų2889.8 Ų89.815%0.1548%0.48CS..Hα-helixtrans-60.1-37.2177.1-91.24.4000111.6K453 Y455 A520 V526 E527 E528K453-D524 WeakPolarHBondContact CD-OD2 3.28Å; K453-D524 VanDerWaalsContact NZ-CG 3.29Å; K453-D524 IonicContact NZ-OD1 3.4Å; K453-D524 PolarHBondContact NZ-OD1 2.91Å; K453-D524 IonicContact NZ-OD2 3.72Å; K453-D524 PolarHBondContact NZ-OD2 3.39Å; Y455-D524 HydrophobicContact CE2-CB 4.09Å; Y455-D524 WeakPolarHBondContact CE2-OD2 2.76Å; Y455-D524 VanDerWaalsContact CZ-OD2 3.28Å; Y455-D524 VanDerWaalsContact OH-CG 3.3Å; Y455-D524 PolarHBondContact OH-OD2 3.35Å; A520-D524 PolarHBondContact O-N 2.9Å; D524-V526 VanDerWaalsContact C-N 3.28Å; D524-V526 PolarHBondContact O-N 2.97Å; D524-E527 PolarHBondContact O-N 3.34Å; D524-E528 PolarHBondContact O-N 2.75Å; D524-E528 VanDerWaalsContact O-N 3.14Å
525K82.6Confident73.2Confident132 Ų13293.4 Ų93.457%0.57450%0.503SS*.Hα-helixtrans-66.7-27.4174-75.1174.2-178.6178.10113.5S521 M522 L523 N529S521-K525 VanDerWaalsContact O-CG 3.28Å; S521-K525 WeakPolarHBondContact O-CG 3.29Å; S521-K525 PolarHBondContact O-N 2.88Å; M522-K525 PolarHBondContact O-N 3.39Å; L523-K525 VanDerWaalsContact C-N 3.26Å; L523-K525 PolarHBondContact O-N 3.44Å; K525-N529 PolarHBondContact O-ND2 2.95Å
526V78.2Confident70.8Confident82 Ų8289.5 Ų89.550%0.49749%0.492SS..Hα-helixtrans-81.3-32.2177.3173.70000110.9M522 L523 D524M522-V526 WeakPolarHBondContact O-CG2 3.31Å; M522-V526 PolarHBondContact O-N 2.99Å; L523-V526 WeakPolarHBondContact O-CA 3.47Å; L523-V526 WeakPolarHBondContact O-CB 3.3Å; L523-V526 PolarHBondContact O-N 3.14Å; D524-V526 VanDerWaalsContact C-N 3.28Å; D524-V526 PolarHBondContact O-N 2.97Å
527E70.1Confident68.5Low155 Ų15594.5 Ų94.572%0.72452%0.516SS*.Hα-helixtrans-74-34.1175.8-71.4-172.1169.600113.6L523 D524 N529L523-E527 PolarHBondContact O-N 3.36Å; D524-E527 PolarHBondContact O-N 3.34Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.47Å
528E66.4Low66.2Low169 Ų16998.8 Ų98.879%0.7955%0.551SS**Hα-helixtrans-70-26.3176.8-75.2-176.117400113D524D524-E528 PolarHBondContact O-N 2.75Å; D524-E528 VanDerWaalsContact O-N 3.14Å
529N57.4Low63.7Low102 Ų10296.8 Ų96.855%0.54556%0.557SS.*SBendtrans-86.4123.2170.2-69.2-57.8000107.6K525 E527 V532K525-N529 PolarHBondContact O-ND2 2.95Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.47Å; N529-V532 HydrophobicContact CB-CG2 4.03Å
530E48.5Very low61.8Low179 Ų179101.4 Ų101.484%0.83658%0.58SS**THydrogen-bonded Turntrans-32.4143.5170.5-97.1-157.2175.900111.8V532E530-V532 WeakPolarHBondContact O-CA 3.34Å; E530-V532 PolarHBondContact O-N 2.76Å
531P48.1Very low59.8Low116 Ų116103.6 Ų103.675%0.75359%0.591SS**THydrogen-bonded Turntrans-41.4100.9-16420.8-33.6000106.5S533P531-S533 PolarHBondContact O-N 3.25Å
532V49.1Very low58.1Low76 Ų76106.9 Ų106.946%0.46163%0.629SS.*  trans-58.4110.4-179.8173.9000099.2N529 E530 T534N529-V532 HydrophobicContact CB-CG2 4.03Å; E530-V532 WeakPolarHBondContact O-CA 3.34Å; E530-V532 PolarHBondContact O-N 2.76Å; V532-T534 PolarHBondContact O-N 2.9Å
533S44.7Very low56.5Low83 Ų83103.9 Ų103.958%0.5862%0.618SS**  trans-40.8139.5167.7-72.80000102.9P531 T535P531-S533 PolarHBondContact O-N 3.25Å; S533-T535 WeakPolarHBondContact O-CA 3.4Å; S533-T535 PolarHBondContact O-N 3.02Å; S533-T535 PolarHBondContact O-OG1 3.12Å
534T44.3Very low55.5Low109 Ų109102 Ų10267%0.66961%0.608SS**SBendtrans-6340.9166.347.20000109.8V532 P536V532-T534 PolarHBondContact O-N 2.9Å; T534-P536 VanDerWaalsContact C-N 3.34Å; T534-P536 WeakPolarHBondContact O-CD 3.37Å; T534-P536 VanDerWaalsContact O-N 3.1Å
535T43.3Very low54.6Low90 Ų90101 Ų10155%0.55260%0.604SS**  trans-48.8101.7142.740.60000106.4S533 L537S533-T535 WeakPolarHBondContact O-CA 3.4Å; S533-T535 PolarHBondContact O-N 3.02Å; S533-T535 PolarHBondContact O-OG1 3.12Å; T535-L537 PolarHBondContact O-N 3.47Å
536P43.4Very low54Low59 Ų5994.9 Ų94.938%0.38358%0.578SS.*  trans-51.2142.817124.6-33.6000107.2T534 A538T534-P536 VanDerWaalsContact C-N 3.34Å; T534-P536 WeakPolarHBondContact O-CD 3.37Å; T534-P536 VanDerWaalsContact O-N 3.1Å; P536-A538 PolarHBondContact O-N 2.89Å
537L44.7Very low54.1Low167 Ų16799.2 Ų99.287%0.87459%0.585SS**  trans-22.897.6175.8-110.176.5000110.1T535 G539T535-L537 PolarHBondContact O-N 3.47Å; L537-G539 PolarHBondContact O-N 3.06Å
