A0A3Q0KNF0_SCHMA Loading...

Rif1_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,188 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low62.5Low154 Ų15485.8 Ų85.876%0.75947%0.469SS*.  0101.40-69.9-177.8173.300107.4T9 L13M1-T9 HydrophobicContact CE-CG2 3.79Å; M1-T9 HydrophobicContact CG-CG2 4.29Å; M1-T9 HydrophobicContact SD-CG2 3.62Å; M1-L13 HydrophobicContact CE-CD2 4.3Å
2T43.1Very low64Low118 Ų11889.8 Ų89.872%0.72447%0.474SS*.  trans-73.1139.1179.934.90000109.9G4T2-G4 PolarHBondContact O-N 2.99Å
3E48.5Very low65.2Low180 Ų18083.3 Ų83.384%0.84144%0.439SS*.THydrogen-bonded Turntrans-61.9-1.7-169.6-72.9-176.7137.300116.7
4G57Low66.1Low69 Ų6980.1 Ų80.171%0.71143%0.427SS*.THydrogen-bonded Turntrans-109.7-16-168.300000116.4T2T2-G4 PolarHBondContact O-N 2.99Å
5D64.6Low67Low78 Ų7883.1 Ų83.142%0.41744%0.435SS..  trans-126.977.4-166-160.910.4000110.6E7 S8 T9D5-E7 PolarHBondContact O-N 3.39Å; D5-S8 WeakPolarHBondContact CB-OG 3.4Å; D5-S8 PolarHBondContact O-N 3.22Å; D5-S8 PolarHBondContact O-OG 3.09Å; D5-S8 VanDerWaalsContact O-OG 3.06Å; D5-S8 WeakPolarHBondContact OD2-CB 3.49Å; D5-S8 PolarHBondContact OD2-OG 3.24Å; D5-T9 PolarHBondContact O-N 3.17Å; D5-T9 VanDerWaalsContact O-N 3.14Å; D5-T9 PolarHBondContact O-OG1 3.3Å; D5-T9 VanDerWaalsContact O-OG1 3.11Å
6H66.2Low67.7Low42 Ų4280.9 Ų80.919%0.19442%0.423CS..Hα-helixtrans-55.9-40.5176.8-63.4-58.6000110.8T9 I10 L39 R42 E50H6-T9 PolarHBondContact O-N 2.89Å; H6-I10 VanDerWaalsContact O-CG1 3.31Å; H6-I10 WeakPolarHBondContact O-CG1 3.35Å; H6-I10 PolarHBondContact O-N 3.34Å; H6-L39 WeakPolarHBondContact ND1-CD2 3.5Å; H6-R42 PolarHBondContact CE1-NH1 2.86Å; H6-E50 IonicContact CD2-OE1 3.86Å; H6-E50 PolarHBondContact CD2-OE1 2.81Å; H6-E50 IonicContact CG-OE1 2.98Å
7E68Low68.1Low105 Ų10576.4 Ų76.449%0.49140%0.4SS..Hα-helixtrans-64.3-43.4-179-160.4-175156.900111.9D5 I10 K11D5-E7 PolarHBondContact O-N 3.39Å; E7-I10 PolarHBondContact O-N 3.36Å; E7-K11 HydrophobicContact CG-CD 4.46Å; E7-K11 WeakPolarHBondContact O-CB 3.45Å; E7-K11 VanDerWaalsContact O-CG 3.32Å; E7-K11 WeakPolarHBondContact O-CG 3.27Å; E7-K11 PolarHBondContact O-N 3.43Å; E7-K11 VanDerWaalsContact OE1-CE 3.28Å; E7-K11 WeakPolarHBondContact OE1-CE 3.5Å; E7-K11 IonicContact OE1-NZ 3.6Å; E7-K11 PolarHBondContact OE1-NZ 2.82Å
8S72.4Confident68.6Low48 Ų4878 Ų7834%0.33641%0.409SS..Hα-helixtrans-69.5-33176.162.80000113D5 Y12D5-S8 WeakPolarHBondContact CB-OG 3.4Å; D5-S8 PolarHBondContact O-N 3.22Å; D5-S8 PolarHBondContact O-OG 3.09Å; D5-S8 VanDerWaalsContact O-OG 3.06Å; D5-S8 WeakPolarHBondContact OD2-CB 3.49Å; D5-S8 PolarHBondContact OD2-OG 3.24Å; S8-Y12 VanDerWaalsContact O-CB 3.23Å; S8-Y12 WeakPolarHBondContact O-CB 3.35Å; S8-Y12 PolarHBondContact O-N 3.07Å
9T75.2Confident69.1Low16 Ų1679.4 Ų79.410%0.09842%0.417CS..Hα-helixtrans-63.7-46.8174.2-56.30000110.8M1 D5 H6 Y12 L13 L39M1-T9 HydrophobicContact CE-CG2 3.79Å; M1-T9 HydrophobicContact CG-CG2 4.29Å; M1-T9 HydrophobicContact SD-CG2 3.62Å; D5-T9 PolarHBondContact O-N 3.17Å; D5-T9 VanDerWaalsContact O-N 3.14Å; D5-T9 PolarHBondContact O-OG1 3.3Å; D5-T9 VanDerWaalsContact O-OG1 3.11Å; H6-T9 PolarHBondContact O-N 2.89Å; T9-Y12 PolarHBondContact O-N 3.38Å; T9-L13 HydrophobicContact CG2-CD1 4.33Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.05Å; T9-L39 HydrophobicContact CG2-CD1 4.13Å
10I73.7Confident69.2Low8 Ų876.8 Ų76.84%0.04141%0.405CS..Hα-helixtrans-66.8-43.6179.1-62.8161.9000110.8H6 E7 Y12 L13 S14 L39 I54 T57H6-I10 VanDerWaalsContact O-CG1 3.31Å; H6-I10 WeakPolarHBondContact O-CG1 3.35Å; H6-I10 PolarHBondContact O-N 3.34Å; E7-I10 PolarHBondContact O-N 3.36Å; I10-Y12 VanDerWaalsContact C-N 3.29Å; I10-Y12 PolarHBondContact O-N 3.18Å; I10-L13 PolarHBondContact O-N 3.08Å; I10-S14 WeakPolarHBondContact O-CB 3.4Å; I10-S14 PolarHBondContact O-N 3.25Å; I10-L39 HydrophobicContact CG1-CD1 4Å; I10-I54 HydrophobicContact CD1-CD1 4.43Å; I10-I54 HydrophobicContact CD1-CG1 3.69Å; I10-I54 HydrophobicContact CG1-CG1 4.23Å; I10-T57 VanDerWaalsContact CG2-OG1 3.32Å; I10-T57 WeakPolarHBondContact CG2-OG1 3.21Å
11K77.4Confident69.1Low126 Ų12681 Ų8155%0.54842%0.42SS..Hα-helixtrans-58.9-40174-76.8176.6-176.3167.30112.3E7 S14 F15E7-K11 HydrophobicContact CG-CD 4.46Å; E7-K11 WeakPolarHBondContact O-CB 3.45Å; E7-K11 VanDerWaalsContact O-CG 3.32Å; E7-K11 WeakPolarHBondContact O-CG 3.27Å; E7-K11 PolarHBondContact O-N 3.43Å; E7-K11 VanDerWaalsContact OE1-CE 3.28Å; E7-K11 WeakPolarHBondContact OE1-CE 3.5Å; E7-K11 IonicContact OE1-NZ 3.6Å; E7-K11 PolarHBondContact OE1-NZ 2.82Å; K11-S14 PolarHBondContact O-N 3.24Å; K11-F15 WeakPolarHBondContact O-CB 3.42Å; K11-F15 PolarHBondContact O-N 3.34Å
12Y80.6Confident70Confident134 Ų13481.4 Ų81.453%0.52542%0.42SS..Hα-helixtrans-66.6-42.3176.4-178.9-105.3000112.1S8 T9 I10 F15 I16S8-Y12 VanDerWaalsContact O-CB 3.23Å; S8-Y12 WeakPolarHBondContact O-CB 3.35Å; S8-Y12 PolarHBondContact O-N 3.07Å; T9-Y12 PolarHBondContact O-N 3.38Å; I10-Y12 VanDerWaalsContact C-N 3.29Å; I10-Y12 PolarHBondContact O-N 3.18Å; Y12-F15 PolarHBondContact O-N 3.31Å; Y12-I16 HydrophobicContact CD1-CD1 3.69Å; Y12-I16 HydrophobicContact CD1-CG1 4.48Å; Y12-I16 HydrophobicContact CE1-CD1 3.25Å; Y12-I16 HydrophobicContact CE1-CG1 4.14Å; Y12-I16 HydrophobicContact CG-CD1 4.48Å; Y12-I16 WeakPolarHBondContact O-CG1 3.44Å; Y12-I16 PolarHBondContact O-N 2.97Å
13L79Confident70.9Confident5 Ų582.4 Ų82.43%0.02642%0.421CS..Hα-helixtrans-63-43.8174.3-68171.1000111.3M1 T9 I10 F15 I16 L17 V32 L36 T57M1-L13 HydrophobicContact CE-CD2 4.3Å; T9-L13 HydrophobicContact CG2-CD1 4.33Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 3.05Å; I10-L13 PolarHBondContact O-N 3.08Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.47Å; L13-I16 WeakPolarHBondContact O-CB 3.37Å; L13-I16 PolarHBondContact O-N 3.4Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.01Å; L13-V32 HydrophobicContact CD2-CG1 4.42Å; L13-V32 HydrophobicContact CD2-CG2 4.04Å; L13-L36 HydrophobicContact CD1-CD2 3.79Å; L13-L36 HydrophobicContact CD1-CG 4.16Å; L13-T57 HydrophobicContact CB-CG2 4.23Å
14S77.8Confident71.8Confident38 Ų3875.8 Ų75.827%0.26639%0.394SS..Hα-helixtrans-59.2-45174.2-161.70000111.4I10 K11 I16 L17 D18I10-S14 WeakPolarHBondContact O-CB 3.4Å; I10-S14 PolarHBondContact O-N 3.25Å; K11-S14 PolarHBondContact O-N 3.24Å; S14-I16 VanDerWaalsContact C-N 3.33Å; S14-I16 PolarHBondContact O-N 3.09Å; S14-L17 WeakPolarHBondContact O-CB 3.25Å; S14-L17 PolarHBondContact O-N 3.19Å; S14-L17 VanDerWaalsContact O-N 3.11Å; S14-D18 PolarHBondContact O-N 2.76Å
15F79.8Confident72.2Confident126 Ų12672.6 Ų72.655%0.55336%0.361SS*.Hα-helixtrans-62.8-36.3176.6179.2-95.1000112.9K11 Y12 L13 L17 N19K11-F15 WeakPolarHBondContact O-CB 3.42Å; K11-F15 PolarHBondContact O-N 3.34Å; Y12-F15 PolarHBondContact O-N 3.31Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-F15 PolarHBondContact O-N 3.47Å; F15-L17 VanDerWaalsContact C-N 3.32Å; F15-N19 WeakPolarHBondContact CD2-ND2 3.5Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.29Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.35Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.35Å; F15-N19 PolarHBondContact O-N 3.45Å; F15-N19 PolarHBondContact O-ND2 2.87Å
16I78.6Confident72.2Confident47 Ų4775.3 Ų75.324%0.24137%0.367CS..Hα-helixtrans-62.7-43.7173.3-71.9164.9000110.2Y12 L13 S14 N19 C20 V28Y12-I16 HydrophobicContact CD1-CD1 3.69Å; Y12-I16 HydrophobicContact CD1-CG1 4.48Å; Y12-I16 HydrophobicContact CE1-CD1 3.25Å; Y12-I16 HydrophobicContact CE1-CG1 4.14Å; Y12-I16 HydrophobicContact CG-CD1 4.48Å; Y12-I16 WeakPolarHBondContact O-CG1 3.44Å; Y12-I16 PolarHBondContact O-N 2.97Å; L13-I16 WeakPolarHBondContact O-CB 3.37Å; L13-I16 PolarHBondContact O-N 3.4Å; S14-I16 VanDerWaalsContact C-N 3.33Å; S14-I16 PolarHBondContact O-N 3.09Å; I16-N19 PolarHBondContact O-N 2.95Å; I16-C20 WeakPolarHBondContact O-CB 3.43Å; I16-C20 PolarHBondContact O-N 3.45Å; I16-V28 HydrophobicContact CG2-CG1 3.7Å; I16-V28 HydrophobicContact CG2-CG2 4.43Å
17L74.8Confident72.3Confident4 Ų478.3 Ų78.32%0.02138%0.383CS..Hα-helixtrans-65.5-46-179.7-68.4174.1000111.6L13 S14 F15 N19 C20 V28 V32 T57 H60 L61 I64L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.01Å; S14-L17 WeakPolarHBondContact O-CB 3.25Å; S14-L17 PolarHBondContact O-N 3.19Å; S14-L17 VanDerWaalsContact O-N 3.11Å; F15-L17 VanDerWaalsContact C-N 3.32Å; L17-N19 PolarHBondContact O-N 3.32Å; L17-C20 WeakPolarHBondContact O-CB 3.31Å; L17-C20 PolarHBondContact O-N 3.45Å; L17-V28 HydrophobicContact CD2-CG1 4.24Å; L17-V32 HydrophobicContact CD1-CG1 4.32Å; L17-V32 HydrophobicContact CD2-CG2 4.34Å; L17-T57 HydrophobicContact CD1-CG2 3.65Å; L17-H60 WeakPolarHBondContact CB-CD2 3.32Å; L17-L61 HydrophobicContact CD1-CB 4.04Å; L17-L61 HydrophobicContact CD2-CB 4.44Å; L17-L61 HydrophobicContact CD2-CD1 3.62Å; L17-I64 HydrophobicContact CB-CD1 3.8Å; L17-I64 HydrophobicContact CD2-CD1 4.26Å; L17-I64 WeakPolarHBondContact O-CD1 3.16Å
18D76.8Confident72.5Confident106 Ų10674.4 Ų74.457%0.56737%0.367SS*.Hα-helixtrans-58.8-30.8177.7-71.2-38.5000112.9S14 H60S14-D18 PolarHBondContact O-N 2.76Å; D18-H60 IonicContact OD1-CE1 3.11Å; D18-H60 IonicContact OD1-NE2 3.83Å; D18-H60 PolarHBondContact OD1-NE2 3.22Å
19N77.3Confident72.6Confident104 Ų10472.3 Ų72.356%0.55635%0.352SS*.THydrogen-bonded Turntrans-98.81.7-180-68.2-70.3000113.6F15 I16 L17 K21F15-N19 WeakPolarHBondContact CD2-ND2 3.5Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.29Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.35Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.35Å; F15-N19 PolarHBondContact O-N 3.45Å; F15-N19 PolarHBondContact O-ND2 2.87Å; I16-N19 PolarHBondContact O-N 2.95Å; L17-N19 PolarHBondContact O-N 3.32Å; N19-K21 PolarHBondContact O-N 3.36Å
20C72.1Confident72.4Confident27 Ų2774.7 Ų74.718%0.18236%0.364CS..  trans-76.2126.6-178.2-1460000109.8I16 L17I16-C20 WeakPolarHBondContact O-CB 3.43Å; I16-C20 PolarHBondContact O-N 3.45Å; L17-C20 WeakPolarHBondContact O-CB 3.31Å; L17-C20 PolarHBondContact O-N 3.45Å
21K66.9Low72.6Confident165 Ų16580.6 Ų80.672%0.71739%0.391SS*.  trans-71.2145.1168.5-66.9-175177.6-177.80108.9N19 N23 S24N19-K21 PolarHBondContact O-N 3.36Å; K21-N23 PolarHBondContact O-N 3.36Å; K21-S24 PolarHBondContact N-OG 3.38Å; K21-S24 PolarHBondContact O-N 3.41Å; K21-S24 PolarHBondContact O-OG 2.92Å
22E61.2Low72.6Confident163 Ų16374.8 Ų74.876%0.76237%0.366SS*.G310 helixtrans-48-35.9177.4-72.6-179.9163.600113S24 V25E22-S24 PolarHBondContact O-N 2.91Å; E22-V25 WeakPolarHBondContact O-CG2 3.46Å
23N61.8Low72.4Confident139 Ų13968.5 Ų68.574%0.74334%0.342SS*.G310 helixtrans-73.9-21178.6-71.3-13.2000114.2K21 Y26K21-N23 PolarHBondContact O-N 3.36Å; N23-Y26 WeakPolarHBondContact O-CD1 3.48Å; N23-Y26 WeakPolarHBondContact O-CE1 3.49Å
24S67.3Low72.3Confident41 Ų4172.4 Ų72.429%0.28736%0.363SS..G310 helixtrans-93.9-3.7-177.836.40000114.3K21 E22 Y26 L27K21-S24 PolarHBondContact N-OG 3.38Å; K21-S24 PolarHBondContact O-N 3.41Å; K21-S24 PolarHBondContact O-OG 2.92Å; E22-S24 PolarHBondContact O-N 2.91Å; S24-Y26 VanDerWaalsContact C-N 3.26Å; S24-Y26 PolarHBondContact O-N 2.79Å; S24-L27 PolarHBondContact O-N 3.15Å; S24-L27 VanDerWaalsContact O-N 3.16Å
25V65.8Low72.5Confident3 Ų372 Ų722%0.01836%0.359CS..Hα-helixtrans-58.9-37.6-172.3178.60000112.4E22 L27 V28 F29 I64 V68E22-V25 WeakPolarHBondContact O-CG2 3.46Å; V25-L27 PolarHBondContact O-N 3.28Å; V25-V28 PolarHBondContact O-N 3.05Å; V25-V28 VanDerWaalsContact O-N 3.14Å; V25-F29 WeakPolarHBondContact O-CB 3.05Å; V25-F29 PolarHBondContact O-N 3.07Å; V25-I64 HydrophobicContact CB-CG2 4.06Å; V25-I64 HydrophobicContact CG1-CG2 3.71Å; V25-I64 HydrophobicContact CG2-CG2 3.16Å; V25-V68 HydrophobicContact CG1-CG2 4.3Å
26Y63.5Low72.3Confident134 Ų13466 Ų6653%0.52533%0.333SS..Hα-helixtrans-61.8-26.3-178.368.3-100.1000114.2N23 S24 R70N23-Y26 WeakPolarHBondContact O-CD1 3.48Å; N23-Y26 WeakPolarHBondContact O-CE1 3.49Å; S24-Y26 VanDerWaalsContact C-N 3.26Å; S24-Y26 PolarHBondContact O-N 2.79Å; Y26-R70 PolarHBondContact O-NH2 3.16Å
27L68.6Low72.2Confident105 Ų10566.8 Ų66.855%0.5533%0.333SS..Hα-helixtrans-82.5-35.2177.9-95.4144.9000111.7S24 V25S24-L27 PolarHBondContact O-N 3.15Å; S24-L27 VanDerWaalsContact O-N 3.16Å; V25-L27 PolarHBondContact O-N 3.28Å
28V72.6Confident72.3Confident23 Ų2369.5 Ų69.514%0.13935%0.353CS..Hα-helixtrans-83.2-30.7-173.8175.30000111I16 L17 V25 D30 Q31 V32I16-V28 HydrophobicContact CG2-CG1 3.7Å; I16-V28 HydrophobicContact CG2-CG2 4.43Å; L17-V28 HydrophobicContact CD2-CG1 4.24Å; V25-V28 PolarHBondContact O-N 3.05Å; V25-V28 VanDerWaalsContact O-N 3.14Å; V28-D30 PolarHBondContact O-N 3.48Å; V28-Q31 PolarHBondContact O-N 3.33Å; V28-V32 HydrophobicContact CG1-CG2 3.39Å; V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 3.04Å
29F73.2Confident72.3Confident5 Ų564.8 Ų64.82%0.02233%0.327CS..Hα-helixtrans-54.7-54.9-172.6-172.6-83.4000114.2V25 Q31 V32 H33 L61 F62 S65 A73V25-F29 WeakPolarHBondContact O-CB 3.05Å; V25-F29 PolarHBondContact O-N 3.07Å; F29-Q31 VanDerWaalsContact C-N 3.29Å; F29-Q31 PolarHBondContact O-N 3.38Å; F29-V32 PolarHBondContact O-N 3.36Å; F29-H33 HydrophobicContact CE1-CB 4.35Å; F29-H33 WeakPolarHBondContact O-CB 3.49Å; F29-H33 PolarHBondContact O-N 3.39Å; F29-L61 HydrophobicContact CB-CD1 4.48Å; F29-L61 HydrophobicContact CD2-CD1 3.68Å; F29-L61 HydrophobicContact CD2-CD2 4.06Å; F29-L61 HydrophobicContact CD2-CG 3.77Å; F29-L61 HydrophobicContact CE2-CD1 4.26Å; F29-L61 HydrophobicContact CE2-CD2 3.95Å; F29-L61 HydrophobicContact CE2-CG 3.81Å; F29-L61 HydrophobicContact CG-CD1 4.32Å; F29-L61 HydrophobicContact CZ-CD2 4.42Å; F29-F62 HydrophobicContact CE2-CD1 4.11Å; F29-F62 HydrophobicContact CE2-CE1 4.16Å; F29-F62 HydrophobicContact CZ-CD1 4.33Å; F29-F62 AromaticContact CZ-CE1 3.95Å; F29-F62 HydrophobicContact CZ-CE1 3.95Å; F29-S65 WeakPolarHBondContact CE2-OG 3.35Å; F29-A73 HydrophobicContact CE1-CB 3.66Å; F29-A73 HydrophobicContact CZ-CB 4.36Å
30D72.5Confident72Confident65 Ų6560.2 Ų60.235%0.34830%0.303SS..Hα-helixtrans-65.2-35.6-178.5-68.4-32.8000111.9V28 N34 R70V28-D30 PolarHBondContact O-N 3.48Å; D30-N34 WeakPolarHBondContact O-CB 3.42Å; D30-N34 PolarHBondContact O-N 3.1Å; D30-N34 PolarHBondContact O-ND2 2.73Å; D30-R70 IonicContact OD1-CZ 2.85Å; D30-R70 IonicContact OD1-NH1 2.65Å; D30-R70 PolarHBondContact OD1-NH1 3.22Å; D30-R70 IonicContact OD2-CZ 2.65Å; D30-R70 IonicContact OD2-NH1 3.7Å; D30-R70 PolarHBondContact OD2-NH1 3Å; D30-R70 IonicContact OD2-NH2 3.54Å
31Q76.3Confident71.9Confident133 Ų13362.3 Ų62.362%0.62131%0.312SS*.Hα-helixtrans-68-44.9180-67.9-173.2-10.800111V28 F29 S35V28-Q31 PolarHBondContact O-N 3.33Å; F29-Q31 VanDerWaalsContact C-N 3.29Å; F29-Q31 PolarHBondContact O-N 3.38Å; Q31-S35 VanDerWaalsContact O-CB 3.3Å; Q31-S35 WeakPolarHBondContact O-CB 3.43Å; Q31-S35 PolarHBondContact O-N 2.93Å; Q31-S35 PolarHBondContact O-OG 2.98Å
32V77.6Confident72Confident3 Ų359.9 Ų59.92%0.01830%0.298CS..Hα-helixtrans-67.8-48.2177177.20000110.2L13 L17 V28 F29 N34 S35 L36 L61L13-V32 HydrophobicContact CD2-CG1 4.42Å; L13-V32 HydrophobicContact CD2-CG2 4.04Å; L17-V32 HydrophobicContact CD1-CG1 4.32Å; L17-V32 HydrophobicContact CD2-CG2 4.34Å; V28-V32 HydrophobicContact CG1-CG2 3.39Å; V28-V32 WeakPolarHBondContact O-CG2 3.35Å; V28-V32 PolarHBondContact O-N 3.04Å; F29-V32 PolarHBondContact O-N 3.36Å; V32-N34 PolarHBondContact O-N 3.42Å; V32-S35 PolarHBondContact O-N 3.47Å; V32-S35 VanDerWaalsContact O-N 3.16Å; V32-L36 HydrophobicContact CG1-CD1 3.76Å; V32-L36 HydrophobicContact CG1-CG 4.14Å; V32-L36 WeakPolarHBondContact O-CB 3.36Å; V32-L36 WeakPolarHBondContact O-CG 3.34Å; V32-L36 PolarHBondContact O-N 3.17Å; V32-L61 HydrophobicContact CB-CD1 4.16Å; V32-L61 HydrophobicContact CB-CD2 4.35Å; V32-L61 HydrophobicContact CG1-CD1 4.16Å; V32-L61 HydrophobicContact CG1-CD2 4.03Å
33H76.4Confident71.8Confident3 Ų362.6 Ų62.61%0.01431%0.307CS..Hα-helixtrans-56.4-49.6178.217478.7000111.8F29 S35 L36 R37 Y58 L61F29-H33 HydrophobicContact CE1-CB 4.35Å; F29-H33 WeakPolarHBondContact O-CB 3.49Å; F29-H33 PolarHBondContact O-N 3.39Å; H33-S35 VanDerWaalsContact C-N 3.32Å; H33-S35 PolarHBondContact O-N 2.95Å; H33-L36 PolarHBondContact O-N 2.91Å; H33-R37 WeakPolarHBondContact O-CB 3.43Å; H33-R37 PolarHBondContact O-N 3.35Å; H33-Y58 AromaticContact ND1-CE1 3.57Å; H33-Y58 PolarHBondContact O-OH 3.46Å; H33-L61 HydrophobicContact CB-CD2 4.31Å
34N78.1Confident71.8Confident87 Ų8764.2 Ų64.247%0.46531%0.308SS..Hα-helixtrans-64.6-36.5178.2-73.6-40.2000112.3D30 V32 S38D30-N34 WeakPolarHBondContact O-CB 3.42Å; D30-N34 PolarHBondContact O-N 3.1Å; D30-N34 PolarHBondContact O-ND2 2.73Å; V32-N34 PolarHBondContact O-N 3.42Å; N34-S38 VanDerWaalsContact O-CB 3.3Å; N34-S38 WeakPolarHBondContact O-CB 3.2Å; N34-S38 PolarHBondContact O-N 2.78Å; N34-S38 PolarHBondContact O-OG 3.11Å
35S80.8Confident71.6Confident28 Ų2870.4 Ų70.420%0.19633%0.33CS..Hα-helixtrans-66-48177.1-60.80000111.3Q31 V32 H33 S38 L39Q31-S35 VanDerWaalsContact O-CB 3.3Å; Q31-S35 WeakPolarHBondContact O-CB 3.43Å; Q31-S35 PolarHBondContact O-N 2.93Å; Q31-S35 PolarHBondContact O-OG 2.98Å; V32-S35 PolarHBondContact O-N 3.47Å; V32-S35 VanDerWaalsContact O-N 3.16Å; H33-S35 VanDerWaalsContact C-N 3.32Å; H33-S35 PolarHBondContact O-N 2.95Å; S35-S38 PolarHBondContact O-N 2.7Å; S35-S38 PolarHBondContact O-OG 3.38Å; S35-L39 WeakPolarHBondContact O-CG 3.44Å; S35-L39 PolarHBondContact O-N 2.9Å; S35-L39 VanDerWaalsContact O-N 3.09Å
36L76.5Confident71.6Confident0 Ų072.3 Ų72.30%034%0.339CS..Hα-helixtrans-63.2-44.8176.9-67.6175.5000111.5L13 V32 H33 S38 L39 L40 I54 T57 Y58L13-L36 HydrophobicContact CD1-CD2 3.79Å; L13-L36 HydrophobicContact CD1-CG 4.16Å; V32-L36 HydrophobicContact CG1-CD1 3.76Å; V32-L36 HydrophobicContact CG1-CG 4.14Å; V32-L36 WeakPolarHBondContact O-CB 3.36Å; V32-L36 WeakPolarHBondContact O-CG 3.34Å; V32-L36 PolarHBondContact O-N 3.17Å; H33-L36 PolarHBondContact O-N 2.91Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.37Å; L36-L39 WeakPolarHBondContact O-CB 3.36Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-L39 VanDerWaalsContact O-N 3.07Å; L36-L40 WeakPolarHBondContact O-CB 3.38Å; L36-L40 PolarHBondContact O-N 3.41Å; L36-I54 HydrophobicContact CB-CG2 4.38Å; L36-I54 HydrophobicContact CD2-CG2 4.25Å; L36-T57 HydrophobicContact CD1-CG2 3.97Å; L36-T57 HydrophobicContact CD2-CG2 4.11Å; L36-Y58 HydrophobicContact CB-CD2 4.22Å; L36-Y58 HydrophobicContact CB-CE1 4.14Å; L36-Y58 HydrophobicContact CB-CE2 3.47Å; L36-Y58 VanDerWaalsContact CB-CE2 3.47Å; L36-Y58 VanDerWaalsContact CB-CZ 3.42Å; L36-Y58 WeakPolarHBondContact CB-OH 3.47Å; L36-Y58 HydrophobicContact CD1-CD1 3.82Å; L36-Y58 HydrophobicContact CD1-CD2 3.82Å; L36-Y58 HydrophobicContact CD1-CE1 3.84Å; L36-Y58 HydrophobicContact CD1-CE2 3.88Å; L36-Y58 HydrophobicContact CD1-CG 3.81Å; L36-Y58 HydrophobicContact CG-CE2 4.27Å
37R76.2Confident72.1Confident65 Ų6572.8 Ų72.825%0.24534%0.344CS..Hα-helixtrans-58.9-42.9175.4-179.1175-171.3-161.47.1112.2H33 L39 L40 L41 Y58 E76 D80H33-R37 WeakPolarHBondContact O-CB 3.43Å; H33-R37 PolarHBondContact O-N 3.35Å; R37-L39 VanDerWaalsContact C-N 3.27Å; R37-L39 PolarHBondContact O-N 2.68Å; R37-L40 PolarHBondContact O-N 2.81Å; R37-L41 HydrophobicContact CG-CD1 3.79Å; R37-L41 HydrophobicContact CG-CG 4.33Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 PolarHBondContact O-N 2.9Å; R37-Y58 PolarHBondContact N-OH 3.46Å; R37-Y58 VanDerWaalsContact N-OH 3.16Å; R37-E76 IonicContact CZ-OE2 2.71Å; R37-E76 IonicContact NH1-OE2 2.68Å; R37-E76 PolarHBondContact NH1-OE2 3.34Å; R37-D80 WeakPolarHBondContact CD-OD2 3.28Å; R37-D80 WeakPolarHBondContact CG-OD2 3.36Å; R37-D80 IonicContact CZ-OD1 3.83Å; R37-D80 IonicContact CZ-OD2 3.69Å; R37-D80 IonicContact NE-OD1 2.83Å; R37-D80 PolarHBondContact NE-OD1 3Å; R37-D80 IonicContact NE-OD2 3.38Å; R37-D80 PolarHBondContact NE-OD2 2.68Å; R37-D80 IonicContact NH2-OD1 3.44Å; R37-D80 PolarHBondContact NH2-OD1 2.79Å
38S77.8Confident72.2Confident61 Ų6170.5 Ų70.543%0.42733%0.333SS..Hα-helixtrans-64.8-31.1176.480.70000112.8N34 S35 L36 R42N34-S38 VanDerWaalsContact O-CB 3.3Å; N34-S38 WeakPolarHBondContact O-CB 3.2Å; N34-S38 PolarHBondContact O-N 2.78Å; N34-S38 PolarHBondContact O-OG 3.11Å; S35-S38 PolarHBondContact O-N 2.7Å; S35-S38 PolarHBondContact O-OG 3.38Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.37Å; S38-R42 WeakPolarHBondContact O-CD 3.39Å; S38-R42 WeakPolarHBondContact O-CG 3.28Å
39L75.4Confident72.3Confident7 Ų774.5 Ų74.54%0.03735%0.353CS..Hα-helixtrans-72.5-42.2173.2-72.1166.6000110.9H6 T9 I10 S35 L36 R37 I54H6-L39 WeakPolarHBondContact ND1-CD2 3.5Å; T9-L39 HydrophobicContact CG2-CD1 4.13Å; I10-L39 HydrophobicContact CG1-CD1 4Å; S35-L39 WeakPolarHBondContact O-CG 3.44Å; S35-L39 PolarHBondContact O-N 2.9Å; S35-L39 VanDerWaalsContact O-N 3.09Å; L36-L39 WeakPolarHBondContact O-CB 3.36Å; L36-L39 PolarHBondContact O-N 3.03Å; L36-L39 VanDerWaalsContact O-N 3.07Å; R37-L39 VanDerWaalsContact C-N 3.27Å; R37-L39 PolarHBondContact O-N 2.68Å; L39-I54 HydrophobicContact CB-CD1 4.03Å
40L71.4Confident72.3Confident7 Ų776 Ų764%0.03736%0.36CS..Hα-helixtrans-67.4-44.8-176.8-157.199.8000112.9L36 R37 R42 L46 I54 Y55 D80 V84L36-L40 WeakPolarHBondContact O-CB 3.38Å; L36-L40 PolarHBondContact O-N 3.41Å; R37-L40 PolarHBondContact O-N 2.81Å; L40-R42 VanDerWaalsContact C-N 3.3Å; L40-R42 PolarHBondContact O-N 3.38Å; L40-L46 WeakPolarHBondContact O-CD1 3.45Å; L40-I54 HydrophobicContact CD1-CB 4.45Å; L40-I54 HydrophobicContact CD1-CD1 4.36Å; L40-I54 HydrophobicContact CD1-CG2 3.56Å; L40-Y55 HydrophobicContact CD1-CE1 3.88Å; L40-Y55 HydrophobicContact CD1-CE2 4.47Å; L40-D80 HydrophobicContact CD2-CB 3.98Å; L40-V84 HydrophobicContact CD1-CG2 4.3Å; L40-V84 HydrophobicContact CD2-CB 4.46Å; L40-V84 HydrophobicContact CD2-CG2 3.27Å; L40-V84 HydrophobicContact CG-CG2 3.53Å
41L70.3Confident72.3Confident72 Ų7273.4 Ų73.438%0.37735%0.346SS..THydrogen-bonded Turntrans-85.43.4-177.6-65.5176.9000113.8R37 K43 T83R37-L41 HydrophobicContact CG-CD1 3.79Å; R37-L41 HydrophobicContact CG-CG 4.33Å; R37-L41 WeakPolarHBondContact O-CB 3.47Å; R37-L41 PolarHBondContact O-N 2.9Å; L41-K43 PolarHBondContact O-N 3.02Å; L41-T83 HydrophobicContact CD2-CG2 4.28Å
42R69.8Low72.4Confident113 Ų11368 Ų6843%0.42632%0.321SS..  trans-65.5124.7173.6-93.2164.5-176.9-171.1-2.1108.8H6 S38 L40 K44H6-R42 PolarHBondContact CE1-NH1 2.86Å; S38-R42 WeakPolarHBondContact O-CD 3.39Å; S38-R42 WeakPolarHBondContact O-CG 3.28Å; L40-R42 VanDerWaalsContact C-N 3.3Å; L40-R42 PolarHBondContact O-N 3.38Å; R42-K44 PolarHBondContact O-N 3Å
43K56.1Low72.4Confident221 Ų22169.4 Ų69.496%0.96133%0.331SS*.SBendtrans-62.47.5-179.9-64.5-172.7175.6-175.70115.7L41L41-K43 PolarHBondContact O-N 3.02Å
44K61.8Low72.4Confident172 Ų17269.3 Ų69.375%0.74833%0.33SS*.SBendtrans-90.2143.8174.9-78.4-174.7176.4178.60108.7R42 L46R42-K44 PolarHBondContact O-N 3Å; K44-L46 PolarHBondContact O-N 3.16Å
45K62.2Low72.4Confident172 Ų17265.2 Ų65.275%0.74831%0.309SS*.  trans-54.3104.2172.9-79.4-171.9171.8-171.90110E91K45-E91 WeakPolarHBondContact CE-OE2 3.41Å
46L67.2Low72.4Confident42 Ų4270.1 Ų70.122%0.2232%0.323CS..  trans-68.8136.7167.5-76.6147.3000108.3L40 K44 E50 I51 I54L40-L46 WeakPolarHBondContact O-CD1 3.45Å; K44-L46 PolarHBondContact O-N 3.16Å; L46-E50 WeakPolarHBondContact CA-OE2 3.39Å; L46-E50 HydrophobicContact CD2-CB 3.85Å; L46-I51 HydrophobicContact CB-CD1 4.06Å; L46-I51 HydrophobicContact CB-CG1 3.66Å; L46-I54 HydrophobicContact CD2-CD1 4.03Å
47K72.9Confident72.5Confident145 Ų14570.3 Ų70.363%0.6332%0.324SS*.  trans-76153.5170.9-65.6178.1-178.4174.90109.5D49 E50 I51K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.16Å; K47-E50 HydrophobicContact CB-CG 4.34Å; K47-E50 PolarHBondContact N-OE2 3.32Å; K47-E50 WeakPolarHBondContact O-CB 3.47Å; K47-E50 PolarHBondContact O-N 2.76Å; K47-I51 WeakPolarHBondContact O-CG1 3.2Å; K47-I51 PolarHBondContact O-N 2.8Å; K47-I51 VanDerWaalsContact O-N 3.1Å
48N72.2Confident72.6Confident57 Ų5767.2 Ų67.231%0.30531%0.312SS..Hα-helixtrans-51.1-40.2176.7-81.7-26.4000112.3E50 I51 E52N48-E50 VanDerWaalsContact C-N 3.31Å; N48-E50 PolarHBondContact O-N 3.09Å; N48-I51 PolarHBondContact O-N 3.44Å; N48-E52 WeakPolarHBondContact O-CB 3.36Å; N48-E52 PolarHBondContact O-N 2.94Å
49D73.9Confident72.5Confident106 Ų10665.2 Ų65.257%0.56730%0.298SS*.Hα-helixtrans-63.5-34.3178.5-48-17.2000113.1K47 S53K47-D49 PolarHBondContact O-N 2.87Å; K47-D49 VanDerWaalsContact O-N 3.16Å; D49-S53 VanDerWaalsContact O-CB 3.3Å; D49-S53 WeakPolarHBondContact O-CB 3.36Å; D49-S53 PolarHBondContact O-N 3.08Å; D49-S53 PolarHBondContact O-OG 2.86Å
50E73.9Confident72.7Confident37 Ų3767 Ų6717%0.17331%0.306CS..Hα-helixtrans-73.2-43.7177.3-64.5173.4146.900110.4H6 L46 K47 N48 S53 I54H6-E50 IonicContact CD2-OE1 3.86Å; H6-E50 PolarHBondContact CD2-OE1 2.81Å; H6-E50 IonicContact CG-OE1 2.98Å; L46-E50 WeakPolarHBondContact CA-OE2 3.39Å; L46-E50 HydrophobicContact CD2-CB 3.85Å; K47-E50 HydrophobicContact CB-CG 4.34Å; K47-E50 PolarHBondContact N-OE2 3.32Å; K47-E50 WeakPolarHBondContact O-CB 3.47Å; K47-E50 PolarHBondContact O-N 2.76Å; N48-E50 VanDerWaalsContact C-N 3.31Å; N48-E50 PolarHBondContact O-N 3.09Å; E50-S53 PolarHBondContact O-N 3.02Å; E50-I54 WeakPolarHBondContact O-CB 3.5Å; E50-I54 WeakPolarHBondContact O-CD1 3.29Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.87Å
51I72.6Confident72.9Confident11 Ų1166.7 Ų66.76%0.05631%0.305CS..Hα-helixtrans-61.2-47.2176.5-58.7175.7000110L46 K47 N48 S53 I54 Y55 C105L46-I51 HydrophobicContact CB-CD1 4.06Å; L46-I51 HydrophobicContact CB-CG1 3.66Å; K47-I51 WeakPolarHBondContact O-CG1 3.2Å; K47-I51 PolarHBondContact O-N 2.8Å; K47-I51 VanDerWaalsContact O-N 3.1Å; N48-I51 PolarHBondContact O-N 3.44Å; I51-S53 PolarHBondContact O-N 3.37Å; I51-I54 PolarHBondContact O-N 3.35Å; I51-Y55 HydrophobicContact CG2-CD2 3.58Å; I51-Y55 HydrophobicContact CG2-CE2 3.29Å; I51-Y55 WeakPolarHBondContact O-CD2 3.41Å; I51-Y55 PolarHBondContact O-N 3.22Å; I51-C105 WeakPolarHBondContact CG2-SG 3.31Å
52E77.4Confident73.1Confident19 Ų1963.2 Ų63.29%0.08929%0.287CS..Hα-helixtrans-57.3-48.8175.7-178.2-163.9146.900111.5N48 I54 Y55 R56 E104 C105 A108N48-E52 WeakPolarHBondContact O-CB 3.36Å; N48-E52 PolarHBondContact O-N 2.94Å; E52-I54 VanDerWaalsContact C-N 3.35Å; E52-I54 PolarHBondContact O-N 3.39Å; E52-Y55 PolarHBondContact O-N 2.94Å; E52-R56 WeakPolarHBondContact O-CB 3.4Å; E52-R56 PolarHBondContact O-N 3.17Å; E52-R56 IonicContact OE1-CZ 2.89Å; E52-R56 IonicContact OE1-NH1 2.96Å; E52-R56 PolarHBondContact OE1-NH1 3.47Å; E52-R56 IonicContact OE1-NH2 3.69Å; E52-R56 PolarHBondContact OE1-NH2 3.3Å; E52-E104 HydrophobicContact CG-CB 4.27Å; E52-E104 WeakPolarHBondContact OE2-CB 2.93Å; E52-C105 HydrophobicContact CB-CB 4.19Å; E52-A108 HydrophobicContact CG-CB 4.11Å
53S77.2Confident73.2Confident33 Ų3363.9 Ų63.923%0.23129%0.294CS..Hα-helixtrans-62.5-42.7-179.7-61.50000111.3D49 E50 I51 Y55 R56 T57D49-S53 VanDerWaalsContact O-CB 3.3Å; D49-S53 WeakPolarHBondContact O-CB 3.36Å; D49-S53 PolarHBondContact O-N 3.08Å; D49-S53 PolarHBondContact O-OG 2.86Å; E50-S53 PolarHBondContact O-N 3.02Å; I51-S53 PolarHBondContact O-N 3.37Å; S53-Y55 PolarHBondContact O-N 3.43Å; S53-R56 PolarHBondContact O-N 3.4Å; S53-T57 PolarHBondContact O-N 3.48Å; S53-T57 PolarHBondContact O-OG1 2.87Å
54I76.6Confident73.9Confident0 Ų055.2 Ų55.20%026%0.258CS..Hα-helixtrans-58.5-48.8175.4-70.2163.4000110.8I10 L36 L39 L40 L46 E50 I51 E52 T57 Y58I10-I54 HydrophobicContact CD1-CD1 4.43Å; I10-I54 HydrophobicContact CD1-CG1 3.69Å; I10-I54 HydrophobicContact CG1-CG1 4.23Å; L36-I54 HydrophobicContact CB-CG2 4.38Å; L36-I54 HydrophobicContact CD2-CG2 4.25Å; L39-I54 HydrophobicContact CB-CD1 4.03Å; L40-I54 HydrophobicContact CD1-CB 4.45Å; L40-I54 HydrophobicContact CD1-CD1 4.36Å; L40-I54 HydrophobicContact CD1-CG2 3.56Å; L46-I54 HydrophobicContact CD2-CD1 4.03Å; E50-I54 WeakPolarHBondContact O-CB 3.5Å; E50-I54 WeakPolarHBondContact O-CD1 3.29Å; E50-I54 WeakPolarHBondContact O-CG1 3.27Å; E50-I54 PolarHBondContact O-N 2.87Å; I51-I54 PolarHBondContact O-N 3.35Å; E52-I54 VanDerWaalsContact C-N 3.35Å; E52-I54 PolarHBondContact O-N 3.39Å; I54-T57 PolarHBondContact O-N 3.41Å; I54-Y58 HydrophobicContact CG2-CD2 3.68Å; I54-Y58 HydrophobicContact CG2-CE2 3.68Å; I54-Y58 WeakPolarHBondContact O-CD2 3.48Å; I54-Y58 PolarHBondContact O-N 3.08Å
55Y79.1Confident74.2Confident2 Ų247.2 Ų47.21%0.00822%0.224CC..Hα-helixtrans-72.5-30.8-178-69.4-49.3000113.7L40 I51 E52 S53 T57 Y58 S59 F77 M81 F109L40-Y55 HydrophobicContact CD1-CE1 3.88Å; L40-Y55 HydrophobicContact CD1-CE2 4.47Å; I51-Y55 HydrophobicContact CG2-CD2 3.58Å; I51-Y55 HydrophobicContact CG2-CE2 3.29Å; I51-Y55 WeakPolarHBondContact O-CD2 3.41Å; I51-Y55 PolarHBondContact O-N 3.22Å; E52-Y55 PolarHBondContact O-N 2.94Å; S53-Y55 PolarHBondContact O-N 3.43Å; Y55-T57 VanDerWaalsContact C-N 3.33Å; Y55-Y58 HydrophobicContact CD1-CD2 4.1Å; Y55-Y58 HydrophobicContact CE1-CD2 4.5Å; Y55-Y58 PolarHBondContact O-N 3.13Å; Y55-S59 WeakPolarHBondContact O-CB 3.17Å; Y55-S59 PolarHBondContact O-N 3.06Å; Y55-F77 HydrophobicContact CE1-CE2 4.43Å; Y55-M81 HydrophobicContact CD1-CE 3.38Å; Y55-M81 HydrophobicContact CD1-SD 3.86Å; Y55-M81 HydrophobicContact CE1-CE 3.25Å; Y55-M81 HydrophobicContact CE1-CG 4.32Å; Y55-M81 HydrophobicContact CE1-SD 3.04Å; Y55-M81 WeakPolarHBondContact CE1-SD 3.47Å; Y55-M81 HydrophobicContact CE2-SD 4.3Å; Y55-M81 HydrophobicContact CG-CE 4.22Å; Y55-M81 PolarHBondContact OH-SD 2.77Å; Y55-F109 HydrophobicContact CD2-CB 4.4Å; Y55-F109 HydrophobicContact CD2-CD2 4.01Å; Y55-F109 HydrophobicContact CE1-CD2 4.47Å; Y55-F109 AromaticContact CE2-CD2 3.62Å; Y55-F109 HydrophobicContact CE2-CD2 3.62Å; Y55-F109 HydrophobicContact CE2-CE2 4.24Å; Y55-F109 AromaticContact CZ-CD2 3.87Å
56R79.8Confident74.1Confident131 Ų13141.5 Ų41.549%0.49421%0.209SC..Hα-helixtrans-62.8-42.9169.8-172.4-179.5-77.7112.7-4.1110.6E52 S53 S59 H60E52-R56 WeakPolarHBondContact O-CB 3.4Å; E52-R56 PolarHBondContact O-N 3.17Å; E52-R56 IonicContact OE1-CZ 2.89Å; E52-R56 IonicContact OE1-NH1 2.96Å; E52-R56 PolarHBondContact OE1-NH1 3.47Å; E52-R56 IonicContact OE1-NH2 3.69Å; E52-R56 PolarHBondContact OE1-NH2 3.3Å; S53-R56 PolarHBondContact O-N 3.4Å; R56-S59 PolarHBondContact O-N 3.35Å; R56-H60 PolarHBondContact O-N 3.01Å; R56-H60 VanDerWaalsContact O-N 3.09Å
57T79.1Confident73.6Confident4 Ų446.6 Ų46.63%0.02524%0.236CC..Hα-helixtrans-65.8-38.1174.7-51.20000112I10 L13 L17 L36 S53 I54 Y55 H60 L61I10-T57 VanDerWaalsContact CG2-OG1 3.32Å; I10-T57 WeakPolarHBondContact CG2-OG1 3.21Å; L13-T57 HydrophobicContact CB-CG2 4.23Å; L17-T57 HydrophobicContact CD1-CG2 3.65Å; L36-T57 HydrophobicContact CD1-CG2 3.97Å; L36-T57 HydrophobicContact CD2-CG2 4.11Å; S53-T57 PolarHBondContact O-N 3.48Å; S53-T57 PolarHBondContact O-OG1 2.87Å; I54-T57 PolarHBondContact O-N 3.41Å; Y55-T57 VanDerWaalsContact C-N 3.33Å; T57-H60 PolarHBondContact O-N 3.41Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 PolarHBondContact O-N 2.95Å
58Y77.7Confident72.9Confident0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-63-44.9172.1-89.7-64.3000112.6H33 L36 R37 I54 Y55 H60 L61 F62 F77H33-Y58 AromaticContact ND1-CE1 3.57Å; H33-Y58 PolarHBondContact O-OH 3.46Å; L36-Y58 HydrophobicContact CB-CD2 4.22Å; L36-Y58 HydrophobicContact CB-CE1 4.14Å; L36-Y58 HydrophobicContact CB-CE2 3.47Å; L36-Y58 VanDerWaalsContact CB-CE2 3.47Å; L36-Y58 VanDerWaalsContact CB-CZ 3.42Å; L36-Y58 WeakPolarHBondContact CB-OH 3.47Å; L36-Y58 HydrophobicContact CD1-CD1 3.82Å; L36-Y58 HydrophobicContact CD1-CD2 3.82Å; L36-Y58 HydrophobicContact CD1-CE1 3.84Å; L36-Y58 HydrophobicContact CD1-CE2 3.88Å; L36-Y58 HydrophobicContact CD1-CG 3.81Å; L36-Y58 HydrophobicContact CG-CE2 4.27Å; R37-Y58 PolarHBondContact N-OH 3.46Å; R37-Y58 VanDerWaalsContact N-OH 3.16Å; I54-Y58 HydrophobicContact CG2-CD2 3.68Å; I54-Y58 HydrophobicContact CG2-CE2 3.68Å; I54-Y58 WeakPolarHBondContact O-CD2 3.48Å; I54-Y58 PolarHBondContact O-N 3.08Å; Y55-Y58 HydrophobicContact CD1-CD2 4.1Å; Y55-Y58 HydrophobicContact CE1-CD2 4.5Å; Y55-Y58 PolarHBondContact O-N 3.13Å; Y58-H60 VanDerWaalsContact C-N 3.26Å; Y58-H60 PolarHBondContact O-N 3.41Å; Y58-L61 HydrophobicContact CD1-CD2 4.21Å; Y58-L61 HydrophobicContact CE1-CD2 4.44Å; Y58-L61 WeakPolarHBondContact O-CB 3.34Å; Y58-L61 PolarHBondContact O-N 2.79Å; Y58-F62 AromaticContact CD1-CE2 4Å; Y58-F62 HydrophobicContact CD1-CE2 4Å; Y58-F62 AromaticContact CD1-CZ 3.97Å; Y58-F62 HydrophobicContact CD1-CZ 3.97Å; Y58-F62 HydrophobicContact CG-CE2 4.41Å; Y58-F62 WeakPolarHBondContact O-CD2 3.37Å; Y58-F62 WeakPolarHBondContact O-CG 3.27Å; Y58-F62 PolarHBondContact O-N 3.38Å; Y58-F77 AromaticContact CD1-CD2 3.74Å; Y58-F77 HydrophobicContact CD1-CD2 3.74Å; Y58-F77 AromaticContact CD1-CE2 3.49Å; Y58-F77 HydrophobicContact CD1-CE2 3.49Å; Y58-F77 VanDerWaalsContact CD1-CE2 3.49Å; Y58-F77 HydrophobicContact CD1-CZ 4.35Å; Y58-F77 HydrophobicContact CD2-CD2 4.29Å; Y58-F77 AromaticContact CD2-CE2 3.54Å; Y58-F77 HydrophobicContact CD2-CE2 3.54Å; Y58-F77 HydrophobicContact CD2-CZ 4.46Å; Y58-F77 AromaticContact CE1-CD2 3.59Å; Y58-F77 HydrophobicContact CE1-CD2 3.59Å; Y58-F77 AromaticContact CE1-CE2 3.76Å; Y58-F77 HydrophobicContact CE1-CE2 3.76Å; Y58-F77 HydrophobicContact CE2-CD2 4.1Å; Y58-F77 AromaticContact CE2-CE2 3.76Å; Y58-F77 HydrophobicContact CE2-CE2 3.76Å; Y58-F77 HydrophobicContact CG-CD2 4.1Å; Y58-F77 AromaticContact CG-CE2 3.38Å; Y58-F77 HydrophobicContact CG-CE2 3.38Å; Y58-F77 HydrophobicContact CG-CZ 4.1Å; Y58-F77 AromaticContact CZ-CD2 3.76Å; Y58-F77 AromaticContact CZ-CE2 3.87Å
59S76.5Confident72Confident19 Ų1943 Ų4313%0.13325%0.246CC..Hα-helixtrans-55.9-44.6177-171.30000111.2Y55 R56 F62 E63Y55-S59 WeakPolarHBondContact O-CB 3.17Å; Y55-S59 PolarHBondContact O-N 3.06Å; R56-S59 PolarHBondContact O-N 3.35Å; S59-F62 PolarHBondContact O-N 3.35Å; S59-E63 WeakPolarHBondContact O-CB 3.23Å; S59-E63 PolarHBondContact O-N 3Å
60H78.2Confident71.3Confident43 Ų4341.8 Ų41.820%0.19923%0.234CC..Hα-helixtrans-70.1-39.1178-17351.5000112.7L17 D18 R56 T57 Y58 F62 E63 I64L17-H60 WeakPolarHBondContact CB-CD2 3.32Å; D18-H60 IonicContact OD1-CE1 3.11Å; D18-H60 IonicContact OD1-NE2 3.83Å; D18-H60 PolarHBondContact OD1-NE2 3.22Å; R56-H60 PolarHBondContact O-N 3.01Å; R56-H60 VanDerWaalsContact O-N 3.09Å; T57-H60 PolarHBondContact O-N 3.41Å; Y58-H60 VanDerWaalsContact C-N 3.26Å; Y58-H60 PolarHBondContact O-N 3.41Å; H60-F62 VanDerWaalsContact C-N 3.3Å; H60-F62 PolarHBondContact O-N 3.3Å; H60-E63 PolarHBondContact O-N 3.23Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.25Å; H60-I64 VanDerWaalsContact NE2-CD1 3.26Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.37Å; H60-I64 PolarHBondContact O-N 2.81Å
61L75.8Confident70.6Confident1 Ų143.1 Ų43.11%0.00525%0.247CC..Hα-helixtrans-57.8-45.3173.4176.167.9000111.1L17 F29 V32 H33 T57 Y58 S65L17-L61 HydrophobicContact CD1-CB 4.04Å; L17-L61 HydrophobicContact CD2-CB 4.44Å; L17-L61 HydrophobicContact CD2-CD1 3.62Å; F29-L61 HydrophobicContact CB-CD1 4.48Å; F29-L61 HydrophobicContact CD2-CD1 3.68Å; F29-L61 HydrophobicContact CD2-CD2 4.06Å; F29-L61 HydrophobicContact CD2-CG 3.77Å; F29-L61 HydrophobicContact CE2-CD1 4.26Å; F29-L61 HydrophobicContact CE2-CD2 3.95Å; F29-L61 HydrophobicContact CE2-CG 3.81Å; F29-L61 HydrophobicContact CG-CD1 4.32Å; F29-L61 HydrophobicContact CZ-CD2 4.42Å; V32-L61 HydrophobicContact CB-CD1 4.16Å; V32-L61 HydrophobicContact CB-CD2 4.35Å; V32-L61 HydrophobicContact CG1-CD1 4.16Å; V32-L61 HydrophobicContact CG1-CD2 4.03Å; H33-L61 HydrophobicContact CB-CD2 4.31Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 PolarHBondContact O-N 2.95Å; Y58-L61 HydrophobicContact CD1-CD2 4.21Å; Y58-L61 HydrophobicContact CE1-CD2 4.44Å; Y58-L61 WeakPolarHBondContact O-CB 3.34Å; Y58-L61 PolarHBondContact O-N 2.79Å; L61-S65 VanDerWaalsContact O-CB 3.27Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 3.22Å; L61-S65 PolarHBondContact O-OG 2.95Å
62F74.5Confident70.3Confident0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-65.2-49.1178.2-66.1-49.7000111.4F29 Y58 S59 H60 I64 S65 A66 F77 L116 E119F29-F62 HydrophobicContact CE2-CD1 4.11Å; F29-F62 HydrophobicContact CE2-CE1 4.16Å; F29-F62 HydrophobicContact CZ-CD1 4.33Å; F29-F62 AromaticContact CZ-CE1 3.95Å; F29-F62 HydrophobicContact CZ-CE1 3.95Å; Y58-F62 AromaticContact CD1-CE2 4Å; Y58-F62 HydrophobicContact CD1-CE2 4Å; Y58-F62 AromaticContact CD1-CZ 3.97Å; Y58-F62 HydrophobicContact CD1-CZ 3.97Å; Y58-F62 HydrophobicContact CG-CE2 4.41Å; Y58-F62 WeakPolarHBondContact O-CD2 3.37Å; Y58-F62 WeakPolarHBondContact O-CG 3.27Å; Y58-F62 PolarHBondContact O-N 3.38Å; S59-F62 PolarHBondContact O-N 3.35Å; H60-F62 VanDerWaalsContact C-N 3.3Å; H60-F62 PolarHBondContact O-N 3.3Å; F62-I64 PolarHBondContact O-N 2.87Å; F62-I64 VanDerWaalsContact O-N 3.14Å; F62-S65 VanDerWaalsContact CA-OG 3.31Å; F62-S65 WeakPolarHBondContact CA-OG 3.37Å; F62-S65 CarbonylContact O-C 3.39Å; F62-S65 VanDerWaalsContact O-CA 3.28Å; F62-S65 WeakPolarHBondContact O-CA 3.17Å; F62-S65 PolarHBondContact O-N 3.14Å; F62-S65 PolarHBondContact O-OG 3.44Å; F62-A66 PolarHBondContact O-N 2.89Å; F62-A66 VanDerWaalsContact O-N 3.1Å; F62-F77 AromaticContact CE2-CD1 3.86Å; F62-F77 HydrophobicContact CE2-CD1 3.86Å; F62-F77 HydrophobicContact CE2-CD2 4.24Å; F62-F77 AromaticContact CE2-CE1 3.51Å; F62-F77 HydrophobicContact CE2-CE1 3.51Å; F62-F77 AromaticContact CE2-CE2 3.94Å; F62-F77 HydrophobicContact CE2-CE2 3.94Å; F62-F77 HydrophobicContact CE2-CG 4.18Å; F62-F77 AromaticContact CE2-CZ 3.51Å; F62-F77 HydrophobicContact CE2-CZ 3.51Å; F62-F77 HydrophobicContact CZ-CB 4.3Å; F62-F77 AromaticContact CZ-CD1 3.7Å; F62-F77 HydrophobicContact CZ-CD1 3.7Å; F62-F77 AromaticContact CZ-CD2 3.95Å; F62-F77 HydrophobicContact CZ-CD2 3.95Å; F62-F77 AromaticContact CZ-CE1 3.87Å; F62-F77 HydrophobicContact CZ-CE1 3.87Å; F62-F77 HydrophobicContact CZ-CE2 4.12Å; F62-F77 AromaticContact CZ-CG 3.7Å; F62-F77 HydrophobicContact CZ-CG 3.7Å; F62-F77 HydrophobicContact CZ-CZ 4.04Å; F62-L116 HydrophobicContact CD1-CD1 4.08Å; F62-L116 HydrophobicContact CD2-CB 4.35Å; F62-L116 HydrophobicContact CD2-CD1 4.42Å; F62-L116 HydrophobicContact CE1-CD1 3.67Å; F62-L116 HydrophobicContact CE2-CB 4.43Å; F62-L116 HydrophobicContact CE2-CD1 4.05Å; F62-L116 HydrophobicContact CG-CD1 4.47Å; F62-L116 HydrophobicContact CZ-CD1 3.67Å; F62-E119 VanDerWaalsContact C-OE1 3.3Å
63E72.4Confident69.8Low126 Ų12649.3 Ų49.359%0.58928%0.275SS*.Hα-helixtrans-53.3-39.7178.1-173.4175.8-160.200113S59 H60S59-E63 WeakPolarHBondContact O-CB 3.23Å; S59-E63 PolarHBondContact O-N 3Å; H60-E63 PolarHBondContact O-N 3.23Å
64I72Confident69.5Low40 Ų4048.2 Ų48.221%0.20527%0.267CS..Hα-helixtrans-75.1-28.8175.3-66.1165.3000111.7L17 V25 H60 F62L17-I64 HydrophobicContact CB-CD1 3.8Å; L17-I64 HydrophobicContact CD2-CD1 4.26Å; L17-I64 WeakPolarHBondContact O-CD1 3.16Å; V25-I64 HydrophobicContact CB-CG2 4.06Å; V25-I64 HydrophobicContact CG1-CG2 3.71Å; V25-I64 HydrophobicContact CG2-CG2 3.16Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.25Å; H60-I64 VanDerWaalsContact NE2-CD1 3.26Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.37Å; H60-I64 PolarHBondContact O-N 2.81Å; F62-I64 PolarHBondContact O-N 2.87Å; F62-I64 VanDerWaalsContact O-N 3.14Å
65S67.1Low69.2Low3 Ų350.4 Ų50.42%0.02128%0.28CS..Hα-helixtrans-84.32.4-179.980.40000115.6F29 L61 F62 N67 V68 E119F29-S65 WeakPolarHBondContact CE2-OG 3.35Å; L61-S65 VanDerWaalsContact O-CB 3.27Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 3.22Å; L61-S65 PolarHBondContact O-OG 2.95Å; F62-S65 VanDerWaalsContact CA-OG 3.31Å; F62-S65 WeakPolarHBondContact CA-OG 3.37Å; F62-S65 CarbonylContact O-C 3.39Å; F62-S65 VanDerWaalsContact O-CA 3.28Å; F62-S65 WeakPolarHBondContact O-CA 3.17Å; F62-S65 PolarHBondContact O-N 3.14Å; F62-S65 PolarHBondContact O-OG 3.44Å; S65-N67 PolarHBondContact O-N 2.97Å; S65-V68 WeakPolarHBondContact O-CB 3.36Å; S65-V68 PolarHBondContact O-N 3.43Å; S65-E119 PolarHBondContact OG-OE2 2.94Å
66A60.3Low69.1Low53 Ų5352.8 Ų52.844%0.43829%0.292SS..THydrogen-bonded Turntrans-48.1-23.5-176.100000115.9F62 E119F62-A66 PolarHBondContact O-N 2.89Å; F62-A66 VanDerWaalsContact O-N 3.1Å; A66-E119 VanDerWaalsContact CA-CD 3.41Å; A66-E119 WeakPolarHBondContact CA-OE1 3.47Å; A66-E119 HydrophobicContact CB-CG 4.35Å; A66-E119 WeakPolarHBondContact CB-OE1 3.5Å
67N57.1Low68.9Low148 Ų14846.6 Ų46.679%0.79127%0.269SS*.THydrogen-bonded Turntrans-96.80.4178-68.2-33.5000115S65S65-N67 PolarHBondContact O-N 2.97Å
68V58.3Low68.9Low38 Ų3846.5 Ų46.523%0.2327%0.268CS..  trans-11282.7-170.6-169.80000109.4V25 S65 R70V25-V68 HydrophobicContact CG1-CG2 4.3Å; S65-V68 WeakPolarHBondContact O-CB 3.36Å; S65-V68 PolarHBondContact O-N 3.43Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 HydrophobicContact CG1-CG 4.19Å; V68-R70 PolarHBondContact O-N 3.08Å
69G53.5Low69Low88 Ų8849.8 Ų49.891%0.90729%0.285SS*.  trans-63.772.5-175.600000116.2
70R59.1Low69.1Low82 Ų8249 Ų4931%0.30928%0.28SS..  trans-103.595.2178.2-76.9-174.3179.4176.51.7112.4Y26 D30 V68 K72 C74Y26-R70 PolarHBondContact O-NH2 3.16Å; D30-R70 IonicContact OD1-CZ 2.85Å; D30-R70 IonicContact OD1-NH1 2.65Å; D30-R70 PolarHBondContact OD1-NH1 3.22Å; D30-R70 IonicContact OD2-CZ 2.65Å; D30-R70 IonicContact OD2-NH1 3.7Å; D30-R70 PolarHBondContact OD2-NH1 3Å; D30-R70 IonicContact OD2-NH2 3.54Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 HydrophobicContact CG1-CG 4.19Å; V68-R70 PolarHBondContact O-N 3.08Å; R70-K72 PolarHBondContact O-N 3.38Å; R70-C74 PolarHBondContact O-SG 3.17Å
71S59.3Low69.1Low64 Ų6447 Ų4745%0.44827%0.271SS..Hα-helixtrans-62.1-42.3177.757.70000114.1C74 V75 S122S71-C74 WeakPolarHBondContact O-CB 3.34Å; S71-C74 PolarHBondContact O-N 3.11Å; S71-V75 PolarHBondContact O-N 2.64Å; S71-V75 VanDerWaalsContact O-N 3.17Å; S71-S122 WeakPolarHBondContact CB-OG 3.26Å
72K66Low69.4Low149 Ų14947.8 Ų47.865%0.64828%0.276SS*.Hα-helixtrans-65.9-47.4-171.2-171.2176.1178.2-178.40113.4R70 C74 V75 E76R70-K72 PolarHBondContact O-N 3.38Å; K72-C74 PolarHBondContact O-N 3.21Å; K72-V75 PolarHBondContact O-N 3.18Å; K72-E76 VanDerWaalsContact CE-OE1 3.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3Å; K72-E76 PolarHBondContact O-N 2.99Å
73A66.7Low69.6Low12 Ų1250 Ų5010%0.09929%0.289CS..Hα-helixtrans-64.3-28.2179.500000112.4F29 F77F29-A73 HydrophobicContact CE1-CB 3.66Å; F29-A73 HydrophobicContact CZ-CB 4.36Å; A73-F77 WeakPolarHBondContact O-CB 3.08Å; A73-F77 PolarHBondContact O-N 2.95Å
74C70.6Confident69.8Low9 Ų944.5 Ų44.56%0.06126%0.264CS..Hα-helixtrans-70.6-40.5175.2-63.10000112.2R70 S71 K72 F77 L78 L116 V120R70-C74 PolarHBondContact O-SG 3.17Å; S71-C74 WeakPolarHBondContact O-CB 3.34Å; S71-C74 PolarHBondContact O-N 3.11Å; K72-C74 PolarHBondContact O-N 3.21Å; C74-F77 PolarHBondContact O-N 3.09Å; C74-L78 WeakPolarHBondContact O-CG 3.43Å; C74-L78 PolarHBondContact O-N 3Å; C74-L116 HydrophobicContact CB-CD1 3.82Å; C74-V120 HydrophobicContact CB-CG1 4.14Å; C74-V120 HydrophobicContact CB-CG2 3.67Å; C74-V120 WeakPolarHBondContact SG-CG2 3.28Å
75V71Confident70Confident46 Ų4642.6 Ų42.628%0.27926%0.255SS..Hα-helixtrans-64.3-45.1173.7173.90000110.8S71 K72 F77 L78 D79 C128S71-V75 PolarHBondContact O-N 2.64Å; S71-V75 VanDerWaalsContact O-N 3.17Å; K72-V75 PolarHBondContact O-N 3.18Å; V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 PolarHBondContact O-N 3.15Å; V75-L78 PolarHBondContact O-N 3.37Å; V75-D79 PolarHBondContact O-N 3.29Å; V75-C128 VanDerWaalsContact CG1-SG 3.54Å
76E75.9Confident70.5Confident53 Ų5349.3 Ų49.325%0.24828%0.28CS..Hα-helixtrans-59.4-42.4175.6-69.9-175.9-153.400111.3R37 K72 D79 D80R37-E76 IonicContact CZ-OE2 2.71Å; R37-E76 IonicContact NH1-OE2 2.68Å; R37-E76 PolarHBondContact NH1-OE2 3.34Å; K72-E76 VanDerWaalsContact CE-OE1 3.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3Å; K72-E76 PolarHBondContact O-N 2.99Å; E76-D79 PolarHBondContact O-N 3.46Å; E76-D80 WeakPolarHBondContact O-CB 3.41Å; E76-D80 PolarHBondContact O-N 3.4Å
77F77Confident71.1Confident1 Ų150.8 Ų50.80%0.00428%0.28CS..Hα-helixtrans-62.3-42.5175.2175.6-102.5000113.3Y55 Y58 F62 A73 C74 V75 D79 D80 M81 A112 L116Y55-F77 HydrophobicContact CE1-CE2 4.43Å; Y58-F77 AromaticContact CD1-CD2 3.74Å; Y58-F77 HydrophobicContact CD1-CD2 3.74Å; Y58-F77 AromaticContact CD1-CE2 3.49Å; Y58-F77 HydrophobicContact CD1-CE2 3.49Å; Y58-F77 VanDerWaalsContact CD1-CE2 3.49Å; Y58-F77 HydrophobicContact CD1-CZ 4.35Å; Y58-F77 HydrophobicContact CD2-CD2 4.29Å; Y58-F77 AromaticContact CD2-CE2 3.54Å; Y58-F77 HydrophobicContact CD2-CE2 3.54Å; Y58-F77 HydrophobicContact CD2-CZ 4.46Å; Y58-F77 AromaticContact CE1-CD2 3.59Å; Y58-F77 HydrophobicContact CE1-CD2 3.59Å; Y58-F77 AromaticContact CE1-CE2 3.76Å; Y58-F77 HydrophobicContact CE1-CE2 3.76Å; Y58-F77 HydrophobicContact CE2-CD2 4.1Å; Y58-F77 AromaticContact CE2-CE2 3.76Å; Y58-F77 HydrophobicContact CE2-CE2 3.76Å; Y58-F77 HydrophobicContact CG-CD2 4.1Å; Y58-F77 AromaticContact CG-CE2 3.38Å; Y58-F77 HydrophobicContact CG-CE2 3.38Å; Y58-F77 HydrophobicContact CG-CZ 4.1Å; Y58-F77 AromaticContact CZ-CD2 3.76Å; Y58-F77 AromaticContact CZ-CE2 3.87Å; F62-F77 AromaticContact CE2-CD1 3.86Å; F62-F77 HydrophobicContact CE2-CD1 3.86Å; F62-F77 HydrophobicContact CE2-CD2 4.24Å; F62-F77 AromaticContact CE2-CE1 3.51Å; F62-F77 HydrophobicContact CE2-CE1 3.51Å; F62-F77 AromaticContact CE2-CE2 3.94Å; F62-F77 HydrophobicContact CE2-CE2 3.94Å; F62-F77 HydrophobicContact CE2-CG 4.18Å; F62-F77 AromaticContact CE2-CZ 3.51Å; F62-F77 HydrophobicContact CE2-CZ 3.51Å; F62-F77 HydrophobicContact CZ-CB 4.3Å; F62-F77 AromaticContact CZ-CD1 3.7Å; F62-F77 HydrophobicContact CZ-CD1 3.7Å; F62-F77 AromaticContact CZ-CD2 3.95Å; F62-F77 HydrophobicContact CZ-CD2 3.95Å; F62-F77 AromaticContact CZ-CE1 3.87Å; F62-F77 HydrophobicContact CZ-CE1 3.87Å; F62-F77 HydrophobicContact CZ-CE2 4.12Å; F62-F77 AromaticContact CZ-CG 3.7Å; F62-F77 HydrophobicContact CZ-CG 3.7Å; F62-F77 HydrophobicContact CZ-CZ 4.04Å; A73-F77 WeakPolarHBondContact O-CB 3.08Å; A73-F77 PolarHBondContact O-N 2.95Å; C74-F77 PolarHBondContact O-N 3.09Å; V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 PolarHBondContact O-N 3.15Å; F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 2.9Å; F77-D80 PolarHBondContact O-N 3.48Å; F77-M81 HydrophobicContact CD1-CG 4.16Å; F77-M81 HydrophobicContact CD2-CG 4.42Å; F77-M81 HydrophobicContact CE1-CE 3.73Å; F77-M81 HydrophobicContact CE1-CG 3.83Å; F77-M81 HydrophobicContact CE2-CE 4.01Å; F77-M81 HydrophobicContact CE2-CG 4.09Å; F77-M81 HydrophobicContact CE2-SD 4.49Å; F77-M81 HydrophobicContact CG-CG 4.47Å; F77-M81 HydrophobicContact CZ-CE 3.22Å; F77-M81 HydrophobicContact CZ-CG 3.83Å; F77-M81 HydrophobicContact CZ-SD 4.14Å; F77-M81 VanDerWaalsContact O-CB 3.3Å; F77-M81 WeakPolarHBondContact O-CB 3.14Å; F77-M81 WeakPolarHBondContact O-CG 3.4Å; F77-M81 PolarHBondContact O-N 2.86Å; F77-A112 HydrophobicContact CZ-CB 4.23Å; F77-L116 HydrophobicContact CD1-CD1 4.1Å; F77-L116 HydrophobicContact CD1-CD2 3.7Å; F77-L116 HydrophobicContact CD1-CG 4.44Å; F77-L116 HydrophobicContact CE1-CD2 3.97Å
78L78.2Confident71.7Confident2 Ų245.1 Ų45.11%0.0125%0.25CC..Hα-helixtrans-63.4-39.2176-72.6170.8000112C74 V75 M81 S82 L113 L116 F117 V123 I131 I135C74-L78 WeakPolarHBondContact O-CG 3.43Å; C74-L78 PolarHBondContact O-N 3Å; V75-L78 PolarHBondContact O-N 3.37Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 3.3Å; L78-S82 WeakPolarHBondContact O-CB 3.37Å; L78-S82 PolarHBondContact O-N 3.35Å; L78-L113 HydrophobicContact CD2-CD2 3.88Å; L78-L116 HydrophobicContact CD1-CD2 4.3Å; L78-L116 HydrophobicContact CD2-CD2 3.51Å; L78-L116 HydrophobicContact CG-CD2 3.74Å; L78-F117 HydrophobicContact CD2-CE1 4.15Å; L78-F117 HydrophobicContact CD2-CZ 4.19Å; L78-V123 HydrophobicContact CD1-CG1 4.04Å; L78-V123 HydrophobicContact CD1-CG2 4.32Å; L78-I131 HydrophobicContact CB-CG2 3.89Å; L78-I131 VanDerWaalsContact O-CG2 3.24Å; L78-I131 WeakPolarHBondContact O-CG2 3.46Å; L78-I135 HydrophobicContact CB-CD1 4.32Å; L78-I135 HydrophobicContact CD2-CD1 3.58Å
79D80Confident72.2Confident69 Ų6945 Ų4537%0.36925%0.25SC..Hα-helixtrans-66-46.1175.8-171.748.2000111.6V75 E76 F77 M81 S82 T83 I131V75-D79 PolarHBondContact O-N 3.29Å; E76-D79 PolarHBondContact O-N 3.46Å; F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 2.9Å; D79-M81 VanDerWaalsContact C-N 3.29Å; D79-M81 PolarHBondContact O-N 3.37Å; D79-S82 PolarHBondContact O-N 3.39Å; D79-T83 WeakPolarHBondContact O-CB 3.49Å; D79-T83 PolarHBondContact O-N 3.39Å; D79-T83 PolarHBondContact O-OG1 3.24Å; D79-I131 HydrophobicContact CB-CD1 3.89Å; D79-I131 WeakPolarHBondContact OD1-CD1 3.47Å
80D78Confident73.1Confident3 Ų344.1 Ų44.12%0.01623%0.226CC..Hα-helixtrans-60-41.5175.6-66.5-30000110.8R37 L40 E76 F77 T83 V84R37-D80 WeakPolarHBondContact CD-OD2 3.28Å; R37-D80 WeakPolarHBondContact CG-OD2 3.36Å; R37-D80 IonicContact CZ-OD1 3.83Å; R37-D80 IonicContact CZ-OD2 3.69Å; R37-D80 IonicContact NE-OD1 2.83Å; R37-D80 PolarHBondContact NE-OD1 3Å; R37-D80 IonicContact NE-OD2 3.38Å; R37-D80 PolarHBondContact NE-OD2 2.68Å; R37-D80 IonicContact NH2-OD1 3.44Å; R37-D80 PolarHBondContact NH2-OD1 2.79Å; L40-D80 HydrophobicContact CD2-CB 3.98Å; E76-D80 WeakPolarHBondContact O-CB 3.41Å; E76-D80 PolarHBondContact O-N 3.4Å; F77-D80 PolarHBondContact O-N 3.48Å; D80-T83 PolarHBondContact O-N 2.88Å; D80-V84 WeakPolarHBondContact O-CG2 3.49Å; D80-V84 PolarHBondContact O-N 3.17Å
81M77.9Confident73.4Confident1 Ų145.6 Ų45.61%0.00524%0.237CC..Hα-helixtrans-59.1-52.9174.3-80.1-73.4-144.500112.2Y55 F77 L78 D79 T83 V84 L85 F109 A112 L113Y55-M81 HydrophobicContact CD1-CE 3.38Å; Y55-M81 HydrophobicContact CD1-SD 3.86Å; Y55-M81 HydrophobicContact CE1-CE 3.25Å; Y55-M81 HydrophobicContact CE1-CG 4.32Å; Y55-M81 HydrophobicContact CE1-SD 3.04Å; Y55-M81 WeakPolarHBondContact CE1-SD 3.47Å; Y55-M81 HydrophobicContact CE2-SD 4.3Å; Y55-M81 HydrophobicContact CG-CE 4.22Å; Y55-M81 PolarHBondContact OH-SD 2.77Å; F77-M81 HydrophobicContact CD1-CG 4.16Å; F77-M81 HydrophobicContact CD2-CG 4.42Å; F77-M81 HydrophobicContact CE1-CE 3.73Å; F77-M81 HydrophobicContact CE1-CG 3.83Å; F77-M81 HydrophobicContact CE2-CE 4.01Å; F77-M81 HydrophobicContact CE2-CG 4.09Å; F77-M81 HydrophobicContact CE2-SD 4.49Å; F77-M81 HydrophobicContact CG-CG 4.47Å; F77-M81 HydrophobicContact CZ-CE 3.22Å; F77-M81 HydrophobicContact CZ-CG 3.83Å; F77-M81 HydrophobicContact CZ-SD 4.14Å; F77-M81 VanDerWaalsContact O-CB 3.3Å; F77-M81 WeakPolarHBondContact O-CB 3.14Å; F77-M81 WeakPolarHBondContact O-CG 3.4Å; F77-M81 PolarHBondContact O-N 2.86Å; L78-M81 WeakPolarHBondContact O-CB 3.47Å; L78-M81 PolarHBondContact O-N 3.3Å; D79-M81 VanDerWaalsContact C-N 3.29Å; D79-M81 PolarHBondContact O-N 3.37Å; M81-T83 VanDerWaalsContact C-N 3.27Å; M81-T83 PolarHBondContact O-N 3.5Å; M81-V84 PolarHBondContact O-N 2.8Å; M81-L85 WeakPolarHBondContact O-CG 3.36Å; M81-L85 PolarHBondContact O-N 3.37Å; M81-F109 HydrophobicContact CB-CZ 4.43Å; M81-F109 HydrophobicContact CE-CD2 3.79Å; M81-F109 HydrophobicContact CE-CE2 3.78Å; M81-F109 HydrophobicContact CE-CG 4.25Å; M81-F109 HydrophobicContact CE-CZ 4.18Å; M81-F109 HydrophobicContact CG-CE2 4.47Å; M81-F109 HydrophobicContact SD-CD2 3.62Å; M81-F109 HydrophobicContact SD-CE2 3.08Å; M81-F109 WeakPolarHBondContact SD-CE2 3.41Å; M81-F109 HydrophobicContact SD-CZ 3.63Å; M81-A112 HydrophobicContact CE-CB 4.23Å; M81-L113 HydrophobicContact CE-CD2 4.42Å; M81-L113 HydrophobicContact CE-CG 4.31Å
82S81.8Confident73.7Confident16 Ų1645.8 Ų45.811%0.11223%0.233CC..Hα-helixtrans-60.2-39.6177.5175.70000111.6L78 D79 L85 Y86 H134L78-S82 WeakPolarHBondContact O-CB 3.37Å; L78-S82 PolarHBondContact O-N 3.35Å; D79-S82 PolarHBondContact O-N 3.39Å; S82-L85 PolarHBondContact O-N 2.93Å; S82-Y86 WeakPolarHBondContact O-CB 3.49Å; S82-Y86 PolarHBondContact O-N 2.91Å; S82-H134 PolarHBondContact O-CE1 3.42Å; S82-H134 PolarHBondContact OG-ND1 3.21Å
83T80.7Confident73.6Confident47 Ų4743.8 Ų43.829%0.28824%0.235SC..Hα-helixtrans-62.6-44.1176.7-610000111.4L41 D79 D80 M81 Y86 L87L41-T83 HydrophobicContact CD2-CG2 4.28Å; D79-T83 WeakPolarHBondContact O-CB 3.49Å; D79-T83 PolarHBondContact O-N 3.39Å; D79-T83 PolarHBondContact O-OG1 3.24Å; D80-T83 PolarHBondContact O-N 2.88Å; M81-T83 VanDerWaalsContact C-N 3.27Å; M81-T83 PolarHBondContact O-N 3.5Å; T83-Y86 PolarHBondContact O-N 3.4Å; T83-L87 HydrophobicContact CG2-CD1 4.01Å; T83-L87 HydrophobicContact CG2-CG 4.4Å; T83-L87 WeakPolarHBondContact O-CB 3.41Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.47Å; T83-L87 PolarHBondContact O-N 3.47Å
84V75.8Confident73.5Confident10 Ų1051 Ų516%0.06127%0.272CS..Hα-helixtrans-62.8-46.4175.6168.40000111.7L40 D80 M81 Y86 L87 I88L40-V84 HydrophobicContact CD1-CG2 4.3Å; L40-V84 HydrophobicContact CD2-CB 4.46Å; L40-V84 HydrophobicContact CD2-CG2 3.27Å; L40-V84 HydrophobicContact CG-CG2 3.53Å; D80-V84 WeakPolarHBondContact O-CG2 3.49Å; D80-V84 PolarHBondContact O-N 3.17Å; M81-V84 PolarHBondContact O-N 2.8Å; V84-Y86 VanDerWaalsContact C-N 3.25Å; V84-Y86 PolarHBondContact O-N 2.92Å; V84-L87 PolarHBondContact O-N 2.77Å; V84-I88 HydrophobicContact CG1-CD1 3.6Å; V84-I88 HydrophobicContact CG1-CG1 4.31Å; V84-I88 VanDerWaalsContact O-CG1 3.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.49Å
85L76.5Confident73.3Confident0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-59.4-39.6176.5-65.7-178.1000111.6M81 S82 I88 T89 L97 L101 F109 F138M81-L85 WeakPolarHBondContact O-CG 3.36Å; M81-L85 PolarHBondContact O-N 3.37Å; S82-L85 PolarHBondContact O-N 2.93Å; L85-I88 PolarHBondContact O-N 2.84Å; L85-T89 PolarHBondContact O-N 2.69Å; L85-T89 VanDerWaalsContact O-N 3.11Å; L85-T89 PolarHBondContact O-OG1 2.89Å; L85-L97 HydrophobicContact CB-CD1 4.19Å; L85-L97 HydrophobicContact CB-CD2 4.01Å; L85-L97 HydrophobicContact CD1-CD2 4.22Å; L85-L97 HydrophobicContact CD2-CD1 4.11Å; L85-L97 HydrophobicContact CD2-CD2 4.01Å; L85-L97 HydrophobicContact CD2-CG 4.36Å; L85-L97 HydrophobicContact CG-CD2 4.29Å; L85-L97 VanDerWaalsContact O-CD1 3.31Å; L85-L97 WeakPolarHBondContact O-CD1 3.09Å; L85-L101 HydrophobicContact CD2-CD1 4.43Å; L85-F109 HydrophobicContact CD1-CE1 4.27Å; L85-F109 HydrophobicContact CD1-CE2 4.29Å; L85-F109 HydrophobicContact CD1-CZ 3.6Å; L85-F109 HydrophobicContact CD2-CE2 3.79Å; L85-F109 HydrophobicContact CD2-CZ 3.88Å; L85-F109 HydrophobicContact CG-CE2 4.05Å; L85-F109 HydrophobicContact CG-CZ 3.87Å; L85-F138 HydrophobicContact CD1-CB 4.05Å; L85-F138 HydrophobicContact CD1-CD1 3.59Å; L85-F138 HydrophobicContact CD1-CE1 4.23Å; L85-F138 HydrophobicContact CD1-CG 3.94Å; L85-F138 HydrophobicContact CD2-CD1 4Å; L85-F138 HydrophobicContact CD2-CE1 3.78Å; L85-F138 HydrophobicContact CD2-CZ 4.11Å; L85-F138 HydrophobicContact CG-CD1 4.46Å