538A44Very low54.6Low92 Ų9295 Ų9576%0.7656%0.564SS**  trans-76.634.5176.100000109.7P536 T540P536-A538 PolarHBondContact O-N 2.89Å; A538-T540 PolarHBondContact O-N 3.32Å
539G40.5Very low55.5Low51 Ų5187 Ų8753%0.52653%0.527SS..SBendtrans-85.4101.5168.400000108.5L537L537-G539 PolarHBondContact O-N 3.06Å
540T51.3Low56.8Low145 Ų14585.2 Ų85.289%0.8952%0.517SS*.SBendtrans85.1-12.8158.628.90000122.3A538A538-T540 PolarHBondContact O-N 3.32Å
541T47.8Very low58.7Low71 Ų7180.7 Ų80.744%0.43650%0.498SS..  trans-143.6111.515859.70000110.1V543T541-V543 PolarHBondContact O-N 2.87Å
542G53.6Low60.5Low93 Ų9378.2 Ų78.296%0.95948%0.478SS*.  trans-65.933.2168.100000113.3
543V56.5Low62.1Low68 Ų6874.7 Ų74.741%0.41246%0.457SS..  trans-95.1111-179.2-179.70000106.1T541 A545T541-V543 PolarHBondContact O-N 2.87Å; V543-A545 PolarHBondContact O-N 3.02Å
544D65.4Low63.9Low74 Ų7476.7 Ų76.740%0.39646%0.46SS..  trans-42.4114.2171-168.9-15.8000109.8S546 R547D544-S546 PolarHBondContact O-N 3.28Å; D544-S546 WeakPolarHBondContact OD1-CB 3.48Å; D544-S546 PolarHBondContact OD1-N 3.5Å; D544-S546 PolarHBondContact OD1-OG 2.93Å; D544-S546 PolarHBondContact OD2-OG 2.93Å; D544-R547 HydrophobicContact CB-CG 4.17Å; D544-R547 WeakPolarHBondContact O-CB 3.22Å; D544-R547 PolarHBondContact O-N 3.04Å
545A66.8Low65.7Low7 Ų778.1 Ų78.16%0.05846%0.464CS..G310 helixtrans-58.9-22.6-174.800000111.7V543 R547 K548 R553 I556 A558V543-A545 PolarHBondContact O-N 3.02Å; A545-R547 PolarHBondContact O-N 2.99Å; A545-K548 PolarHBondContact O-N 3.2Å; A545-R553 WeakPolarHBondContact O-CD 3.27Å; A545-R553 VanDerWaalsContact O-CZ 3.23Å; A545-R553 PolarHBondContact O-NE 2.77Å; A545-R553 VanDerWaalsContact O-NE 3.08Å; A545-R553 PolarHBondContact O-NH1 3.38Å; A545-I556 HydrophobicContact CB-CG2 4.26Å; A545-A558 HydrophobicContact CB-CB 4.37Å
546S70.8Confident67.4Low4 Ų476 Ų763%0.02845%0.449CS..G310 helixtrans-66.2-9.317470.20000114.3D544 N569 F570D544-S546 PolarHBondContact O-N 3.28Å; D544-S546 WeakPolarHBondContact OD1-CB 3.48Å; D544-S546 PolarHBondContact OD1-N 3.5Å; D544-S546 PolarHBondContact OD1-OG 2.93Å; D544-S546 PolarHBondContact OD2-OG 2.93Å; S546-N569 PolarHBondContact O-ND2 3.3Å; S546-F570 WeakPolarHBondContact O-CE2 3.35Å
547R78.6Confident68.9Low174 Ų17482.1 Ų82.166%0.65747%0.465SS*.G310 helixtrans-100.210.7178.2-61-177.3-174.7-179.20.9114.4D544 A545 F570D544-R547 HydrophobicContact CB-CG 4.17Å; D544-R547 WeakPolarHBondContact O-CB 3.22Å; D544-R547 PolarHBondContact O-N 3.04Å; A545-R547 PolarHBondContact O-N 2.99Å; R547-F570 VanDerWaalsContact C-CE2 3.45Å; R547-F570 WeakPolarHBondContact O-CZ 3.43Å
548K82.2Confident70.4Confident65 Ų6575 Ų7528%0.28343%0.43SS..SBendtrans-128.3143169.5-66.7179.8179.8177.30109.7A545 D552 R553A545-K548 PolarHBondContact O-N 3.2Å; K548-D552 HydrophobicContact CB-CB 4.33Å; K548-D552 HydrophobicContact CD-CB 4.48Å; K548-R553 HydrophobicContact CB-CB 4.46Å; K548-R553 HydrophobicContact CB-CG 4.41Å; K548-R553 PolarHBondContact O-NE 3.07Å
549V85.5Confident71.9Confident3 Ų372.3 Ų72.32%0.01840%0.403CS..  trans-62.4150.4167.1-64.90000110I551 D552 F570 Y572 P573 H576V549-I551 VanDerWaalsContact C-N 3.26Å; V549-I551 HydrophobicContact CG2-CG2 3.7Å; V549-I551 PolarHBondContact O-N 3.28Å; V549-I551 VanDerWaalsContact O-N 3.17Å; V549-D552 HydrophobicContact CG2-CB 4.29Å; V549-D552 PolarHBondContact O-N 2.84Å; V549-F570 HydrophobicContact CG1-CB 4.14Å; V549-F570 HydrophobicContact CG1-CD1 3.75Å; V549-F570 HydrophobicContact CG1-CD2 4.21Å; V549-F570 HydrophobicContact CG1-CE1 4.27Å; V549-F570 HydrophobicContact CG1-CG 3.75Å; V549-Y572 WeakPolarHBondContact CG1-O 3.48Å; V549-P573 CarbonylContact C-O 3.59Å; V549-P573 VanDerWaalsContact CA-O 3.32Å; V549-P573 WeakPolarHBondContact CA-O 3.4Å; V549-H576 WeakPolarHBondContact CG2-CE1 2.99Å; V549-H576 WeakPolarHBondContact CG2-NE2 3.46Å
550L84.7Confident73.7Confident63 Ų6377.3 Ų77.333%0.3341%0.413SS..G310 helixtrans-53.8-40.1-171.9-174.561.6000113.1D552 R553 L554 P573 F574L550-D552 PolarHBondContact O-N 2.99Å; L550-D552 VanDerWaalsContact O-N 3.17Å; L550-R553 CarbonylContact O-C 3.58Å; L550-R553 PolarHBondContact O-N 2.91Å; L550-L554 HydrophobicContact CD1-CD2 4.43Å; L550-L554 HydrophobicContact CG-CD2 4.05Å; L550-L554 PolarHBondContact O-N 3.27Å; L550-P573 PolarHBondContact N-O 3.25Å; L550-F574 HydrophobicContact CB-CD1 4.34Å; L550-F574 HydrophobicContact CD2-CD1 3.75Å; L550-F574 HydrophobicContact CD2-CE1 4.27Å