86Y76.5Confident73.3Confident144 Ų14456.3 Ų56.357%0.56530%0.297SS*.Hα-helixtrans-67-40.9176.3-177.4-97.6000112.7S82 T83 V84 T89 T90S82-Y86 WeakPolarHBondContact O-CB 3.49Å; S82-Y86 PolarHBondContact O-N 2.91Å; T83-Y86 PolarHBondContact O-N 3.4Å; V84-Y86 VanDerWaalsContact C-N 3.25Å; V84-Y86 PolarHBondContact O-N 2.92Å; Y86-T89 VanDerWaalsContact CA-OG1 3.31Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.4Å; Y86-T89 PolarHBondContact O-N 3.28Å; Y86-T89 PolarHBondContact O-OG1 3.2Å; Y86-T90 HydrophobicContact CD1-CG2 4.1Å; Y86-T90 HydrophobicContact CD2-CG2 4.44Å; Y86-T90 HydrophobicContact CE1-CG2 3.57Å; Y86-T90 HydrophobicContact CE2-CG2 3.95Å; Y86-T90 VanDerWaalsContact CZ-CG2 3.48Å; Y86-T90 WeakPolarHBondContact O-CB 3.41Å; Y86-T90 WeakPolarHBondContact O-CG2 3.31Å; Y86-T90 PolarHBondContact O-N 3.18Å; Y86-T90 PolarHBondContact O-OG1 3.27Å
87L73.6Confident72.9Confident84 Ų8454.4 Ų54.444%0.4429%0.288SS..Hα-helixtrans-64.3-42.1175.9-73.2169.9000111.4T83 V84 T89 T90 E91T83-L87 HydrophobicContact CG2-CD1 4.01Å; T83-L87 HydrophobicContact CG2-CG 4.4Å; T83-L87 WeakPolarHBondContact O-CB 3.41Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.47Å; T83-L87 PolarHBondContact O-N 3.47Å; V84-L87 PolarHBondContact O-N 2.77Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-T89 PolarHBondContact O-N 3.42Å; L87-T90 WeakPolarHBondContact CA-OG1 3.35Å; L87-T90 PolarHBondContact O-N 3.41Å; L87-T90 PolarHBondContact O-OG1 3.29Å; L87-T90 VanDerWaalsContact O-OG1 3.08Å; L87-E91 PolarHBondContact O-N 3.36Å
88I70.4Confident72.4Confident29 Ų2958 Ų5815%0.14930%0.302CS..Hα-helixtrans-63-40.8178.2-68.1166.4000111.4V84 L85 L97 L100 L101V84-I88 HydrophobicContact CG1-CD1 3.6Å; V84-I88 HydrophobicContact CG1-CG1 4.31Å; V84-I88 VanDerWaalsContact O-CG1 3.24Å; V84-I88 WeakPolarHBondContact O-CG1 3.44Å; V84-I88 PolarHBondContact O-N 3.49Å; L85-I88 PolarHBondContact O-N 2.84Å; I88-L97 HydrophobicContact CB-CD1 4.18Å; I88-L97 HydrophobicContact CG2-CD1 3.99Å; I88-L100 HydrophobicContact CG2-CB 3.77Å; I88-L100 HydrophobicContact CG2-CD1 3.66Å; I88-L100 HydrophobicContact CG2-CG 4.36Å; I88-L101 HydrophobicContact CD1-CD2 3.89Å
89T68.5Low72.1Confident37 Ų3760.8 Ų60.823%0.22732%0.321CS..Hα-helixtrans-72.2-42.1178.637.60000113.3L85 Y86 L87 E91 N92 L97L85-T89 PolarHBondContact O-N 2.69Å; L85-T89 VanDerWaalsContact O-N 3.11Å; L85-T89 PolarHBondContact O-OG1 2.89Å; Y86-T89 VanDerWaalsContact CA-OG1 3.31Å; Y86-T89 WeakPolarHBondContact CA-OG1 3.4Å; Y86-T89 PolarHBondContact O-N 3.28Å; Y86-T89 PolarHBondContact O-OG1 3.2Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-T89 PolarHBondContact O-N 3.42Å; T89-E91 VanDerWaalsContact C-N 3.26Å; T89-E91 PolarHBondContact O-N 2.94Å; T89-N92 CarbonylContact O-C 3.2Å; T89-N92 PolarHBondContact O-N 3.08Å; T89-N92 VanDerWaalsContact O-N 3.08Å; T89-L97 HydrophobicContact CG2-CB 3.69Å; T89-L97 HydrophobicContact CG2-CD1 3.47Å; T89-L97 VanDerWaalsContact CG2-CD1 3.47Å; T89-L97 HydrophobicContact CG2-CD2 4.44Å; T89-L97 HydrophobicContact CG2-CG 4.03Å
90T70.8Confident71.7Confident68 Ų6859.3 Ų59.342%0.41731%0.314SS..Hα-helixtrans-64.5-29.6179.543.90000113.3Y86 L87 N92Y86-T90 HydrophobicContact CD1-CG2 4.1Å; Y86-T90 HydrophobicContact CD2-CG2 4.44Å; Y86-T90 HydrophobicContact CE1-CG2 3.57Å; Y86-T90 HydrophobicContact CE2-CG2 3.95Å; Y86-T90 VanDerWaalsContact CZ-CG2 3.48Å; Y86-T90 WeakPolarHBondContact O-CB 3.41Å; Y86-T90 WeakPolarHBondContact O-CG2 3.31Å; Y86-T90 PolarHBondContact O-N 3.18Å; Y86-T90 PolarHBondContact O-OG1 3.27Å; L87-T90 WeakPolarHBondContact CA-OG1 3.35Å; L87-T90 PolarHBondContact O-N 3.41Å; L87-T90 PolarHBondContact O-OG1 3.29Å; L87-T90 VanDerWaalsContact O-OG1 3.08Å; T90-N92 VanDerWaalsContact C-N 3.3Å; T90-N92 PolarHBondContact O-N 2.62Å
91E65.8Low71.7Confident113 Ų11360 Ų6053%0.52832%0.317SS..Hα-helixtrans-71.3-23174-73.3-166.8-179.300113.5K45 L87 T89K45-E91 WeakPolarHBondContact CE-OE2 3.41Å; L87-E91 PolarHBondContact O-N 3.36Å; T89-E91 VanDerWaalsContact C-N 3.26Å; T89-E91 PolarHBondContact O-N 2.94Å
92N66Low71.9Confident68 Ų6861.3 Ų61.336%0.36433%0.326SS..  trans-138.271.9-176.1-60.6-77.8000111.3T89 T90 D94 C95 L100T89-N92 CarbonylContact O-C 3.2Å; T89-N92 PolarHBondContact O-N 3.08Å; T89-N92 VanDerWaalsContact O-N 3.08Å; T90-N92 VanDerWaalsContact C-N 3.3Å; T90-N92 PolarHBondContact O-N 2.62Å; N92-D94 PolarHBondContact O-N 3.29Å; N92-D94 VanDerWaalsContact O-N 3.15Å; N92-C95 HydrophobicContact CB-CB 4.18Å; N92-C95 PolarHBondContact O-N 3.03Å; N92-C95 VanDerWaalsContact O-N 3.1Å; N92-L100 HydrophobicContact CB-CD1 3.91Å; N92-L100 HydrophobicContact CB-CD2 3.79Å
93P63.1Low71.8Confident108 Ų10865 Ų6570%0.70134%0.342SS*.THydrogen-bonded Turntrans-62.9-24.8-17224.5-34.3000114.1C95P93-C95 VanDerWaalsContact C-N 3.35Å
94D65.9Low71.7Confident164 Ų16468.3 Ų68.388%0.87735%0.354SS*.THydrogen-bonded Turntrans-83.5-11.4-179.1-62.9-33.9000113.3N92N92-D94 PolarHBondContact O-N 3.29Å; N92-D94 VanDerWaalsContact O-N 3.15Å
95C66.9Low72Confident58 Ų5867.8 Ų67.839%0.39235%0.351SS..SBendtrans-105.2139.7-176.9-70.50000111.2N92 P93 L100N92-C95 HydrophobicContact CB-CB 4.18Å; N92-C95 PolarHBondContact O-N 3.03Å; N92-C95 VanDerWaalsContact O-N 3.1Å; P93-C95 VanDerWaalsContact C-N 3.35Å; C95-L100 HydrophobicContact CB-CD1 4.23Å; C95-L100 HydrophobicContact CB-CD2 3.78Å; C95-L100 HydrophobicContact CB-CG 4.06Å
96K70Confident72.3Confident107 Ų10768 Ų6847%0.46535%0.352SS..  trans-71.2140.9170.4-65.7-168.7176.2-169.40110.2W98 S99K96-W98 VanDerWaalsContact C-N 3.29Å; K96-W98 HydrophobicContact CB-CZ2 4.45Å; K96-W98 HydrophobicContact CD-CZ2 4.27Å; K96-W98 PolarHBondContact O-N 3.34Å; K96-W98 VanDerWaalsContact O-N 3.15Å; K96-S99 WeakPolarHBondContact O-CB 3.48Å; K96-S99 PolarHBondContact O-N 3.2Å; K96-S99 PolarHBondContact O-OG 3.47Å
97L68Low72.6Confident13 Ų1363.3 Ų63.37%0.06834%0.337CS..G310 helixtrans-50.2-42.5-173.8-178.466.4000113.9L85 I88 T89 S99 L100 F138L85-L97 HydrophobicContact CB-CD1 4.19Å; L85-L97 HydrophobicContact CB-CD2 4.01Å; L85-L97 HydrophobicContact CD1-CD2 4.22Å; L85-L97 HydrophobicContact CD2-CD1 4.11Å; L85-L97 HydrophobicContact CD2-CD2 4.01Å; L85-L97 HydrophobicContact CD2-CG 4.36Å; L85-L97 HydrophobicContact CG-CD2 4.29Å; L85-L97 VanDerWaalsContact O-CD1 3.31Å; L85-L97 WeakPolarHBondContact O-CD1 3.09Å; I88-L97 HydrophobicContact CB-CD1 4.18Å; I88-L97 HydrophobicContact CG2-CD1 3.99Å; T89-L97 HydrophobicContact CG2-CB 3.69Å; T89-L97 HydrophobicContact CG2-CD1 3.47Å; T89-L97 VanDerWaalsContact CG2-CD1 3.47Å; T89-L97 HydrophobicContact CG2-CD2 4.44Å; T89-L97 HydrophobicContact CG2-CG 4.03Å; L97-S99 PolarHBondContact O-N 3.39Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-F138 HydrophobicContact CB-CD2 4.2Å; L97-F138 HydrophobicContact CB-CE2 4.23Å; L97-F138 HydrophobicContact CD2-CB 3.94Å; L97-F138 HydrophobicContact CD2-CD1 4.41Å; L97-F138 HydrophobicContact CD2-CD2 3.12Å; L97-F138 HydrophobicContact CD2-CE2 3.59Å; L97-F138 HydrophobicContact CD2-CG 3.57Å; L97-F138 HydrophobicContact CD2-CZ 4.39Å; L97-F138 HydrophobicContact CG-CD2 3.63Å; L97-F138 HydrophobicContact CG-CE2 3.56Å; L97-F138 HydrophobicContact CG-CG 4.47Å; L97-F138 HydrophobicContact CG-CZ 4.38Å
98W66.8Low72.9Confident78 Ų7859.7 Ų59.730%0.29532%0.319SS..G310 helixtrans-65.5-22.3179.759.6-98.3000114.4K96 L100 F138 L142 Y145K96-W98 VanDerWaalsContact C-N 3.29Å; K96-W98 HydrophobicContact CB-CZ2 4.45Å; K96-W98 HydrophobicContact CD-CZ2 4.27Å; K96-W98 PolarHBondContact O-N 3.34Å; K96-W98 VanDerWaalsContact O-N 3.15Å; W98-L100 VanDerWaalsContact C-N 3.34Å; W98-F138 HydrophobicContact CB-CE2 4.37Å; W98-L142 HydrophobicContact CB-CD2 3.65Å; W98-Y145 HydrophobicContact CZ2-CG 4.29Å; W98-Y145 AromaticContact NE1-CD2 3.79Å; W98-Y145 AromaticContact NE1-CG 3.87Å
99S70.6Confident73.5Confident59 Ų5958.3 Ų58.341%0.41331%0.312SS..G310 helixtrans-82.8-13.9-179.168.90000113.4K96 L97K96-S99 WeakPolarHBondContact O-CB 3.48Å; K96-S99 PolarHBondContact O-N 3.2Å; K96-S99 PolarHBondContact O-OG 3.47Å; L97-S99 PolarHBondContact O-N 3.39Å
100L73Confident74.4Confident39 Ų3956.6 Ų56.620%0.20430%0.301CS..THydrogen-bonded Turntrans-88.5-20.9-176.6-64168000112.4I88 N92 C95 L97 W98I88-L100 HydrophobicContact CG2-CB 3.77Å; I88-L100 HydrophobicContact CG2-CD1 3.66Å; I88-L100 HydrophobicContact CG2-CG 4.36Å; N92-L100 HydrophobicContact CB-CD1 3.91Å; N92-L100 HydrophobicContact CB-CD2 3.79Å; C95-L100 HydrophobicContact CB-CD1 4.23Å; C95-L100 HydrophobicContact CB-CD2 3.78Å; C95-L100 HydrophobicContact CB-CG 4.06Å; L97-L100 PolarHBondContact O-N 3.43Å; W98-L100 VanDerWaalsContact C-N 3.34Å
101L76.7Confident75Confident16 Ų1655.1 Ų55.18%0.08429%0.294CS..SBendtrans-101.3146.3-177.3-68.3171000110.9L85 I88 F138L85-L101 HydrophobicContact CD2-CD1 4.43Å; I88-L101 HydrophobicContact CD1-CD2 3.89Å; L101-F138 HydrophobicContact CD1-CZ 3.83Å
102S82.1Confident75.7Confident29 Ų2949.8 Ų49.820%0.20327%0.269CS..  trans-67.7153.3168.8650000110.6E104 C105 C106S102-E104 PolarHBondContact O-N 3.07Å; S102-C105 WeakPolarHBondContact O-CB 3.41Å; S102-C105 PolarHBondContact O-N 3.47Å; S102-C105 VanDerWaalsContact O-N 3.12Å; S102-C105 VanDerWaalsContact OG-CB 3.23Å; S102-C105 WeakPolarHBondContact OG-CB 3.25Å; S102-C105 PolarHBondContact OG-N 2.87Å; S102-C106 PolarHBondContact O-N 3.04Å; S102-C106 PolarHBondContact O-SG 3.47Å
103E79.7Confident76.6Confident94 Ų9446.5 Ų46.544%0.43925%0.252SS..Hα-helixtrans-60.1-35.8178.2-63.4-172.6167.200112.1C106 L107 N148E103-C106 WeakPolarHBondContact O-CB 3.45Å; E103-C106 PolarHBondContact O-N 3.09Å; E103-L107 WeakPolarHBondContact O-CG 3.37Å; E103-L107 PolarHBondContact O-N 3.27Å; E103-N148 HydrophobicContact CB-CB 4.5Å; E103-N148 HydrophobicContact CG-CB 4.3Å; E103-N148 WeakPolarHBondContact OE2-CB 3.24Å; E103-N148 PolarHBondContact OE2-ND2 3.38Å
104E79.7Confident77.5Confident116 Ų11645.3 Ų45.354%0.54224%0.235SC..Hα-helixtrans-65.5-41.3175.9-66.3162.1152.300111.3E52 S102 L107 A108E52-E104 HydrophobicContact CG-CB 4.27Å; E52-E104 WeakPolarHBondContact OE2-CB 2.93Å; S102-E104 PolarHBondContact O-N 3.07Å; E104-L107 PolarHBondContact O-N 3.45Å; E104-A108 WeakPolarHBondContact O-CB 3.28Å; E104-A108 PolarHBondContact O-N 3.01Å
105C81.2Confident78.1Confident0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-63.3-42172.7-174.80000111.4I51 E52 S102 L107 A108 F109I51-C105 WeakPolarHBondContact CG2-SG 3.31Å; E52-C105 HydrophobicContact CB-CB 4.19Å; S102-C105 WeakPolarHBondContact O-CB 3.41Å; S102-C105 PolarHBondContact O-N 3.47Å; S102-C105 VanDerWaalsContact O-N 3.12Å; S102-C105 VanDerWaalsContact OG-CB 3.23Å; S102-C105 WeakPolarHBondContact OG-CB 3.25Å; S102-C105 PolarHBondContact OG-N 2.87Å; C105-L107 VanDerWaalsContact C-N 3.34Å; C105-L107 PolarHBondContact O-N 2.98Å; C105-A108 PolarHBondContact O-N 3.18Å; C105-F109 VanDerWaalsContact O-CB 3.23Å; C105-F109 WeakPolarHBondContact O-CB 3.46Å; C105-F109 PolarHBondContact O-N 3.15Å
106C83.5Confident78.6Confident4 Ų436.1 Ų36.13%0.02718%0.183CC..Hα-helixtrans-63.1-39174.7-65.90000112.1S102 E103 T110 L142 V151S102-C106 PolarHBondContact O-N 3.04Å; S102-C106 PolarHBondContact O-SG 3.47Å; E103-C106 WeakPolarHBondContact O-CB 3.45Å; E103-C106 PolarHBondContact O-N 3.09Å; C106-T110 WeakPolarHBondContact O-CB 3.49Å; C106-T110 VanDerWaalsContact O-CG2 3.24Å; C106-T110 WeakPolarHBondContact O-CG2 3.16Å; C106-T110 PolarHBondContact O-N 2.75Å; C106-T110 PolarHBondContact O-OG1 3.24Å; C106-L142 HydrophobicContact CB-CD1 4.43Å; C106-L142 HydrophobicContact CB-CD2 4.24Å; C106-V151 HydrophobicContact CB-CG1 3.89Å; C106-V151 HydrophobicContact CB-CG2 4.11Å
107L82.3Confident78.9Confident45 Ų4531.9 Ų31.924%0.23617%0.165CC..Hα-helixtrans-63.9-45.8174.1-77.5175.1000111.9E103 E104 C105 F109 T110 S111 D150 V151E103-L107 WeakPolarHBondContact O-CG 3.37Å; E103-L107 PolarHBondContact O-N 3.27Å; E104-L107 PolarHBondContact O-N 3.45Å; C105-L107 VanDerWaalsContact C-N 3.34Å; C105-L107 PolarHBondContact O-N 2.98Å; L107-F109 VanDerWaalsContact C-N 3.34Å; L107-T110 WeakPolarHBondContact CA-OG1 3.36Å; L107-T110 PolarHBondContact O-N 3.2Å; L107-T110 PolarHBondContact O-OG1 3.02Å; L107-T110 VanDerWaalsContact O-OG1 3.05Å; L107-S111 VanDerWaalsContact O-CB 3.22Å; L107-S111 WeakPolarHBondContact O-CB 3.19Å; L107-S111 PolarHBondContact O-N 3.01Å; L107-S111 PolarHBondContact O-OG 3.31Å; L107-D150 HydrophobicContact CD2-CB 3.96Å; L107-V151 HydrophobicContact CD1-CG2 4.45Å; L107-V151 HydrophobicContact CD2-CB 4.31Å; L107-V151 HydrophobicContact CD2-CG2 3.66Å; L107-V151 HydrophobicContact CG-CG2 3.57Å
108A80.2Confident79Confident8 Ų834.4 Ų34.47%0.06618%0.184CC..Hα-helixtrans-61.6-44.917700000111E52 E104 C105 S111 A112E52-A108 HydrophobicContact CG-CB 4.11Å; E104-A108 WeakPolarHBondContact O-CB 3.28Å; E104-A108 PolarHBondContact O-N 3.01Å; C105-A108 PolarHBondContact O-N 3.18Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-A112 WeakPolarHBondContact O-CB 3.27Å; A108-A112 PolarHBondContact O-N 2.71Å
109F83.3Confident78.8Confident1 Ų132.9 Ų32.90%0.00418%0.18CC..Hα-helixtrans-59.7-52177.3-172-83.7000112.1Y55 M81 L85 C105 L107 S111 A112 L113 F138Y55-F109 HydrophobicContact CD2-CB 4.4Å; Y55-F109 HydrophobicContact CD2-CD2 4.01Å; Y55-F109 HydrophobicContact CE1-CD2 4.47Å; Y55-F109 AromaticContact CE2-CD2 3.62Å; Y55-F109 HydrophobicContact CE2-CD2 3.62Å; Y55-F109 HydrophobicContact CE2-CE2 4.24Å; Y55-F109 AromaticContact CZ-CD2 3.87Å; M81-F109 HydrophobicContact CB-CZ 4.43Å; M81-F109 HydrophobicContact CE-CD2 3.79Å; M81-F109 HydrophobicContact CE-CE2 3.78Å; M81-F109 HydrophobicContact CE-CG 4.25Å; M81-F109 HydrophobicContact CE-CZ 4.18Å; M81-F109 HydrophobicContact CG-CE2 4.47Å; M81-F109 HydrophobicContact SD-CD2 3.62Å; M81-F109 HydrophobicContact SD-CE2 3.08Å; M81-F109 WeakPolarHBondContact SD-CE2 3.41Å; M81-F109 HydrophobicContact SD-CZ 3.63Å; L85-F109 HydrophobicContact CD1-CE1 4.27Å; L85-F109 HydrophobicContact CD1-CE2 4.29Å; L85-F109 HydrophobicContact CD1-CZ 3.6Å; L85-F109 HydrophobicContact CD2-CE2 3.79Å; L85-F109 HydrophobicContact CD2-CZ 3.88Å; L85-F109 HydrophobicContact CG-CE2 4.05Å; L85-F109 HydrophobicContact CG-CZ 3.87Å; C105-F109 VanDerWaalsContact O-CB 3.23Å; C105-F109 WeakPolarHBondContact O-CB 3.46Å; C105-F109 PolarHBondContact O-N 3.15Å; L107-F109 VanDerWaalsContact C-N 3.34Å; F109-S111 VanDerWaalsContact C-N 3.32Å; F109-S111 PolarHBondContact O-N 2.88Å; F109-A112 PolarHBondContact O-N 3.35Å; F109-L113 HydrophobicContact CD1-CD1 3.78Å; F109-L113 HydrophobicContact CD1-CG 4.43Å; F109-L113 HydrophobicContact CE1-CD1 3.32Å; F109-L113 HydrophobicContact CE1-CG 4.18Å; F109-L113 HydrophobicContact CZ-CD1 4.15Å; F109-L113 PolarHBondContact O-N 3.21Å; F109-L113 VanDerWaalsContact O-N 3.07Å; F109-F138 HydrophobicContact CD1-CD1 4.21Å; F109-F138 AromaticContact CD1-CE1 3.73Å; F109-F138 HydrophobicContact CD1-CE1 3.73Å; F109-F138 AromaticContact CE1-CD1 3.68Å; F109-F138 HydrophobicContact CE1-CD1 3.68Å; F109-F138 AromaticContact CE1-CE1 3.62Å; F109-F138 HydrophobicContact CE1-CE1 3.62Å; F109-F138 HydrophobicContact CG-CE1 4.35Å; F109-F138 HydrophobicContact CZ-CD1 4.21Å; F109-F138 HydrophobicContact CZ-CE1 4.16Å
110T86.1Confident78.1Confident0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-65.9-34.5179.950.90000112.2C106 L107 L113 K114 L139 L142 N154 S155 T158C106-T110 WeakPolarHBondContact O-CB 3.49Å; C106-T110 VanDerWaalsContact O-CG2 3.24Å; C106-T110 WeakPolarHBondContact O-CG2 3.16Å; C106-T110 PolarHBondContact O-N 2.75Å; C106-T110 PolarHBondContact O-OG1 3.24Å; L107-T110 WeakPolarHBondContact CA-OG1 3.36Å; L107-T110 PolarHBondContact O-N 3.2Å; L107-T110 PolarHBondContact O-OG1 3.02Å; L107-T110 VanDerWaalsContact O-OG1 3.05Å; T110-L113 PolarHBondContact O-N 2.66Å; T110-K114 VanDerWaalsContact O-CB 3.31Å; T110-K114 WeakPolarHBondContact O-CB 3.32Å; T110-K114 PolarHBondContact O-N 3.45Å; T110-L139 HydrophobicContact CG2-CD2 3.77Å; T110-L142 HydrophobicContact CG2-CD1 3.84Å; T110-N154 WeakPolarHBondContact CB-ND2 3.49Å; T110-N154 PolarHBondContact OG1-ND2 3.4Å; T110-S155 WeakPolarHBondContact CG2-OG 3.49Å; T110-T158 PolarHBondContact O-OG1 2.77Å
111S84.2Confident77Confident38 Ų3833 Ų3327%0.26618%0.175SC..Hα-helixtrans-69.6-42.8177.1-580000111.7L107 A108 F109 L113 K114 T115 N154L107-S111 VanDerWaalsContact O-CB 3.22Å; L107-S111 WeakPolarHBondContact O-CB 3.19Å; L107-S111 PolarHBondContact O-N 3.01Å; L107-S111 PolarHBondContact O-OG 3.31Å; A108-S111 PolarHBondContact O-N 3.48Å; F109-S111 VanDerWaalsContact C-N 3.32Å; F109-S111 PolarHBondContact O-N 2.88Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-L113 PolarHBondContact O-N 3.3Å; S111-K114 WeakPolarHBondContact O-CB 3.35Å; S111-K114 PolarHBondContact O-N 3.26Å; S111-K114 VanDerWaalsContact O-N 3.16Å; S111-T115 PolarHBondContact O-N 2.86Å; S111-T115 PolarHBondContact O-OG1 3.22Å; S111-N154 PolarHBondContact N-ND2 2.97Å; S111-N154 VanDerWaalsContact N-ND2 3.18Å; S111-N154 PolarHBondContact OG-ND2 2.99Å
112A81.4Confident75.8Confident0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-62.9-38.6175.100000112.2F77 M81 A108 F109 T115 L116F77-A112 HydrophobicContact CZ-CB 4.23Å; M81-A112 HydrophobicContact CE-CB 4.23Å; A108-A112 WeakPolarHBondContact O-CB 3.27Å; A108-A112 PolarHBondContact O-N 2.71Å; F109-A112 PolarHBondContact O-N 3.35Å; A112-T115 PolarHBondContact O-OG1 3.08Å; A112-L116 VanDerWaalsContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CB 3.32Å; A112-L116 PolarHBondContact O-N 2.7Å
113L83.8Confident74.4Confident0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-68.6-37.3173.1-73.7177.7000112.5L78 M81 F109 T110 S111 L116 F117 I135 L139 T158L78-L113 HydrophobicContact CD2-CD2 3.88Å; M81-L113 HydrophobicContact CE-CD2 4.42Å; M81-L113 HydrophobicContact CE-CG 4.31Å; F109-L113 HydrophobicContact CD1-CD1 3.78Å; F109-L113 HydrophobicContact CD1-CG 4.43Å; F109-L113 HydrophobicContact CE1-CD1 3.32Å; F109-L113 HydrophobicContact CE1-CG 4.18Å; F109-L113 HydrophobicContact CZ-CD1 4.15Å; F109-L113 PolarHBondContact O-N 3.21Å; F109-L113 VanDerWaalsContact O-N 3.07Å; T110-L113 PolarHBondContact O-N 2.66Å; S111-L113 VanDerWaalsContact C-N 3.32Å; S111-L113 PolarHBondContact O-N 3.3Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 PolarHBondContact O-N 3.44Å; L113-F117 HydrophobicContact CB-CD2 4.46Å; L113-F117 HydrophobicContact CB-CE2 4.27Å; L113-F117 HydrophobicContact CD2-CE2 4.41Å; L113-F117 HydrophobicContact CD2-CZ 4.45Å; L113-F117 WeakPolarHBondContact O-CB 3.39Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.46Å; L113-F117 WeakPolarHBondContact O-CG 3.3Å; L113-F117 PolarHBondContact O-N 2.77Å; L113-I135 HydrophobicContact CD1-CG2 3.54Å; L113-I135 HydrophobicContact CD2-CG2 4.34Å; L113-L139 HydrophobicContact CD1-CD1 4.37Å; L113-L139 HydrophobicContact CD1-CD2 4.21Å; L113-T158 HydrophobicContact CB-CG2 3.68Å
114K82.4Confident73.1Confident82 Ų8230.2 Ų30.236%0.35717%0.166SC..Hα-helixtrans-63.2-46.9178-171.3-175.2173.9-174.70111.2T110 S111 S118 N154 T158 L161T110-K114 VanDerWaalsContact O-CB 3.31Å; T110-K114 WeakPolarHBondContact O-CB 3.32Å; T110-K114 PolarHBondContact O-N 3.45Å; S111-K114 WeakPolarHBondContact O-CB 3.35Å; S111-K114 PolarHBondContact O-N 3.26Å; S111-K114 VanDerWaalsContact O-N 3.16Å; K114-S118 WeakPolarHBondContact O-CB 3.31Å; K114-S118 PolarHBondContact O-N 2.93Å; K114-S118 VanDerWaalsContact O-N 3.11Å; K114-N154 WeakPolarHBondContact CD-OD1 3.37Å; K114-T158 WeakPolarHBondContact CB-OG1 3.38Å; K114-L161 HydrophobicContact CB-CD1 4.37Å; K114-L161 HydrophobicContact CG-CD1 3.45Å; K114-L161 VanDerWaalsContact CG-CD1 3.45Å; K114-L161 WeakPolarHBondContact O-CD1 3.45Å
115T78Confident72.1Confident29 Ų2926.7 Ų26.718%0.17816%0.157CC..Hα-helixtrans-63.9-44.8176.148.80000110.7S111 A112 F117 S118 E119S111-T115 PolarHBondContact O-N 2.86Å; S111-T115 PolarHBondContact O-OG1 3.22Å; A112-T115 PolarHBondContact O-OG1 3.08Å; T115-F117 PolarHBondContact O-N 3.5Å; T115-S118 WeakPolarHBondContact O-CB 3.38Å; T115-S118 PolarHBondContact O-N 2.97Å; T115-E119 PolarHBondContact O-N 3.36Å
116L77.8Confident71.2Confident0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-56.9-53175.9-174.781.5000113.1F62 C74 F77 L78 A112 L113 S118 E119 V120F62-L116 HydrophobicContact CD1-CD1 4.08Å; F62-L116 HydrophobicContact CD2-CB 4.35Å; F62-L116 HydrophobicContact CD2-CD1 4.42Å; F62-L116 HydrophobicContact CE1-CD1 3.67Å; F62-L116 HydrophobicContact CE2-CB 4.43Å; F62-L116 HydrophobicContact CE2-CD1 4.05Å; F62-L116 HydrophobicContact CG-CD1 4.47Å; F62-L116 HydrophobicContact CZ-CD1 3.67Å; C74-L116 HydrophobicContact CB-CD1 3.82Å; F77-L116 HydrophobicContact CD1-CD1 4.1Å; F77-L116 HydrophobicContact CD1-CD2 3.7Å; F77-L116 HydrophobicContact CD1-CG 4.44Å; F77-L116 HydrophobicContact CE1-CD2 3.97Å; L78-L116 HydrophobicContact CD1-CD2 4.3Å; L78-L116 HydrophobicContact CD2-CD2 3.51Å; L78-L116 HydrophobicContact CG-CD2 3.74Å; A112-L116 VanDerWaalsContact O-CB 3.26Å; A112-L116 WeakPolarHBondContact O-CB 3.32Å; A112-L116 PolarHBondContact O-N 2.7Å; L113-L116 HydrophobicContact CD2-CD2 4.4Å; L113-L116 PolarHBondContact O-N 3.44Å; L116-S118 PolarHBondContact O-N 3.02Å; L116-E119 PolarHBondContact O-N 3.05Å; L116-E119 VanDerWaalsContact O-N 3.07Å; L116-V120 HydrophobicContact CD1-CG2 3.99Å; L116-V120 HydrophobicContact CG-CG2 4.17Å; L116-V120 VanDerWaalsContact O-CG2 3.29Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 3.37Å
117F75.8Confident70.4Confident18 Ų1841.2 Ų41.28%0.07922%0.224CC..Hα-helixtrans-68.3-23.6-178.4-69.4-41.4000113.2L78 L113 T115 E119 V123 T158 L161 I162L78-F117 HydrophobicContact CD2-CE1 4.15Å; L78-F117 HydrophobicContact CD2-CZ 4.19Å; L113-F117 HydrophobicContact CB-CD2 4.46Å; L113-F117 HydrophobicContact CB-CE2 4.27Å; L113-F117 HydrophobicContact CD2-CE2 4.41Å; L113-F117 HydrophobicContact CD2-CZ 4.45Å; L113-F117 WeakPolarHBondContact O-CB 3.39Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.46Å; L113-F117 WeakPolarHBondContact O-CG 3.3Å; L113-F117 PolarHBondContact O-N 2.77Å; T115-F117 PolarHBondContact O-N 3.5Å; F117-E119 PolarHBondContact O-N 3.19Å; F117-V123 HydrophobicContact CD1-CG2 4.41Å; F117-V123 HydrophobicContact CE1-CG1 4.34Å; F117-V123 HydrophobicContact CE1-CG2 4.45Å; F117-T158 HydrophobicContact CD2-CG2 3.63Å; F117-T158 HydrophobicContact CE2-CG2 3.86Å; F117-L161 HydrophobicContact CB-CB 3.98Å; F117-I162 HydrophobicContact CD1-CG1 4.44Å; F117-I162 HydrophobicContact CD2-CD1 4.23Å; F117-I162 HydrophobicContact CD2-CG1 3.65Å; F117-I162 HydrophobicContact CE1-CG1 4.37Å; F117-I162 HydrophobicContact CE2-CD1 3.65Å; F117-I162 HydrophobicContact CE2-CG1 3.56Å; F117-I162 HydrophobicContact CG-CG1 4.12Å; F117-I162 HydrophobicContact CZ-CD1 3.97Å; F117-I162 HydrophobicContact CZ-CG1 3.95Å
118S69.9Low70Confident67 Ų6739.4 Ų39.447%0.46922%0.215SC..Hα-helixtrans-67.5-22.9172.5-168.70000112.9K114 T115 L116K114-S118 WeakPolarHBondContact O-CB 3.31Å; K114-S118 PolarHBondContact O-N 2.93Å; K114-S118 VanDerWaalsContact O-N 3.11Å; T115-S118 WeakPolarHBondContact O-CB 3.38Å; T115-S118 PolarHBondContact O-N 2.97Å; L116-S118 PolarHBondContact O-N 3.02Å
119E62.2Low69.8Low45 Ų4540.6 Ų40.621%0.2122%0.22CC..Hα-helixtrans-105.6-32.2-172.6-68.4178.5-167.400113.1F62 S65 A66 T115 L116 F117 M121F62-E119 VanDerWaalsContact C-OE1 3.3Å; S65-E119 PolarHBondContact OG-OE2 2.94Å; A66-E119 VanDerWaalsContact CA-CD 3.41Å; A66-E119 WeakPolarHBondContact CA-OE1 3.47Å; A66-E119 HydrophobicContact CB-CG 4.35Å; A66-E119 WeakPolarHBondContact CB-OE1 3.5Å; T115-E119 PolarHBondContact O-N 3.36Å; L116-E119 PolarHBondContact O-N 3.05Å; L116-E119 VanDerWaalsContact O-N 3.07Å; F117-E119 PolarHBondContact O-N 3.19Å; E119-M121 PolarHBondContact O-N 2.56Å
120V56.9Low69.6Low22 Ų2244.8 Ų44.813%0.13325%0.247CC..  trans-96104.2-165.8-173.90000111.7C74 L116 S122 V123C74-V120 HydrophobicContact CB-CG1 4.14Å; C74-V120 HydrophobicContact CB-CG2 3.67Å; C74-V120 WeakPolarHBondContact SG-CG2 3.28Å; L116-V120 HydrophobicContact CD1-CG2 3.99Å; L116-V120 HydrophobicContact CG-CG2 4.17Å; L116-V120 VanDerWaalsContact O-CG2 3.29Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 3.37Å; V120-S122 VanDerWaalsContact C-N 3.25Å; V120-S122 WeakPolarHBondContact CG1-OG 3.41Å; V120-S122 PolarHBondContact O-N 3.14Å; V120-V123 HydrophobicContact CB-CG2 3.99Å; V120-V123 HydrophobicContact CG1-CG2 3.55Å
121M50.8Low69.4Low79 Ų7946 Ų4639%0.38925%0.254SS..THydrogen-bonded Turntrans-67.8-19.2171-64-101.2-78.800113.8E119 V166 L169E119-M121 PolarHBondContact O-N 2.56Å; M121-V166 HydrophobicContact CE-CB 4.39Å; M121-V166 HydrophobicContact CE-CG1 3.19Å; M121-V166 HydrophobicContact SD-CB 4.12Å; M121-V166 HydrophobicContact SD-CG1 3.48Å; M121-V166 WeakPolarHBondContact SD-CG1 3.3Å; M121-V166 VanDerWaalsContact SD-O 3.36Å; M121-L169 HydrophobicContact SD-CB 4.24Å
122S51.4Low69.1Low39 Ų3944.8 Ų44.827%0.27324%0.244SC..THydrogen-bonded Turntrans-103.416-162.568.50000115.7S71 V120 T124S71-S122 WeakPolarHBondContact CB-OG 3.26Å; V120-S122 VanDerWaalsContact C-N 3.25Å; V120-S122 WeakPolarHBondContact CG1-OG 3.41Å; V120-S122 PolarHBondContact O-N 3.14Å; S122-T124 PolarHBondContact O-N 3.42Å; S122-T124 VanDerWaalsContact O-N 3.1Å
123V52.7Low69.2Low21 Ų2147 Ų4713%0.12726%0.259CS..THydrogen-bonded Turntrans-72.71.6-178.9-171.80000112.5L78 F117 V120 A125 I132L78-V123 HydrophobicContact CD1-CG1 4.04Å; L78-V123 HydrophobicContact CD1-CG2 4.32Å; F117-V123 HydrophobicContact CD1-CG2 4.41Å; F117-V123 HydrophobicContact CE1-CG1 4.34Å; F117-V123 HydrophobicContact CE1-CG2 4.45Å; V120-V123 HydrophobicContact CB-CG2 3.99Å; V120-V123 HydrophobicContact CG1-CG2 3.55Å; V123-A125 VanDerWaalsContact C-N 3.27Å; V123-A125 PolarHBondContact O-N 3.03Å; V123-I132 HydrophobicContact CG1-CD1 3.3Å; V123-I132 HydrophobicContact CG1-CG1 3.68Å; V123-I132 WeakPolarHBondContact O-CD1 3.37Å
124T52Low69.3Low20 Ų2049.5 Ų49.512%0.12327%0.271CS..THydrogen-bonded Turntrans-78.52.4-179.654.10000115S122 Q126 L180 L184S122-T124 PolarHBondContact O-N 3.42Å; S122-T124 VanDerWaalsContact O-N 3.1Å; T124-Q126 PolarHBondContact O-N 3.06Å; T124-L180 VanDerWaalsContact OG1-CD2 3.29Å; T124-L180 WeakPolarHBondContact OG1-CD2 3.19Å; T124-L184 HydrophobicContact CG2-CB 3.76Å; T124-L184 HydrophobicContact CG2-CD1 4.2Å
125A58.3Low69.5Low43 Ų4345.6 Ų45.636%0.35525%0.254SS..  trans-65.7125.117500000110.5V123 E127 C128V123-A125 VanDerWaalsContact C-N 3.27Å; V123-A125 PolarHBondContact O-N 3.03Å; A125-E127 PolarHBondContact O-N 3.05Å; A125-C128 WeakPolarHBondContact O-CB 3.15Å; A125-C128 PolarHBondContact O-N 3.45Å
126Q62.6Low69.9Low133 Ų13344.4 Ų44.462%0.62125%0.247SC*.G310 helixtrans-52.6-30.5-179.7-172.370.2-1.500113T124 C128 L129T124-Q126 PolarHBondContact O-N 3.06Å; Q126-C128 VanDerWaalsContact C-N 3.29Å; Q126-C128 PolarHBondContact O-N 3.15Å; Q126-L129 VanDerWaalsContact O-CB 3.31Å; Q126-L129 WeakPolarHBondContact O-CB 3.34Å; Q126-L129 PolarHBondContact O-N 2.89Å
127E67.4Low70.4Confident176 Ų17647.5 Ų47.582%0.82227%0.268SS*.G310 helixtrans-64.2-30.9177.6-61.9175.2179.100112.9A125 L129 P130A125-E127 PolarHBondContact O-N 3.05Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-P130 WeakPolarHBondContact O-CD 3.28Å
128C72.1Confident70.9Confident6 Ų646.8 Ų46.84%0.04127%0.265CS..G310 helixtrans-83-9.3-179.6-62.70000112.8V75 A125 Q126 I131 I132V75-C128 VanDerWaalsContact CG1-SG 3.54Å; A125-C128 WeakPolarHBondContact O-CB 3.15Å; A125-C128 PolarHBondContact O-N 3.45Å; Q126-C128 VanDerWaalsContact C-N 3.29Å; Q126-C128 PolarHBondContact O-N 3.15Å; C128-I131 WeakPolarHBondContact O-CB 3.38Å; C128-I131 PolarHBondContact O-N 3.33Å; C128-I131 VanDerWaalsContact O-N 3.1Å; C128-I132 HydrophobicContact CB-CD1 3.77Å; C128-I132 HydrophobicContact CB-CG1 4.33Å; C128-I132 WeakPolarHBondContact O-CD1 3.43Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.29Å; C128-I132 PolarHBondContact O-N 3.16Å
129L76.3Confident71.9Confident33 Ų3343.6 Ų43.617%0.17324%0.243CC..Hα-helixtrans-57-43.4-173.1-171.268.3000113.9Q126 E127 I131 I132 S133 F191Q126-L129 VanDerWaalsContact O-CB 3.31Å; Q126-L129 WeakPolarHBondContact O-CB 3.34Å; Q126-L129 PolarHBondContact O-N 2.89Å; E127-L129 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 2.77Å; L129-I132 PolarHBondContact O-N 2.66Å; L129-S133 WeakPolarHBondContact O-CB 3.49Å; L129-S133 PolarHBondContact O-N 3.23Å; L129-F191 HydrophobicContact CD1-CE2 3.55Å; L129-F191 HydrophobicContact CD1-CZ 3.4Å; L129-F191 HydrophobicContact CG-CZ 3.94Å
130P79.9Confident73.1Confident89 Ų8942.2 Ų42.258%0.57824%0.237SC*.Hα-helixtrans-64.9-38.7176.2-2134.4000112.8E127 S133 H134E127-P130 WeakPolarHBondContact O-CD 3.28Å; P130-S133 WeakPolarHBondContact O-CB 3.49Å; P130-S133 PolarHBondContact O-N 3.02Å; P130-H134 PolarHBondContact O-N 2.91Å
131I81.5Confident74.6Confident26 Ų2643.3 Ų43.313%0.13324%0.242CC..Hα-helixtrans-64.1-47.8178.3-61.9171000109.5L78 D79 C128 L129 S133 H134 I135L78-I131 HydrophobicContact CB-CG2 3.89Å; L78-I131 VanDerWaalsContact O-CG2 3.24Å; L78-I131 WeakPolarHBondContact O-CG2 3.46Å; D79-I131 HydrophobicContact CB-CD1 3.89Å; D79-I131 WeakPolarHBondContact OD1-CD1 3.47Å; C128-I131 WeakPolarHBondContact O-CB 3.38Å; C128-I131 PolarHBondContact O-N 3.33Å; C128-I131 VanDerWaalsContact O-N 3.1Å; L129-I131 PolarHBondContact O-N 2.77Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 2.91Å; I131-H134 PolarHBondContact O-N 3.28Å; I131-I135 HydrophobicContact CG2-CD1 4.04Å; I131-I135 WeakPolarHBondContact O-CG1 3.28Å; I131-I135 PolarHBondContact O-N 3.49Å
132I79.1Confident76.3Confident12 Ų1239.7 Ų39.76%0.06222%0.224CC..Hα-helixtrans-62.5-42.2176.8-63.3156.1000110.7V123 C128 L129 H134 I135 C136 F191V123-I132 HydrophobicContact CG1-CD1 3.3Å; V123-I132 HydrophobicContact CG1-CG1 3.68Å; V123-I132 WeakPolarHBondContact O-CD1 3.37Å; C128-I132 HydrophobicContact CB-CD1 3.77Å; C128-I132 HydrophobicContact CB-CG1 4.33Å; C128-I132 WeakPolarHBondContact O-CD1 3.43Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.29Å; C128-I132 PolarHBondContact O-N 3.16Å; L129-I132 PolarHBondContact O-N 2.66Å; I132-H134 VanDerWaalsContact C-N 3.34Å; I132-H134 PolarHBondContact O-N 2.99Å; I132-I135 PolarHBondContact O-N 2.94Å; I132-C136 VanDerWaalsContact O-CB 3.29Å; I132-C136 WeakPolarHBondContact O-CB 3.38Å; I132-C136 PolarHBondContact O-N 2.98Å; I132-C136 PolarHBondContact O-SG 3.26Å; I132-F191 HydrophobicContact CG2-CE2 4.25Å
133S82.8Confident78Confident46 Ų4638 Ų3832%0.32221%0.213SC..Hα-helixtrans-58.6-46.7177.5-172.40000111.6L129 P130 I131 C136 S137 F191L129-S133 WeakPolarHBondContact O-CB 3.49Å; L129-S133 PolarHBondContact O-N 3.23Å; P130-S133 WeakPolarHBondContact O-CB 3.49Å; P130-S133 PolarHBondContact O-N 3.02Å; I131-S133 VanDerWaalsContact C-N 3.34Å; I131-S133 PolarHBondContact O-N 2.91Å; S133-C136 PolarHBondContact O-N 2.97Å; S133-S137 WeakPolarHBondContact O-CB 3.4Å; S133-S137 PolarHBondContact O-N 3.42Å; S133-F191 WeakPolarHBondContact OG-CE1 3.25Å
134H86.4Confident79.6Confident54 Ų5439.6 Ų39.625%0.2522%0.218CC..Hα-helixtrans-61.6-47178.1-177.5-153.9000111.3S82 P130 I131 I132 C136 S137 F138S82-H134 PolarHBondContact O-CE1 3.42Å; S82-H134 PolarHBondContact OG-ND1 3.21Å; P130-H134 PolarHBondContact O-N 2.91Å; I131-H134 PolarHBondContact O-N 3.28Å; I132-H134 VanDerWaalsContact C-N 3.34Å; I132-H134 PolarHBondContact O-N 2.99Å; H134-C136 PolarHBondContact O-N 3.48Å; H134-S137 PolarHBondContact O-N 3.5Å; H134-F138 PolarHBondContact O-N 2.85Å
135I85.6Confident81.1Confident0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-61.9-44.9176.9-67.6168.9000111.1L78 L113 I131 I132 S137 F138 L139L78-I135 HydrophobicContact CB-CD1 4.32Å; L78-I135 HydrophobicContact CD2-CD1 3.58Å; L113-I135 HydrophobicContact CD1-CG2 3.54Å; L113-I135 HydrophobicContact CD2-CG2 4.34Å; I131-I135 HydrophobicContact CG2-CD1 4.04Å; I131-I135 WeakPolarHBondContact O-CG1 3.28Å; I131-I135 PolarHBondContact O-N 3.49Å; I132-I135 PolarHBondContact O-N 2.94Å; I135-S137 PolarHBondContact O-N 3.26Å; I135-F138 PolarHBondContact O-N 3.28Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CG 3.25Å; I135-L139 PolarHBondContact O-N 2.69Å
136C87.3Confident82.3Confident3 Ų341.4 Ų41.42%0.0222%0.218CC..Hα-helixtrans-62.8-41.4178.3-72.10000112.1I132 S133 H134 F138 L139 L140 L159 I162 F195I132-C136 VanDerWaalsContact O-CB 3.29Å; I132-C136 WeakPolarHBondContact O-CB 3.38Å; I132-C136 PolarHBondContact O-N 2.98Å; I132-C136 PolarHBondContact O-SG 3.26Å; S133-C136 PolarHBondContact O-N 2.97Å; H134-C136 PolarHBondContact O-N 3.48Å; C136-F138 VanDerWaalsContact C-N 3.3Å; C136-F138 PolarHBondContact O-N 3.41Å; C136-L139 PolarHBondContact O-N 3.45Å; C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.37Å; C136-L140 PolarHBondContact O-N 2.88Å; C136-L159 HydrophobicContact CB-CD2 4.16Å; C136-I162 WeakPolarHBondContact SG-CD1 3.32Å; C136-F195 HydrophobicContact CB-CE1 3.89Å; C136-F195 HydrophobicContact CB-CZ 3.79Å
137S86.6Confident83.1Confident65 Ų6544.2 Ų44.246%0.45523%0.228SC..Hα-helixtrans-60.7-41.7174.7-168.80000111.1S133 H134 I135 L140 D141S133-S137 WeakPolarHBondContact O-CB 3.4Å; S133-S137 PolarHBondContact O-N 3.42Å; H134-S137 PolarHBondContact O-N 3.5Å; I135-S137 PolarHBondContact O-N 3.26Å; S137-L140 PolarHBondContact O-N 3.48Å; S137-D141 PolarHBondContact O-N 2.93Å
138F87.8Confident83.9Confident3 Ų337.4 Ų37.41%0.01320%0.198CC..Hα-helixtrans-66.1-43.5175.9176.5-125.6000112.6L85 L97 W98 L101 F109 H134 I135 C136 L140 D141 L142L85-F138 HydrophobicContact CD1-CB 4.05Å; L85-F138 HydrophobicContact CD1-CD1 3.59Å; L85-F138 HydrophobicContact CD1-CE1 4.23Å; L85-F138 HydrophobicContact CD1-CG 3.94Å; L85-F138 HydrophobicContact CD2-CD1 4Å; L85-F138 HydrophobicContact CD2-CE1 3.78Å; L85-F138 HydrophobicContact CD2-CZ 4.11Å; L85-F138 HydrophobicContact CG-CD1 4.46Å; L97-F138 HydrophobicContact CB-CD2 4.2Å; L97-F138 HydrophobicContact CB-CE2 4.23Å; L97-F138 HydrophobicContact CD2-CB 3.94Å; L97-F138 HydrophobicContact CD2-CD1 4.41Å; L97-F138 HydrophobicContact CD2-CD2 3.12Å; L97-F138 HydrophobicContact CD2-CE2 3.59Å; L97-F138 HydrophobicContact CD2-CG 3.57Å; L97-F138 HydrophobicContact CD2-CZ 4.39Å; L97-F138 HydrophobicContact CG-CD2 3.63Å; L97-F138 HydrophobicContact CG-CE2 3.56Å; L97-F138 HydrophobicContact CG-CG 4.47Å; L97-F138 HydrophobicContact CG-CZ 4.38Å; W98-F138 HydrophobicContact CB-CE2 4.37Å; L101-F138 HydrophobicContact CD1-CZ 3.83Å; F109-F138 HydrophobicContact CD1-CD1 4.21Å; F109-F138 AromaticContact CD1-CE1 3.73Å; F109-F138 HydrophobicContact CD1-CE1 3.73Å; F109-F138 AromaticContact CE1-CD1 3.68Å; F109-F138 HydrophobicContact CE1-CD1 3.68Å; F109-F138 AromaticContact CE1-CE1 3.62Å; F109-F138 HydrophobicContact CE1-CE1 3.62Å; F109-F138 HydrophobicContact CG-CE1 4.35Å; F109-F138 HydrophobicContact CZ-CD1 4.21Å; F109-F138 HydrophobicContact CZ-CE1 4.16Å; H134-F138 PolarHBondContact O-N 2.85Å; I135-F138 PolarHBondContact O-N 3.28Å; C136-F138 VanDerWaalsContact C-N 3.3Å; C136-F138 PolarHBondContact O-N 3.41Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.01Å; F138-D141 PolarHBondContact O-N 3.5Å; F138-L142 HydrophobicContact CD1-CD1 4.1Å; F138-L142 HydrophobicContact CD2-CG 4.17Å; F138-L142 HydrophobicContact CE1-CD1 3.58Å; F138-L142 HydrophobicContact CE1-CG 4.22Å; F138-L142 HydrophobicContact CE2-CD1 4.06Å; F138-L142 HydrophobicContact CE2-CD2 3.89Å; F138-L142 HydrophobicContact CE2-CG 3.77Å; F138-L142 HydrophobicContact CZ-CD1 3.57Å; F138-L142 HydrophobicContact CZ-CD2 3.93Å; F138-L142 HydrophobicContact CZ-CG 3.81Å; F138-L142 WeakPolarHBondContact O-CG 3.43Å; F138-L142 PolarHBondContact O-N 2.95Å
139L89.4Confident84.6Confident0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-62-37.9175.8-68.7174.9000112T110 L113 I135 C136 L142 S143 T158 L159T110-L139 HydrophobicContact CG2-CD2 3.77Å; L113-L139 HydrophobicContact CD1-CD1 4.37Å; L113-L139 HydrophobicContact CD1-CD2 4.21Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.34Å; I135-L139 WeakPolarHBondContact O-CG 3.25Å; I135-L139 PolarHBondContact O-N 2.69Å; C136-L139 PolarHBondContact O-N 3.45Å; L139-L142 PolarHBondContact O-N 3.24Å; L139-S143 WeakPolarHBondContact O-CB 3.46Å; L139-S143 PolarHBondContact O-N 3.42Å; L139-S143 PolarHBondContact O-OG 3.15Å; L139-T158 HydrophobicContact CD1-CG2 3.78Å; L139-L159 HydrophobicContact CB-CD1 4.12Å; L139-L159 HydrophobicContact CB-CD2 3.91Å; L139-L159 HydrophobicContact CB-CG 3.89Å; L139-L159 HydrophobicContact CD1-CD2 3.87Å; L139-L159 HydrophobicContact CD1-CG 4.09Å
140L89.2Confident85.1Confident16 Ų1644.4 Ų44.48%0.08423%0.227CC..Hα-helixtrans-62.7-47.1172.8-78.1179.9000111.6C136 S137 F138 L142 S143 E144 L159 F195 F199C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.37Å; C136-L140 PolarHBondContact O-N 2.88Å; S137-L140 PolarHBondContact O-N 3.48Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.01Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.92Å; L140-S143 WeakPolarHBondContact CA-OG 3.27Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 3.47Å; L140-E144 PolarHBondContact O-N 2.87Å; L140-L159 HydrophobicContact CD2-CD1 3.73Å; L140-L159 HydrophobicContact CG-CD1 4.17Å; L140-F195 HydrophobicContact CD1-CD1 3.66Å; L140-F195 HydrophobicContact CD1-CE1 3.96Å; L140-F195 HydrophobicContact CD2-CD1 3.97Å; L140-F195 HydrophobicContact CD2-CE1 4.47Å; L140-F195 HydrophobicContact CG-CD1 3.99Å; L140-F195 HydrophobicContact CG-CE1 4.13Å; L140-F199 HydrophobicContact CD2-CE1 4.05Å
141D86.7Confident85.4Confident46 Ų4640.2 Ų40.225%0.24620%0.199CC..Hα-helixtrans-59.9-43.1176.3-85.7-11.7000112S137 F138 S143 E144 Y145S137-D141 PolarHBondContact O-N 2.93Å; F138-D141 PolarHBondContact O-N 3.5Å; D141-S143 VanDerWaalsContact C-N 3.31Å; D141-S143 PolarHBondContact O-N 3.34Å; D141-E144 PolarHBondContact O-N 2.92Å; D141-Y145 HydrophobicContact CB-CD2 4.31Å; D141-Y145 WeakPolarHBondContact O-CB 3.39Å; D141-Y145 VanDerWaalsContact O-CD2 3.3Å; D141-Y145 WeakPolarHBondContact O-CD2 3.4Å; D141-Y145 PolarHBondContact O-N 3.5Å
142L87.5Confident85.8Confident2 Ų239.1 Ų39.11%0.0119%0.194CC..Hα-helixtrans-61.3-41173.9-72.8179.7000111.6W98 C106 T110 F138 L139 L140 S146 V151 S155W98-L142 HydrophobicContact CB-CD2 3.65Å; C106-L142 HydrophobicContact CB-CD1 4.43Å; C106-L142 HydrophobicContact CB-CD2 4.24Å; T110-L142 HydrophobicContact CG2-CD1 3.84Å; F138-L142 HydrophobicContact CD1-CD1 4.1Å; F138-L142 HydrophobicContact CD2-CG 4.17Å; F138-L142 HydrophobicContact CE1-CD1 3.58Å; F138-L142 HydrophobicContact CE1-CG 4.22Å; F138-L142 HydrophobicContact CE2-CD1 4.06Å; F138-L142 HydrophobicContact CE2-CD2 3.89Å; F138-L142 HydrophobicContact CE2-CG 3.77Å; F138-L142 HydrophobicContact CZ-CD1 3.57Å; F138-L142 HydrophobicContact CZ-CD2 3.93Å; F138-L142 HydrophobicContact CZ-CG 3.81Å; F138-L142 WeakPolarHBondContact O-CG 3.43Å; F138-L142 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 3.24Å; L140-L142 VanDerWaalsContact C-N 3.34Å; L140-L142 PolarHBondContact O-N 2.92Å; L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.1Å; L142-S146 VanDerWaalsContact O-N 3.16Å; L142-V151 HydrophobicContact CB-CG1 4.22Å; L142-V151 HydrophobicContact CD1-CG1 4.35Å; L142-V151 HydrophobicContact CD2-CG1 4.17Å; L142-V151 HydrophobicContact CG-CG1 4.5Å; L142-S155 WeakPolarHBondContact CB-OG 3.5Å
143S87.7Confident86.2Confident4 Ų439.5 Ų39.53%0.02820%0.197CC..Hα-helixtrans-69.2-30.9179.271.50000113.8L139 L140 D141 I202L139-S143 WeakPolarHBondContact O-CB 3.46Å; L139-S143 PolarHBondContact O-N 3.42Å; L139-S143 PolarHBondContact O-OG 3.15Å; L140-S143 WeakPolarHBondContact CA-OG 3.27Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 3.47Å; D141-S143 VanDerWaalsContact C-N 3.31Å; D141-S143 PolarHBondContact O-N 3.34Å; S143-I202 VanDerWaalsContact OG-CD1 3.25Å; S143-I202 WeakPolarHBondContact OG-CD1 3.34Å
144E85.8Confident86.5Confident54 Ų5438.2 Ų38.225%0.25219%0.187SC..Hα-helixtrans-88.3-39.4-177.8-170.3175.7-165.200112.7L140 D141 R201 I202L140-E144 PolarHBondContact O-N 2.87Å; D141-E144 PolarHBondContact O-N 2.92Å; E144-R201 WeakPolarHBondContact OE1-CD 3.42Å; E144-R201 IonicContact OE1-NH1 3.63Å; E144-I202 HydrophobicContact CB-CD1 4.47Å; E144-I202 HydrophobicContact CB-CG1 4.32Å
145Y83.6Confident86.7Confident78 Ų7835.7 Ų35.731%0.30618%0.175SC..Hα-helixtrans-111.3-16.3-168.7-57.4-70.5000115.1W98 D141W98-Y145 HydrophobicContact CZ2-CG 4.29Å; W98-Y145 AromaticContact NE1-CD2 3.79Å; W98-Y145 AromaticContact NE1-CG 3.87Å; D141-Y145 HydrophobicContact CB-CD2 4.31Å; D141-Y145 WeakPolarHBondContact O-CB 3.39Å; D141-Y145 VanDerWaalsContact O-CD2 3.3Å; D141-Y145 WeakPolarHBondContact O-CD2 3.4Å; D141-Y145 PolarHBondContact O-N 3.5Å
146S83Confident87Confident23 Ų2335.7 Ų35.716%0.16118%0.175CC..  trans-66.3139.9178.7-175.80000111.2L142 N148 C152L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.1Å; L142-S146 VanDerWaalsContact O-N 3.16Å; S146-N148 PolarHBondContact OG-N 2.99Å; S146-C152 PolarHBondContact O-SG 3.34Å; S146-C152 VanDerWaalsContact O-SG 3.4Å
147K80.4Confident87Confident192 Ų19238.3 Ų38.384%0.83519%0.189SC*.SBendtrans-81.1-21.5174.8-66.5180-178.1172.80112
148N84.1Confident87.1Confident34 Ų3435.2 Ų35.218%0.18217%0.167CC..  trans-84.9120.3-176.5-168.5-41.7000111.1E103 S146 D150 V151 C152E103-N148 HydrophobicContact CB-CB 4.5Å; E103-N148 HydrophobicContact CG-CB 4.3Å; E103-N148 WeakPolarHBondContact OE2-CB 3.24Å; E103-N148 PolarHBondContact OE2-ND2 3.38Å; S146-N148 PolarHBondContact OG-N 2.99Å; N148-D150 VanDerWaalsContact C-N 3.28Å; N148-D150 PolarHBondContact O-N 3.43Å; N148-D150 PolarHBondContact OD1-N 3.45Å; N148-V151 HydrophobicContact CB-CB 4.09Å; N148-V151 HydrophobicContact CB-CG2 3.8Å; N148-V151 PolarHBondContact O-N 3.37Å; N148-C152 PolarHBondContact O-N 3.07Å; N148-C152 VanDerWaalsContact O-N 3.1Å; N148-C152 PolarHBondContact O-SG 2.95Å
149R85.8Confident87.1Confident107 Ų10735.1 Ų35.140%0.40417%0.167SC..Hα-helixtrans-57.8-41.2-179.7-174.1-171.171.4178-2.4112.6C152 C153 W210 S212 I213R149-C152 PolarHBondContact O-N 3.36Å; R149-C153 WeakPolarHBondContact O-CB 3.32Å; R149-C153 PolarHBondContact O-N 3.05Å; R149-C153 PolarHBondContact O-SG 3.09Å; R149-W210 HydrophobicContact CB-CG 4.39Å; R149-W210 HydrophobicContact CG-CB 4.09Å; R149-W210 HydrophobicContact CG-CG 3.94Å; R149-S212 WeakPolarHBondContact CD-OG 3.1Å; R149-I213 HydrophobicContact CG-CD1 4.25Å; R149-I213 HydrophobicContact CG-CG1 4.1Å
150D86.3Confident87Confident79 Ų7936 Ų3642%0.42217%0.173SC..Hα-helixtrans-73.7-36.2-173.8-58.7-27.1000110L107 N148 C153 N154L107-D150 HydrophobicContact CD2-CB 3.96Å; N148-D150 VanDerWaalsContact C-N 3.28Å; N148-D150 PolarHBondContact O-N 3.43Å; N148-D150 PolarHBondContact OD1-N 3.45Å; D150-C153 PolarHBondContact O-N 3.15Å; D150-N154 WeakPolarHBondContact O-CB 3.45Å; D150-N154 PolarHBondContact O-N 3.1Å
151V86.8Confident86.6Confident0 Ų036.9 Ų36.90%018%0.178CC..Hα-helixtrans-60.5-47.6170.9176.30000110.7C106 L107 L142 N148 N154 S155C106-V151 HydrophobicContact CB-CG1 3.89Å; C106-V151 HydrophobicContact CB-CG2 4.11Å; L107-V151 HydrophobicContact CD1-CG2 4.45Å; L107-V151 HydrophobicContact CD2-CB 4.31Å; L107-V151 HydrophobicContact CD2-CG2 3.66Å; L107-V151 HydrophobicContact CG-CG2 3.57Å; L142-V151 HydrophobicContact CB-CG1 4.22Å; L142-V151 HydrophobicContact CD1-CG1 4.35Å; L142-V151 HydrophobicContact CD2-CG1 4.17Å; L142-V151 HydrophobicContact CG-CG1 4.5Å; N148-V151 HydrophobicContact CB-CB 4.09Å; N148-V151 HydrophobicContact CB-CG2 3.8Å; N148-V151 PolarHBondContact O-N 3.37Å; V151-N154 PolarHBondContact O-N 3.32Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 PolarHBondContact O-OG 3.44Å
152C89.4Confident86.1Confident3 Ų335.7 Ų35.72%0.0217%0.172CC..Hα-helixtrans-61.8-50.8179.1-620000111.6S146 N148 R149 N154 S155 L156 I213S146-C152 PolarHBondContact O-SG 3.34Å; S146-C152 VanDerWaalsContact O-SG 3.4Å; N148-C152 PolarHBondContact O-N 3.07Å; N148-C152 VanDerWaalsContact O-N 3.1Å; N148-C152 PolarHBondContact O-SG 2.95Å; R149-C152 PolarHBondContact O-N 3.36Å; C152-N154 PolarHBondContact O-N 3.34Å; C152-S155 PolarHBondContact O-N 3.42Å; C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 3.18Å; C152-I213 HydrophobicContact CB-CD1 3.79Å; C152-I213 HydrophobicContact CB-CG1 3.9Å; C152-I213 HydrophobicContact CB-CG2 4.1Å
153C88.5Confident85.3Confident20 Ų2035.7 Ų35.714%0.13517%0.172CC..Hα-helixtrans-61.4-43.8179.5-73.20000111.4R149 D150 L156 N157R149-C153 WeakPolarHBondContact O-CB 3.32Å; R149-C153 PolarHBondContact O-N 3.05Å; R149-C153 PolarHBondContact O-SG 3.09Å; D150-C153 PolarHBondContact O-N 3.15Å; C153-L156 PolarHBondContact O-N 2.86Å; C153-N157 WeakPolarHBondContact O-CB 3.29Å; C153-N157 PolarHBondContact O-N 2.87Å; C153-N157 PolarHBondContact O-ND2 3.48Å
154N88.2Confident84.2Confident20 Ų2039.3 Ų39.311%0.10719%0.19CC..Hα-helixtrans-65.3-43.4179.2-15237.6000110.6T110 S111 K114 D150 V151 C152 L156 N157 T158T110-N154 WeakPolarHBondContact CB-ND2 3.49Å; T110-N154 PolarHBondContact OG1-ND2 3.4Å; S111-N154 PolarHBondContact N-ND2 2.97Å; S111-N154 VanDerWaalsContact N-ND2 3.18Å; S111-N154 PolarHBondContact OG-ND2 2.99Å; K114-N154 WeakPolarHBondContact CD-OD1 3.37Å; D150-N154 WeakPolarHBondContact O-CB 3.45Å; D150-N154 PolarHBondContact O-N 3.1Å; V151-N154 PolarHBondContact O-N 3.32Å; C152-N154 PolarHBondContact O-N 3.34Å; N154-L156 PolarHBondContact O-N 3.45Å; N154-N157 PolarHBondContact O-N 3.39Å; N154-T158 WeakPolarHBondContact O-CB 3.39Å; N154-T158 PolarHBondContact O-N 3.27Å; N154-T158 PolarHBondContact O-OG1 3.47Å
155S90.8Very high82.6Confident0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-58.3-45.7176.2-55.80000112.3T110 L142 V151 C152 T158 L159T110-S155 WeakPolarHBondContact CG2-OG 3.49Å; L142-S155 WeakPolarHBondContact CB-OG 3.5Å; V151-S155 VanDerWaalsContact O-CB 3.31Å; V151-S155 WeakPolarHBondContact O-CB 3.33Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 PolarHBondContact O-OG 3.44Å; C152-S155 PolarHBondContact O-N 3.42Å; S155-T158 PolarHBondContact O-N 3.01Å; S155-L159 WeakPolarHBondContact O-CG 3.47Å; S155-L159 PolarHBondContact O-N 3.27Å
156L92Very high80.8Confident0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-66.6-40.7177.7-69.7166.8000112.3C152 C153 N154 T158 L159 S160 F199 I202 I213 A216 A217 A220C152-L156 WeakPolarHBondContact O-CG 3.29Å; C152-L156 PolarHBondContact O-N 3.18Å; C153-L156 PolarHBondContact O-N 2.86Å; N154-L156 PolarHBondContact O-N 3.45Å; L156-T158 VanDerWaalsContact C-N 3.35Å; L156-L159 PolarHBondContact O-N 3.49Å; L156-S160 PolarHBondContact O-N 2.9Å; L156-F199 HydrophobicContact CD2-CD1 3.99Å; L156-F199 HydrophobicContact CD2-CE1 3.68Å; L156-I202 HydrophobicContact CD2-CD1 4.27Å; L156-I213 HydrophobicContact CD1-CG2 3.81Å; L156-I213 WeakPolarHBondContact CD1-O 3.37Å; L156-A216 HydrophobicContact CB-CB 3.84Å; L156-A216 HydrophobicContact CD1-CB 3.86Å; L156-A217 HydrophobicContact CD1-CB 4.01Å; L156-A217 HydrophobicContact CD2-CB 4.24Å; L156-A220 WeakPolarHBondContact O-CB 3.41Å
157N88.6Confident78.7Confident58 Ų5839.5 Ų39.531%0.3120%0.2SC..Hα-helixtrans-65.3-39.8175.5-70.5-29.8000111.4C153 N154 S160 L161C153-N157 WeakPolarHBondContact O-CB 3.29Å; C153-N157 PolarHBondContact O-N 2.87Å; C153-N157 PolarHBondContact O-ND2 3.48Å; N154-N157 PolarHBondContact O-N 3.39Å; N157-S160 WeakPolarHBondContact O-CB 3.28Å; N157-S160 PolarHBondContact O-N 3.5Å; N157-L161 WeakPolarHBondContact O-CG 3.3Å; N157-L161 PolarHBondContact O-N 3.36Å; N157-L161 VanDerWaalsContact O-N 3.13Å
158T88.1Confident76.7Confident0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-61.6-44.4173.9-58.40000110.8T110 L113 K114 F117 L139 N154 S155 L156 S160 L161 I162T110-T158 PolarHBondContact O-OG1 2.77Å; L113-T158 HydrophobicContact CB-CG2 3.68Å; K114-T158 WeakPolarHBondContact CB-OG1 3.38Å; F117-T158 HydrophobicContact CD2-CG2 3.63Å; F117-T158 HydrophobicContact CE2-CG2 3.86Å; L139-T158 HydrophobicContact CD1-CG2 3.78Å; N154-T158 WeakPolarHBondContact O-CB 3.39Å; N154-T158 PolarHBondContact O-N 3.27Å; N154-T158 PolarHBondContact O-OG1 3.47Å; S155-T158 PolarHBondContact O-N 3.01Å; L156-T158 VanDerWaalsContact C-N 3.35Å; T158-S160 VanDerWaalsContact C-N 3.29Å; T158-S160 PolarHBondContact O-N 2.8Å; T158-L161 WeakPolarHBondContact O-CB 3.46Å; T158-L161 PolarHBondContact O-N 2.96Å; T158-L161 VanDerWaalsContact O-N 3.12Å; T158-I162 PolarHBondContact O-N 3.16Å
159L88.6Confident74.5Confident1 Ų136.5 Ų36.51%0.00520%0.203CC..Hα-helixtrans-60.1-38.3173.6-73.3171.5000112.5C136 L139 L140 S155 L156 L161 I162 F195 F199C136-L159 HydrophobicContact CB-CD2 4.16Å; L139-L159 HydrophobicContact CB-CD1 4.12Å; L139-L159 HydrophobicContact CB-CD2 3.91Å; L139-L159 HydrophobicContact CB-CG 3.89Å; L139-L159 HydrophobicContact CD1-CD2 3.87Å; L139-L159 HydrophobicContact CD1-CG 4.09Å; L140-L159 HydrophobicContact CD2-CD1 3.73Å; L140-L159 HydrophobicContact CG-CD1 4.17Å; S155-L159 WeakPolarHBondContact O-CG 3.47Å; S155-L159 PolarHBondContact O-N 3.27Å; L156-L159 PolarHBondContact O-N 3.49Å; L159-L161 VanDerWaalsContact C-N 3.28Å; L159-L161 PolarHBondContact O-N 3Å; L159-I162 HydrophobicContact CD2-CD1 4.13Å; L159-I162 PolarHBondContact O-N 3.43Å; L159-F195 HydrophobicContact CD2-CE1 3.79Å; L159-F195 HydrophobicContact CD2-CZ 4.25Å; L159-F199 HydrophobicContact CD1-CE1 4.24Å; L159-F199 HydrophobicContact CD1-CZ 4.45Å
160S86.5Confident72.2Confident19 Ų1942.1 Ų42.113%0.13322%0.224CC..Hα-helixtrans-62.9-34175.3-173.70000112.8L156 N157 T158 I162 A163 S223L156-S160 PolarHBondContact O-N 2.9Å; N157-S160 WeakPolarHBondContact O-CB 3.28Å; N157-S160 PolarHBondContact O-N 3.5Å; T158-S160 VanDerWaalsContact C-N 3.29Å; T158-S160 PolarHBondContact O-N 2.8Å; S160-I162 VanDerWaalsContact C-N 3.33Å; S160-A163 PolarHBondContact O-N 3.49Å; S160-S223 VanDerWaalsContact OG-CB 3.29Å; S160-S223 WeakPolarHBondContact OG-CB 3.49Å; S160-S223 PolarHBondContact OG-OG 2.89Å
161L80.4Confident69.8Low35 Ų3548.4 Ų48.418%0.18325%0.251CS..Hα-helixtrans-71.5-28.2-180-70.2173.4000112.7K114 F117 N157 T158 L159 A163 L164K114-L161 HydrophobicContact CB-CD1 4.37Å; K114-L161 HydrophobicContact CG-CD1 3.45Å; K114-L161 VanDerWaalsContact CG-CD1 3.45Å; K114-L161 WeakPolarHBondContact O-CD1 3.45Å; F117-L161 HydrophobicContact CB-CB 3.98Å; N157-L161 WeakPolarHBondContact O-CG 3.3Å; N157-L161 PolarHBondContact O-N 3.36Å; N157-L161 VanDerWaalsContact O-N 3.13Å; T158-L161 WeakPolarHBondContact O-CB 3.46Å; T158-L161 PolarHBondContact O-N 2.96Å; T158-L161 VanDerWaalsContact O-N 3.12Å; L159-L161 VanDerWaalsContact C-N 3.28Å; L159-L161 PolarHBondContact O-N 3Å; L161-A163 PolarHBondContact O-N 3.17Å; L161-L164 HydrophobicContact CD2-CD1 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.2Å; L161-L164 PolarHBondContact O-N 3.16Å
162I76.2Confident67.3Low21 Ų2151.3 Ų51.311%0.10828%0.275CS..Hα-helixtrans-60.4-29.9174.1-57.5176.4000110.9F117 C136 T158 L159 S160 L188F117-I162 HydrophobicContact CD1-CG1 4.44Å; F117-I162 HydrophobicContact CD2-CD1 4.23Å; F117-I162 HydrophobicContact CD2-CG1 3.65Å; F117-I162 HydrophobicContact CE1-CG1 4.37Å; F117-I162 HydrophobicContact CE2-CD1 3.65Å; F117-I162 HydrophobicContact CE2-CG1 3.56Å; F117-I162 HydrophobicContact CG-CG1 4.12Å; F117-I162 HydrophobicContact CZ-CD1 3.97Å; F117-I162 HydrophobicContact CZ-CG1 3.95Å; C136-I162 WeakPolarHBondContact SG-CD1 3.32Å; T158-I162 PolarHBondContact O-N 3.16Å; L159-I162 HydrophobicContact CD2-CD1 4.13Å; L159-I162 PolarHBondContact O-N 3.43Å; S160-I162 VanDerWaalsContact C-N 3.33Å; I162-L188 HydrophobicContact CG2-CD2 4.23Å
163A71.8Confident65Low2 Ų257 Ų572%0.01731%0.305CS..THydrogen-bonded Turntrans-89.9-2.9178.800000114.2S160 L161 P165 L188 S223 I224S160-A163 PolarHBondContact O-N 3.49Å; L161-A163 PolarHBondContact O-N 3.17Å; A163-P165 WeakPolarHBondContact O-CD 3.26Å; A163-L188 HydrophobicContact CB-CD1 4.23Å; A163-S223 WeakPolarHBondContact CB-O 3.25Å; A163-I224 HydrophobicContact CB-CB 4.37Å; A163-I224 HydrophobicContact CB-CG1 3.77Å
164L64Low63Low79 Ų7958.9 Ų58.941%0.41433%0.327SS..  trans-62.7124.3-175.5-151.284.6000109.8L161 A168L161-L164 HydrophobicContact CD2-CD1 4.5Å; L161-L164 WeakPolarHBondContact O-CB 3.2Å; L161-L164 PolarHBondContact O-N 3.16Å; L164-A168 HydrophobicContact CD2-CB 3.79Å
165P50.9Low60.8Low51 Ų5165 Ų6533%0.33136%0.36SS..  trans-64.3139.7174.9-18.330.7000110.7A163 N167 A168A163-P165 WeakPolarHBondContact O-CD 3.26Å; P165-N167 PolarHBondContact O-N 3.31Å; P165-A168 PolarHBondContact O-N 3.01Å
166V46.6Very low58.5Low14 Ų1469.1 Ų69.19%0.08539%0.386CS..G310 helixtrans-45.1-17.7178.1-179.60000114.1M121 A168 L169 D177 L180M121-V166 HydrophobicContact CE-CB 4.39Å; M121-V166 HydrophobicContact CE-CG1 3.19Å; M121-V166 HydrophobicContact SD-CB 4.12Å; M121-V166 HydrophobicContact SD-CG1 3.48Å; M121-V166 WeakPolarHBondContact SD-CG1 3.3Å; M121-V166 VanDerWaalsContact SD-O 3.36Å; V166-A168 VanDerWaalsContact C-N 3.3Å; V166-A168 PolarHBondContact O-N 3.16Å; V166-L169 PolarHBondContact O-N 2.99Å; V166-D177 VanDerWaalsContact CB-OD1 3.32Å; V166-D177 WeakPolarHBondContact CB-OD1 3.39Å; V166-D177 WeakPolarHBondContact CG1-OD1 3.34Å; V166-L180 HydrophobicContact CG2-CB 4.35Å
167N38.1Very low56.5Low94 Ų9470.6 Ų70.650%0.50339%0.393SS..G310 helixtrans-66.9-17.9-178.4-57.624.4000115.6P165 L169 D177 K181P165-N167 PolarHBondContact O-N 3.31Å; N167-L169 PolarHBondContact O-N 3.27Å; N167-D177 PolarHBondContact OD1-OD2 2.97Å; N167-K181 VanDerWaalsContact OD1-CE 3.22Å; N167-K181 WeakPolarHBondContact OD1-CE 3.5Å; N167-K181 PolarHBondContact OD1-NZ 2.84Å
168A40.1Very low55Low76 Ų7671.9 Ų71.963%0.62840%0.4SS*.G310 helixtrans-67.6-13.6-179.400000113L164 P165 V166L164-A168 HydrophobicContact CD2-CB 3.79Å; P165-A168 PolarHBondContact O-N 3.01Å; V166-A168 VanDerWaalsContact C-N 3.3Å; V166-A168 PolarHBondContact O-N 3.16Å
169L37.9Very low53.5Low87 Ų8777.6 Ų77.646%0.45543%0.43SS..SBendtrans-129.3102.2176.2-81.2149.3000110.2M121 V166 N167M121-L169 HydrophobicContact SD-CB 4.24Å; V166-L169 PolarHBondContact O-N 2.99Å; N167-L169 PolarHBondContact O-N 3.27Å
170R36.9Very low52Low225 Ų22580 Ų8085%0.84944%0.443SS*.  trans81120.5165.1-84.1174.2162.1-160.9-4119A172R170-A172 PolarHBondContact O-N 3.22Å
171E35Very low50.8Low212 Ų21281.1 Ų81.199%0.99145%0.445SS*.SBendtrans-66.638.1165.9-60.9178.9143.100114.8
172A34.5Very low50Low60 Ų6081 Ų8150%0.49645%0.452SS..  trans-133.2108.4-175.200000112R170R170-A172 PolarHBondContact O-N 3.22Å
173N41.9Very low49.5Very low124 Ų12483.9 Ų83.966%0.66347%0.465SS*.  trans102.992.3164.9-49-24.4000115.2D175 T176N173-D175 PolarHBondContact O-N 3.4Å; N173-T176 PolarHBondContact O-OG1 3.19Å
174G46.6Very low49.3Very low58 Ų5884.9 Ų84.960%0.59847%0.47SS*.Hα-helixtrans-63.2-30-178.600000115.8
175D40.7Very low49.7Very low150 Ų15081.8 Ų81.880%0.80246%0.456SS*.Hα-helixtrans-85-28.5-171.3-71.3-17.3000114.4N173 D177N173-D175 PolarHBondContact O-N 3.4Å; D175-D177 VanDerWaalsContact C-N 3.32Å
176T44.1Very low50.8Low86 Ų8683.8 Ų83.853%0.52846%0.464SS..Hα-helixtrans-79.3-19.3179.345.70000112.9N173N173-T176 PolarHBondContact O-OG1 3.19Å