551I86.8Confident75.1Confident85 Ų8577.4 Ų77.444%0.43640%0.401SS..G310 helixtrans-58.8-28.3-179.7-163.766.9000113.4V549 R553 L554 F574 V575V549-I551 VanDerWaalsContact C-N 3.26Å; V549-I551 HydrophobicContact CG2-CG2 3.7Å; V549-I551 PolarHBondContact O-N 3.28Å; V549-I551 VanDerWaalsContact O-N 3.17Å; I551-R553 VanDerWaalsContact C-N 3.34Å; I551-L554 HydrophobicContact CD1-CD1 4.29Å; I551-F574 VanDerWaalsContact CB-O 3.32Å; I551-F574 WeakPolarHBondContact CB-O 3.3Å; I551-F574 PolarHBondContact N-O 3.49Å; I551-V575 HydrophobicContact CB-CG1 4.18Å; I551-V575 HydrophobicContact CG1-CG1 4.49Å; I551-V575 HydrophobicContact CG2-CG1 4.43Å
552D85.8Confident76.5Confident63 Ų6375 Ų7534%0.33739%0.387SS..G310 helixtrans-89.92.9-179.8-764.9000112.7K548 V549 L550 H576 K580K548-D552 HydrophobicContact CB-CB 4.33Å; K548-D552 HydrophobicContact CD-CB 4.48Å; V549-D552 HydrophobicContact CG2-CB 4.29Å; V549-D552 PolarHBondContact O-N 2.84Å; L550-D552 PolarHBondContact O-N 2.99Å; L550-D552 VanDerWaalsContact O-N 3.17Å; D552-H576 IonicContact OD1-CD2 3.62Å; D552-H576 IonicContact OD1-NE2 3.24Å; D552-H576 PolarHBondContact OD1-NE2 3.07Å; D552-H576 IonicContact OD2-CD2 3.78Å; D552-H576 IonicContact OD2-CE1 3.47Å; D552-H576 PolarHBondContact OD2-CE1 3Å; D552-H576 IonicContact OD2-NE2 2.69Å; D552-H576 PolarHBondContact OD2-NE2 3.06Å; D552-K580 IonicContact OD1-NZ 3.86Å; D552-K580 IonicContact OD2-NZ 2.85Å; D552-K580 PolarHBondContact OD2-NZ 3.39Å
553R83.2Confident77.6Confident2 Ų272.8 Ų72.81%0.00836%0.355CS..  trans-146.229.2-174.264.4172.5173125.1-0.9114.4A545 K548 L550 I551 D555 I556 A558 S566A545-R553 WeakPolarHBondContact O-CD 3.27Å; A545-R553 VanDerWaalsContact O-CZ 3.23Å; A545-R553 PolarHBondContact O-NE 2.77Å; A545-R553 VanDerWaalsContact O-NE 3.08Å; A545-R553 PolarHBondContact O-NH1 3.38Å; K548-R553 HydrophobicContact CB-CB 4.46Å; K548-R553 HydrophobicContact CB-CG 4.41Å; K548-R553 PolarHBondContact O-NE 3.07Å; L550-R553 CarbonylContact O-C 3.58Å; L550-R553 PolarHBondContact O-N 2.91Å; I551-R553 VanDerWaalsContact C-N 3.34Å; R553-D555 PolarHBondContact O-N 3.1Å; R553-I556 HydrophobicContact CB-CB 4.32Å; R553-I556 HydrophobicContact CB-CD1 4.1Å; R553-I556 HydrophobicContact CB-CG1 4.37Å; R553-I556 PolarHBondContact O-N 3.26Å; R553-A558 VanDerWaalsContact NH1-CB 3.28Å; R553-S566 PolarHBondContact NH2-OG 3.39Å
554L83Confident78.8Confident125 Ų12575 Ų7565%0.65436%0.361SS*.THydrogen-bonded Turntrans-61.3-23.1179.6-67.8178000113.6L550 I551 I556L550-L554 HydrophobicContact CD1-CD2 4.43Å; L550-L554 HydrophobicContact CG-CD2 4.05Å; L550-L554 PolarHBondContact O-N 3.27Å; I551-L554 HydrophobicContact CD1-CD1 4.29Å; L554-I556 VanDerWaalsContact C-N 3.35Å
555D81.9Confident79.6Confident139 Ų13977.3 Ų77.374%0.74337%0.367SS*.THydrogen-bonded Turntrans-81.1-11.7176.658.4-43.5000113.6R553R553-D555 PolarHBondContact O-N 3.1Å
556I79.2Confident80.1Confident47 Ų4777.1 Ų77.124%0.24137%0.366CS..SBendtrans-106.2116.3-176.2-54.6177.8000109.6A545 R553 L554 A558A545-I556 HydrophobicContact CB-CG2 4.26Å; R553-I556 HydrophobicContact CB-CB 4.32Å; R553-I556 HydrophobicContact CB-CD1 4.1Å; R553-I556 HydrophobicContact CB-CG1 4.37Å; R553-I556 PolarHBondContact O-N 3.26Å; L554-I556 VanDerWaalsContact C-N 3.35Å; I556-A558 PolarHBondContact O-N 3.24Å
557Y74.9Confident80.6Confident186 Ų18681.4 Ų81.473%0.72938%0.384SS*.  trans-66121.9168.3-179.3-98.7000110.1
558A74.9Confident80.8Confident17 Ų1779.9 Ų79.914%0.1439%0.389CS..  trans-113.9131.8172.100000108.8A545 R553 I556 V563A545-A558 HydrophobicContact CB-CB 4.37Å; R553-A558 VanDerWaalsContact NH1-CB 3.28Å; I556-A558 PolarHBondContact O-N 3.24Å; A558-V563 HydrophobicContact CB-CG2 3.73Å
559D77Confident80.9Confident36 Ų3681.1 Ų81.119%0.19340%0.399CS..  trans-66.8161.7173.970.7-22.4000111.2K561 S562 V563D559-K561 PolarHBondContact O-N 3.46Å; D559-K561 VanDerWaalsContact O-N 3.14Å; D559-S562 PolarHBondContact O-N 2.96Å; D559-S562 WeakPolarHBondContact OD1-CB 3.33Å; D559-S562 PolarHBondContact OD1-N 3.09Å; D559-S562 PolarHBondContact OD1-OG 3.28Å; D559-V563 WeakPolarHBondContact O-CG2 3.5Å; D559-V563 PolarHBondContact O-N 3.26Å