177D49.3Very low52.2Low30 Ų3083.7 Ų83.716%0.1646%0.464CS..Hα-helixtrans-74.1-38.8-173.3-159.132.8000111.7V166 N167 D175 L179 L180 K181V166-D177 VanDerWaalsContact CB-OD1 3.32Å; V166-D177 WeakPolarHBondContact CB-OD1 3.39Å; V166-D177 WeakPolarHBondContact CG1-OD1 3.34Å; N167-D177 PolarHBondContact OD1-OD2 2.97Å; D175-D177 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 3.4Å; D177-L180 PolarHBondContact O-N 3.49Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.38Å; D177-K181 WeakPolarHBondContact OD2-CE 3.28Å; D177-K181 IonicContact OD2-NZ 3.82Å; D177-K181 PolarHBondContact OD2-NZ 2.86Å
178D56.2Low54.1Low86 Ų8679.3 Ų79.346%0.4644%0.44SS..Hα-helixtrans-66.5-38.6-178.2-72.3-13.4000113G182D178-G182 PolarHBondContact O-N 3.31Å
179L56.2Low56Low119 Ų11977.4 Ų77.462%0.62342%0.418SS*.Hα-helixtrans-67-44.3178.9-159.693.9000111.3D177 G182 H183D177-L179 PolarHBondContact O-N 3.4Å; L179-G182 PolarHBondContact O-N 3.33Å; L179-H183 PolarHBondContact O-CD2 3.45Å; L179-H183 PolarHBondContact O-N 2.94Å
180L57.9Low57.9Low52 Ų5276.5 Ų76.527%0.27242%0.419SS..Hα-helixtrans-64-43.9178.9-75.8166.9000111.4T124 V166 D177 G182 H183 L184T124-L180 VanDerWaalsContact OG1-CD2 3.29Å; T124-L180 WeakPolarHBondContact OG1-CD2 3.19Å; V166-L180 HydrophobicContact CG2-CB 4.35Å; D177-L180 PolarHBondContact O-N 3.49Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 3.4Å; L180-H183 PolarHBondContact O-N 3.38Å; L180-L184 PolarHBondContact O-N 3.11Å
181K60.8Low60.2Low43 Ų4367.1 Ų67.119%0.18738%0.384CS..Hα-helixtrans-57.6-44.8172.8-72.8172.5-173.3163.50111.4N167 D177 H183 L184 A185 E232N167-K181 VanDerWaalsContact OD1-CE 3.22Å; N167-K181 WeakPolarHBondContact OD1-CE 3.5Å; N167-K181 PolarHBondContact OD1-NZ 2.84Å; D177-K181 VanDerWaalsContact O-CG 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.31Å; D177-K181 PolarHBondContact O-N 3.38Å; D177-K181 WeakPolarHBondContact OD2-CE 3.28Å; D177-K181 IonicContact OD2-NZ 3.82Å; D177-K181 PolarHBondContact OD2-NZ 2.86Å; K181-H183 PolarHBondContact O-N 3.1Å; K181-L184 PolarHBondContact O-N 3.18Å; K181-A185 WeakPolarHBondContact O-CB 3.35Å; K181-A185 PolarHBondContact O-N 3.05Å; K181-E232 IonicContact NZ-OE1 2.64Å; K181-E232 PolarHBondContact NZ-OE1 3.37Å
182G63.9Low62.7Low32 Ų3257 Ų5733%0.3334%0.337SS..Hα-helixtrans-61.2-42.9178.300000113.5D178 L179 L180 N186D178-G182 PolarHBondContact O-N 3.31Å; L179-G182 PolarHBondContact O-N 3.33Å; L180-G182 VanDerWaalsContact C-N 3.32Å; L180-G182 PolarHBondContact O-N 3.4Å; G182-N186 WeakPolarHBondContact O-CB 3.34Å; G182-N186 VanDerWaalsContact O-CG 3.31Å; G182-N186 PolarHBondContact O-N 3.25Å; G182-N186 PolarHBondContact O-ND2 3.04Å
183H66.6Low65Low82 Ų8256.2 Ų56.238%0.3833%0.327SS..Hα-helixtrans-67.3-41.4175.9-75.2-64.7000113.2L179 L180 K181 N186 S187L179-H183 PolarHBondContact O-CD2 3.45Å; L179-H183 PolarHBondContact O-N 2.94Å; L180-H183 PolarHBondContact O-N 3.38Å; K181-H183 PolarHBondContact O-N 3.1Å; H183-N186 PolarHBondContact O-N 3.03Å; H183-S187 WeakPolarHBondContact O-CB 3.26Å; H183-S187 PolarHBondContact O-N 3.29Å; H183-S187 PolarHBondContact O-OG 2.87Å
184L67.2Low67.1Low23 Ų2352.2 Ų52.212%0.1232%0.315CS..Hα-helixtrans-61-49.6174.4-177.662.4000111.1T124 L180 K181 N186 S187 L188T124-L184 HydrophobicContact CG2-CB 3.76Å; T124-L184 HydrophobicContact CG2-CD1 4.2Å; L180-L184 PolarHBondContact O-N 3.11Å; K181-L184 PolarHBondContact O-N 3.18Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.72Å; L184-S187 WeakPolarHBondContact O-CB 3Å; L184-S187 PolarHBondContact O-N 3.3Å; L184-S187 VanDerWaalsContact O-N 3.15Å; L184-L188 HydrophobicContact CD1-CD1 4.16Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 3.98Å; L184-L188 HydrophobicContact CG-CG 4.48Å; L184-L188 WeakPolarHBondContact O-CG 3.2Å; L184-L188 PolarHBondContact O-N 3.1Å
185A72.3Confident69.2Low14 Ų1449.7 Ų49.712%0.11629%0.288CS..Hα-helixtrans-58.2-45.5178.900000111.2K181 S187 L188 K189 S227K181-A185 WeakPolarHBondContact O-CB 3.35Å; K181-A185 PolarHBondContact O-N 3.05Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 3.27Å; A185-L188 PolarHBondContact O-N 3.41Å; A185-K189 VanDerWaalsContact O-CG 3.29Å; A185-K189 WeakPolarHBondContact O-CG 3.45Å; A185-K189 PolarHBondContact O-N 3.27Å; A185-S227 WeakPolarHBondContact CB-O 3.42Å
186N74.7Confident71.6Confident92 Ų9242.6 Ų42.649%0.49225%0.249SC..Hα-helixtrans-62.6-37.8177.1-77.1-18.8000113.2G182 H183 L184 K189G182-N186 WeakPolarHBondContact O-CB 3.34Å; G182-N186 VanDerWaalsContact O-CG 3.31Å; G182-N186 PolarHBondContact O-N 3.25Å; G182-N186 PolarHBondContact O-ND2 3.04Å; H183-N186 PolarHBondContact O-N 3.03Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.72Å; N186-K189 PolarHBondContact OD1-NZ 3.43Å
187S74.3Confident73.9Confident12 Ų1240.9 Ų40.98%0.08424%0.236CC..Hα-helixtrans-65.2-47.6175.2-62.50000111.1H183 L184 A185 K189 S190H183-S187 WeakPolarHBondContact O-CB 3.26Å; H183-S187 PolarHBondContact O-N 3.29Å; H183-S187 PolarHBondContact O-OG 2.87Å; L184-S187 WeakPolarHBondContact O-CB 3Å; L184-S187 PolarHBondContact O-N 3.3Å; L184-S187 VanDerWaalsContact O-N 3.15Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 3.27Å; S187-K189 VanDerWaalsContact C-N 3.33Å; S187-K189 PolarHBondContact O-N 2.99Å; S187-S190 PolarHBondContact O-N 3.43Å; S187-S190 PolarHBondContact O-OG 3.48Å
188L78.9Confident75.8Confident3 Ų340.3 Ų40.32%0.01623%0.234CC..Hα-helixtrans-66.7-29.1179.7-70.6175.3000113.5I162 A163 L184 A185 S190 F191 L192 F195 S227 V228I162-L188 HydrophobicContact CG2-CD2 4.23Å; A163-L188 HydrophobicContact CB-CD1 4.23Å; L184-L188 HydrophobicContact CD1-CD1 4.16Å; L184-L188 HydrophobicContact CD1-CG 4.3Å; L184-L188 HydrophobicContact CG-CD1 3.98Å; L184-L188 HydrophobicContact CG-CG 4.48Å; L184-L188 WeakPolarHBondContact O-CG 3.2Å; L184-L188 PolarHBondContact O-N 3.1Å; A185-L188 PolarHBondContact O-N 3.41Å; L188-S190 PolarHBondContact O-N 3.3Å; L188-F191 PolarHBondContact O-N 3.05Å; L188-F191 VanDerWaalsContact O-N 3.07Å; L188-L192 PolarHBondContact O-N 2.63Å; L188-F195 HydrophobicContact CD2-CE2 4.22Å; L188-S227 WeakPolarHBondContact CD1-OG 3.33Å; L188-V228 HydrophobicContact CB-CG2 3.55Å; L188-V228 HydrophobicContact CD1-CG2 4.49Å
189K80.2Confident77.6Confident36 Ų3636.2 Ų36.216%0.15721%0.212CC..Hα-helixtrans-53.8-40.3173.2-77.2175-168.5164.80112A185 N186 S187 F191 V228 W255A185-K189 VanDerWaalsContact O-CG 3.29Å; A185-K189 WeakPolarHBondContact O-CG 3.45Å; A185-K189 PolarHBondContact O-N 3.27Å; N186-K189 PolarHBondContact OD1-NZ 3.43Å; S187-K189 VanDerWaalsContact C-N 3.33Å; S187-K189 PolarHBondContact O-N 2.99Å; K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 2.64Å; K189-V228 HydrophobicContact CG-CG1 3.81Å; K189-W255 HydrophobicContact CB-CH2 3.79Å; K189-W255 HydrophobicContact CB-CZ2 3.63Å; K189-W255 HydrophobicContact CD-CH2 4.06Å; K189-W255 HydrophobicContact CD-CZ3 4.06Å; K189-W255 HydrophobicContact CG-CH2 3.52Å; K189-W255 HydrophobicContact CG-CZ2 3.93Å; K189-W255 HydrophobicContact CG-CZ3 4.04Å; K189-W255 VanDerWaalsContact O-CZ2 3.27Å; K189-W255 WeakPolarHBondContact O-CZ2 3.34Å
190S78.6Confident79.3Confident68 Ų6832.9 Ų32.948%0.47619%0.191SC..Hα-helixtrans-67.1-30.1-179.772.40000113S187 L188S187-S190 PolarHBondContact O-N 3.43Å; S187-S190 PolarHBondContact O-OG 3.48Å; L188-S190 PolarHBondContact O-N 3.3Å
191F84Confident80.8Confident28 Ų2836 Ų3612%0.12320%0.2CC..Hα-helixtrans-93.8-19.1-177.5-54.2-42000113.9L129 I132 S133 L188 K189 G194 F195L129-F191 HydrophobicContact CD1-CE2 3.55Å; L129-F191 HydrophobicContact CD1-CZ 3.4Å; L129-F191 HydrophobicContact CG-CZ 3.94Å; I132-F191 HydrophobicContact CG2-CE2 4.25Å; S133-F191 WeakPolarHBondContact OG-CE1 3.25Å; L188-F191 PolarHBondContact O-N 3.05Å; L188-F191 VanDerWaalsContact O-N 3.07Å; K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 2.64Å; F191-G194 PolarHBondContact O-N 3.01Å; F191-G194 VanDerWaalsContact O-N 3.11Å; F191-F195 HydrophobicContact CB-CD2 3.57Å; F191-F195 HydrophobicContact CB-CE2 3.2Å; F191-F195 HydrophobicContact CB-CG 4.46Å; F191-F195 HydrophobicContact CB-CZ 3.79Å; F191-F195 HydrophobicContact CD2-CE2 4.2Å; F191-F195 HydrophobicContact CD2-CZ 4.47Å; F191-F195 HydrophobicContact CG-CE2 4.08Å; F191-F195 HydrophobicContact CG-CZ 4.37Å; F191-F195 WeakPolarHBondContact O-CD2 3.23Å; F191-F195 PolarHBondContact O-N 3.05Å
192L88.1Confident82.1Confident0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-54.3-43.1-171.5178.565.3000115.1L188 G194 F195 S196 I224 L225 V228 F229 W255 T259 I263L188-L192 PolarHBondContact O-N 2.63Å; L192-G194 VanDerWaalsContact C-N 3.35Å; L192-G194 PolarHBondContact O-N 2.66Å; L192-F195 PolarHBondContact O-N 3.49Å; L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-N 3.06Å; L192-S196 PolarHBondContact O-OG 3.33Å; L192-I224 HydrophobicContact CD1-CG2 3.94Å; L192-L225 HydrophobicContact CD1-CD2 4.16Å; L192-V228 HydrophobicContact CD2-CB 4.49Å; L192-V228 HydrophobicContact CD2-CG1 3.99Å; L192-F229 HydrophobicContact CD2-CE2 3.61Å; L192-F229 HydrophobicContact CD2-CZ 3.65Å; L192-W255 HydrophobicContact CD2-CH2 4.49Å; L192-T259 HydrophobicContact CD2-CG2 3.95Å; L192-I263 HydrophobicContact CD2-CD1 3.76Å; L192-I263 HydrophobicContact CG-CD1 4.09Å
193P83.3Confident83.3Confident43 Ų4332.8 Ų32.828%0.27918%0.177SC..Hα-helixtrans-62.1-41.5177.8-2435000112.7Q197P193-Q197 WeakPolarHBondContact O-CB 3.44Å; P193-Q197 PolarHBondContact O-N 3.17Å
194G84.4Confident84.1Confident40 Ų4030.1 Ų30.141%0.41217%0.166SC..Hα-helixtrans-65.7-48.2176.800000111.7F191 L192 S196 Q197 S198F191-G194 PolarHBondContact O-N 3.01Å; F191-G194 VanDerWaalsContact O-N 3.11Å; L192-G194 VanDerWaalsContact C-N 3.35Å; L192-G194 PolarHBondContact O-N 2.66Å; G194-S196 PolarHBondContact O-N 3.49Å; G194-Q197 PolarHBondContact O-N 2.86Å; G194-S198 PolarHBondContact O-N 2.78Å; G194-S198 PolarHBondContact O-OG 2.89Å
195F90.8Very high84.8Confident5 Ų530.7 Ų30.72%0.02217%0.174CC..Hα-helixtrans-55.6-51.3174.8-72.3-40.3000112.2C136 L140 L159 L188 F191 L192 Q197 S198 F199 I224C136-F195 HydrophobicContact CB-CE1 3.89Å; C136-F195 HydrophobicContact CB-CZ 3.79Å; L140-F195 HydrophobicContact CD1-CD1 3.66Å; L140-F195 HydrophobicContact CD1-CE1 3.96Å; L140-F195 HydrophobicContact CD2-CD1 3.97Å; L140-F195 HydrophobicContact CD2-CE1 4.47Å; L140-F195 HydrophobicContact CG-CD1 3.99Å; L140-F195 HydrophobicContact CG-CE1 4.13Å; L159-F195 HydrophobicContact CD2-CE1 3.79Å; L159-F195 HydrophobicContact CD2-CZ 4.25Å; L188-F195 HydrophobicContact CD2-CE2 4.22Å; F191-F195 HydrophobicContact CB-CD2 3.57Å; F191-F195 HydrophobicContact CB-CE2 3.2Å; F191-F195 HydrophobicContact CB-CG 4.46Å; F191-F195 HydrophobicContact CB-CZ 3.79Å; F191-F195 HydrophobicContact CD2-CE2 4.2Å; F191-F195 HydrophobicContact CD2-CZ 4.47Å; F191-F195 HydrophobicContact CG-CE2 4.08Å; F191-F195 HydrophobicContact CG-CZ 4.37Å; F191-F195 WeakPolarHBondContact O-CD2 3.23Å; F191-F195 PolarHBondContact O-N 3.05Å; L192-F195 PolarHBondContact O-N 3.49Å; F195-Q197 VanDerWaalsContact C-N 3.31Å; F195-Q197 PolarHBondContact O-N 2.88Å; F195-S198 PolarHBondContact O-N 3.31Å; F195-F199 HydrophobicContact CB-CD2 4.28Å; F195-F199 HydrophobicContact CB-CE2 3.74Å; F195-F199 HydrophobicContact CB-CZ 4.25Å; F195-F199 HydrophobicContact CD1-CZ 4.36Å; F195-F199 HydrophobicContact CG-CE2 4.41Å; F195-F199 WeakPolarHBondContact O-CD2 3.33Å; F195-F199 WeakPolarHBondContact O-CG 3.14Å; F195-F199 PolarHBondContact O-N 3.02Å; F195-I224 HydrophobicContact CB-CD1 4.47Å; F195-I224 HydrophobicContact CD1-CD1 4.43Å; F195-I224 HydrophobicContact CD2-CD1 3.88Å; F195-I224 HydrophobicContact CD2-CG2 4.11Å; F195-I224 HydrophobicContact CE2-CD1 4.14Å; F195-I224 HydrophobicContact CG-CD1 4.05Å
196S91.4Very high84.5Confident0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-61.9-39.8-177.8-57.60000111.9L192 G194 Y200 W221L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-N 3.06Å; L192-S196 PolarHBondContact O-OG 3.33Å; G194-S196 PolarHBondContact O-N 3.49Å; S196-Y200 VanDerWaalsContact O-CB 3.29Å; S196-Y200 WeakPolarHBondContact O-CB 2.96Å; S196-Y200 PolarHBondContact O-N 3.3Å; S196-W221 PolarHBondContact OG-NE1 3.1Å
197Q92Very high83.5Confident51 Ų5139 Ų3924%0.23821%0.212CC..Hα-helixtrans-65-43.5177.6-177.960.94700112.2P193 G194 F195 R201P193-Q197 WeakPolarHBondContact O-CB 3.44Å; P193-Q197 PolarHBondContact O-N 3.17Å; G194-Q197 PolarHBondContact O-N 2.86Å; F195-Q197 VanDerWaalsContact C-N 3.31Å; F195-Q197 PolarHBondContact O-N 2.88Å; Q197-R201 WeakPolarHBondContact O-CG 3.48Å; Q197-R201 PolarHBondContact O-N 2.92Å; Q197-R201 VanDerWaalsContact O-N 3.17Å
198S90.8Very high82.5Confident17 Ų1747.5 Ų47.512%0.11925%0.247CC..Hα-helixtrans-69.4-44.6178.6-65.60000111.8G194 F195 Y200 R201 I202G194-S198 PolarHBondContact O-N 2.78Å; G194-S198 PolarHBondContact O-OG 2.89Å; F195-S198 PolarHBondContact O-N 3.31Å; S198-Y200 VanDerWaalsContact C-N 3.33Å; S198-Y200 PolarHBondContact O-N 3.02Å; S198-R201 PolarHBondContact O-N 2.77Å; S198-R201 VanDerWaalsContact O-N 3.16Å; S198-I202 VanDerWaalsContact O-CG1 3.29Å; S198-I202 WeakPolarHBondContact O-CG1 3.44Å; S198-I202 PolarHBondContact O-N 3.05Å
199F93.4Very high81.6Confident0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-60.6-43.3176-60.8-35.3000111.8L140 L156 L159 F195 R201 I202 I203 A217 A220 W221 I224L140-F199 HydrophobicContact CD2-CE1 4.05Å; L156-F199 HydrophobicContact CD2-CD1 3.99Å; L156-F199 HydrophobicContact CD2-CE1 3.68Å; L159-F199 HydrophobicContact CD1-CE1 4.24Å; L159-F199 HydrophobicContact CD1-CZ 4.45Å; F195-F199 HydrophobicContact CB-CD2 4.28Å; F195-F199 HydrophobicContact CB-CE2 3.74Å; F195-F199 HydrophobicContact CB-CZ 4.25Å; F195-F199 HydrophobicContact CD1-CZ 4.36Å; F195-F199 HydrophobicContact CG-CE2 4.41Å; F195-F199 WeakPolarHBondContact O-CD2 3.33Å; F195-F199 WeakPolarHBondContact O-CG 3.14Å; F195-F199 PolarHBondContact O-N 3.02Å; F199-R201 VanDerWaalsContact C-N 3.35Å; F199-R201 PolarHBondContact O-N 2.93Å; F199-I202 PolarHBondContact O-N 3.36Å; F199-I203 HydrophobicContact CB-CD1 4.45Å; F199-I203 WeakPolarHBondContact O-CB 3.27Å; F199-I203 WeakPolarHBondContact O-CD1 3.23Å; F199-I203 WeakPolarHBondContact O-CG1 3.17Å; F199-I203 PolarHBondContact O-N 2.98Å; F199-A217 HydrophobicContact CD1-CB 4.46Å; F199-A220 HydrophobicContact CE1-CB 4.14Å; F199-A220 HydrophobicContact CZ-CB 3.97Å; F199-W221 HydrophobicContact CB-CB 4.38Å; F199-W221 HydrophobicContact CB-CD2 4.19Å; F199-W221 HydrophobicContact CB-CE3 4.12Å; F199-W221 HydrophobicContact CB-CG 4.34Å; F199-W221 HydrophobicContact CD2-CB 3.56Å; F199-W221 AromaticContact CD2-CD1 3.81Å; F199-W221 HydrophobicContact CD2-CD2 4.24Å; F199-W221 AromaticContact CD2-CG 3.62Å; F199-W221 HydrophobicContact CD2-CG 3.62Å; F199-W221 HydrophobicContact CE2-CB 4.08Å; F199-W221 HydrophobicContact CE2-CG 4.37Å; F199-W221 HydrophobicContact CG-CB 4.16Å; F199-W221 HydrophobicContact CG-CG 4.37Å; F199-I224 HydrophobicContact CE2-CD1 3.74Å; F199-I224 HydrophobicContact CZ-CD1 3.75Å
200Y91.6Very high81.1Confident49 Ų4954.6 Ų54.619%0.19228%0.277CS..Hα-helixtrans-53.9-48.6172.8160.9-107.6000112.3S196 S198 I203 T204 L266 K269 T270S196-Y200 VanDerWaalsContact O-CB 3.29Å; S196-Y200 WeakPolarHBondContact O-CB 2.96Å; S196-Y200 PolarHBondContact O-N 3.3Å; S198-Y200 VanDerWaalsContact C-N 3.33Å; S198-Y200 PolarHBondContact O-N 3.02Å; Y200-I203 PolarHBondContact O-N 3.25Å; Y200-T204 HydrophobicContact CD2-CG2 3.66Å; Y200-T204 HydrophobicContact CE2-CG2 3.43Å; Y200-T204 VanDerWaalsContact CE2-CG2 3.43Å; Y200-T204 WeakPolarHBondContact O-CB 3.37Å; Y200-T204 WeakPolarHBondContact O-CG2 3.36Å; Y200-T204 PolarHBondContact O-N 2.89Å; Y200-T204 PolarHBondContact O-OG1 3.38Å; Y200-L266 HydrophobicContact CD1-CD2 3.65Å; Y200-L266 HydrophobicContact CD2-CD2 4.3Å; Y200-L266 HydrophobicContact CE1-CD2 4.17Å; Y200-L266 HydrophobicContact CG-CD2 3.72Å; Y200-K269 HydrophobicContact CD2-CB 4.46Å; Y200-K269 HydrophobicContact CE2-CB 3.6Å; Y200-K269 HydrophobicContact CE2-CD 4.47Å; Y200-T270 WeakPolarHBondContact CD2-OG1 3.42Å
201R89.7Confident81.1Confident119 Ų11953.3 Ų53.345%0.44927%0.268SS..Hα-helixtrans-63.4-43.9179.5-73.2179.6-178.8179.64.8112.2E144 Q197 S198 F199 I203 T204 A205E144-R201 WeakPolarHBondContact OE1-CD 3.42Å; E144-R201 IonicContact OE1-NH1 3.63Å; Q197-R201 WeakPolarHBondContact O-CG 3.48Å; Q197-R201 PolarHBondContact O-N 2.92Å; Q197-R201 VanDerWaalsContact O-N 3.17Å; S198-R201 PolarHBondContact O-N 2.77Å; S198-R201 VanDerWaalsContact O-N 3.16Å; F199-R201 VanDerWaalsContact C-N 3.35Å; F199-R201 PolarHBondContact O-N 2.93Å; R201-I203 VanDerWaalsContact C-N 3.34Å; R201-I203 PolarHBondContact O-N 3.46Å; R201-T204 PolarHBondContact O-N 2.8Å; R201-A205 WeakPolarHBondContact O-CB 3.22Å; R201-A205 PolarHBondContact O-N 2.98Å
202I88.7Confident81.1Confident7 Ų753.9 Ų53.94%0.03628%0.275CS..Hα-helixtrans-62.2-43.6178.7-67.4164.7000110.7S143 E144 L156 S198 F199 I213 A217S143-I202 VanDerWaalsContact OG-CD1 3.25Å; S143-I202 WeakPolarHBondContact OG-CD1 3.34Å; E144-I202 HydrophobicContact CB-CD1 4.47Å; E144-I202 HydrophobicContact CB-CG1 4.32Å; L156-I202 HydrophobicContact CD2-CD1 4.27Å; S198-I202 VanDerWaalsContact O-CG1 3.29Å; S198-I202 WeakPolarHBondContact O-CG1 3.44Å; S198-I202 PolarHBondContact O-N 3.05Å; F199-I202 PolarHBondContact O-N 3.36Å; I202-I213 HydrophobicContact CG2-CG2 3.73Å; I202-A217 HydrophobicContact CG2-CB 3.96Å
203I87.7Confident81Confident0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-68.3-46.2-179.5-65.4161.1000110.5F199 Y200 R201 A205 R214 A217 L218 W221 T270 V274 Q278F199-I203 HydrophobicContact CB-CD1 4.45Å; F199-I203 WeakPolarHBondContact O-CB 3.27Å; F199-I203 WeakPolarHBondContact O-CD1 3.23Å; F199-I203 WeakPolarHBondContact O-CG1 3.17Å; F199-I203 PolarHBondContact O-N 2.98Å; Y200-I203 PolarHBondContact O-N 3.25Å; R201-I203 VanDerWaalsContact C-N 3.34Å; R201-I203 PolarHBondContact O-N 3.46Å; I203-A205 PolarHBondContact O-N 2.75Å; I203-R214 PolarHBondContact O-NE 3.3Å; I203-A217 HydrophobicContact CD1-CB 4.36Å; I203-A217 HydrophobicContact CG1-CB 3.96Å; I203-L218 HydrophobicContact CD1-CD2 3.67Å; I203-L218 HydrophobicContact CD1-CG 3.89Å; I203-L218 HydrophobicContact CG1-CG 4.32Å; I203-W221 HydrophobicContact CD1-CE3 3.82Å; I203-W221 HydrophobicContact CD1-CZ3 4.03Å; I203-T270 HydrophobicContact CB-CG2 4.35Å; I203-T270 HydrophobicContact CD1-CG2 4.3Å; I203-T270 HydrophobicContact CG2-CG2 3.7Å; I203-V274 HydrophobicContact CG2-CG2 3.84Å; I203-Q278 PolarHBondContact O-NE2 3.45Å
204T85.2Confident81.2Confident26 Ų2653.3 Ų53.316%0.1627%0.268CS..Hα-helixtrans-84.5-3.8-17359.70000115.2Y200 R201 N206 S273Y200-T204 HydrophobicContact CD2-CG2 3.66Å; Y200-T204 HydrophobicContact CE2-CG2 3.43Å; Y200-T204 VanDerWaalsContact CE2-CG2 3.43Å; Y200-T204 WeakPolarHBondContact O-CB 3.37Å; Y200-T204 WeakPolarHBondContact O-CG2 3.36Å; Y200-T204 PolarHBondContact O-N 2.89Å; Y200-T204 PolarHBondContact O-OG1 3.38Å; R201-T204 PolarHBondContact O-N 2.8Å; T204-N206 PolarHBondContact O-N 3.09Å; T204-S273 WeakPolarHBondContact CG2-OG 3.18Å
205A80.8Confident81.4Confident35 Ų3553 Ų5329%0.28926%0.258SS..  trans-59.2135-178.900000113.9R201 I203 H207 V209 R214R201-A205 WeakPolarHBondContact O-CB 3.22Å; R201-A205 PolarHBondContact O-N 2.98Å; I203-A205 PolarHBondContact O-N 2.75Å; A205-H207 PolarHBondContact O-N 3.3Å; A205-V209 HydrophobicContact CB-CG2 3.72Å; A205-R214 PolarHBondContact O-NH2 2.99Å
206N65.1Low81.4Confident134 Ų13453 Ų5372%0.71726%0.259SS*.  trans-69.5114.4-174.7-78.8-24.8000112.8T204 K208T204-N206 PolarHBondContact O-N 3.09Å; N206-K208 PolarHBondContact O-N 2.87Å; N206-K208 VanDerWaalsContact O-N 3.16Å
207H53.8Low81.4Confident147 Ų14753 Ų5368%0.68126%0.259SS*.SBendtrans71.6-12.8154-68.2-82.2000123.1A205 L281A205-H207 PolarHBondContact O-N 3.3Å; H207-L281 VanDerWaalsContact CE1-CD1 3.44Å; H207-L281 WeakPolarHBondContact CE1-CD1 3.15Å
208K54.8Low81.4Confident189 Ų18950.6 Ų50.682%0.82225%0.248SC*.  trans-128.85.8179.5-71.2-173.6-179.8179.10116.4N206 W210N206-K208 PolarHBondContact O-N 2.87Å; N206-K208 VanDerWaalsContact O-N 3.16Å; K208-W210 PolarHBondContact O-N 2.92Å
209V60.3Low81.5Confident37 Ų3752.4 Ų52.422%0.22426%0.257CS..SBendtrans-79116.8171.8-176.40000108.2A205 S211 I213 R214A205-V209 HydrophobicContact CB-CG2 3.72Å; V209-S211 PolarHBondContact O-N 2.74Å; V209-I213 HydrophobicContact CG1-CB 3.68Å; V209-I213 HydrophobicContact CG1-CD1 4.15Å; V209-I213 HydrophobicContact CG1-CG1 4.48Å; V209-I213 HydrophobicContact CG1-CG2 3.83Å; V209-R214 HydrophobicContact CB-CG 4.49Å; V209-R214 HydrophobicContact CG1-CG 3.88Å
210W68.1Low81.3Confident151 Ų15152.4 Ų52.457%0.57226%0.257SS*.  trans-50.4134.2172.8-53.690.5000109.6R149 K208 S212 I213R149-W210 HydrophobicContact CB-CG 4.39Å; R149-W210 HydrophobicContact CG-CB 4.09Å; R149-W210 HydrophobicContact CG-CG 3.94Å; K208-W210 PolarHBondContact O-N 2.92Å; W210-S212 PolarHBondContact O-N 3.16Å; W210-I213 HydrophobicContact CB-CD1 4.33Å; W210-I213 HydrophobicContact CB-CG1 4.38Å; W210-I213 PolarHBondContact O-N 2.88Å
211S79.2Confident81.5Confident41 Ų4150.1 Ų50.129%0.28725%0.248SC..Hα-helixtrans-52.7-29.2-18053.10000112.5V209 I213 R214 V215 R285V209-S211 PolarHBondContact O-N 2.74Å; S211-I213 PolarHBondContact O-N 3.44Å; S211-R214 PolarHBondContact O-N 3.39Å; S211-V215 VanDerWaalsContact O-CG2 3.25Å; S211-V215 WeakPolarHBondContact O-CG2 3.46Å; S211-V215 PolarHBondContact O-N 3.05Å; S211-R285 PolarHBondContact OG-O 3.07Å
212S83.6Confident81.5Confident41 Ų4144.6 Ų44.629%0.28723%0.228SC..Hα-helixtrans-60.1-39.617462.80000114.5R149 W210 V215 A216R149-S212 WeakPolarHBondContact CD-OG 3.1Å; W210-S212 PolarHBondContact O-N 3.16Å; S212-V215 PolarHBondContact O-N 2.89Å; S212-A216 WeakPolarHBondContact O-CB 3.45Å; S212-A216 PolarHBondContact O-N 2.78Å
213I86.9Confident81.4Confident11 Ų1146 Ų466%0.05624%0.237CC..Hα-helixtrans-69.1-41.5179.8-62171.4000109.2R149 C152 L156 I202 V209 W210 S211 A216 A217R149-I213 HydrophobicContact CG-CD1 4.25Å; R149-I213 HydrophobicContact CG-CG1 4.1Å; C152-I213 HydrophobicContact CB-CD1 3.79Å; C152-I213 HydrophobicContact CB-CG1 3.9Å; C152-I213 HydrophobicContact CB-CG2 4.1Å; L156-I213 HydrophobicContact CD1-CG2 3.81Å; L156-I213 WeakPolarHBondContact CD1-O 3.37Å; I202-I213 HydrophobicContact CG2-CG2 3.73Å; V209-I213 HydrophobicContact CG1-CB 3.68Å; V209-I213 HydrophobicContact CG1-CD1 4.15Å; V209-I213 HydrophobicContact CG1-CG1 4.48Å; V209-I213 HydrophobicContact CG1-CG2 3.83Å; W210-I213 HydrophobicContact CB-CD1 4.33Å; W210-I213 HydrophobicContact CB-CG1 4.38Å; W210-I213 PolarHBondContact O-N 2.88Å; S211-I213 PolarHBondContact O-N 3.44Å; I213-A216 PolarHBondContact O-N 3.5Å; I213-A217 WeakPolarHBondContact O-CB 3.15Å; I213-A217 PolarHBondContact O-N 2.8Å
214R87.5Confident81.4Confident19 Ų1946 Ų467%0.07224%0.238CC..Hα-helixtrans-64.1-41.2176.1-62.1-173.7-179149.70.6111.9I203 A205 V209 S211 A217 L218 L289I203-R214 PolarHBondContact O-NE 3.3Å; A205-R214 PolarHBondContact O-NH2 2.99Å; V209-R214 HydrophobicContact CB-CG 4.49Å; V209-R214 HydrophobicContact CG1-CG 3.88Å; S211-R214 PolarHBondContact O-N 3.39Å; R214-A217 PolarHBondContact O-N 3.42Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.48Å; R214-L289 HydrophobicContact CB-CD1 3.71Å
215V89Confident81.5Confident33 Ų3344.8 Ų44.820%0.223%0.23CC..Hα-helixtrans-58.6-49.5172.8166.90000110.7S211 S212 A217 L218 N219 G288 L289 A292S211-V215 VanDerWaalsContact O-CG2 3.25Å; S211-V215 WeakPolarHBondContact O-CG2 3.46Å; S211-V215 PolarHBondContact O-N 3.05Å; S212-V215 PolarHBondContact O-N 2.89Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 3.27Å; V215-L218 PolarHBondContact O-N 2.86Å; V215-N219 WeakPolarHBondContact O-CB 3.46Å; V215-N219 VanDerWaalsContact O-CG 3.23Å; V215-N219 PolarHBondContact O-N 2.84Å; V215-N219 PolarHBondContact O-ND2 2.7Å; V215-G288 VanDerWaalsContact CG2-C 3.44Å; V215-G288 WeakPolarHBondContact CG2-O 3.4Å; V215-L289 HydrophobicContact CG2-CB 4.35Å; V215-A292 HydrophobicContact CB-CB 4.16Å; V215-A292 HydrophobicContact CG1-CB 3.89Å; V215-A292 HydrophobicContact CG2-CB 3.91Å
216A89.2Confident81.7Confident6 Ų643.9 Ų43.95%0.0522%0.221CC..Hα-helixtrans-61-38.6177.500000111.9L156 S212 I213 N219 A220L156-A216 HydrophobicContact CB-CB 3.84Å; L156-A216 HydrophobicContact CD1-CB 3.86Å; S212-A216 WeakPolarHBondContact O-CB 3.45Å; S212-A216 PolarHBondContact O-N 2.78Å; I213-A216 PolarHBondContact O-N 3.5Å; A216-N219 PolarHBondContact O-N 2.96Å; A216-A220 WeakPolarHBondContact O-CB 3.27Å; A216-A220 PolarHBondContact O-N 3.06Å
217A92.3Very high82.4Confident0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-67-43.8177.700000112.4L156 F199 I202 I203 I213 R214 V215 N219 A220 W221L156-A217 HydrophobicContact CD1-CB 4.01Å; L156-A217 HydrophobicContact CD2-CB 4.24Å; F199-A217 HydrophobicContact CD1-CB 4.46Å; I202-A217 HydrophobicContact CG2-CB 3.96Å; I203-A217 HydrophobicContact CD1-CB 4.36Å; I203-A217 HydrophobicContact CG1-CB 3.96Å; I213-A217 WeakPolarHBondContact O-CB 3.15Å; I213-A217 PolarHBondContact O-N 2.8Å; R214-A217 PolarHBondContact O-N 3.42Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 3.27Å; A217-N219 VanDerWaalsContact C-N 3.33Å; A217-N219 PolarHBondContact O-N 2.89Å; A217-A220 PolarHBondContact O-N 3.23Å; A217-W221 VanDerWaalsContact O-CB 3.3Å; A217-W221 WeakPolarHBondContact O-CB 3.25Å; A217-W221 PolarHBondContact O-N 3.43Å
218L92.7Very high83.7Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-62.5-40.3174.9-75.1165.2000111.8I203 R214 V215 S222 L289 A292 F293 W296I203-L218 HydrophobicContact CD1-CD2 3.67Å; I203-L218 HydrophobicContact CD1-CG 3.89Å; I203-L218 HydrophobicContact CG1-CG 4.32Å; R214-L218 WeakPolarHBondContact O-CG 3.4Å; R214-L218 PolarHBondContact O-N 3.48Å; V215-L218 PolarHBondContact O-N 2.86Å; L218-S222 WeakPolarHBondContact O-CB 3.45Å; L218-S222 PolarHBondContact O-N 3.49Å; L218-S222 PolarHBondContact O-OG 3.42Å; L218-L289 HydrophobicContact CD1-CD1 3.76Å; L218-A292 HydrophobicContact CB-CB 4.37Å; L218-A292 HydrophobicContact CD1-CB 4.16Å; L218-F293 HydrophobicContact CD1-CB 4.03Å; L218-F293 HydrophobicContact CD2-CD2 4.33Å; L218-W296 HydrophobicContact CB-CB 4.28Å; L218-W296 HydrophobicContact CD2-CB 3.91Å; L218-W296 HydrophobicContact CD2-CD2 3.69Å; L218-W296 HydrophobicContact CD2-CE3 3.95Å; L218-W296 HydrophobicContact CD2-CG 3.67Å
219N91.3Very high84.8Confident56 Ų5622.8 Ų22.830%0.29912%0.124SC..Hα-helixtrans-67-46.2176.7-69.3-18.6000111.6V215 A216 A217 W221 S222 S223V215-N219 WeakPolarHBondContact O-CB 3.46Å; V215-N219 VanDerWaalsContact O-CG 3.23Å; V215-N219 PolarHBondContact O-N 2.84Å; V215-N219 PolarHBondContact O-ND2 2.7Å; A216-N219 PolarHBondContact O-N 2.96Å; A217-N219 VanDerWaalsContact C-N 3.33Å; A217-N219 PolarHBondContact O-N 2.89Å; N219-W221 VanDerWaalsContact C-N 3.32Å; N219-W221 PolarHBondContact O-N 3.06Å; N219-S222 WeakPolarHBondContact O-CB 3.28Å; N219-S222 PolarHBondContact O-N 3.09Å; N219-S223 PolarHBondContact O-N 3.46Å; N219-S223 PolarHBondContact O-OG 3.27Å; N219-S223 VanDerWaalsContact O-OG 3.12Å
220A90.8Very high85.4Confident0 Ų025.7 Ų25.70%014%0.135CC..Hα-helixtrans-60.7-42.9176.100000111.6L156 F199 A216 A217 S222 S223 I224L156-A220 WeakPolarHBondContact O-CB 3.41Å; F199-A220 HydrophobicContact CE1-CB 4.14Å; F199-A220 HydrophobicContact CZ-CB 3.97Å; A216-A220 WeakPolarHBondContact O-CB 3.27Å; A216-A220 PolarHBondContact O-N 3.06Å; A217-A220 PolarHBondContact O-N 3.23Å; A220-S222 VanDerWaalsContact C-N 3.34Å; A220-S222 PolarHBondContact O-N 3.3Å; A220-S223 PolarHBondContact O-N 3.47Å; A220-I224 WeakPolarHBondContact O-CG1 3.34Å; A220-I224 PolarHBondContact O-N 3.28Å; A220-I224 VanDerWaalsContact O-N 3.09Å
221W94Very high84.7Confident0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-62.8-42.9176.1-162.55.9000111.4S196 F199 I203 A217 N219 S223 I224 L225 L266 V267 T270 W296S196-W221 PolarHBondContact OG-NE1 3.1Å; F199-W221 HydrophobicContact CB-CB 4.38Å; F199-W221 HydrophobicContact CB-CD2 4.19Å; F199-W221 HydrophobicContact CB-CE3 4.12Å; F199-W221 HydrophobicContact CB-CG 4.34Å; F199-W221 HydrophobicContact CD2-CB 3.56Å; F199-W221 AromaticContact CD2-CD1 3.81Å; F199-W221 HydrophobicContact CD2-CD2 4.24Å; F199-W221 AromaticContact CD2-CG 3.62Å; F199-W221 HydrophobicContact CD2-CG 3.62Å; F199-W221 HydrophobicContact CE2-CB 4.08Å; F199-W221 HydrophobicContact CE2-CG 4.37Å; F199-W221 HydrophobicContact CG-CB 4.16Å; F199-W221 HydrophobicContact CG-CG 4.37Å; I203-W221 HydrophobicContact CD1-CE3 3.82Å; I203-W221 HydrophobicContact CD1-CZ3 4.03Å; A217-W221 VanDerWaalsContact O-CB 3.3Å; A217-W221 WeakPolarHBondContact O-CB 3.25Å; A217-W221 PolarHBondContact O-N 3.43Å; N219-W221 VanDerWaalsContact C-N 3.32Å; N219-W221 PolarHBondContact O-N 3.06Å; W221-S223 PolarHBondContact O-N 3.34Å; W221-I224 PolarHBondContact O-N 2.85Å; W221-L225 VanDerWaalsContact CD1-CD1 3.47Å; W221-L225 HydrophobicContact CD2-CD1 4.43Å; W221-L225 HydrophobicContact CG-CD1 4.02Å; W221-L225 HydrophobicContact CG-CG 4.5Å; W221-L225 WeakPolarHBondContact O-CB 3.37Å; W221-L225 WeakPolarHBondContact O-CD1 3.42Å; W221-L225 WeakPolarHBondContact O-CG 3.46Å; W221-L225 PolarHBondContact O-N 3.47Å; W221-L266 HydrophobicContact CH2-CB 4.41Å; W221-V267 HydrophobicContact CH2-CG2 4.27Å; W221-V267 HydrophobicContact CZ2-CG2 4.3Å; W221-T270 HydrophobicContact CZ3-CG2 4.28Å; W221-W296 AromaticContact CD2-CE2 3.89Å; W221-W296 AromaticContact CD2-CZ2 3.92Å; W221-W296 HydrophobicContact CD2-CZ2 3.92Å; W221-W296 AromaticContact CD2-NE1 3.38Å; W221-W296 AromaticContact CE3-CE2 3.53Å; W221-W296 HydrophobicContact CE3-CH2 4.43Å; W221-W296 AromaticContact CE3-CZ2 3.43Å; W221-W296 HydrophobicContact CE3-CZ2 3.43Å; W221-W296 VanDerWaalsContact CE3-CZ2 3.43Å; W221-W296 AromaticContact CE3-NE1 3.41Å; W221-W296 AromaticContact CG-NE1 3.58Å; W221-W296 HydrophobicContact CH2-CH2 4.13Å; W221-W296 AromaticContact CH2-CZ2 3.49Å; W221-W296 HydrophobicContact CH2-CZ2 3.49Å; W221-W296 VanDerWaalsContact CH2-CZ2 3.49Å; W221-W296 AromaticContact CZ2-CZ2 3.95Å; W221-W296 HydrophobicContact CZ2-CZ2 3.95Å; W221-W296 AromaticContact CZ3-CE2 3.82Å; W221-W296 AromaticContact CZ3-CH2 3.88Å; W221-W296 HydrophobicContact CZ3-CH2 3.88Å; W221-W296 AromaticContact CZ3-CZ2 3.2Å; W221-W296 HydrophobicContact CZ3-CZ2 3.2Å
222S91.2Very high83Confident4 Ų426.1 Ų26.13%0.02814%0.142CC..Hα-helixtrans-56.7-50.9175.5-59.70000111.5L218 N219 A220 I224 L225 V226 W296L218-S222 WeakPolarHBondContact O-CB 3.45Å; L218-S222 PolarHBondContact O-N 3.49Å; L218-S222 PolarHBondContact O-OG 3.42Å; N219-S222 WeakPolarHBondContact O-CB 3.28Å; N219-S222 PolarHBondContact O-N 3.09Å; A220-S222 VanDerWaalsContact C-N 3.34Å; A220-S222 PolarHBondContact O-N 3.3Å; S222-I224 PolarHBondContact O-N 3.21Å; S222-L225 PolarHBondContact O-N 2.95Å; S222-V226 VanDerWaalsContact O-CG2 3.25Å; S222-V226 WeakPolarHBondContact O-CG2 3.34Å; S222-V226 PolarHBondContact O-N 3.47Å; S222-W296 WeakPolarHBondContact OG-CA 3.39Å
223S86.4Confident80.6Confident35 Ų3530.4 Ų30.425%0.24517%0.166CC..Hα-helixtrans-60.7-45.5-178.5-57.90000112.2S160 A163 N219 A220 W221 V226 S227S160-S223 VanDerWaalsContact OG-CB 3.29Å; S160-S223 WeakPolarHBondContact OG-CB 3.49Å; S160-S223 PolarHBondContact OG-OG 2.89Å; A163-S223 WeakPolarHBondContact CB-O 3.25Å; N219-S223 PolarHBondContact O-N 3.46Å; N219-S223 PolarHBondContact O-OG 3.27Å; N219-S223 VanDerWaalsContact O-OG 3.12Å; A220-S223 PolarHBondContact O-N 3.47Å; W221-S223 PolarHBondContact O-N 3.34Å; S223-V226 PolarHBondContact O-N 2.54Å; S223-S227 PolarHBondContact O-N 3.08Å
224I87.1Confident77.7Confident1 Ų134.9 Ų34.91%0.00520%0.199CC..Hα-helixtrans-65.8-42.3179.3-68168.8000111A163 L192 F195 F199 A220 W221 S222 V226 S227 V228A163-I224 HydrophobicContact CB-CB 4.37Å; A163-I224 HydrophobicContact CB-CG1 3.77Å; L192-I224 HydrophobicContact CD1-CG2 3.94Å; F195-I224 HydrophobicContact CB-CD1 4.47Å; F195-I224 HydrophobicContact CD1-CD1 4.43Å; F195-I224 HydrophobicContact CD2-CD1 3.88Å; F195-I224 HydrophobicContact CD2-CG2 4.11Å; F195-I224 HydrophobicContact CE2-CD1 4.14Å; F195-I224 HydrophobicContact CG-CD1 4.05Å; F199-I224 HydrophobicContact CE2-CD1 3.74Å; F199-I224 HydrophobicContact CZ-CD1 3.75Å; A220-I224 WeakPolarHBondContact O-CG1 3.34Å; A220-I224 PolarHBondContact O-N 3.28Å; A220-I224 VanDerWaalsContact O-N 3.09Å; W221-I224 PolarHBondContact O-N 2.85Å; S222-I224 PolarHBondContact O-N 3.21Å; I224-V226 VanDerWaalsContact C-N 3.34Å; I224-V226 PolarHBondContact O-N 3.28Å; I224-S227 PolarHBondContact O-N 3.35Å; I224-V228 WeakPolarHBondContact O-CG2 3.28Å; I224-V228 PolarHBondContact O-N 3.33Å; I224-V228 VanDerWaalsContact O-N 3.09Å
225L88.1Confident74.8Confident0 Ų038.7 Ų38.70%023%0.228CC..Hα-helixtrans-63.1-39.9176.9-74.1169.2000112.3L192 W221 S222 F229 L300L192-L225 HydrophobicContact CD1-CD2 4.16Å; W221-L225 VanDerWaalsContact CD1-CD1 3.47Å; W221-L225 HydrophobicContact CD2-CD1 4.43Å; W221-L225 HydrophobicContact CG-CD1 4.02Å; W221-L225 HydrophobicContact CG-CG 4.5Å; W221-L225 WeakPolarHBondContact O-CB 3.37Å; W221-L225 WeakPolarHBondContact O-CD1 3.42Å; W221-L225 WeakPolarHBondContact O-CG 3.46Å; W221-L225 PolarHBondContact O-N 3.47Å; S222-L225 PolarHBondContact O-N 2.95Å; L225-F229 HydrophobicContact CD2-CD2 3.93Å; L225-F229 HydrophobicContact CD2-CE2 3.74Å; L225-F229 WeakPolarHBondContact O-CB 3.32Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.3Å; L225-L300 HydrophobicContact CD1-CD2 3.68Å; L225-L300 HydrophobicContact CD1-CG 4.27Å
226V84.2Confident71.8Confident16 Ų1644.2 Ų44.210%0.09726%0.257CS..Hα-helixtrans-62.7-50176171.80000110.2S222 S223 I224 V228 F229 Q230 V299 K303S222-V226 VanDerWaalsContact O-CG2 3.25Å; S222-V226 WeakPolarHBondContact O-CG2 3.34Å; S222-V226 PolarHBondContact O-N 3.47Å; S223-V226 PolarHBondContact O-N 2.54Å; I224-V226 VanDerWaalsContact C-N 3.34Å; I224-V226 PolarHBondContact O-N 3.28Å; V226-V228 VanDerWaalsContact C-N 3.28Å; V226-V228 PolarHBondContact O-N 3.2Å; V226-F229 PolarHBondContact O-N 2.86Å; V226-Q230 HydrophobicContact CG1-CB 4.17Å; V226-Q230 WeakPolarHBondContact O-CB 3.47Å; V226-Q230 PolarHBondContact O-N 3.13Å; V226-V299 HydrophobicContact CG2-CG1 3.36Å; V226-K303 HydrophobicContact CG2-CB 4.03Å; V226-K303 HydrophobicContact CG2-CD 3.84Å
227S79.5Confident68.8Low19 Ų1953.9 Ų53.913%0.13330%0.297CS..Hα-helixtrans-61-35.2-178.7-167.30000113.2A185 L188 S223 I224A185-S227 WeakPolarHBondContact CB-O 3.42Å; L188-S227 WeakPolarHBondContact CD1-OG 3.33Å; S223-S227 PolarHBondContact O-N 3.08Å; I224-S227 PolarHBondContact O-N 3.35Å
228V80.5Confident65.7Low6 Ų660.9 Ų60.94%0.03634%0.335CS..Hα-helixtrans-81.4-36.7180176.90000113.2L188 K189 L192 I224 V226L188-V228 HydrophobicContact CB-CG2 3.55Å; L188-V228 HydrophobicContact CD1-CG2 4.49Å; K189-V228 HydrophobicContact CG-CG1 3.81Å; L192-V228 HydrophobicContact CD2-CB 4.49Å; L192-V228 HydrophobicContact CD2-CG1 3.99Å; I224-V228 WeakPolarHBondContact O-CG2 3.28Å; I224-V228 PolarHBondContact O-N 3.33Å; I224-V228 VanDerWaalsContact O-N 3.09Å; V226-V228 VanDerWaalsContact C-N 3.28Å; V226-V228 PolarHBondContact O-N 3.2Å
229F79.4Confident62.6Low3 Ų366.9 Ų66.91%0.01337%0.371CS..Hα-helixtrans-113.8-8.4-167.4-66-62.5000115.5L192 L225 V226 N231 F256 I263 C304 S306 L307L192-F229 HydrophobicContact CD2-CE2 3.61Å; L192-F229 HydrophobicContact CD2-CZ 3.65Å; L225-F229 HydrophobicContact CD2-CD2 3.93Å; L225-F229 HydrophobicContact CD2-CE2 3.74Å; L225-F229 WeakPolarHBondContact O-CB 3.32Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.3Å; V226-F229 PolarHBondContact O-N 2.86Å; F229-N231 PolarHBondContact O-N 2.9Å; F229-F256 HydrophobicContact CD1-CE2 4.25Å; F229-F256 HydrophobicContact CE1-CD2 4.36Å; F229-F256 AromaticContact CE1-CE2 3.75Å; F229-F256 HydrophobicContact CE1-CE2 3.75Å; F229-I263 HydrophobicContact CE2-CD1 4.09Å; F229-I263 HydrophobicContact CZ-CD1 4.13Å; F229-C304 HydrophobicContact CB-CB 3.99Å; F229-S306 VanDerWaalsContact CA-OG 3.3Å; F229-S306 WeakPolarHBondContact CA-OG 3.48Å; F229-S306 VanDerWaalsContact CB-OG 3.25Å; F229-S306 WeakPolarHBondContact CB-OG 3.27Å; F229-S306 VanDerWaalsContact CD1-OG 3.31Å; F229-S306 WeakPolarHBondContact CD1-OG 3.47Å; F229-S306 PolarHBondContact O-OG 3.46Å; F229-L307 HydrophobicContact CB-CB 4.48Å; F229-L307 HydrophobicContact CD1-CB 4.1Å; F229-L307 HydrophobicContact CD2-CB 4.14Å; F229-L307 HydrophobicContact CD2-CD2 4.23Å; F229-L307 HydrophobicContact CE1-CB 4.34Å; F229-L307 HydrophobicContact CE1-CD1 4.24Å; F229-L307 HydrophobicContact CE2-CB 4.37Å; F229-L307 HydrophobicContact CE2-CD1 4.18Å; F229-L307 HydrophobicContact CE2-CD2 4.07Å; F229-L307 HydrophobicContact CE2-CG 4.44Å; F229-L307 HydrophobicContact CG-CB 4Å; F229-L307 HydrophobicContact CZ-CB 4.47Å; F229-L307 HydrophobicContact CZ-CD1 3.89Å
230Q71.4Confident59.4Low97 Ų9771.6 Ų71.645%0.45339%0.392SS..  trans-72.5112.3175.9-174.8177.8-2.100109.8V226V226-Q230 HydrophobicContact CG1-CB 4.17Å; V226-Q230 WeakPolarHBondContact O-CB 3.47Å; V226-Q230 PolarHBondContact O-N 3.13Å
231N54.7Low56.2Low90 Ų9080.2 Ų80.248%0.48143%0.429SS..  trans-100.5125.1170.1-69.5-7.5000108.6F229 T233F229-N231 PolarHBondContact O-N 2.9Å; N231-T233 PolarHBondContact O-N 3.17Å
232E42.9Very low53Low111 Ų11186.4 Ų86.452%0.51947%0.467SS..  trans-75.5106.7171.2-68.6-166.2-162.700109.7K181 S234K181-E232 IonicContact NZ-OE1 2.64Å; K181-E232 PolarHBondContact NZ-OE1 3.37Å; E232-S234 PolarHBondContact O-N 2.82Å
233T33.4Very low49.8Very low131 Ų13196.5 Ų96.580%0.80451%0.51SS*.  trans-88.135.617153.20000112.1N231N231-T233 PolarHBondContact O-N 3.17Å
234S25.5Very low47Very low106 Ų10698.7 Ų98.774%0.74153%0.526SS*.  trans-142.460-178.5-75.20000113E232E232-S234 PolarHBondContact O-N 2.82Å
235S27.8Very low44.1Very low99 Ų99105.5 Ų105.569%0.69257%0.568SS**SBendtrans-120.2108.415162.40000110
236N25.3Very low41.4Very low148 Ų148111.4 Ų111.479%0.79160%0.604SS**  trans33.7117.9152.8-81.5-31.6000120.9D238N236-D238 PolarHBondContact O-N 3.31Å
237K26.3Very low38.6Very low209 Ų209120.1 Ų120.191%0.90964%0.644SS**SBendtrans-59.710.3165-81.4-176.8172177.70116.3
238D27.1Very low36.2Very low147 Ų147123.8 Ų123.879%0.78667%0.668SS**  trans-139.263.1-172.5-77.2-48.2000113.3N236N236-D238 PolarHBondContact O-N 3.31Å
239V27.4Very low34.1Very low126 Ų126130.7 Ų130.776%0.76470%0.7SS**  trans-137.797.7151.6-172.60000109.6
240Q24.2Very low32.6Very low156 Ų156133.9 Ų133.973%0.72972%0.717SS**  trans-61.2137.8163.8-70.1-177.38.100110.6
241K24.7Very low31.4Very low181 Ų181132.6 Ų132.679%0.78772%0.719SS**  trans66.582.7147.6-63.2164.9179.4165.80117.5
242T26Very low31.1Very low130 Ų130133.4 Ų133.480%0.79873%0.727SS**  trans-140.2118.7140.239.50000110.3S244T242-S244 PolarHBondContact O-N 2.86Å
243K24.3Very low32Very low215 Ų215130.3 Ų130.394%0.93572%0.718SS**  trans-71.6108.3172.6-69.3169.2171.9177.50108.7
244S27.5Very low33.7Very low82 Ų82131.9 Ų131.957%0.57372%0.716SS**  trans-170.578157.451.50000113.1T242 T246T242-S244 PolarHBondContact O-N 2.86Å; S244-T246 PolarHBondContact O-N 2.78Å; S244-T246 PolarHBondContact O-OG1 2.83Å
245T25Very low36.2Very low143 Ų143130.4 Ų130.488%0.87769%0.694SS**SBend44.530.8126.448.20000122.5
246T31.5Very low38.5Very low124 Ų124126 Ų12676%0.76166%0.662SS**  trans-134.91.3170.844.10000116.9S244 C248S244-T246 PolarHBondContact O-N 2.78Å; S244-T246 PolarHBondContact O-OG1 2.83Å; T246-C248 PolarHBondContact O-N 2.99Å
247E25.6Very low40.9Very low200 Ų200123.7 Ų123.794%0.93565%0.645SS**SBendtrans-86.510.5-179.5-75.3-173156.500115.6
248C29.8Very low43.5Very low95 Ų95117.5 Ų117.564%0.64263%0.625SS**SBendtrans-150.650.6-173.4-154.20000115.6T246T246-C248 PolarHBondContact O-N 2.99Å
249E37.2Very low46.1Very low152 Ų152110.8 Ų110.871%0.7159%0.589SS**SBendtrans-116.1-8167.7-73-171.8170.300114.1S251 T252E249-S251 VanDerWaalsContact C-N 3.34Å; E249-S251 PolarHBondContact O-N 2.95Å; E249-T252 PolarHBondContact O-OG1 3.4Å
250L47.8Very low48.6Very low69 Ų69105.1 Ų105.136%0.36155%0.554SS.*THydrogen-bonded Turntrans-66.5-34.3-175.3-133.8105.3000113
251S44.8Very low51.4Low71 Ų71101.2 Ų101.250%0.49754%0.544SS..THydrogen-bonded Turntrans-93.8-9.9-175.748.70000114.2E249E249-S251 VanDerWaalsContact C-N 3.34Å; E249-S251 PolarHBondContact O-N 2.95Å
252T48.9Very low54.4Low106 Ų10695.8 Ų95.865%0.6552%0.522SS*.THydrogen-bonded Turntrans-105.4-3.9-177.947.80000113.8E249E249-T252 PolarHBondContact O-OG1 3.4Å
253S62.6Low57.3Low47 Ų4789.6 Ų89.633%0.32948%0.484SS..  trans-78.5131.8-177.3-175.20000113.2W255 F256 K257S253-W255 PolarHBondContact O-N 3.2Å; S253-W255 WeakPolarHBondContact OG-CB 3.45Å; S253-W255 PolarHBondContact OG-N 3.29Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 3.3Å; S253-K257 PolarHBondContact O-N 3.28Å
254E68.4Low60.3Low164 Ų16480.3 Ų80.377%0.76645%0.445SS*.Hα-helixtrans-54.9-31.3169-168.3173.6-168.200112.2F256 T258E254-F256 VanDerWaalsContact C-N 3.35Å; E254-F256 PolarHBondContact O-N 3Å; E254-T258 WeakPolarHBondContact O-CG2 3.41Å; E254-T258 PolarHBondContact O-N 3.13Å; E254-T258 PolarHBondContact O-OG1 2.98Å
255W78.7Confident63.2Low74 Ų7478.8 Ų78.828%0.2844%0.435SS..Hα-helixtrans-61.7-40.8173.417486.8000112.2K189 L192 S253 T258 T259K189-W255 HydrophobicContact CB-CH2 3.79Å; K189-W255 HydrophobicContact CB-CZ2 3.63Å; K189-W255 HydrophobicContact CD-CH2 4.06Å; K189-W255 HydrophobicContact CD-CZ3 4.06Å; K189-W255 HydrophobicContact CG-CH2 3.52Å; K189-W255 HydrophobicContact CG-CZ2 3.93Å; K189-W255 HydrophobicContact CG-CZ3 4.04Å; K189-W255 VanDerWaalsContact O-CZ2 3.27Å; K189-W255 WeakPolarHBondContact O-CZ2 3.34Å; L192-W255 HydrophobicContact CD2-CH2 4.49Å; S253-W255 PolarHBondContact O-N 3.2Å; S253-W255 WeakPolarHBondContact OG-CB 3.45Å; S253-W255 PolarHBondContact OG-N 3.29Å; W255-T258 WeakPolarHBondContact CA-OG1 3.45Å; W255-T258 PolarHBondContact O-OG1 3.39Å; W255-T259 VanDerWaalsContact CE2-OG1 3.29Å; W255-T259 HydrophobicContact CH2-CG2 4.17Å; W255-T259 HydrophobicContact CZ2-CG2 3.92Å; W255-T259 PolarHBondContact NE1-OG1 3.04Å; W255-T259 WeakPolarHBondContact O-CB 3.2Å; W255-T259 PolarHBondContact O-N 2.88Å; W255-T259 PolarHBondContact O-OG1 2.96Å
256F75.7Confident66.4Low6 Ų672.2 Ų72.23%0.02639%0.394CS..Hα-helixtrans-66-47-177.3-176.7-88.9000110.4F229 S253 E254 T258 T259 Q260 S306 I310F229-F256 HydrophobicContact CD1-CE2 4.25Å; F229-F256 HydrophobicContact CE1-CD2 4.36Å; F229-F256 AromaticContact CE1-CE2 3.75Å; F229-F256 HydrophobicContact CE1-CE2 3.75Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 3.3Å; E254-F256 VanDerWaalsContact C-N 3.35Å; E254-F256 PolarHBondContact O-N 3Å; F256-T258 PolarHBondContact O-N 2.62Å; F256-T259 PolarHBondContact O-N 2.83Å; F256-Q260 HydrophobicContact CE1-CB 4.24Å; F256-Q260 HydrophobicContact CE1-CG 4.37Å; F256-Q260 WeakPolarHBondContact O-CB 3.11Å; F256-Q260 PolarHBondContact O-N 3.01Å; F256-S306 WeakPolarHBondContact CZ-O 3.42Å; F256-I310 HydrophobicContact CD1-CD1 4.22Å; F256-I310 HydrophobicContact CE1-CD1 3.28Å; F256-I310 HydrophobicContact CE2-CD1 4.38Å; F256-I310 HydrophobicContact CZ-CD1 3.4Å
257K75.9Confident69.2Low101 Ų10166.3 Ų66.344%0.43936%0.358SS..Hα-helixtrans-61.7-44.9179.2-65.3-165.7175.7-139.80113S253 S261 E312S253-K257 PolarHBondContact O-N 3.28Å; K257-S261 WeakPolarHBondContact O-CB 3.37Å; K257-S261 PolarHBondContact O-N 3.1Å; K257-S261 PolarHBondContact O-OG 3.31Å; K257-E312 IonicContact NZ-OE1 3.21Å; K257-E312 PolarHBondContact NZ-OE1 2.99Å; K257-E312 IonicContact NZ-OE2 3.78Å
258T79.7Confident72.2Confident78 Ų7858 Ų5848%0.47932%0.321SS..Hα-helixtrans-65.8-43.2177.849.10000111.5E254 W255 F256 S261 H262E254-T258 WeakPolarHBondContact O-CG2 3.41Å; E254-T258 PolarHBondContact O-N 3.13Å; E254-T258 PolarHBondContact O-OG1 2.98Å; W255-T258 WeakPolarHBondContact CA-OG1 3.45Å; W255-T258 PolarHBondContact O-OG1 3.39Å; F256-T258 PolarHBondContact O-N 2.62Å; T258-S261 PolarHBondContact O-OG 3.47Å; T258-H262 WeakPolarHBondContact O-CB 3.36Å; T258-H262 PolarHBondContact O-N 3.12Å; T258-H262 VanDerWaalsContact O-N 3.1Å
259T82Confident75.1Confident6 Ų658.4 Ų58.44%0.03731%0.312CS..Hα-helixtrans-67.4-42.7178.1-58.90000112L192 W255 F256 H262 I263L192-T259 HydrophobicContact CD2-CG2 3.95Å; W255-T259 VanDerWaalsContact CE2-OG1 3.29Å; W255-T259 HydrophobicContact CH2-CG2 4.17Å; W255-T259 HydrophobicContact CZ2-CG2 3.92Å; W255-T259 PolarHBondContact NE1-OG1 3.04Å; W255-T259 WeakPolarHBondContact O-CB 3.2Å; W255-T259 PolarHBondContact O-N 2.88Å; W255-T259 PolarHBondContact O-OG1 2.96Å; F256-T259 PolarHBondContact O-N 2.83Å; T259-H262 PolarHBondContact O-N 2.94Å; T259-I263 HydrophobicContact CG2-CD1 3.66Å; T259-I263 HydrophobicContact CG2-CG1 4.3Å; T259-I263 WeakPolarHBondContact O-CB 3.31Å; T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.23Å; T259-I263 PolarHBondContact O-N 3.25Å
260Q81.4Confident77.7Confident7 Ų751.1 Ų51.13%0.03328%0.279CS..Hα-helixtrans-61.4-47.7177.9178.4-166.5-6.200111.9F256 I263 T264 L307 S313F256-Q260 HydrophobicContact CE1-CB 4.24Å; F256-Q260 HydrophobicContact CE1-CG 4.37Å; F256-Q260 WeakPolarHBondContact O-CB 3.11Å; F256-Q260 PolarHBondContact O-N 3.01Å; Q260-I263 PolarHBondContact O-N 3.08Å; Q260-T264 VanDerWaalsContact O-CB 3.3Å; Q260-T264 WeakPolarHBondContact O-CB 3.46Å; Q260-T264 PolarHBondContact O-N 3.37Å; Q260-T264 PolarHBondContact O-OG1 3.04Å; Q260-L307 HydrophobicContact CB-CD1 4.35Å; Q260-L307 HydrophobicContact CG-CD1 4.18Å; Q260-S313 PolarHBondContact NE2-OG 3Å
261S82.9Confident79.6Confident74 Ų7448 Ų4852%0.51726%0.262SS..Hα-helixtrans-63.5-41.3177.555.70000112K257 T258 T264 S265K257-S261 WeakPolarHBondContact O-CB 3.37Å; K257-S261 PolarHBondContact O-N 3.1Å; K257-S261 PolarHBondContact O-OG 3.31Å; T258-S261 PolarHBondContact O-OG 3.47Å; S261-T264 PolarHBondContact O-N 3.18Å; S261-S265 PolarHBondContact O-N 3.29Å; S261-S265 VanDerWaalsContact O-N 3.07Å
262H86Confident81.6Confident67 Ų6748.4 Ų48.431%0.3126%0.259SS..Hα-helixtrans-62.4-50.9175.8-174.1-112.6000112.2T258 T259 T264 S265 L266T258-H262 WeakPolarHBondContact O-CB 3.36Å; T258-H262 PolarHBondContact O-N 3.12Å; T258-H262 VanDerWaalsContact O-N 3.1Å; T259-H262 PolarHBondContact O-N 2.94Å; H262-T264 VanDerWaalsContact C-N 3.29Å; H262-T264 PolarHBondContact O-N 2.92Å; H262-S265 PolarHBondContact O-N 3.27Å; H262-L266 VanDerWaalsContact CE1-CD1 3.46Å; H262-L266 WeakPolarHBondContact CE1-CD1 3.5Å; H262-L266 WeakPolarHBondContact O-CG 3.27Å; H262-L266 PolarHBondContact O-N 3.36Å
263I87.9Confident83.3Confident0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-60.2-41.4176.8-69.3171.8000110.4L192 F229 T259 Q260 S265 L266 V267 L307L192-I263 HydrophobicContact CD2-CD1 3.76Å; L192-I263 HydrophobicContact CG-CD1 4.09Å; F229-I263 HydrophobicContact CE2-CD1 4.09Å; F229-I263 HydrophobicContact CZ-CD1 4.13Å; T259-I263 HydrophobicContact CG2-CD1 3.66Å; T259-I263 HydrophobicContact CG2-CG1 4.3Å; T259-I263 WeakPolarHBondContact O-CB 3.31Å; T259-I263 VanDerWaalsContact O-CG1 3.27Å; T259-I263 WeakPolarHBondContact O-CG1 3.23Å; T259-I263 PolarHBondContact O-N 3.25Å; Q260-I263 PolarHBondContact O-N 3.08Å; I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.37Å; I263-L266 PolarHBondContact O-N 3.1Å; I263-V267 HydrophobicContact CG2-CG2 3.88Å; I263-V267 WeakPolarHBondContact O-CB 3.19Å; I263-V267 VanDerWaalsContact O-CG2 3.23Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.37Å; I263-L307 HydrophobicContact CG2-CD2 4.14Å
264T86.5Confident84.2Confident21 Ų2142 Ų4213%0.12922%0.218CC..Hα-helixtrans-58.5-45.6178.3-60.80000111.9Q260 S261 H262 V267 S268 H315 L316Q260-T264 VanDerWaalsContact O-CB 3.3Å; Q260-T264 WeakPolarHBondContact O-CB 3.46Å; Q260-T264 PolarHBondContact O-N 3.37Å; Q260-T264 PolarHBondContact O-OG1 3.04Å; S261-T264 PolarHBondContact O-N 3.18Å; H262-T264 VanDerWaalsContact C-N 3.29Å; H262-T264 PolarHBondContact O-N 2.92Å; T264-V267 PolarHBondContact O-N 3.2Å; T264-S268 WeakPolarHBondContact O-CB 3.24Å; T264-S268 PolarHBondContact O-N 2.84Å; T264-H315 HydrophobicContact CG2-CB 4.45Å; T264-L316 HydrophobicContact CG2-CB 3.92Å
265S89.1Confident84.7Confident50 Ų5035.1 Ų35.135%0.3519%0.186SC..Hα-helixtrans-62-45.11751590000112S261 H262 I263 K269S261-S265 PolarHBondContact O-N 3.29Å; S261-S265 VanDerWaalsContact O-N 3.07Å; H262-S265 PolarHBondContact O-N 3.27Å; I263-S265 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.37Å; S265-K269 WeakPolarHBondContact O-CG 3.3Å; S265-K269 PolarHBondContact O-N 3.14Å; S265-K269 VanDerWaalsContact O-N 3.08Å
266L91.3Very high84.5Confident5 Ų536.4 Ų36.43%0.02620%0.195CC..Hα-helixtrans-65.7-42179.4-67.7-179.2000112.2Y200 W221 H262 I263 K269 T270Y200-L266 HydrophobicContact CD1-CD2 3.65Å; Y200-L266 HydrophobicContact CD2-CD2 4.3Å; Y200-L266 HydrophobicContact CE1-CD2 4.17Å; Y200-L266 HydrophobicContact CG-CD2 3.72Å; W221-L266 HydrophobicContact CH2-CB 4.41Å; H262-L266 VanDerWaalsContact CE1-CD1 3.46Å; H262-L266 WeakPolarHBondContact CE1-CD1 3.5Å; H262-L266 WeakPolarHBondContact O-CG 3.27Å; H262-L266 PolarHBondContact O-N 3.36Å; I263-L266 PolarHBondContact O-N 3.1Å; L266-K269 PolarHBondContact O-N 3.16Å; L266-T270 WeakPolarHBondContact O-CB 3.48Å; L266-T270 PolarHBondContact O-N 3.46Å; L266-T270 PolarHBondContact O-OG1 2.92Å
267V91.5Very high83.9Confident0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-60.8-49.9176.9169.10000110.1W221 I263 T264 K269 T270 V271 W296 L300 L316 T319 V320W221-V267 HydrophobicContact CH2-CG2 4.27Å; W221-V267 HydrophobicContact CZ2-CG2 4.3Å; I263-V267 HydrophobicContact CG2-CG2 3.88Å; I263-V267 WeakPolarHBondContact O-CB 3.19Å; I263-V267 VanDerWaalsContact O-CG2 3.23Å; I263-V267 WeakPolarHBondContact O-CG2 3.39Å; I263-V267 PolarHBondContact O-N 3.37Å; T264-V267 PolarHBondContact O-N 3.2Å; V267-K269 PolarHBondContact O-N 2.61Å; V267-T270 WeakPolarHBondContact O-CB 3.44Å; V267-T270 PolarHBondContact O-N 3.1Å; V267-T270 VanDerWaalsContact O-N 3.12Å; V267-V271 HydrophobicContact CG1-CG2 4.21Å; V267-V271 WeakPolarHBondContact O-CB 3.12Å; V267-V271 VanDerWaalsContact O-CG2 3.3Å; V267-V271 WeakPolarHBondContact O-CG2 3.44Å; V267-V271 PolarHBondContact O-N 3.11Å; V267-W296 HydrophobicContact CB-CH2 4.12Å; V267-W296 HydrophobicContact CG1-CH2 3.78Å; V267-W296 HydrophobicContact CG1-CZ3 4.42Å; V267-W296 HydrophobicContact CG2-CH2 3.86Å; V267-W296 HydrophobicContact CG2-CZ2 3.86Å; V267-L300 HydrophobicContact CG1-CD1 4.16Å; V267-L300 HydrophobicContact CG2-CD1 4.12Å; V267-L316 HydrophobicContact CB-CD1 3.76Å; V267-L316 HydrophobicContact CG1-CD1 3.54Å; V267-L316 HydrophobicContact CG2-CD1 4.04Å; V267-T319 HydrophobicContact CG1-CG2 4.37Å; V267-V320 HydrophobicContact CG1-CG2 4.26Å
268S88.6Confident83.2Confident24 Ų2434.7 Ų34.717%0.16819%0.193CC..Hα-helixtrans-56.1-49.9177.3167.70000112.3T264 T270 V271 D272T264-S268 WeakPolarHBondContact O-CB 3.24Å; T264-S268 PolarHBondContact O-N 2.84Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 2.98Å; S268-V271 PolarHBondContact O-N 2.85Å; S268-D272 VanDerWaalsContact O-CG 3.29Å; S268-D272 PolarHBondContact O-N 2.84Å
269K90.9Very high82.5Confident104 Ų10431.7 Ų31.745%0.45218%0.175SC..Hα-helixtrans-63-34.4177.1-67.9174.5-177.5178.20113.2Y200 S265 L266 V267 S273Y200-K269 HydrophobicContact CD2-CB 4.46Å; Y200-K269 HydrophobicContact CE2-CB 3.6Å; Y200-K269 HydrophobicContact CE2-CD 4.47Å; S265-K269 WeakPolarHBondContact O-CG 3.3Å; S265-K269 PolarHBondContact O-N 3.14Å; S265-K269 VanDerWaalsContact O-N 3.08Å; L266-K269 PolarHBondContact O-N 3.16Å; V267-K269 PolarHBondContact O-N 2.61Å; K269-S273 WeakPolarHBondContact O-CB 3.39Å; K269-S273 PolarHBondContact O-N 3.15Å
270T90.6Very high81.4Confident0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-68.2-45.5177-53.40000110.5Y200 I203 W221 L266 V267 S268 S273 V274 W296Y200-T270 WeakPolarHBondContact CD2-OG1 3.42Å; I203-T270 HydrophobicContact CB-CG2 4.35Å; I203-T270 HydrophobicContact CD1-CG2 4.3Å; I203-T270 HydrophobicContact CG2-CG2 3.7Å; W221-T270 HydrophobicContact CZ3-CG2 4.28Å; L266-T270 WeakPolarHBondContact O-CB 3.48Å; L266-T270 PolarHBondContact O-N 3.46Å; L266-T270 PolarHBondContact O-OG1 2.92Å; V267-T270 WeakPolarHBondContact O-CB 3.44Å; V267-T270 PolarHBondContact O-N 3.1Å; V267-T270 VanDerWaalsContact O-N 3.12Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 2.98Å; T270-S273 PolarHBondContact O-N 2.57Å; T270-V274 HydrophobicContact CG2-CG2 4.3Å; T270-V274 WeakPolarHBondContact O-CB 3.42Å; T270-V274 VanDerWaalsContact O-CG2 3.29Å; T270-V274 WeakPolarHBondContact O-CG2 3.28Å; T270-V274 PolarHBondContact O-N 3.46Å; T270-W296 HydrophobicContact CG2-CH2 4.31Å; T270-W296 HydrophobicContact CG2-CZ3 4.49Å
271V89.4Confident79.9Confident4 Ų441 Ų412%0.02422%0.221CC..Hα-helixtrans-61.2-50.2178.9170.40000110.3V267 S268 S273 V274 I275 F293 W296 L297 T319V267-V271 HydrophobicContact CG1-CG2 4.21Å; V267-V271 WeakPolarHBondContact O-CB 3.12Å; V267-V271 VanDerWaalsContact O-CG2 3.3Å; V267-V271 WeakPolarHBondContact O-CG2 3.44Å; V267-V271 PolarHBondContact O-N 3.11Å; S268-V271 PolarHBondContact O-N 2.85Å; V271-S273 VanDerWaalsContact C-N 3.33Å; V271-S273 PolarHBondContact O-N 2.95Å; V271-V274 PolarHBondContact O-N 3.4Å; V271-I275 HydrophobicContact CG1-CD1 3.51Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CB 3.41Å; V271-I275 VanDerWaalsContact O-CG1 3.27Å; V271-I275 WeakPolarHBondContact O-CG1 3.4Å; V271-I275 PolarHBondContact O-N 3.06Å; V271-F293 HydrophobicContact CB-CZ 4.34Å; V271-F293 HydrophobicContact CG1-CZ 4.37Å; V271-F293 HydrophobicContact CG2-CE2 4.18Å; V271-F293 HydrophobicContact CG2-CZ 4Å; V271-W296 HydrophobicContact CG2-CZ3 4.11Å; V271-L297 HydrophobicContact CG2-CD2 3.89Å; V271-T319 HydrophobicContact CB-CG2 4.1Å; V271-T319 HydrophobicContact CG1-CG2 4.25Å; V271-T319 HydrophobicContact CG2-CG2 4.08Å
272D84.8Confident78.3Confident79 Ų7941.5 Ų41.542%0.42222%0.217SC..Hα-helixtrans-59.5-44.8177.9-65.8-15.5000111.5S268 H276S268-D272 VanDerWaalsContact O-CG 3.29Å; S268-D272 PolarHBondContact O-N 2.84Å; D272-H276 WeakPolarHBondContact O-CB 3.22Å; D272-H276 PolarHBondContact O-CD2 3.42Å; D272-H276 VanDerWaalsContact O-CD2 3.3Å; D272-H276 PolarHBondContact O-N 2.75Å
273S85.4Confident76.6Confident18 Ų1840.2 Ų40.213%0.12621%0.214CC..Hα-helixtrans-58.7-53.8176.3167.90000111.8T204 K269 T270 V271 I275 T277 Q278T204-S273 WeakPolarHBondContact CG2-OG 3.18Å; K269-S273 WeakPolarHBondContact O-CB 3.39Å; K269-S273 PolarHBondContact O-N 3.15Å; T270-S273 PolarHBondContact O-N 2.57Å; V271-S273 VanDerWaalsContact C-N 3.33Å; V271-S273 PolarHBondContact O-N 2.95Å; S273-I275 PolarHBondContact O-N 3.24Å; S273-T277 WeakPolarHBondContact O-CA 3.41Å; S273-T277 WeakPolarHBondContact O-CB 3.38Å; S273-T277 PolarHBondContact O-N 3.07Å; S273-T277 PolarHBondContact O-OG1 2.9Å; S273-Q278 PolarHBondContact O-N 3.15Å; S273-Q278 PolarHBondContact OG-NE2 3.11Å