560E78.1Confident80.7Confident156 Ų15683.8 Ų83.873%0.72941%0.41SS*.Hα-helixtrans-49.4-44.8-176.9-174175.3-165.500111.8S562 V563 E564E560-S562 PolarHBondContact O-N 3.41Å; E560-V563 PolarHBondContact O-N 3.21Å; E560-E564 WeakPolarHBondContact O-CG 3.5Å; E560-E564 PolarHBondContact O-N 3.2Å
561K80.8Confident80.7Confident147 Ų14787 Ų8764%0.63943%0.432SS*.Hα-helixtrans-65-37.9178.3-65.3-180-178.4174.40113.4D559 K565D559-K561 PolarHBondContact O-N 3.46Å; D559-K561 VanDerWaalsContact O-N 3.14Å; K561-K565 WeakPolarHBondContact O-CG 3.32Å; K561-K565 PolarHBondContact O-N 3.33Å
562S76.7Confident80.7Confident21 Ų2188.6 Ų88.615%0.14743%0.434CS..Hα-helixtrans-72.6-33.1176.7-640000112.1D559 E560 S566D559-S562 PolarHBondContact O-N 2.96Å; D559-S562 WeakPolarHBondContact OD1-CB 3.33Å; D559-S562 PolarHBondContact OD1-N 3.09Å; D559-S562 PolarHBondContact OD1-OG 3.28Å; E560-S562 PolarHBondContact O-N 3.41Å; S562-S566 PolarHBondContact O-N 2.88Å
563V76.4Confident80.6Confident47 Ų4786.5 Ų86.529%0.28542%0.424SS..Hα-helixtrans-67-46.7172.6-177.60000109.7A558 D559 E560 K565 S566 F567A558-V563 HydrophobicContact CB-CG2 3.73Å; D559-V563 WeakPolarHBondContact O-CG2 3.5Å; D559-V563 PolarHBondContact O-N 3.26Å; E560-V563 PolarHBondContact O-N 3.21Å; V563-K565 VanDerWaalsContact C-N 3.35Å; V563-K565 PolarHBondContact O-N 2.74Å; V563-S566 WeakPolarHBondContact O-CB 3.42Å; V563-S566 PolarHBondContact O-N 3.29Å; V563-S566 PolarHBondContact O-OG 3.36Å; V563-F567 HydrophobicContact CG1-CE2 3.73Å; V563-F567 HydrophobicContact CG1-CZ 4.23Å; V563-F567 WeakPolarHBondContact O-CD2 3.39Å; V563-F567 PolarHBondContact O-N 3.43Å
564E81.1Confident80.7Confident113 Ų11392 Ų9253%0.52845%0.447SS..Hα-helixtrans-52.3-48.8172.9-78-177.5164.300112.5E560 S566 F567E560-E564 WeakPolarHBondContact O-CG 3.5Å; E560-E564 PolarHBondContact O-N 3.2Å; E564-S566 VanDerWaalsContact C-N 3.26Å; E564-S566 PolarHBondContact O-N 3.36Å; E564-F567 PolarHBondContact O-N 3.27Å
565K82.2Confident80.9Confident123 Ų12389.5 Ų89.554%0.53544%0.438SS..Hα-helixtrans-59.4-33.9176.4-76.6176.5-178.7178.10113.4K561 V563 F567 N568 N569K561-K565 WeakPolarHBondContact O-CG 3.32Å; K561-K565 PolarHBondContact O-N 3.33Å; V563-K565 VanDerWaalsContact C-N 3.35Å; V563-K565 PolarHBondContact O-N 2.74Å; K565-F567 VanDerWaalsContact C-N 3.3Å; K565-F567 PolarHBondContact O-N 3.37Å; K565-N568 PolarHBondContact O-N 3.5Å; K565-N568 VanDerWaalsContact O-N 3.15Å; K565-N569 PolarHBondContact O-N 3.39Å
566S78.7Confident81.1Confident3 Ų385.7 Ų85.72%0.02142%0.415CS..Hα-helixtrans-67.8-29-179.575.80000113.4R553 S562 V563 E564 N568 N569 F570R553-S566 PolarHBondContact NH2-OG 3.39Å; S562-S566 PolarHBondContact O-N 2.88Å; V563-S566 WeakPolarHBondContact O-CB 3.42Å; V563-S566 PolarHBondContact O-N 3.29Å; V563-S566 PolarHBondContact O-OG 3.36Å; E564-S566 VanDerWaalsContact C-N 3.26Å; E564-S566 PolarHBondContact O-N 3.36Å; S566-N568 PolarHBondContact O-N 2.96Å; S566-N569 PolarHBondContact O-N 2.89Å; S566-F570 PolarHBondContact O-N 3.15Å
567F80.8Confident81.5Confident95 Ų9588.4 Ų88.442%0.41743%0.429SS..Hα-helixtrans-65.3-26173.2-65.5-78.9000112.6V563 E564 K565 P573 F574V563-F567 HydrophobicContact CG1-CE2 3.73Å; V563-F567 HydrophobicContact CG1-CZ 4.23Å; V563-F567 WeakPolarHBondContact O-CD2 3.39Å; V563-F567 PolarHBondContact O-N 3.43Å; E564-F567 PolarHBondContact O-N 3.27Å; K565-F567 VanDerWaalsContact C-N 3.3Å; K565-F567 PolarHBondContact O-N 3.37Å; F567-P573 HydrophobicContact CD1-CB 3.9Å; F567-P573 HydrophobicContact CD1-CG 3.34Å; F567-P573 HydrophobicContact CE1-CB 4.29Å; F567-P573 HydrophobicContact CE1-CG 3.77Å; F567-P573 HydrophobicContact CG-CB 4.5Å; F567-P573 HydrophobicContact CG-CG 4.29Å; F567-F574 HydrophobicContact CE1-CE1 4.12Å; F567-F574 HydrophobicContact CE1-CE2 4.1Å; F567-F574 AromaticContact CE1-CZ 3.57Å; F567-F574 HydrophobicContact CE1-CZ 3.57Å; F567-F574 HydrophobicContact CZ-CE1 4.27Å; F567-F574 AromaticContact CZ-CZ 3.98Å; F567-F574 HydrophobicContact CZ-CZ 3.98Å
568N83.6Confident82.2Confident141 Ų14184.7 Ų84.775%0.75443%0.428SS*.Hα-helixtrans-83.1-24.2176.5-66-28.1000112.9K565 S566K565-N568 PolarHBondContact O-N 3.5Å; K565-N568 VanDerWaalsContact O-N 3.15Å; S566-N568 PolarHBondContact O-N 2.96Å
569N83.6Confident82.7Confident92 Ų9288.4 Ų88.449%0.49245%0.451SS..Hα-helixtrans-88.9-25.1-175.7-69.3-18.4000113.4S546 K565 S566S546-N569 PolarHBondContact O-ND2 3.3Å; K565-N569 PolarHBondContact O-N 3.39Å; S566-N569 PolarHBondContact O-N 2.89Å
570F81.6Confident83.1Confident59 Ų5992 Ų9226%0.25947%0.465SS..  trans-128.2129.5-175.6-63.6-75.4000111.4S546 R547 V549 S566 Y572 P573S546-F570 WeakPolarHBondContact O-CE2 3.35Å; R547-F570 VanDerWaalsContact C-CE2 3.45Å; R547-F570 WeakPolarHBondContact O-CZ 3.43Å; V549-F570 HydrophobicContact CG1-CB 4.14Å; V549-F570 HydrophobicContact CG1-CD1 3.75Å; V549-F570 HydrophobicContact CG1-CD2 4.21Å; V549-F570 HydrophobicContact CG1-CE1 4.27Å; V549-F570 HydrophobicContact CG1-CG 3.75Å; S566-F570 PolarHBondContact O-N 3.15Å; F570-Y572 PolarHBondContact O-N 3.07Å; F570-P573 HydrophobicContact CB-CB 4.37Å
571V84.6Confident83.5Confident131 Ų13194.6 Ų94.679%0.79447%0.474SS*.SBendtrans-58.4-37.2171.7-178.90000111.1P573V571-P573 WeakPolarHBondContact O-CD 3.17Å
572Y87.2Confident83.7Confident118 Ų11894.9 Ų94.946%0.46348%0.477SS..SBendtrans-11989.3173.4-57.3-71.7000109.4V549 F570 F574 V575 L577V549-Y572 WeakPolarHBondContact CG1-O 3.48Å; F570-Y572 PolarHBondContact O-N 3.07Å; Y572-F574 VanDerWaalsContact C-N 3.28Å; Y572-F574 PolarHBondContact O-N 3.32Å; Y572-V575 VanDerWaalsContact CB-O 3.24Å; Y572-V575 WeakPolarHBondContact CB-O 3.37Å; Y572-L577 HydrophobicContact CD1-CD2 4.43Å; Y572-L577 HydrophobicContact CD2-CB 3.7Å; Y572-L577 HydrophobicContact CD2-CD2 4.5Å; Y572-L577 HydrophobicContact CE1-CD2 3.97Å; Y572-L577 HydrophobicContact CE2-CB 3.93Å; Y572-L577 HydrophobicContact CE2-CD2 4.03Å; Y572-L577 HydrophobicContact CE2-CG 4.44Å; Y572-L577 HydrophobicContact CG-CB 4.01Å
573P82.5Confident84.1Confident19 Ų19100.1 Ų100.112%0.12351%0.511CS..SBendtrans-75.2-17.5-170.222.7-25.9000113.5V549 L550 F567 F570 V571V549-P573 CarbonylContact C-O 3.59Å; V549-P573 VanDerWaalsContact CA-O 3.32Å; V549-P573 WeakPolarHBondContact CA-O 3.4Å; L550-P573 PolarHBondContact N-O 3.25Å; F567-P573 HydrophobicContact CD1-CB 3.9Å; F567-P573 HydrophobicContact CD1-CG 3.34Å; F567-P573 HydrophobicContact CE1-CB 4.29Å; F567-P573 HydrophobicContact CE1-CG 3.77Å; F567-P573 HydrophobicContact CG-CB 4.5Å; F567-P573 HydrophobicContact CG-CG 4.29Å; F570-P573 HydrophobicContact CB-CB 4.37Å; V571-P573 WeakPolarHBondContact O-CD 3.17Å
574F85.5Confident84.3Confident116 Ų116103.5 Ų103.551%0.50953%0.531SS..SBendtrans-88.5-44.1-178.7-58.9-64.7000113.1L550 I551 F567 Y572L550-F574 HydrophobicContact CB-CD1 4.34Å; L550-F574 HydrophobicContact CD2-CD1 3.75Å; L550-F574 HydrophobicContact CD2-CE1 4.27Å; I551-F574 VanDerWaalsContact CB-O 3.32Å; I551-F574 WeakPolarHBondContact CB-O 3.3Å; I551-F574 PolarHBondContact N-O 3.49Å; F567-F574 HydrophobicContact CE1-CE1 4.12Å; F567-F574 HydrophobicContact CE1-CE2 4.1Å; F567-F574 AromaticContact CE1-CZ 3.57Å; F567-F574 HydrophobicContact CE1-CZ 3.57Å; F567-F574 HydrophobicContact CZ-CE1 4.27Å; F567-F574 AromaticContact CZ-CZ 3.98Å; F567-F574 HydrophobicContact CZ-CZ 3.98Å; Y572-F574 VanDerWaalsContact C-N 3.28Å; Y572-F574 PolarHBondContact O-N 3.32Å
575V88Confident84.1Confident74 Ų74104.1 Ų104.145%0.44855%0.545SS..SBendtrans-142.6153.7-171.1-68.40000110.9I551 Y572 L577I551-V575 HydrophobicContact CB-CG1 4.18Å; I551-V575 HydrophobicContact CG1-CG1 4.49Å; I551-V575 HydrophobicContact CG2-CG1 4.43Å; Y572-V575 VanDerWaalsContact CB-O 3.24Å; Y572-V575 WeakPolarHBondContact CB-O 3.37Å; V575-L577 PolarHBondContact O-N 3.35Å
576H86.6Confident83.9Confident59 Ų59104.7 Ų104.727%0.27356%0.559SS.*  trans-71.3122.5171.5-64.8-74.2000110.4V549 D552 P578 K580V549-H576 WeakPolarHBondContact CG2-CE1 2.99Å; V549-H576 WeakPolarHBondContact CG2-NE2 3.46Å; D552-H576 IonicContact OD1-CD2 3.62Å; D552-H576 IonicContact OD1-NE2 3.24Å; D552-H576 PolarHBondContact OD1-NE2 3.07Å; D552-H576 IonicContact OD2-CD2 3.78Å; D552-H576 IonicContact OD2-CE1 3.47Å; D552-H576 PolarHBondContact OD2-CE1 3Å; D552-H576 IonicContact OD2-NE2 2.69Å; D552-H576 PolarHBondContact OD2-NE2 3.06Å; H576-P578 CarbonylContact C-O 3.5Å; H576-P578 CarbonylContact O-C 3.42Å; H576-K580 VanDerWaalsContact CE1-CE 3.49Å; H576-K580 WeakPolarHBondContact CE1-CE 3.27Å; H576-K580 VanDerWaalsContact NE2-CE 3.33Å; H576-K580 WeakPolarHBondContact NE2-CE 3.41Å; H576-K580 PolarHBondContact NE2-NZ 3.37Å; H576-K580 VanDerWaalsContact NE2-NZ 3.13Å