274V82.5Confident74.9Confident0 Ų043.6 Ų43.60%023%0.232CC..Iπ-helixtrans-64.6-43.1-175.2173.30000110.6I203 T270 V271 Q278 L279 F293I203-V274 HydrophobicContact CG2-CG2 3.84Å; T270-V274 HydrophobicContact CG2-CG2 4.3Å; T270-V274 WeakPolarHBondContact O-CB 3.42Å; T270-V274 VanDerWaalsContact O-CG2 3.29Å; T270-V274 WeakPolarHBondContact O-CG2 3.28Å; T270-V274 PolarHBondContact O-N 3.46Å; V271-V274 PolarHBondContact O-N 3.4Å; V274-Q278 PolarHBondContact O-N 3.38Å; V274-L279 HydrophobicContact CG1-CD1 4Å; V274-L279 HydrophobicContact CG1-CG 4.13Å; V274-L279 WeakPolarHBondContact O-CG 3.35Å; V274-L279 PolarHBondContact O-N 3.36Å; V274-F293 HydrophobicContact CB-CD2 4.31Å; V274-F293 HydrophobicContact CB-CE1 4.31Å; V274-F293 HydrophobicContact CB-CE2 4Å; V274-F293 HydrophobicContact CB-CZ 4.01Å; V274-F293 HydrophobicContact CG1-CB 4.48Å; V274-F293 HydrophobicContact CG1-CD1 3.72Å; V274-F293 HydrophobicContact CG1-CD2 4Å; V274-F293 HydrophobicContact CG1-CE1 3.85Å; V274-F293 HydrophobicContact CG1-CE2 4.1Å; V274-F293 HydrophobicContact CG1-CG 3.82Å; V274-F293 HydrophobicContact CG1-CZ 4.03Å; V274-F293 HydrophobicContact CG2-CD2 4.28Å; V274-F293 HydrophobicContact CG2-CE2 4.17Å
275I78.4Confident73.6Confident19 Ų1951.7 Ų51.710%0.09726%0.26CS..Iπ-helixtrans-66.1-55.3-179.6-68.5173.7000111.4V271 S273 F293 M326V271-I275 HydrophobicContact CG1-CD1 3.51Å; V271-I275 HydrophobicContact CG1-CG1 4.41Å; V271-I275 WeakPolarHBondContact O-CB 3.41Å; V271-I275 VanDerWaalsContact O-CG1 3.27Å; V271-I275 WeakPolarHBondContact O-CG1 3.4Å; V271-I275 PolarHBondContact O-N 3.06Å; S273-I275 PolarHBondContact O-N 3.24Å; I275-F293 HydrophobicContact CG1-CE1 4.25Å; I275-M326 HydrophobicContact CD1-CB 4.17Å; I275-M326 HydrophobicContact CD1-CG 4.29Å; I275-M326 HydrophobicContact CG1-CG 4.44Å; I275-M326 HydrophobicContact CG2-CG 3.86Å
276H73.6Confident72.6Confident101 Ų10150.3 Ų50.347%0.46825%0.249SC..Iπ-helixtrans-85.4-25.2-170.1-65.8-65.4000114.1D272 E280D272-H276 WeakPolarHBondContact O-CB 3.22Å; D272-H276 PolarHBondContact O-CD2 3.42Å; D272-H276 VanDerWaalsContact O-CD2 3.3Å; D272-H276 PolarHBondContact O-N 2.75Å; H276-E280 WeakPolarHBondContact O-CG 3.48Å
277T64.5Low71.8Confident62 Ų6251 Ų5138%0.3825%0.253SS..Iπ-helixtrans-109-33.6-175.771.10000113.4S273 L281S273-T277 WeakPolarHBondContact O-CA 3.41Å; S273-T277 WeakPolarHBondContact O-CB 3.38Å; S273-T277 PolarHBondContact O-N 3.07Å; S273-T277 PolarHBondContact O-OG1 2.9Å; T277-L281 WeakPolarHBondContact O-CD1 3.33Å; T277-L281 WeakPolarHBondContact O-CG 3.48Å
278Q61.4Low71.2Confident9 Ų953 Ų534%0.04228%0.275CS..Iπ-helixtrans-104.3-40.7-165.5-50.9-170.82.200113I203 S273 V274 E280 N286 L289I203-Q278 PolarHBondContact O-NE2 3.45Å; S273-Q278 PolarHBondContact O-N 3.15Å; S273-Q278 PolarHBondContact OG-NE2 3.11Å; V274-Q278 PolarHBondContact O-N 3.38Å; Q278-E280 VanDerWaalsContact C-N 3.3Å; Q278-N286 PolarHBondContact O-ND2 3.36Å; Q278-L289 HydrophobicContact CB-CD2 4.29Å
279L63.5Low71Confident16 Ų1651.9 Ų51.98%0.08427%0.267CS..THydrogen-bonded Turntrans-75.3-22.4175.9-68.3170.4000112.1V274 V283 L327V274-L279 HydrophobicContact CG1-CD1 4Å; V274-L279 HydrophobicContact CG1-CG 4.13Å; V274-L279 WeakPolarHBondContact O-CG 3.35Å; V274-L279 PolarHBondContact O-N 3.36Å; L279-V283 WeakPolarHBondContact O-CG2 3.22Å; L279-L327 HydrophobicContact CD1-CD2 3.62Å
280E59.2Low70.7Confident106 Ų10647.1 Ų47.150%0.49525%0.246SC..THydrogen-bonded Turntrans-75.6-31.3176.4-62.2-151.6135.300114.1H276 Q278 K413H276-E280 WeakPolarHBondContact O-CG 3.48Å; Q278-E280 VanDerWaalsContact C-N 3.3Å; E280-K413 VanDerWaalsContact CD-NZ 3.25Å; E280-K413 IonicContact OE1-NZ 2.66Å; E280-K413 PolarHBondContact OE1-NZ 2.89Å; E280-K413 IonicContact OE2-NZ 3.14Å
281L49.7Very low70.4Confident103 Ų10349 Ų4954%0.53926%0.258SS..THydrogen-bonded Turntrans-88.3-22.2-162.9-74.9178.3000116H207 T277H207-L281 VanDerWaalsContact CE1-CD1 3.44Å; H207-L281 WeakPolarHBondContact CE1-CD1 3.15Å; T277-L281 WeakPolarHBondContact O-CD1 3.33Å; T277-L281 WeakPolarHBondContact O-CG 3.48Å
282D49.9Very low70.4Confident83 Ų8349.1 Ų49.144%0.44426%0.259SS..  trans-172.291.8175.3-119.4-22.2000111.9D284 R285 N286D282-D284 PolarHBondContact O-N 2.85Å; D282-R285 PolarHBondContact O-N 2.93Å; D282-N286 PolarHBondContact O-ND2 3.32Å
283V50.7Low70.7Confident41 Ų4145.4 Ų45.425%0.24824%0.239CC..THydrogen-bonded Turntrans-67.5-35.5-168.7176.80000112.9L279 R285 N286 L343L279-V283 WeakPolarHBondContact O-CG2 3.22Å; V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.4Å; V283-N286 PolarHBondContact O-N 3.26Å; V283-L343 HydrophobicContact CG1-CD1 3.15Å; V283-L343 HydrophobicContact CG1-CD2 4Å; V283-L343 HydrophobicContact CG1-CG 4.14Å
284D52.3Low70.9Confident70 Ų7044.5 Ų44.537%0.37423%0.233SC..THydrogen-bonded Turntrans-66.7-32.7-177.5-69.5-58.4000113.2D282 R334 N339D282-D284 PolarHBondContact O-N 2.85Å; D284-R334 IonicContact OD1-CZ 2.94Å; D284-R334 IonicContact OD1-NH1 3.77Å; D284-R334 PolarHBondContact OD1-NH1 2.77Å; D284-R334 IonicContact OD1-NH2 2.66Å; D284-R334 IonicContact OD2-CZ 3.82Å; D284-R334 IonicContact OD2-NH1 3.21Å; D284-R334 PolarHBondContact OD2-NH1 3.29Å; D284-R334 VanDerWaalsContact OD2-NH1 3.11Å; D284-R334 IonicContact OD2-NH2 3.33Å; D284-R334 PolarHBondContact OD2-NH2 2.99Å; D284-N339 PolarHBondContact OD1-ND2 3.4Å
285R57.5Low71.2Confident191 Ų19148.3 Ų48.372%0.72125%0.251SS*.THydrogen-bonded Turntrans-85-13.2-178.2-68.4-178.4174.3-175.6-0113.3S211 D282 V283S211-R285 PolarHBondContact OG-O 3.07Å; D282-R285 PolarHBondContact O-N 2.93Å; V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.4Å
286N69.9Low72Confident21 Ų2147.4 Ų47.411%0.11225%0.246CC..  trans-11315.6-168.1-70.2-20.5000113.9Q278 D282 V283 G288 L289 S290Q278-N286 PolarHBondContact O-ND2 3.36Å; D282-N286 PolarHBondContact O-ND2 3.32Å; V283-N286 PolarHBondContact O-N 3.26Å; N286-G288 PolarHBondContact O-N 2.94Å; N286-L289 HydrophobicContact CB-CB 4.3Å; N286-L289 HydrophobicContact CB-CD2 4.43Å; N286-L289 WeakPolarHBondContact O-CA 3.41Å; N286-L289 WeakPolarHBondContact O-CB 3.44Å; N286-L289 PolarHBondContact O-N 3.34Å; N286-L289 VanDerWaalsContact O-N 3.1Å; N286-S290 PolarHBondContact O-N 2.87Å
287V72.8Confident73Confident19 Ų1942.6 Ų42.612%0.11522%0.224CC..Hα-helixtrans-61.4-47.9179.7-175.30000111.9L289 S290 V291 S342 L343V287-L289 PolarHBondContact O-N 2.93Å; V287-S290 PolarHBondContact O-N 2.96Å; V287-S290 PolarHBondContact O-OG 3.28Å; V287-V291 HydrophobicContact CG1-CG2 4.48Å; V287-V291 PolarHBondContact O-N 3.42Å; V287-S342 WeakPolarHBondContact CG1-O 3.48Å; V287-L343 HydrophobicContact CG2-CD1 4.11Å
288G79.1Confident74.1Confident44 Ų4439.9 Ų39.945%0.45421%0.208SC..Hα-helixtrans-56.9-36.7174.900000112.6V215 N286 A292V215-G288 VanDerWaalsContact CG2-C 3.44Å; V215-G288 WeakPolarHBondContact CG2-O 3.4Å; N286-G288 PolarHBondContact O-N 2.94Å; G288-A292 WeakPolarHBondContact O-CB 3.37Å; G288-A292 PolarHBondContact O-N 3.27Å
289L84.4Confident75.4Confident0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-65.6-44.7175.3178.162.8000111.6R214 V215 L218 Q278 N286 V287 V291 A292 F293R214-L289 HydrophobicContact CB-CD1 3.71Å; V215-L289 HydrophobicContact CG2-CB 4.35Å; L218-L289 HydrophobicContact CD1-CD1 3.76Å; Q278-L289 HydrophobicContact CB-CD2 4.29Å; N286-L289 HydrophobicContact CB-CB 4.3Å; N286-L289 HydrophobicContact CB-CD2 4.43Å; N286-L289 WeakPolarHBondContact O-CA 3.41Å; N286-L289 WeakPolarHBondContact O-CB 3.44Å; N286-L289 PolarHBondContact O-N 3.34Å; N286-L289 VanDerWaalsContact O-N 3.1Å; V287-L289 PolarHBondContact O-N 2.93Å; L289-V291 PolarHBondContact O-N 3.17Å; L289-A292 PolarHBondContact O-N 3.45Å; L289-F293 WeakPolarHBondContact O-CB 3.42Å; L289-F293 PolarHBondContact O-N 2.98Å
290S84.4Confident76.6Confident3 Ų338.9 Ų38.92%0.02120%0.203CC..Hα-helixtrans-62.4-39.9177.967.70000112.8N286 V287 A294 S346N286-S290 PolarHBondContact O-N 2.87Å; V287-S290 PolarHBondContact O-N 2.96Å; V287-S290 PolarHBondContact O-OG 3.28Å; S290-A294 WeakPolarHBondContact O-CB 3.39Å; S290-A294 PolarHBondContact O-N 2.84Å; S290-S346 VanDerWaalsContact OG-CB 3.25Å; S290-S346 WeakPolarHBondContact OG-CB 3.31Å; S290-S346 PolarHBondContact OG-OG 3.12Å
291V85.6Confident77.9Confident41 Ų4134 Ų3425%0.24818%0.18CC..Hα-helixtrans-68.2-46.8176.9175.40000110.9V287 L289 F293 A294 H295 E345V287-V291 HydrophobicContact CG1-CG2 4.48Å; V287-V291 PolarHBondContact O-N 3.42Å; L289-V291 PolarHBondContact O-N 3.17Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.09Å; V291-A294 PolarHBondContact O-N 3.28Å; V291-H295 WeakPolarHBondContact O-CB 3.48Å; V291-H295 PolarHBondContact O-N 3.18Å; V291-E345 HydrophobicContact CG2-CB 4.47Å
292A87.7Confident79.5Confident6 Ų630.5 Ų30.55%0.0516%0.162CC..Hα-helixtrans-63.6-37.6177.200000112.1V215 L218 G288 L289 H295 W296V215-A292 HydrophobicContact CB-CB 4.16Å; V215-A292 HydrophobicContact CG1-CB 3.89Å; V215-A292 HydrophobicContact CG2-CB 3.91Å; L218-A292 HydrophobicContact CB-CB 4.37Å; L218-A292 HydrophobicContact CD1-CB 4.16Å; G288-A292 WeakPolarHBondContact O-CB 3.37Å; G288-A292 PolarHBondContact O-N 3.27Å; L289-A292 PolarHBondContact O-N 3.45Å; A292-H295 PolarHBondContact O-N 3.4Å; A292-W296 WeakPolarHBondContact O-CB 3.38Å; A292-W296 PolarHBondContact O-N 3.09Å
293F91.5Very high80.9Confident0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-67.4-45.1176.6-178.8-120.8000111.6L218 V271 V274 I275 L289 V291 H295 W296 L297 L327L218-F293 HydrophobicContact CD1-CB 4.03Å; L218-F293 HydrophobicContact CD2-CD2 4.33Å; V271-F293 HydrophobicContact CB-CZ 4.34Å; V271-F293 HydrophobicContact CG1-CZ 4.37Å; V271-F293 HydrophobicContact CG2-CE2 4.18Å; V271-F293 HydrophobicContact CG2-CZ 4Å; V274-F293 HydrophobicContact CB-CD2 4.31Å; V274-F293 HydrophobicContact CB-CE1 4.31Å; V274-F293 HydrophobicContact CB-CE2 4Å; V274-F293 HydrophobicContact CB-CZ 4.01Å; V274-F293 HydrophobicContact CG1-CB 4.48Å; V274-F293 HydrophobicContact CG1-CD1 3.72Å; V274-F293 HydrophobicContact CG1-CD2 4Å; V274-F293 HydrophobicContact CG1-CE1 3.85Å; V274-F293 HydrophobicContact CG1-CE2 4.1Å; V274-F293 HydrophobicContact CG1-CG 3.82Å; V274-F293 HydrophobicContact CG1-CZ 4.03Å; V274-F293 HydrophobicContact CG2-CD2 4.28Å; V274-F293 HydrophobicContact CG2-CE2 4.17Å; I275-F293 HydrophobicContact CG1-CE1 4.25Å; L289-F293 WeakPolarHBondContact O-CB 3.42Å; L289-F293 PolarHBondContact O-N 2.98Å; V291-F293 VanDerWaalsContact C-N 3.3Å; V291-F293 PolarHBondContact O-N 3.09Å; F293-H295 VanDerWaalsContact C-N 3.33Å; F293-H295 PolarHBondContact O-N 2.94Å; F293-W296 AromaticContact CD2-CE3 3.96Å; F293-W296 HydrophobicContact CD2-CE3 3.96Å; F293-W296 HydrophobicContact CD2-CZ3 4.31Å; F293-W296 AromaticContact CE2-CE3 3.96Å; F293-W296 HydrophobicContact CE2-CE3 3.96Å; F293-W296 AromaticContact CE2-CZ3 3.85Å; F293-W296 HydrophobicContact CE2-CZ3 3.85Å; F293-W296 PolarHBondContact O-N 2.68Å; F293-L297 HydrophobicContact CD1-CD1 4.19Å; F293-L297 HydrophobicContact CE1-CD1 3.74Å; F293-L297 HydrophobicContact CE2-CD1 4.22Å; F293-L297 HydrophobicContact CE2-CD2 4.44Å; F293-L297 HydrophobicContact CE2-CG 4.25Å; F293-L297 HydrophobicContact CZ-CD1 3.76Å; F293-L297 HydrophobicContact CZ-CD2 4.5Å; F293-L297 HydrophobicContact CZ-CG 4.28Å; F293-L297 WeakPolarHBondContact O-CG 3.32Å; F293-L297 PolarHBondContact O-N 3.32Å; F293-L327 HydrophobicContact CD1-CD1 3.48Å; F293-L327 VanDerWaalsContact CD1-CD1 3.48Å; F293-L327 HydrophobicContact CD1-CD2 4.16Å; F293-L327 HydrophobicContact CD1-CG 4.18Å; F293-L327 HydrophobicContact CE1-CD1 3.9Å; F293-L327 HydrophobicContact CE1-CG 4.35Å; F293-L327 HydrophobicContact CG-CD1 4.46Å
294A89.4Confident82.4Confident0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-60.9-41.8173.300000111.8S290 V291 L297 G298 L327 L349 L353S290-A294 WeakPolarHBondContact O-CB 3.39Å; S290-A294 PolarHBondContact O-N 2.84Å; V291-A294 PolarHBondContact O-N 3.28Å; A294-L297 PolarHBondContact O-N 3.49Å; A294-G298 PolarHBondContact O-N 3.36Å; A294-L327 HydrophobicContact CB-CD1 3.71Å; A294-L349 HydrophobicContact CB-CD2 3.41Å; A294-L349 VanDerWaalsContact CB-CD2 3.41Å; A294-L353 WeakPolarHBondContact O-CD1 3.46Å
295H90.6Very high83.3Confident80 Ų8029.1 Ų29.137%0.3715%0.146SC..Hα-helixtrans-60.6-48174.6-178.475.8000112.1V291 A292 F293 L297 G298 V299V291-H295 WeakPolarHBondContact O-CB 3.48Å; V291-H295 PolarHBondContact O-N 3.18Å; A292-H295 PolarHBondContact O-N 3.4Å; F293-H295 VanDerWaalsContact C-N 3.33Å; F293-H295 PolarHBondContact O-N 2.94Å; H295-L297 PolarHBondContact O-N 3.07Å; H295-G298 CarbonylContact O-C 3.59Å; H295-G298 WeakPolarHBondContact O-CA 3.46Å; H295-G298 PolarHBondContact O-N 3.19Å; H295-G298 VanDerWaalsContact O-N 3.11Å; H295-V299 WeakPolarHBondContact O-CG2 3.28Å; H295-V299 PolarHBondContact O-N 2.89Å
296W94.9Very high84Confident0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-60.8-43.4179174.377.3000112.3L218 W221 S222 V267 T270 V271 A292 F293 V299 L300L218-W296 HydrophobicContact CB-CB 4.28Å; L218-W296 HydrophobicContact CD2-CB 3.91Å; L218-W296 HydrophobicContact CD2-CD2 3.69Å; L218-W296 HydrophobicContact CD2-CE3 3.95Å; L218-W296 HydrophobicContact CD2-CG 3.67Å; W221-W296 AromaticContact CD2-CE2 3.89Å; W221-W296 AromaticContact CD2-CZ2 3.92Å; W221-W296 HydrophobicContact CD2-CZ2 3.92Å; W221-W296 AromaticContact CD2-NE1 3.38Å; W221-W296 AromaticContact CE3-CE2 3.53Å; W221-W296 HydrophobicContact CE3-CH2 4.43Å; W221-W296 AromaticContact CE3-CZ2 3.43Å; W221-W296 HydrophobicContact CE3-CZ2 3.43Å; W221-W296 VanDerWaalsContact CE3-CZ2 3.43Å; W221-W296 AromaticContact CE3-NE1 3.41Å; W221-W296 AromaticContact CG-NE1 3.58Å; W221-W296 HydrophobicContact CH2-CH2 4.13Å; W221-W296 AromaticContact CH2-CZ2 3.49Å; W221-W296 HydrophobicContact CH2-CZ2 3.49Å; W221-W296 VanDerWaalsContact CH2-CZ2 3.49Å; W221-W296 AromaticContact CZ2-CZ2 3.95Å; W221-W296 HydrophobicContact CZ2-CZ2 3.95Å; W221-W296 AromaticContact CZ3-CE2 3.82Å; W221-W296 AromaticContact CZ3-CH2 3.88Å; W221-W296 HydrophobicContact CZ3-CH2 3.88Å; W221-W296 AromaticContact CZ3-CZ2 3.2Å; W221-W296 HydrophobicContact CZ3-CZ2 3.2Å; S222-W296 WeakPolarHBondContact OG-CA 3.39Å; V267-W296 HydrophobicContact CB-CH2 4.12Å; V267-W296 HydrophobicContact CG1-CH2 3.78Å; V267-W296 HydrophobicContact CG1-CZ3 4.42Å; V267-W296 HydrophobicContact CG2-CH2 3.86Å; V267-W296 HydrophobicContact CG2-CZ2 3.86Å; T270-W296 HydrophobicContact CG2-CH2 4.31Å; T270-W296 HydrophobicContact CG2-CZ3 4.49Å; V271-W296 HydrophobicContact CG2-CZ3 4.11Å; A292-W296 WeakPolarHBondContact O-CB 3.38Å; A292-W296 PolarHBondContact O-N 3.09Å; F293-W296 AromaticContact CD2-CE3 3.96Å; F293-W296 HydrophobicContact CD2-CE3 3.96Å; F293-W296 HydrophobicContact CD2-CZ3 4.31Å; F293-W296 AromaticContact CE2-CE3 3.96Å; F293-W296 HydrophobicContact CE2-CE3 3.96Å; F293-W296 AromaticContact CE2-CZ3 3.85Å; F293-W296 HydrophobicContact CE2-CZ3 3.85Å; F293-W296 PolarHBondContact O-N 2.68Å; W296-V299 PolarHBondContact O-N 3.48Å; W296-L300 HydrophobicContact CD2-CD1 4.08Å; W296-L300 HydrophobicContact CE3-CD1 4.24Å; W296-L300 HydrophobicContact CH2-CD1 3.85Å; W296-L300 HydrophobicContact CZ2-CD1 3.62Å; W296-L300 HydrophobicContact CZ3-CD1 4.13Å; W296-L300 PolarHBondContact O-N 3.36Å
297L93.7Very high84.4Confident0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-62.2-41.8172.1-69.8177.3000112V271 F293 A294 H295 V299 L300 L301 V320 L324 L327V271-L297 HydrophobicContact CG2-CD2 3.89Å; F293-L297 HydrophobicContact CD1-CD1 4.19Å; F293-L297 HydrophobicContact CE1-CD1 3.74Å; F293-L297 HydrophobicContact CE2-CD1 4.22Å; F293-L297 HydrophobicContact CE2-CD2 4.44Å; F293-L297 HydrophobicContact CE2-CG 4.25Å; F293-L297 HydrophobicContact CZ-CD1 3.76Å; F293-L297 HydrophobicContact CZ-CD2 4.5Å; F293-L297 HydrophobicContact CZ-CG 4.28Å; F293-L297 WeakPolarHBondContact O-CG 3.32Å; F293-L297 PolarHBondContact O-N 3.32Å; A294-L297 PolarHBondContact O-N 3.49Å; H295-L297 PolarHBondContact O-N 3.07Å; L297-V299 VanDerWaalsContact C-N 3.34Å; L297-V299 PolarHBondContact O-N 3.32Å; L297-L300 PolarHBondContact O-N 3.09Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 3.01Å; L297-V320 HydrophobicContact CB-CG1 4.15Å; L297-V320 HydrophobicContact CD2-CB 4.36Å; L297-V320 HydrophobicContact CD2-CG1 4.11Å; L297-V320 HydrophobicContact CD2-CG2 4.2Å; L297-V320 VanDerWaalsContact O-CG1 3.31Å; L297-V320 WeakPolarHBondContact O-CG1 3.4Å; L297-L324 HydrophobicContact CB-CD1 4.29Å; L297-L324 HydrophobicContact CB-CD2 3.68Å; L297-L324 HydrophobicContact CB-CG 3.78Å; L297-L324 HydrophobicContact CD1-CD2 4.07Å; L297-L324 HydrophobicContact CD1-CG 4.03Å; L297-L327 HydrophobicContact CD1-CD1 4.22Å
298G88.8Confident84.5Confident4 Ų418.8 Ų18.84%0.04111%0.105CC..Hα-helixtrans-62.4-38.1175.300000113.5A294 H295 L301 L302A294-G298 PolarHBondContact O-N 3.36Å; H295-G298 CarbonylContact O-C 3.59Å; H295-G298 WeakPolarHBondContact O-CA 3.46Å; H295-G298 PolarHBondContact O-N 3.19Å; H295-G298 VanDerWaalsContact O-N 3.11Å; G298-L301 PolarHBondContact O-N 3.49Å; G298-L302 WeakPolarHBondContact O-CB 3.5Å; G298-L302 WeakPolarHBondContact O-CG 3.14Å; G298-L302 PolarHBondContact O-N 3.4Å
299V88.1Confident83.9Confident4 Ų418.5 Ų18.52%0.0249%0.093CC..Hα-helixtrans-63.9-47.9175.2164.40000110.7V226 H295 W296 L297 L301 K303 C304V226-V299 HydrophobicContact CG2-CG1 3.36Å; H295-V299 WeakPolarHBondContact O-CG2 3.28Å; H295-V299 PolarHBondContact O-N 2.89Å; W296-V299 PolarHBondContact O-N 3.48Å; L297-V299 VanDerWaalsContact C-N 3.34Å; L297-V299 PolarHBondContact O-N 3.32Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.01Å; V299-K303 HydrophobicContact CG1-CB 4.44Å; V299-K303 HydrophobicContact CG2-CD 4.34Å; V299-K303 WeakPolarHBondContact O-CA 3.36Å; V299-K303 WeakPolarHBondContact O-CB 3.35Å; V299-K303 PolarHBondContact O-N 3.05Å; V299-C304 PolarHBondContact O-N 3.37Å; V299-C304 VanDerWaalsContact O-N 3.14Å
300L88.3Confident83Confident1 Ų121.1 Ų21.11%0.00511%0.107CC..Hα-helixtrans-56.6-44.6174.7-77169.5000111.4L225 V267 W296 L297 L307 I308 V320L225-L300 HydrophobicContact CD1-CD2 3.68Å; L225-L300 HydrophobicContact CD1-CG 4.27Å; V267-L300 HydrophobicContact CG1-CD1 4.16Å; V267-L300 HydrophobicContact CG2-CD1 4.12Å; W296-L300 HydrophobicContact CD2-CD1 4.08Å; W296-L300 HydrophobicContact CE3-CD1 4.24Å; W296-L300 HydrophobicContact CH2-CD1 3.85Å; W296-L300 HydrophobicContact CZ2-CD1 3.62Å; W296-L300 HydrophobicContact CZ3-CD1 4.13Å; W296-L300 PolarHBondContact O-N 3.36Å; L297-L300 PolarHBondContact O-N 3.09Å; L300-L307 HydrophobicContact CD2-CD2 3.85Å; L300-I308 WeakPolarHBondContact O-CD1 3.45Å; L300-V320 HydrophobicContact CB-CG1 4.45Å; L300-V320 HydrophobicContact CB-CG2 4.17Å; L300-V320 HydrophobicContact CD1-CG2 4.07Å
301L86.2Confident81.8Confident4 Ų423 Ų232%0.02113%0.127CC..Hα-helixtrans-71.1-45.4-176.1-167.961000113.6L297 G298 V299 I308 V320 V321 L324 F357L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 3.01Å; G298-L301 PolarHBondContact O-N 3.49Å; V299-L301 VanDerWaalsContact C-N 3.28Å; V299-L301 PolarHBondContact O-N 3.01Å; L301-I308 HydrophobicContact CD1-CD1 3.89Å; L301-V320 HydrophobicContact CB-CG1 3.94Å; L301-V320 HydrophobicContact CD1-CG1 4.34Å; L301-V321 HydrophobicContact CD1-CG2 4.07Å; L301-V321 HydrophobicContact CD2-CG2 4.45Å; L301-L324 HydrophobicContact CD2-CD1 3.65Å; L301-F357 HydrophobicContact CD1-CD1 4.28Å; L301-F357 HydrophobicContact CD1-CD2 3.65Å; L301-F357 HydrophobicContact CD1-CE1 4.17Å; L301-F357 HydrophobicContact CD1-CE2 3.55Å; L301-F357 HydrophobicContact CD1-CG 4.03Å; L301-F357 HydrophobicContact CD1-CZ 3.83Å; L301-F357 HydrophobicContact CD2-CB 3.67Å; L301-F357 HydrophobicContact CD2-CD1 4.04Å; L301-F357 HydrophobicContact CD2-CD2 3.96Å; L301-F357 HydrophobicContact CD2-CG 3.63Å; L301-F357 HydrophobicContact CG-CB 4.17Å; L301-F357 HydrophobicContact CG-CD1 4.44Å; L301-F357 HydrophobicContact CG-CD2 3.58Å; L301-F357 HydrophobicContact CG-CE2 4.04Å; L301-F357 HydrophobicContact CG-CG 3.82Å
302L82.9Confident80.7Confident29 Ų2926.8 Ų26.815%0.15214%0.142CC..Hα-helixtrans-104.5-32-167.1-57.5-177.3000113.8G298 H305 L353 D356 F357 I360G298-L302 WeakPolarHBondContact O-CB 3.5Å; G298-L302 WeakPolarHBondContact O-CG 3.14Å; G298-L302 PolarHBondContact O-N 3.4Å; L302-H305 PolarHBondContact O-CE1 3.19Å; L302-H305 PolarHBondContact O-ND1 3.07Å; L302-L353 HydrophobicContact CD1-CD2 3.7Å; L302-D356 HydrophobicContact CD1-CB 3.8Å; L302-F357 HydrophobicContact CD2-CB 3.83Å; L302-F357 HydrophobicContact CD2-CD2 4.19Å; L302-I360 HydrophobicContact CD2-CD1 3.95Å
303K80.5Confident79.8Confident104 Ų10426.5 Ų26.545%0.45214%0.139SC..THydrogen-bonded Turntrans-100.8-35.1-173.9-61.5-169.6178.9-176.50113V226 V299 H305V226-K303 HydrophobicContact CG2-CB 4.03Å; V226-K303 HydrophobicContact CG2-CD 3.84Å; V299-K303 HydrophobicContact CG1-CB 4.44Å; V299-K303 HydrophobicContact CG2-CD 4.34Å; V299-K303 WeakPolarHBondContact O-CA 3.36Å; V299-K303 WeakPolarHBondContact O-CB 3.35Å; V299-K303 PolarHBondContact O-N 3.05Å; K303-H305 VanDerWaalsContact C-N 3.28Å; K303-H305 PolarHBondContact O-N 3.45Å
304C81.1Confident79Confident0 Ų031 Ų310%016%0.161CC..  trans-86.656.5-177.8-59.30000112.9F229 V299 S306 L307 I308F229-C304 HydrophobicContact CB-CB 3.99Å; V299-C304 PolarHBondContact O-N 3.37Å; V299-C304 VanDerWaalsContact O-N 3.14Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 3.3Å; C304-L307 HydrophobicContact CB-CB 4.14Å; C304-L307 PolarHBondContact O-N 3.15Å; C304-L307 VanDerWaalsContact O-N 3.09Å; C304-I308 PolarHBondContact O-N 2.7Å; C304-I308 VanDerWaalsContact O-N 3.13Å
305H72Confident78.6Confident61 Ų6136.1 Ų36.128%0.28218%0.184SC..Hα-helixtrans-55.6-42.1-174.8-92.967.4000113.6L302 K303 L307 I308 N309L302-H305 PolarHBondContact O-CE1 3.19Å; L302-H305 PolarHBondContact O-ND1 3.07Å; K303-H305 VanDerWaalsContact C-N 3.28Å; K303-H305 PolarHBondContact O-N 3.45Å; H305-L307 VanDerWaalsContact C-N 3.32Å; H305-L307 PolarHBondContact O-N 3.1Å; H305-I308 PolarHBondContact O-N 2.94Å; H305-N309 PolarHBondContact CD2-ND2 2.71Å; H305-N309 WeakPolarHBondContact O-CB 3.27Å; H305-N309 PolarHBondContact O-N 3.31Å; H305-N309 VanDerWaalsContact O-N 3.12Å
306S73Confident78.3Confident13 Ų1332.3 Ų32.39%0.09117%0.167CC..Hα-helixtrans-65.5-34.5-179.855.80000112.2F229 F256 C304 I310F229-S306 VanDerWaalsContact CA-OG 3.3Å; F229-S306 WeakPolarHBondContact CA-OG 3.48Å; F229-S306 VanDerWaalsContact CB-OG 3.25Å; F229-S306 WeakPolarHBondContact CB-OG 3.27Å; F229-S306 VanDerWaalsContact CD1-OG 3.31Å; F229-S306 WeakPolarHBondContact CD1-OG 3.47Å; F229-S306 PolarHBondContact O-OG 3.46Å; F256-S306 WeakPolarHBondContact CZ-O 3.42Å; C304-S306 VanDerWaalsContact C-N 3.31Å; C304-S306 PolarHBondContact O-N 3.3Å; S306-I310 WeakPolarHBondContact O-CD1 3.44Å; S306-I310 WeakPolarHBondContact O-CG1 3.5Å
307L76.8Confident77.8Confident0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-72.9-41.3177.2-176.665.9000111.9F229 Q260 I263 L300 C304 H305 S313 L316F229-L307 HydrophobicContact CB-CB 4.48Å; F229-L307 HydrophobicContact CD1-CB 4.1Å; F229-L307 HydrophobicContact CD2-CB 4.14Å; F229-L307 HydrophobicContact CD2-CD2 4.23Å; F229-L307 HydrophobicContact CE1-CB 4.34Å; F229-L307 HydrophobicContact CE1-CD1 4.24Å; F229-L307 HydrophobicContact CE2-CB 4.37Å; F229-L307 HydrophobicContact CE2-CD1 4.18Å; F229-L307 HydrophobicContact CE2-CD2 4.07Å; F229-L307 HydrophobicContact CE2-CG 4.44Å; F229-L307 HydrophobicContact CG-CB 4Å; F229-L307 HydrophobicContact CZ-CB 4.47Å; F229-L307 HydrophobicContact CZ-CD1 3.89Å; Q260-L307 HydrophobicContact CB-CD1 4.35Å; Q260-L307 HydrophobicContact CG-CD1 4.18Å; I263-L307 HydrophobicContact CG2-CD2 4.14Å; L300-L307 HydrophobicContact CD2-CD2 3.85Å; C304-L307 HydrophobicContact CB-CB 4.14Å; C304-L307 PolarHBondContact O-N 3.15Å; C304-L307 VanDerWaalsContact O-N 3.09Å; H305-L307 VanDerWaalsContact C-N 3.32Å; H305-L307 PolarHBondContact O-N 3.1Å; L307-S313 WeakPolarHBondContact O-CB 3.4Å; L307-S313 PolarHBondContact O-OG 3.38Å; L307-L316 HydrophobicContact CD1-CD2 4.36Å; L307-L316 HydrophobicContact CD2-CD2 3.94Å; L307-L316 HydrophobicContact CG-CD2 3.79Å
308I74.6Confident77.4Confident0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-93.4-29.8-164.4-127.9-170000114.4L300 L301 C304 H305 S313 L316 R317L300-I308 WeakPolarHBondContact O-CD1 3.45Å; L301-I308 HydrophobicContact CD1-CD1 3.89Å; C304-I308 PolarHBondContact O-N 2.7Å; C304-I308 VanDerWaalsContact O-N 3.13Å; H305-I308 PolarHBondContact O-N 2.94Å; I308-S313 VanDerWaalsContact O-CB 3.25Å; I308-S313 WeakPolarHBondContact O-CB 3.48Å; I308-L316 HydrophobicContact CG1-CD2 4.4Å; I308-L316 HydrophobicContact CG1-CG 4.36Å; I308-R317 HydrophobicContact CB-CG 4.22Å; I308-R317 HydrophobicContact CD1-CB 4.44Å; I308-R317 HydrophobicContact CD1-CG 3.65Å; I308-R317 HydrophobicContact CG1-CG 3.45Å; I308-R317 VanDerWaalsContact CG1-CG 3.45Å; I308-R317 HydrophobicContact CG2-CG 4.28Å; I308-R317 VanDerWaalsContact O-CD 3.23Å; I308-R317 WeakPolarHBondContact O-CD 3.49Å; I308-R317 WeakPolarHBondContact O-CG 3.28Å; I308-R317 PolarHBondContact O-NE 3.41Å; I308-R317 VanDerWaalsContact O-NE 3.13Å
309N67.9Low77.3Confident38 Ų3835.8 Ų35.820%0.20318%0.18CC..SBendtrans-941.1-170.1-71.8-34.2000115.3H305 N376H305-N309 PolarHBondContact CD2-ND2 2.71Å; H305-N309 WeakPolarHBondContact O-CB 3.27Å; H305-N309 PolarHBondContact O-N 3.31Å; H305-N309 VanDerWaalsContact O-N 3.12Å; N309-N376 PolarHBondContact O-ND2 2.94Å
310I65.5Low77.4Confident55 Ų5535.6 Ų35.628%0.28218%0.179SC..SBendtrans-79.5143.7176.7-66.4171.4000109.6F256 S306 E312 S313F256-I310 HydrophobicContact CD1-CD1 4.22Å; F256-I310 HydrophobicContact CE1-CD1 3.28Å; F256-I310 HydrophobicContact CE2-CD1 4.38Å; F256-I310 HydrophobicContact CZ-CD1 3.4Å; S306-I310 WeakPolarHBondContact O-CD1 3.44Å; S306-I310 WeakPolarHBondContact O-CG1 3.5Å; I310-E312 PolarHBondContact O-N 3.29Å; I310-S313 WeakPolarHBondContact O-CB 3.38Å; I310-S313 PolarHBondContact O-N 3.03Å
311G59.3Low77.3Confident43 Ų4335.6 Ų35.644%0.44318%0.179SC..G310 helixtrans-52.9-29.9-169.500000115.4S313G311-S313 VanDerWaalsContact C-N 3.34Å; G311-S313 PolarHBondContact O-N 2.56Å
312E62.5Low77.3Confident120 Ų12037 Ų3756%0.56119%0.189SC*.G310 helixtrans-76.9-13.2177.6-63177.3-168.100113.4K257 I310 Q314K257-E312 IonicContact NZ-OE1 3.21Å; K257-E312 PolarHBondContact NZ-OE1 2.99Å; K257-E312 IonicContact NZ-OE2 3.78Å; I310-E312 PolarHBondContact O-N 3.29Å; E312-Q314 PolarHBondContact O-N 3Å
313S67.8Low77.4Confident0 Ų035.6 Ų35.60%018%0.182CC..G310 helixtrans-8815.4-176.2-76.20000115.7Q260 L307 I308 I310 G311 H315 L316 R317Q260-S313 PolarHBondContact NE2-OG 3Å; L307-S313 WeakPolarHBondContact O-CB 3.4Å; L307-S313 PolarHBondContact O-OG 3.38Å; I308-S313 VanDerWaalsContact O-CB 3.25Å; I308-S313 WeakPolarHBondContact O-CB 3.48Å; I310-S313 WeakPolarHBondContact O-CB 3.38Å; I310-S313 PolarHBondContact O-N 3.03Å; G311-S313 VanDerWaalsContact C-N 3.34Å; G311-S313 PolarHBondContact O-N 2.56Å; S313-H315 VanDerWaalsContact C-N 3.29Å; S313-H315 PolarHBondContact O-N 3.31Å; S313-L316 PolarHBondContact O-N 2.84Å; S313-R317 PolarHBondContact O-N 2.93Å
314Q75Confident77.8Confident95 Ų9530.6 Ų30.644%0.44416%0.16SC..Hα-helixtrans-59.4-40.2-179.5-72.2-172.6-0.700112.7E312 R317 Y318E312-Q314 PolarHBondContact O-N 3Å; Q314-R317 PolarHBondContact O-N 3.44Å; Q314-Y318 WeakPolarHBondContact O-CB 3.39Å; Q314-Y318 PolarHBondContact O-N 2.96Å
315H81.5Confident78Confident108 Ų10830.7 Ų30.750%0.516%0.161SC..Hα-helixtrans-63.5-42.7177.7-175.2-78.4000112.2T264 S313 Y318 T319T264-H315 HydrophobicContact CG2-CB 4.45Å; S313-H315 VanDerWaalsContact C-N 3.29Å; S313-H315 PolarHBondContact O-N 3.31Å; H315-Y318 PolarHBondContact O-N 3.25Å; H315-T319 PolarHBondContact CE1-OG1 2.64Å; H315-T319 PolarHBondContact ND1-OG1 3.49Å; H315-T319 WeakPolarHBondContact O-CB 3.42Å; H315-T319 PolarHBondContact O-N 3.41Å; H315-T319 PolarHBondContact O-OG1 3.15Å