577L87.6Confident83.7Confident103 Ų103113.5 Ų113.554%0.53960%0.596SS.*SBendtrans-128.6117.5169-164.273.1000109.3Y572 V575Y572-L577 HydrophobicContact CD1-CD2 4.43Å; Y572-L577 HydrophobicContact CD2-CB 3.7Å; Y572-L577 HydrophobicContact CD2-CD2 4.5Å; Y572-L577 HydrophobicContact CE1-CD2 3.97Å; Y572-L577 HydrophobicContact CE2-CB 3.93Å; Y572-L577 HydrophobicContact CE2-CD2 4.03Å; Y572-L577 HydrophobicContact CE2-CG 4.44Å; Y572-L577 HydrophobicContact CG-CB 4.01Å; V575-L577 PolarHBondContact O-N 3.35Å
578P88.9Confident83.3Confident108 Ų108113.9 Ų113.970%0.70161%0.609SS**SBendcis-69.7159.8-0.430.1-35.2000113.6H576H576-P578 CarbonylContact C-O 3.5Å; H576-P578 CarbonylContact O-C 3.42Å
579P86.5Confident83Confident95 Ų95113.6 Ų113.662%0.61761%0.606SS**PPolyproline II helixtrans-62.3149.7177.7-19.932000112.6
580K84.4Confident82.4Confident113 Ų113118.2 Ų118.249%0.49162%0.622SS.*PPolyproline II helixtrans-67.9135.2175.1-65.1176.1-176.5163.20110.8D552 H576 H582D552-K580 IonicContact OD1-NZ 3.86Å; D552-K580 IonicContact OD2-NZ 2.85Å; D552-K580 PolarHBondContact OD2-NZ 3.39Å; H576-K580 VanDerWaalsContact CE1-CE 3.49Å; H576-K580 WeakPolarHBondContact CE1-CE 3.27Å; H576-K580 VanDerWaalsContact NE2-CE 3.33Å; H576-K580 WeakPolarHBondContact NE2-CE 3.41Å; H576-K580 PolarHBondContact NE2-NZ 3.37Å; H576-K580 VanDerWaalsContact NE2-NZ 3.13Å; K580-H582 PolarHBondContact O-CE1 2.85Å; K580-H582 PolarHBondContact O-ND1 3.27Å
581F87.6Confident82.3Confident209 Ų209123.2 Ų123.292%0.91764%0.644SS**PPolyproline II helixtrans-68.9137.7174.2-66.8-79.6000111.2
582H83.2Confident82Confident153 Ų153122.7 Ų122.771%0.70864%0.637SS**  trans-121.4138.9175.6-6681.7000110K580 V584K580-H582 PolarHBondContact O-CE1 2.85Å; K580-H582 PolarHBondContact O-ND1 3.27Å; H582-V584 PolarHBondContact O-N 3.42Å
583P85.2Confident81.8Confident131 Ų131122.7 Ų122.785%0.85164%0.644SS**  trans-68.2130.2175.927.8-32.8000110.5
584V82.4Confident81.8Confident119 Ų119124.5 Ų124.572%0.72166%0.661SS**  trans-107.1127.7177.5-178.50000108.6H582 V586H582-V584 PolarHBondContact O-N 3.42Å; V584-V586 PolarHBondContact O-N 3.13Å
585P76Confident81.7Confident125 Ų125124.2 Ų124.281%0.81266%0.664SS**PPolyproline II helixtrans-65.2131.5178.425.8-32.6000111
586V77.2Confident81.4Confident136 Ų136126.5 Ų126.582%0.82467%0.674SS**PPolyproline II helixtrans-90.7142.5179.7-172.80000110V584V584-V586 PolarHBondContact O-N 3.13Å
587K74.4Confident81.3Confident187 Ų187131.1 Ų131.181%0.81370%0.695SS**PPolyproline II helixtrans-57.4135.8179.1-163175.6-176.8179.40110.8
588P74.1Confident81.2Confident103 Ų103130.5 Ų130.567%0.66969%0.691SS**PPolyproline II helixtrans-64.4140.2-176.223.2-32.5000112.4
589I75.9Confident81Confident136 Ų136133 Ų13370%0.69770%0.698SS**PPolyproline II helixtrans-86.8121.5179-58.7171.9000108.5F591I589-F591 HydrophobicContact CB-CE2 4.38Å; I589-F591 HydrophobicContact CG2-CD2 4.45Å; I589-F591 HydrophobicContact CG2-CE1 4.27Å; I589-F591 HydrophobicContact CG2-CE2 3.89Å; I589-F591 HydrophobicContact CG2-CZ 3.78Å
590F71.8Confident80.9Confident189 Ų189135.7 Ų135.783%0.82970%0.701SS**PPolyproline II helixtrans-91.5133.3173.2-81.3-92.4000110.5
591F78.2Confident80.8Confident164 Ų164135.5 Ų135.572%0.71971%0.711SS**  trans-109.1122.1173.6-64.5-83.9000109.4I589 L593I589-F591 HydrophobicContact CB-CE2 4.38Å; I589-F591 HydrophobicContact CG2-CD2 4.45Å; I589-F591 HydrophobicContact CG2-CE1 4.27Å; I589-F591 HydrophobicContact CG2-CE2 3.89Å; I589-F591 HydrophobicContact CG2-CZ 3.78Å; F591-L593 PolarHBondContact O-N 2.96Å
592D78.9Confident80.6Confident120 Ų120129.5 Ų129.564%0.64270%0.695SS**  trans-81.9100.5173-173.3-2.8000109.8A594D592-A594 WeakPolarHBondContact OD1-CB 3.19Å; D592-A594 PolarHBondContact OD1-N 3.24Å
593L83.4Confident80.5Confident117 Ų117127 Ų12761%0.61369%0.686SS**  trans-80.4-18.1179.4-60.5176.9000112.5F591 L595 N596 H597F591-L593 PolarHBondContact O-N 2.96Å; L593-L595 VanDerWaalsContact C-N 3.33Å; L593-L595 PolarHBondContact O-N 3.2Å; L593-N596 PolarHBondContact O-N 3.47Å; L593-H597 PolarHBondContact O-CD2 3.22Å
594A82.4Confident80.4Confident58 Ų58126.2 Ų126.248%0.47968%0.675SS.*G310 helixtrans-69.2-34-173.400000111.7D592 N596 H597D592-A594 WeakPolarHBondContact OD1-CB 3.19Å; D592-A594 PolarHBondContact OD1-N 3.24Å; A594-N596 PolarHBondContact O-N 3.37Å; A594-N596 VanDerWaalsContact O-N 3.17Å; A594-H597 PolarHBondContact O-N 2.86Å
595L82.6Confident80.2Confident109 Ų109128.6 Ų128.657%0.57168%0.684SS**G310 helixtrans-54.9-35.7178.4-168.776.3000112.5L593 H597 I598L593-L595 VanDerWaalsContact C-N 3.33Å; L593-L595 PolarHBondContact O-N 3.2Å; L595-H597 PolarHBondContact O-N 3.38Å; L595-I598 PolarHBondContact O-N 3.35Å
596N82.8Confident80.4Confident123 Ų123131 Ų13166%0.65868%0.682SS**G310 helixtrans-67.4-15.5-179.2-63.6-30.3000113.6L593 A594L593-N596 PolarHBondContact O-N 3.47Å; A594-N596 PolarHBondContact O-N 3.37Å; A594-N596 VanDerWaalsContact O-N 3.17Å
597H84.1Confident80.2Confident156 Ų156129.8 Ų129.872%0.72267%0.669SS**G310 helixtrans-108.81.5-176.3-64.6-72.8000113.5L593 A594 L595L593-H597 PolarHBondContact O-CD2 3.22Å; A594-H597 PolarHBondContact O-N 2.86Å; L595-H597 PolarHBondContact O-N 3.38Å
598I85.9Confident79.4Confident90 Ų90124.2 Ų124.246%0.46267%0.665SS.*  trans-91.1107.1177.8-59.9173.1000109.1L595 F600L595-I598 PolarHBondContact O-N 3.35Å; I598-F600 HydrophobicContact CB-CE2 4.27Å; I598-F600 HydrophobicContact CB-CZ 4.42Å; I598-F600 HydrophobicContact CG2-CD1 4.37Å; I598-F600 HydrophobicContact CG2-CD2 4.21Å; I598-F600 HydrophobicContact CG2-CE1 3.99Å; I598-F600 HydrophobicContact CG2-CE2 3.81Å; I598-F600 HydrophobicContact CG2-CG 4.48Å; I598-F600 HydrophobicContact CG2-CZ 3.69Å; I598-F600 PolarHBondContact O-N 3.35Å
599N84.1Confident78.4Confident159 Ų159127.4 Ų127.485%0.8568%0.675SS**  trans-84110.1169-74.6-30.6000109.5
600F85.4Confident76.9Confident153 Ų153130.7 Ų130.767%0.67169%0.685SS**PPolyproline II helixtrans-76.3140.2173.9-65.4-84.8000110.4I598I598-F600 HydrophobicContact CB-CE2 4.27Å; I598-F600 HydrophobicContact CB-CZ 4.42Å; I598-F600 HydrophobicContact CG2-CD1 4.37Å; I598-F600 HydrophobicContact CG2-CD2 4.21Å; I598-F600 HydrophobicContact CG2-CE1 3.99Å; I598-F600 HydrophobicContact CG2-CE2 3.81Å; I598-F600 HydrophobicContact CG2-CG 4.48Å; I598-F600 HydrophobicContact CG2-CZ 3.69Å; I598-F600 PolarHBondContact O-N 3.35Å
601P81.9Confident75.4Confident109 Ų109126.3 Ų126.371%0.70868%0.683SS**PPolyproline II helixtrans-62.1139.9173.925-31.9000110.4
602S82.4Confident73.6Confident82 Ų82123.8 Ų123.857%0.57369%0.686SS**PPolyproline II helixtrans-61.9137.9175.7171.20000110.5D604S602-D604 WeakPolarHBondContact OG-CB 3.34Å; S602-D604 PolarHBondContact OG-N 3.29Å; S602-D604 VanDerWaalsContact OG-N 3.07Å; S602-D604 PolarHBondContact OG-OD2 3.2Å
603L82.7Confident71.6Confident100 Ų100122.4 Ų122.452%0.52469%0.691SS.*  trans-10211.4174-63.4174.3000111.8D605 K606 I607L603-D605 PolarHBondContact O-N 3.07Å; L603-K606 HydrophobicContact CD2-CD 4.29Å; L603-K606 WeakPolarHBondContact O-CA 3.17Å; L603-K606 WeakPolarHBondContact O-CB 3.33Å; L603-K606 PolarHBondContact O-N 3.06Å; L603-I607 PolarHBondContact O-N 3.47Å
604D82.9Confident69.7Low116 Ų116123.2 Ų123.262%0.6270%0.703SS**G310 helixtrans-56.7-36.1-174-66.2-35.4000112.2S602 K606 I607S602-D604 WeakPolarHBondContact OG-CB 3.34Å; S602-D604 PolarHBondContact OG-N 3.29Å; S602-D604 VanDerWaalsContact OG-N 3.07Å; S602-D604 PolarHBondContact OG-OD2 3.2Å; D604-K606 PolarHBondContact O-N 3.13Å; D604-I607 PolarHBondContact O-N 3.07Å; D604-I607 VanDerWaalsContact O-N 3.11Å
605D76.8Confident67.4Low169 Ų169125.4 Ų125.490%0.90472%0.715SS**G310 helixtrans-63.3-23.3175.9-65.2-17.5000113.3L603L603-D605 PolarHBondContact O-N 3.07Å
606K81.4Confident65.1Low176 Ų176130.3 Ų130.377%0.76573%0.732SS**G310 helixtrans-89.8-20.4177-64.1-167.4-179.6-178.70112.9L603 D604 G608L603-K606 HydrophobicContact CD2-CD 4.29Å; L603-K606 WeakPolarHBondContact O-CA 3.17Å; L603-K606 WeakPolarHBondContact O-CB 3.33Å; L603-K606 PolarHBondContact O-N 3.06Å; D604-K606 PolarHBondContact O-N 3.13Å; K606-G608 PolarHBondContact O-N 3.15Å
607I73.2Confident62.8Low110 Ų110129.2 Ų129.256%0.56473%0.734SS**SBendtrans-96.677.4-178.1-53.5172.1000106.8L603 D604 L609L603-I607 PolarHBondContact O-N 3.47Å; D604-I607 PolarHBondContact O-N 3.07Å; D604-I607 VanDerWaalsContact O-N 3.11Å; I607-L609 PolarHBondContact O-N 3.34Å
608G56.6Low60.3Low70 Ų70127.7 Ų127.772%0.72274%0.741SS**  trans-48.6108.3176.700000111.2K606 K610K606-G608 PolarHBondContact O-N 3.15Å; G608-K610 VanDerWaalsContact C-N 3.31Å; G608-K610 PolarHBondContact O-N 2.83Å
609L52.8Low57.9Low170 Ų170126.1 Ų126.189%0.8975%0.747SS**  trans-65.981-174.3-70.5159.6000111.2I607 A611I607-L609 PolarHBondContact O-N 3.34Å; L609-A611 PolarHBondContact O-N 2.97Å
610K44.9Very low56.1Low205 Ų205126.2 Ų126.289%0.89175%0.746SS**  trans-83.392.5157.2-87.2-172176.9179.30108.9G608 S612G608-K610 VanDerWaalsContact C-N 3.31Å; G608-K610 PolarHBondContact O-N 2.83Å; K610-S612 PolarHBondContact O-N 3.01Å
611A40.6Very low54.1Low96 Ų96125.3 Ų125.379%0.79375%0.754SS**  trans-51.7118.3156.600000110.2L609L609-A611 PolarHBondContact O-N 2.97Å
612S39.7Very low52.2Low111 Ų111123.7 Ų123.778%0.77676%0.756SS**  trans175.9124136.854.90000111.7K610K610-S612 PolarHBondContact O-N 3.01Å
613A36.5Very low50.4Low91 Ų91127 Ų12775%0.75277%0.767SS**  trans83.9124.4149.400000119S615A613-S615 PolarHBondContact O-N 3.12Å
614P44.5Very low48.5Very low134 Ų134130.2 Ų130.287%0.8778%0.781SS**  trans-86.996.1179.334.7-29.4000109.5K616P614-K616 PolarHBondContact O-N 2.86Å
615S34.3Very low46.7Very low105 Ų105135.6 Ų135.673%0.73479%0.793SS**  trans-86.9110.2165.461.20000109.4A613 S617A613-S615 PolarHBondContact O-N 3.12Å; S615-S617 PolarHBondContact O-N 2.72Å; S615-S617 VanDerWaalsContact O-N 3.16Å
616K33.7Very low45.3Very low212 Ų212130.4 Ų130.492%0.92278%0.779SS**  trans-45.1116154.8-70.7173.3175.3176.30109.7P614P614-K616 PolarHBondContact O-N 2.86Å
617S34.7Very low43.4Very low99 Ų99133.1 Ų133.169%0.69278%0.784SS**  trans-135.396.9154.957.10000105.5S615 G619S615-S617 PolarHBondContact O-N 2.72Å; S615-S617 VanDerWaalsContact O-N 3.16Å; S617-G619 PolarHBondContact O-N 2.96Å
618S32.1Very low42Very low124 Ų124134.9 Ų134.987%0.86779%0.794SS**  43.371.493.3-170.90000111
619G35.7Very low41.5Very low57 Ų57142.5 Ų142.559%0.58880%0.801SS**  trans-103.2119.3171.900000109.5S617 T621S617-G619 PolarHBondContact O-N 2.96Å; G619-T621 PolarHBondContact O-N 3.29Å
620L45Very low40.7Very low162 Ų162145.7 Ų145.785%0.84880%0.802SS**SBendtrans-6335.2-173.1-105.1146.8000116.5
621T44Very low40.2Very low134 Ų134139 Ų13982%0.82279%0.791SS**  trans-92.9-0.1179.449.80000114.1G619G619-T621 PolarHBondContact O-N 3.29Å
622G41.8Very low39.9Very low74 Ų74139.7 Ų139.776%0.76379%0.79SS**SBendtrans-81.5-14.8-179.700000116.3
623L45.3Very low39.7Very low152 Ų152142 Ų14280%0.79679%0.788SS**SBendtrans-103.4-6.4-169.9-138.978.3000115.8
624M42.9Very low39.7Very low167 Ų167143.6 Ų143.682%0.82379%0.791SS**SBendtrans-110.4-3-172.8-136.2175.2-172.600115.8
625R43.6Very low39.5Very low230 Ų230142.8 Ų142.887%0.86878%0.784SS**SBendtrans-93.8-14.3175.5-100.7-175.9176.7-136.10.4115.2
626G47.6Very low39.5Very low59 Ų59147.2 Ų147.261%0.60879%0.793SS**SBendtrans-89.1-20.1-178.300000115.5
627W42.4Very low39.8Very low233 Ų233146.2 Ų146.288%0.88381%0.812SS**THydrogen-bonded Turntrans-82.8-18.6-172.7-168.439.7000114
628L43.2Very low40.1Very low148 Ų148148.6 Ų148.678%0.77582%0.818SS**THydrogen-bonded Turntrans-92-4-179.9-140.885.1000114.5
629W45.9Very low40.5Very low229 Ų229149.8 Ų149.887%0.86782%0.816SS**SBendtrans-134.730.3-173.6-76.190.7000114.9
630R35.5Very low40.8Very low238 Ų238155 Ų15590%0.89883%0.828SS**  trans-149.883.2167-157.8178.2-178.7-161.4-0.9114.1
631G36.1Very low40.5Very low64 Ų64154.6 Ų154.666%0.6683%0.827SS**  trans-135.4105.4142.800000106
632S34.1Very low40.3Very low110 Ų110155.9 Ų155.977%0.76983%0.828SS**  41.7115.886.968.10000110.9
633E34Very low40.2Very low160 Ų160161.3 Ų161.375%0.74883%0.832SS**  cis-1751615.4-134.4170.1-14400103.3
634P37.5Very low39.9Very low125 Ų125162 Ų16281%0.81283%0.834SS**  -145141.181.432.3-12.7000113.9
635T41.2Very low39.6Very low116 Ų116161.6 Ų161.671%0.71284%0.835SS**  trans-71.3134.9163.444.20000110.5
636E32.8Very low39.3Very low198 Ų198155.9 Ų155.993%0.92583%0.833SS**  trans-58126.7171.4-65168.1146.100112
637S41.4Very low38.5Very low191 Ų191164.7 Ų164.7100%1.33685%0.853SS**  trans-147.60136.865.80000108.3

Retrieved 637 of 637 residues in 154.7 ms (Link to these results)

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