316L84.8Confident78.6Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-62.8-47.2177.9179.657.3000111T264 V267 L307 I308 S313 Y318 T319 V320T264-L316 HydrophobicContact CG2-CB 3.92Å; V267-L316 HydrophobicContact CB-CD1 3.76Å; V267-L316 HydrophobicContact CG1-CD1 3.54Å; V267-L316 HydrophobicContact CG2-CD1 4.04Å; L307-L316 HydrophobicContact CD1-CD2 4.36Å; L307-L316 HydrophobicContact CD2-CD2 3.94Å; L307-L316 HydrophobicContact CG-CD2 3.79Å; I308-L316 HydrophobicContact CG1-CD2 4.4Å; I308-L316 HydrophobicContact CG1-CG 4.36Å; S313-L316 PolarHBondContact O-N 2.84Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; L316-Y318 PolarHBondContact O-N 3.29Å; L316-T319 PolarHBondContact O-N 3.01Å; L316-V320 HydrophobicContact CD1-CG2 4.13Å; L316-V320 WeakPolarHBondContact O-CG2 3.37Å; L316-V320 PolarHBondContact O-N 3.36Å
317R84.4Confident79Confident4 Ų428.7 Ų28.72%0.01515%0.15CC..Hα-helixtrans-55.8-49.1175.1-77.2-169.7-78.4161.3-3.7111.8I308 S313 Q314 T319 V320 V321 N376 L382I308-R317 HydrophobicContact CB-CG 4.22Å; I308-R317 HydrophobicContact CD1-CB 4.44Å; I308-R317 HydrophobicContact CD1-CG 3.65Å; I308-R317 HydrophobicContact CG1-CG 3.45Å; I308-R317 VanDerWaalsContact CG1-CG 3.45Å; I308-R317 HydrophobicContact CG2-CG 4.28Å; I308-R317 VanDerWaalsContact O-CD 3.23Å; I308-R317 WeakPolarHBondContact O-CD 3.49Å; I308-R317 WeakPolarHBondContact O-CG 3.28Å; I308-R317 PolarHBondContact O-NE 3.41Å; I308-R317 VanDerWaalsContact O-NE 3.13Å; S313-R317 PolarHBondContact O-N 2.93Å; Q314-R317 PolarHBondContact O-N 3.44Å; R317-T319 PolarHBondContact O-N 2.89Å; R317-V320 PolarHBondContact O-N 3.04Å; R317-V321 WeakPolarHBondContact O-CG2 3.45Å; R317-V321 PolarHBondContact O-N 3.08Å; R317-N376 VanDerWaalsContact NH1-CB 3.31Å; R317-N376 PolarHBondContact NH2-OD1 2.95Å; R317-L382 HydrophobicContact CB-CD2 3.68Å
318Y85Confident79.2Confident62 Ų6228.7 Ų28.724%0.24315%0.15CC..Hα-helixtrans-58.4-47.6178.1179.4-89.4000111.9Q314 H315 L316 V320 V321 S322 L382 K385 A386 D389Q314-Y318 WeakPolarHBondContact O-CB 3.39Å; Q314-Y318 PolarHBondContact O-N 2.96Å; H315-Y318 PolarHBondContact O-N 3.25Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; L316-Y318 PolarHBondContact O-N 3.29Å; Y318-V320 VanDerWaalsContact C-N 3.35Å; Y318-V320 PolarHBondContact O-N 3.21Å; Y318-V321 PolarHBondContact O-N 3.43Å; Y318-S322 VanDerWaalsContact O-CB 3.28Å; Y318-S322 WeakPolarHBondContact O-CB 3.34Å; Y318-S322 PolarHBondContact O-N 3.06Å; Y318-L382 HydrophobicContact CD2-CD1 4.14Å; Y318-K385 HydrophobicContact CE2-CG 4.42Å; Y318-A386 HydrophobicContact CD2-CB 4.15Å; Y318-A386 HydrophobicContact CE2-CB 3.76Å; Y318-D389 WeakPolarHBondContact OH-CB 3.47Å; Y318-D389 PolarHBondContact OH-OD2 3.02Å
319T86.5Confident79.5Confident11 Ų1128.7 Ų28.77%0.06715%0.15CC..Hα-helixtrans-58.4-46.3179-57.20000111.5V267 V271 H315 L316 R317 S322 G323V267-T319 HydrophobicContact CG1-CG2 4.37Å; V271-T319 HydrophobicContact CB-CG2 4.1Å; V271-T319 HydrophobicContact CG1-CG2 4.25Å; V271-T319 HydrophobicContact CG2-CG2 4.08Å; H315-T319 PolarHBondContact CE1-OG1 2.64Å; H315-T319 PolarHBondContact ND1-OG1 3.49Å; H315-T319 WeakPolarHBondContact O-CB 3.42Å; H315-T319 PolarHBondContact O-N 3.41Å; H315-T319 PolarHBondContact O-OG1 3.15Å; L316-T319 PolarHBondContact O-N 3.01Å; R317-T319 PolarHBondContact O-N 2.89Å; T319-S322 PolarHBondContact O-N 2.92Å; T319-G323 PolarHBondContact O-N 3.32Å
320V89.2Confident79.7Confident0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-65.8-45.4-178.7171.40000111.2V267 L297 L300 L301 L316 R317 Y318 G323 L324V267-V320 HydrophobicContact CG1-CG2 4.26Å; L297-V320 HydrophobicContact CB-CG1 4.15Å; L297-V320 HydrophobicContact CD2-CB 4.36Å; L297-V320 HydrophobicContact CD2-CG1 4.11Å; L297-V320 HydrophobicContact CD2-CG2 4.2Å; L297-V320 VanDerWaalsContact O-CG1 3.31Å; L297-V320 WeakPolarHBondContact O-CG1 3.4Å; L300-V320 HydrophobicContact CB-CG1 4.45Å; L300-V320 HydrophobicContact CB-CG2 4.17Å; L300-V320 HydrophobicContact CD1-CG2 4.07Å; L301-V320 HydrophobicContact CB-CG1 3.94Å; L301-V320 HydrophobicContact CD1-CG1 4.34Å; L316-V320 HydrophobicContact CD1-CG2 4.13Å; L316-V320 WeakPolarHBondContact O-CG2 3.37Å; L316-V320 PolarHBondContact O-N 3.36Å; R317-V320 PolarHBondContact O-N 3.04Å; Y318-V320 VanDerWaalsContact C-N 3.35Å; Y318-V320 PolarHBondContact O-N 3.21Å; V320-G323 PolarHBondContact O-N 3.14Å; V320-L324 HydrophobicContact CG1-CD1 4.36Å; V320-L324 PolarHBondContact O-N 3.24Å
321V88Confident79.8Confident0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-64.1-43.1177.2170.90000111.3L301 R317 Y318 G323 L324 L325 L354 F357 L382 I383 A386L301-V321 HydrophobicContact CD1-CG2 4.07Å; L301-V321 HydrophobicContact CD2-CG2 4.45Å; R317-V321 WeakPolarHBondContact O-CG2 3.45Å; R317-V321 PolarHBondContact O-N 3.08Å; Y318-V321 PolarHBondContact O-N 3.43Å; V321-G323 VanDerWaalsContact C-N 3.33Å; V321-G323 PolarHBondContact O-N 3.42Å; V321-L324 PolarHBondContact O-N 2.81Å; V321-L325 HydrophobicContact CG1-CD1 3.95Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CB 3.48Å; V321-L325 WeakPolarHBondContact O-CG 3.42Å; V321-L325 PolarHBondContact O-N 3Å; V321-L354 HydrophobicContact CG1-CD2 4.26Å; V321-F357 HydrophobicContact CG2-CE1 4.1Å; V321-L382 HydrophobicContact CB-CD2 4.39Å; V321-L382 HydrophobicContact CB-CG 4.47Å; V321-L382 HydrophobicContact CG2-CD2 3.74Å; V321-L382 HydrophobicContact CG2-CG 4.23Å; V321-I383 HydrophobicContact CG1-CB 4.43Å; V321-I383 HydrophobicContact CG1-CG1 3.81Å; V321-A386 HydrophobicContact CG1-CB 4.05Å
322S84.8Confident79.6Confident33 Ų3326 Ų2623%0.23113%0.13CC..Hα-helixtrans-59.3-43.2175.4-173.60000111.8Y318 T319 L325 M326Y318-S322 VanDerWaalsContact O-CB 3.28Å; Y318-S322 WeakPolarHBondContact O-CB 3.34Å; Y318-S322 PolarHBondContact O-N 3.06Å; T319-S322 PolarHBondContact O-N 2.92Å; S322-L325 PolarHBondContact O-N 3.02Å; S322-M326 PolarHBondContact O-N 3.02Å
323G86.2Confident79.1Confident0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-63.9-41.5176.500000113.5T319 V320 V321 M326 L327T319-G323 PolarHBondContact O-N 3.32Å; V320-G323 PolarHBondContact O-N 3.14Å; V321-G323 VanDerWaalsContact C-N 3.33Å; V321-G323 PolarHBondContact O-N 3.42Å; G323-M326 PolarHBondContact O-N 3.03Å; G323-L327 PolarHBondContact O-N 2.93Å
324L87.8Confident78.3Confident0 Ų026.3 Ų26.30%013%0.128CC..Hα-helixtrans-66.6-41.2175.2-74.3171.8000112.2L297 L301 V320 V321 M326 L327 A328 A350 L353 L354L297-L324 HydrophobicContact CB-CD1 4.29Å; L297-L324 HydrophobicContact CB-CD2 3.68Å; L297-L324 HydrophobicContact CB-CG 3.78Å; L297-L324 HydrophobicContact CD1-CD2 4.07Å; L297-L324 HydrophobicContact CD1-CG 4.03Å; L301-L324 HydrophobicContact CD2-CD1 3.65Å; V320-L324 HydrophobicContact CG1-CD1 4.36Å; V320-L324 PolarHBondContact O-N 3.24Å; V321-L324 PolarHBondContact O-N 2.81Å; L324-M326 VanDerWaalsContact C-N 3.33Å; L324-M326 PolarHBondContact O-N 3.07Å; L324-L327 PolarHBondContact O-N 3.37Å; L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.24Å; L324-A328 PolarHBondContact O-N 3.1Å; L324-A350 HydrophobicContact CD2-CB 4.16Å; L324-L353 HydrophobicContact CD1-CB 4.46Å; L324-L353 HydrophobicContact CD2-CD1 3.97Å; L324-L354 HydrophobicContact CB-CD1 4.3Å; L324-L354 HydrophobicContact CB-CD2 3.89Å; L324-L354 HydrophobicContact CB-CG 4.07Å; L324-L354 HydrophobicContact CD1-CD2 4.15Å
325L85.7Confident76.8Confident2 Ų224.3 Ų24.31%0.0112%0.121CC..Hα-helixtrans-59.9-43.9175.8-80.6170000111.6V321 S322 L327 A328 S329 L354 I383 A386 V424V321-L325 HydrophobicContact CG1-CD1 3.95Å; V321-L325 HydrophobicContact CG1-CG 4.39Å; V321-L325 WeakPolarHBondContact O-CB 3.48Å; V321-L325 WeakPolarHBondContact O-CG 3.42Å; V321-L325 PolarHBondContact O-N 3Å; S322-L325 PolarHBondContact O-N 3.02Å; L325-L327 PolarHBondContact O-N 2.8Å; L325-A328 PolarHBondContact O-N 2.95Å; L325-S329 WeakPolarHBondContact O-CB 3.49Å; L325-S329 PolarHBondContact O-N 3.25Å; L325-L354 HydrophobicContact CD2-CD1 3.81Å; L325-L354 HydrophobicContact CG-CD1 4.13Å; L325-I383 HydrophobicContact CD2-CG2 4.22Å; L325-A386 HydrophobicContact CD1-CB 3.72Å; L325-V424 HydrophobicContact CD2-CB 4.49Å; L325-V424 HydrophobicContact CD2-CG1 3.71Å
326M83.5Confident74.6Confident31 Ų3121.4 Ų21.415%0.15311%0.113CC..Hα-helixtrans-60.4-44.2176.6-173.759.869.500111.5I275 S322 G323 L324 S329 Q330 T417I275-M326 HydrophobicContact CD1-CB 4.17Å; I275-M326 HydrophobicContact CD1-CG 4.29Å; I275-M326 HydrophobicContact CG1-CG 4.44Å; I275-M326 HydrophobicContact CG2-CG 3.86Å; S322-M326 PolarHBondContact O-N 3.02Å; G323-M326 PolarHBondContact O-N 3.03Å; L324-M326 VanDerWaalsContact C-N 3.33Å; L324-M326 PolarHBondContact O-N 3.07Å; M326-S329 PolarHBondContact O-N 3.44Å; M326-S329 PolarHBondContact O-OG 3.14Å; M326-Q330 WeakPolarHBondContact O-CG 3.09Å; M326-T417 HydrophobicContact SD-CG2 4.21Å
327L82.9Confident72.6Confident0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-65-43175.4-69.7172.2000112.7L279 F293 A294 L297 G323 L324 L325 S329 Q330 S347 A350L279-L327 HydrophobicContact CD1-CD2 3.62Å; F293-L327 HydrophobicContact CD1-CD1 3.48Å; F293-L327 VanDerWaalsContact CD1-CD1 3.48Å; F293-L327 HydrophobicContact CD1-CD2 4.16Å; F293-L327 HydrophobicContact CD1-CG 4.18Å; F293-L327 HydrophobicContact CE1-CD1 3.9Å; F293-L327 HydrophobicContact CE1-CG 4.35Å; F293-L327 HydrophobicContact CG-CD1 4.46Å; A294-L327 HydrophobicContact CB-CD1 3.71Å; L297-L327 HydrophobicContact CD1-CD1 4.22Å; G323-L327 PolarHBondContact O-N 2.93Å; L324-L327 PolarHBondContact O-N 3.37Å; L325-L327 PolarHBondContact O-N 2.8Å; L327-S329 PolarHBondContact O-N 2.7Å; L327-Q330 WeakPolarHBondContact O-CB 3.49Å; L327-Q330 PolarHBondContact O-N 3.15Å; L327-Q330 VanDerWaalsContact O-N 3.12Å; L327-S347 WeakPolarHBondContact O-CB 3.43Å; L327-A350 HydrophobicContact CB-CB 3.91Å
328A80.9Confident70.5Confident0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-60.9-33.1177.800000112L324 L325 Q330 S331 A350 Q351 L354 V424L324-A328 VanDerWaalsContact O-CB 3.29Å; L324-A328 WeakPolarHBondContact O-CB 3.24Å; L324-A328 PolarHBondContact O-N 3.1Å; L325-A328 PolarHBondContact O-N 2.95Å; A328-Q330 VanDerWaalsContact C-N 3.28Å; A328-Q330 PolarHBondContact O-N 2.69Å; A328-S331 PolarHBondContact O-OG 3.32Å; A328-A350 HydrophobicContact CB-CB 4.01Å; A328-Q351 HydrophobicContact CB-CG 3.76Å; A328-Q351 PolarHBondContact O-NE2 3.27Å; A328-L354 HydrophobicContact CB-CD1 4.25Å; A328-V424 HydrophobicContact CB-CB 4.42Å; A328-V424 HydrophobicContact CB-CG1 3.98Å; A328-V424 HydrophobicContact CB-CG2 3.54Å
329S79.4Confident68.5Low0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-69.9-19.6177.482.60000114.1L325 M326 L327 S331 S332 G420L325-S329 WeakPolarHBondContact O-CB 3.49Å; L325-S329 PolarHBondContact O-N 3.25Å; M326-S329 PolarHBondContact O-N 3.44Å; M326-S329 PolarHBondContact O-OG 3.14Å; L327-S329 PolarHBondContact O-N 2.7Å; S329-S331 PolarHBondContact O-N 2.87Å; S329-S331 VanDerWaalsContact O-N 3.17Å; S329-S332 PolarHBondContact O-N 3.16Å; S329-G420 WeakPolarHBondContact O-CA 3.25Å
330Q74Confident66.5Low27 Ų2737.8 Ų37.813%0.12620%0.2CC..G310 helixtrans-69.6-14.5-174.5-62.9-170.6-8.500114.3M326 L327 A328 S332 L333 L343M326-Q330 WeakPolarHBondContact O-CG 3.09Å; L327-Q330 WeakPolarHBondContact O-CB 3.49Å; L327-Q330 PolarHBondContact O-N 3.15Å; L327-Q330 VanDerWaalsContact O-N 3.12Å; A328-Q330 VanDerWaalsContact C-N 3.28Å; A328-Q330 PolarHBondContact O-N 2.69Å; Q330-S332 PolarHBondContact O-N 3.14Å; Q330-S332 VanDerWaalsContact O-N 3.07Å; Q330-L333 PolarHBondContact O-N 3.33Å; Q330-L343 HydrophobicContact CB-CD2 4.13Å
331S65.7Low64.7Low49 Ų4943 Ų4334%0.34323%0.232SC..G310 helixtrans-52.7-29.9173.457.70000112.7A328 S329A328-S331 PolarHBondContact O-OG 3.32Å; S329-S331 PolarHBondContact O-N 2.87Å; S329-S331 VanDerWaalsContact O-N 3.17Å
332S56.3Low62.9Low4 Ų444.4 Ų44.43%0.02824%0.242CC..G310 helixtrans-91.6-0.7-178.1-55.30000113.8S329 Q330 R416 N423 F478S329-S332 PolarHBondContact O-N 3.16Å; Q330-S332 PolarHBondContact O-N 3.14Å; Q330-S332 VanDerWaalsContact O-N 3.07Å; S332-R416 WeakPolarHBondContact O-CB 3.37Å; S332-R416 VanDerWaalsContact O-CD 3.25Å; S332-R416 WeakPolarHBondContact O-CD 3.43Å; S332-R416 VanDerWaalsContact O-CG 3.24Å; S332-R416 WeakPolarHBondContact O-CG 3.11Å; S332-N423 PolarHBondContact OG-ND2 3.24Å; S332-F478 WeakPolarHBondContact O-CD1 3.45Å; S332-F478 WeakPolarHBondContact O-CE1 3.4Å
333L52.5Low61.4Low39 Ų3944 Ų4420%0.20424%0.237CC..SBendtrans-86.2-16.4-166-119.293.5000116.7Q330 K413 R416Q330-L333 PolarHBondContact O-N 3.33Å; L333-K413 HydrophobicContact CD2-CG 4.06Å; L333-R416 HydrophobicContact CD1-CB 4.01Å; L333-R416 HydrophobicContact CG-CB 4.09Å; L333-R416 WeakPolarHBondContact O-CD 3.47Å; L333-R416 PolarHBondContact O-NH1 3.25Å
334R49.6Very low60.3Low88 Ų8849.1 Ų49.133%0.33226%0.259SS..  trans-128.7137.6-170.4-115.2-175.7-172.8-154.35.3117.8D284 F478D284-R334 IonicContact OD1-CZ 2.94Å; D284-R334 IonicContact OD1-NH1 3.77Å; D284-R334 PolarHBondContact OD1-NH1 2.77Å; D284-R334 IonicContact OD1-NH2 2.66Å; D284-R334 IonicContact OD2-CZ 3.82Å; D284-R334 IonicContact OD2-NH1 3.21Å; D284-R334 PolarHBondContact OD2-NH1 3.29Å; D284-R334 VanDerWaalsContact OD2-NH1 3.11Å; D284-R334 IonicContact OD2-NH2 3.33Å; D284-R334 PolarHBondContact OD2-NH2 2.99Å; R334-F478 VanDerWaalsContact C-CE1 3.44Å; R334-F478 WeakPolarHBondContact O-CE1 3Å
335N44Very low59.6Low52 Ų5254.3 Ų54.328%0.27828%0.284SS..  trans-85.4-15.1174.6-75.1-9000114.8I337 S475 F478N335-I337 PolarHBondContact O-N 3.29Å; N335-S475 PolarHBondContact OD1-O 3.27Å; N335-F478 WeakPolarHBondContact OD1-CE2 3.43Å; N335-F478 WeakPolarHBondContact OD1-CZ 3.4Å
336S36.1Very low59.2Low48 Ų4854.2 Ų54.234%0.33628%0.283SS..  trans-81.7121.4-162.9680000113.8L338S336-L338 PolarHBondContact O-N 3.45Å
337I42.6Very low58.9Low126 Ų12653 Ų5365%0.64628%0.277SS*.G310 helixtrans-57.9-27.9178.5-68162.6000113.4N335 N339 H477N335-I337 PolarHBondContact O-N 3.29Å; I337-N339 PolarHBondContact O-N 3.46Å; I337-H477 VanDerWaalsContact CG1-NE2 3.31Å; I337-H477 WeakPolarHBondContact CG1-NE2 3.17Å
338L40.4Very low58.9Low156 Ų15659.5 Ų59.582%0.81731%0.306SS*.G310 helixtrans-79.4-22.8-164.3-13278.7000116S336S336-L338 PolarHBondContact O-N 3.45Å
339N42.6Very low59Low74 Ų7462 Ų6240%0.39632%0.319SS..G310 helixtrans-133.228.7-168.3-79.5-13.4000114.6D284 I337 T341D284-N339 PolarHBondContact OD1-ND2 3.4Å; I337-N339 PolarHBondContact O-N 3.46Å; N339-T341 PolarHBondContact O-N 2.91Å
340Q44Very low59.3Low64 Ų6462 Ų6230%0.29932%0.319SS..Hα-helixtrans-67.2-30.5-173.8-77.9-168.13.200115.3S342 K344Q340-S342 VanDerWaalsContact C-N 3.31Å; Q340-S342 PolarHBondContact O-N 3.2Å; Q340-K344 HydrophobicContact CB-CD 4.49Å; Q340-K344 WeakPolarHBondContact O-CB 3.32Å; Q340-K344 WeakPolarHBondContact O-CD 3.29Å; Q340-K344 VanDerWaalsContact O-CG 3.22Å; Q340-K344 WeakPolarHBondContact O-CG 3.22Å; Q340-K344 PolarHBondContact O-N 3.17Å
341T51.4Low59.8Low111 Ų11163.8 Ų63.868%0.68133%0.327SS*.Hα-helixtrans-62.4-40.7-169.847.50000111.7N339 E345N339-T341 PolarHBondContact O-N 2.91Å; T341-E345 WeakPolarHBondContact O-CG 3.27Å; T341-E345 PolarHBondContact O-N 2.88Å
342S50.6Low60.8Low29 Ų2967.2 Ų67.220%0.20334%0.336CS..Hα-helixtrans-87.2-34.4-166.167.50000114V287 Q340 K344 E345V287-S342 WeakPolarHBondContact CG1-O 3.48Å; Q340-S342 VanDerWaalsContact C-N 3.31Å; Q340-S342 PolarHBondContact O-N 3.2Å; S342-K344 VanDerWaalsContact C-N 3.34Å; S342-E345 WeakPolarHBondContact O-CB 3.5Å; S342-E345 PolarHBondContact O-N 3.42Å
343L53Low62.3Low23 Ų2368.1 Ų68.112%0.1234%0.341CS..Hα-helixtrans-70-34.5170.8-117.6101000112.5V283 V287 Q330 E345 S346 S347V283-L343 HydrophobicContact CG1-CD1 3.15Å; V283-L343 HydrophobicContact CG1-CD2 4Å; V283-L343 HydrophobicContact CG1-CG 4.14Å; V287-L343 HydrophobicContact CG2-CD1 4.11Å; Q330-L343 HydrophobicContact CB-CD2 4.13Å; L343-E345 PolarHBondContact O-N 2.85Å; L343-S346 PolarHBondContact O-N 3.01Å; L343-S346 PolarHBondContact O-OG 3.37Å; L343-S347 PolarHBondContact O-N 3.36Å; L343-S347 VanDerWaalsContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 3.13Å
344K64Low63.9Low108 Ų10866.7 Ų66.747%0.4733%0.333SS..Hα-helixtrans-56.6-36.6173.4-77.3177.5176.7174.60110Q340 S342 S347 F348Q340-K344 HydrophobicContact CB-CD 4.49Å; Q340-K344 WeakPolarHBondContact O-CB 3.32Å; Q340-K344 WeakPolarHBondContact O-CD 3.29Å; Q340-K344 VanDerWaalsContact O-CG 3.22Å; Q340-K344 WeakPolarHBondContact O-CG 3.22Å; Q340-K344 PolarHBondContact O-N 3.17Å; S342-K344 VanDerWaalsContact C-N 3.34Å; K344-S347 PolarHBondContact O-OG 3.44Å; K344-S347 VanDerWaalsContact O-OG 3.07Å; K344-F348 WeakPolarHBondContact O-CA 3.42Å; K344-F348 WeakPolarHBondContact O-CB 3.35Å; K344-F348 PolarHBondContact O-N 3.03Å
345E72.5Confident65.4Low110 Ų11065.6 Ų65.651%0.51434%0.339SS..Hα-helixtrans-58.9-49.6175.3-66.8166.7-16800113.1V291 T341 S342 L343 F348 L349V291-E345 HydrophobicContact CG2-CB 4.47Å; T341-E345 WeakPolarHBondContact O-CG 3.27Å; T341-E345 PolarHBondContact O-N 2.88Å; S342-E345 WeakPolarHBondContact O-CB 3.5Å; S342-E345 PolarHBondContact O-N 3.42Å; L343-E345 PolarHBondContact O-N 2.85Å; E345-F348 PolarHBondContact O-N 3.47Å; E345-L349 WeakPolarHBondContact O-CB 3.45Å; E345-L349 PolarHBondContact O-N 3.49Å
346S77.5Confident67.2Low0 Ų065.7 Ų65.70%034%0.339CS..Hα-helixtrans-65.1-45-17969.90000112.4S290 L343 L349 A350S290-S346 VanDerWaalsContact OG-CB 3.25Å; S290-S346 WeakPolarHBondContact OG-CB 3.31Å; S290-S346 PolarHBondContact OG-OG 3.12Å; L343-S346 PolarHBondContact O-N 3.01Å; L343-S346 PolarHBondContact O-OG 3.37Å; S346-L349 PolarHBondContact O-N 3.4Å; S346-A350 WeakPolarHBondContact O-CB 3.38Å; S346-A350 PolarHBondContact O-N 2.87Å
347S77.5Confident69.4Low4 Ų463.9 Ų63.93%0.02833%0.325CS..Hα-helixtrans-67.1-40.7178.664.30000111.9L327 L343 K344 A350 Q351L327-S347 WeakPolarHBondContact O-CB 3.43Å; L343-S347 PolarHBondContact O-N 3.36Å; L343-S347 VanDerWaalsContact O-N 3.14Å; L343-S347 PolarHBondContact O-OG 3.13Å; K344-S347 PolarHBondContact O-OG 3.44Å; K344-S347 VanDerWaalsContact O-OG 3.07Å; S347-A350 PolarHBondContact O-N 3.03Å; S347-Q351 WeakPolarHBondContact O-CB 3.43Å; S347-Q351 VanDerWaalsContact O-CG 3.27Å; S347-Q351 WeakPolarHBondContact O-CG 3.41Å; S347-Q351 PolarHBondContact O-N 3.02Å
348F81.1Confident71Confident138 Ų13858.6 Ų58.661%0.60530%0.299SS*.Hα-helixtrans-67.1-41.2175.9-179.8-100.2000111.6K344 E345 Q351 K352K344-F348 WeakPolarHBondContact O-CA 3.42Å; K344-F348 WeakPolarHBondContact O-CB 3.35Å; K344-F348 PolarHBondContact O-N 3.03Å; E345-F348 PolarHBondContact O-N 3.47Å; F348-Q351 PolarHBondContact O-N 3.37Å; F348-K352 VanDerWaalsContact O-CB 3.31Å; F348-K352 WeakPolarHBondContact O-CB 3.35Å; F348-K352 PolarHBondContact O-N 2.97Å
349L84.6Confident72.4Confident51 Ų5153.8 Ų53.827%0.26728%0.276SS..Hα-helixtrans-63.6-43.3175.2-175.2144000110.4A294 E345 S346 K352 L353A294-L349 HydrophobicContact CB-CD2 3.41Å; A294-L349 VanDerWaalsContact CB-CD2 3.41Å; E345-L349 WeakPolarHBondContact O-CB 3.45Å; E345-L349 PolarHBondContact O-N 3.49Å; S346-L349 PolarHBondContact O-N 3.4Å; L349-K352 PolarHBondContact O-N 3.03Å; L349-L353 HydrophobicContact CD2-CD1 3.45Å; L349-L353 VanDerWaalsContact CD2-CD1 3.45Å; L349-L353 HydrophobicContact CD2-CG 4.17Å; L349-L353 HydrophobicContact CG-CD1 4.37Å; L349-L353 WeakPolarHBondContact O-CB 3.47Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.34Å; L349-L353 PolarHBondContact O-N 2.96Å
350A86Confident73.6Confident0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-62.4-44.1174.700000112.3L324 L327 A328 S346 S347 K352 L353 L354L324-A350 HydrophobicContact CD2-CB 4.16Å; L327-A350 HydrophobicContact CB-CB 3.91Å; A328-A350 HydrophobicContact CB-CB 4.01Å; S346-A350 WeakPolarHBondContact O-CB 3.38Å; S346-A350 PolarHBondContact O-N 2.87Å; S347-A350 PolarHBondContact O-N 3.03Å; A350-K352 PolarHBondContact O-N 3.33Å; A350-L353 PolarHBondContact O-N 2.9Å; A350-L354 WeakPolarHBondContact O-CG 3.49Å; A350-L354 PolarHBondContact O-N 3.23Å
351Q84.8Confident74.2Confident66 Ų6651.5 Ų51.531%0.30826%0.264SS..Hα-helixtrans-60.7-44.2174.4-73.5173.310.100111.9A328 S347 F348 L354 S355 V424A328-Q351 HydrophobicContact CB-CG 3.76Å; A328-Q351 PolarHBondContact O-NE2 3.27Å; S347-Q351 WeakPolarHBondContact O-CB 3.43Å; S347-Q351 VanDerWaalsContact O-CG 3.27Å; S347-Q351 WeakPolarHBondContact O-CG 3.41Å; S347-Q351 PolarHBondContact O-N 3.02Å; F348-Q351 PolarHBondContact O-N 3.37Å; Q351-L354 PolarHBondContact O-N 3.25Å; Q351-S355 PolarHBondContact O-N 3.03Å; Q351-V424 HydrophobicContact CG-CG2 4.22Å
352K86.6Confident74.3Confident120 Ų12051.7 Ų51.752%0.52226%0.257SS..Hα-helixtrans-61-45.3175.9-177.5178.6177.5-1790111.4F348 L349 A350 L354 S355 D356F348-K352 VanDerWaalsContact O-CB 3.31Å; F348-K352 WeakPolarHBondContact O-CB 3.35Å; F348-K352 PolarHBondContact O-N 2.97Å; L349-K352 PolarHBondContact O-N 3.03Å; A350-K352 PolarHBondContact O-N 3.33Å; K352-L354 VanDerWaalsContact C-N 3.35Å; K352-L354 PolarHBondContact O-N 3.04Å; K352-S355 CarbonylContact O-C 3.56Å; K352-S355 WeakPolarHBondContact O-CB 3.43Å; K352-S355 PolarHBondContact O-N 3.38Å; K352-D356 VanDerWaalsContact O-CG 3.28Å; K352-D356 PolarHBondContact O-N 3.32Å
353L87.1Confident74.2Confident24 Ų2459.5 Ų59.513%0.12628%0.283CS..Hα-helixtrans-63.8-38.9178.5-72.8172000112.7A294 L302 L324 L349 A350 S355 D356 F357A294-L353 WeakPolarHBondContact O-CD1 3.46Å; L302-L353 HydrophobicContact CD1-CD2 3.7Å; L324-L353 HydrophobicContact CD1-CB 4.46Å; L324-L353 HydrophobicContact CD2-CD1 3.97Å; L349-L353 HydrophobicContact CD2-CD1 3.45Å; L349-L353 VanDerWaalsContact CD2-CD1 3.45Å; L349-L353 HydrophobicContact CD2-CG 4.17Å; L349-L353 HydrophobicContact CG-CD1 4.37Å; L349-L353 WeakPolarHBondContact O-CB 3.47Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.34Å; L349-L353 PolarHBondContact O-N 2.96Å; A350-L353 PolarHBondContact O-N 2.9Å; L353-S355 VanDerWaalsContact C-N 3.34Å; L353-D356 PolarHBondContact O-N 3.25Å; L353-F357 WeakPolarHBondContact O-CB 3.5Å; L353-F357 PolarHBondContact O-N 2.88Å
354L85Confident74Confident8 Ų861.4 Ų61.44%0.04229%0.293CS..Hα-helixtrans-64.6-40.3173.5-70.1171.2000111.2V321 L324 L325 A328 A350 Q351 K352 F357 T358 I383 V424V321-L354 HydrophobicContact CG1-CD2 4.26Å; L324-L354 HydrophobicContact CB-CD1 4.3Å; L324-L354 HydrophobicContact CB-CD2 3.89Å; L324-L354 HydrophobicContact CB-CG 4.07Å; L324-L354 HydrophobicContact CD1-CD2 4.15Å; L325-L354 HydrophobicContact CD2-CD1 3.81Å; L325-L354 HydrophobicContact CG-CD1 4.13Å; A328-L354 HydrophobicContact CB-CD1 4.25Å; A350-L354 WeakPolarHBondContact O-CG 3.49Å; A350-L354 PolarHBondContact O-N 3.23Å; Q351-L354 PolarHBondContact O-N 3.25Å; K352-L354 VanDerWaalsContact C-N 3.35Å; K352-L354 PolarHBondContact O-N 3.04Å; L354-F357 WeakPolarHBondContact O-CB 3.38Å; L354-F357 PolarHBondContact O-N 3.08Å; L354-T358 PolarHBondContact O-N 3.47Å; L354-I383 HydrophobicContact CB-CD1 4.25Å; L354-I383 HydrophobicContact CD2-CD1 4.09Å; L354-I383 HydrophobicContact CD2-CG1 4.09Å; L354-V424 HydrophobicContact CD1-CG1 4Å
355S82.2Confident73Confident65 Ų6559.6 Ų59.646%0.45529%0.29SS..Hα-helixtrans-67.4-36.4173.7-176.10000113.1Q351 K352 L353 F357 T358 T359Q351-S355 PolarHBondContact O-N 3.03Å; K352-S355 CarbonylContact O-C 3.56Å; K352-S355 WeakPolarHBondContact O-CB 3.43Å; K352-S355 PolarHBondContact O-N 3.38Å; L353-S355 VanDerWaalsContact C-N 3.34Å; S355-F357 VanDerWaalsContact C-N 3.3Å; S355-T358 PolarHBondContact O-N 3.22Å; S355-T358 PolarHBondContact O-OG1 3.48Å; S355-T359 VanDerWaalsContact O-CG2 3.3Å; S355-T359 WeakPolarHBondContact O-CG2 3.34Å; S355-T359 PolarHBondContact O-N 3.26Å; S355-T359 PolarHBondContact O-OG1 3.22Å
356D82.6Confident71.5Confident55 Ų5561.2 Ų61.229%0.29430%0.303SS..Hα-helixtrans-68.3-36175.9-71.1-20.1000109.9L302 K352 L353 T358 T359 I360L302-D356 HydrophobicContact CD1-CB 3.8Å; K352-D356 VanDerWaalsContact O-CG 3.28Å; K352-D356 PolarHBondContact O-N 3.32Å; L353-D356 PolarHBondContact O-N 3.25Å; D356-T358 PolarHBondContact O-N 2.88Å; D356-T359 WeakPolarHBondContact CA-OG1 3.4Å; D356-T359 PolarHBondContact O-N 3.34Å; D356-T359 PolarHBondContact O-OG1 2.85Å; D356-I360 WeakPolarHBondContact O-CB 3.42Å; D356-I360 WeakPolarHBondContact O-CD1 3.49Å; D356-I360 VanDerWaalsContact O-CG1 3.32Å; D356-I360 WeakPolarHBondContact O-CG1 3.49Å; D356-I360 PolarHBondContact O-N 3.34Å
357F81.5Confident69.9Low9 Ų965.1 Ų65.14%0.03933%0.33CS..Hα-helixtrans-63.7-39.6176.3177.8-123.7000113L301 L302 V321 L353 L354 S355 L382 I383L301-F357 HydrophobicContact CD1-CD1 4.28Å; L301-F357 HydrophobicContact CD1-CD2 3.65Å; L301-F357 HydrophobicContact CD1-CE1 4.17Å; L301-F357 HydrophobicContact CD1-CE2 3.55Å; L301-F357 HydrophobicContact CD1-CG 4.03Å; L301-F357 HydrophobicContact CD1-CZ 3.83Å; L301-F357 HydrophobicContact CD2-CB 3.67Å; L301-F357 HydrophobicContact CD2-CD1 4.04Å; L301-F357 HydrophobicContact CD2-CD2 3.96Å; L301-F357 HydrophobicContact CD2-CG 3.63Å; L301-F357 HydrophobicContact CG-CB 4.17Å; L301-F357 HydrophobicContact CG-CD1 4.44Å; L301-F357 HydrophobicContact CG-CD2 3.58Å; L301-F357 HydrophobicContact CG-CE2 4.04Å; L301-F357 HydrophobicContact CG-CG 3.82Å; L302-F357 HydrophobicContact CD2-CB 3.83Å; L302-F357 HydrophobicContact CD2-CD2 4.19Å; V321-F357 HydrophobicContact CG2-CE1 4.1Å; L353-F357 WeakPolarHBondContact O-CB 3.5Å; L353-F357 PolarHBondContact O-N 2.88Å; L354-F357 WeakPolarHBondContact O-CB 3.38Å; L354-F357 PolarHBondContact O-N 3.08Å; S355-F357 VanDerWaalsContact C-N 3.3Å; F357-L382 HydrophobicContact CE1-CD2 4.42Å; F357-L382 HydrophobicContact CZ-CD2 4.43Å; F357-I383 HydrophobicContact CD1-CD1 4.15Å; F357-I383 HydrophobicContact CD1-CG1 4.49Å
358T76Confident67.9Low15 Ų1570.3 Ų70.39%0.09236%0.357CS..Hα-helixtrans-67.5-45.3175.555.20000111.7L354 S355 D356 H361 E362 H380 I383L354-T358 PolarHBondContact O-N 3.47Å; S355-T358 PolarHBondContact O-N 3.22Å; S355-T358 PolarHBondContact O-OG1 3.48Å; D356-T358 PolarHBondContact O-N 2.88Å; T358-H361 PolarHBondContact O-N 2.8Å; T358-E362 PolarHBondContact O-N 3.49Å; T358-H380 WeakPolarHBondContact CB-NE2 3.26Å; T358-I383 HydrophobicContact CG2-CD1 3.65Å
359T70.6Confident65.8Low55 Ų5570.8 Ų70.834%0.33737%0.371SS..Hα-helixtrans-68.3-37.3-177.4590000114.5S355 D356 H361 E362 R363S355-T359 VanDerWaalsContact O-CG2 3.3Å; S355-T359 WeakPolarHBondContact O-CG2 3.34Å; S355-T359 PolarHBondContact O-N 3.26Å; S355-T359 PolarHBondContact O-OG1 3.22Å; D356-T359 WeakPolarHBondContact CA-OG1 3.4Å; D356-T359 PolarHBondContact O-N 3.34Å; D356-T359 PolarHBondContact O-OG1 2.85Å; T359-H361 VanDerWaalsContact C-N 3.32Å; T359-H361 PolarHBondContact O-N 3.32Å; T359-E362 PolarHBondContact O-N 2.94Å; T359-R363 PolarHBondContact O-N 3.5Å
360I66.6Low63.7Low56 Ų5672 Ų7229%0.28738%0.38SS..Hα-helixtrans-65.9-37.8178.8-72.4163.4000110.9L302 D356 R363 N364L302-I360 HydrophobicContact CD2-CD1 3.95Å; D356-I360 WeakPolarHBondContact O-CB 3.42Å; D356-I360 WeakPolarHBondContact O-CD1 3.49Å; D356-I360 VanDerWaalsContact O-CG1 3.32Å; D356-I360 WeakPolarHBondContact O-CG1 3.49Å; D356-I360 PolarHBondContact O-N 3.34Å; I360-R363 PolarHBondContact O-N 3.32Å; I360-N364 PolarHBondContact O-N 3.1Å
361H57.7Low61.1Low34 Ų3475.7 Ų75.716%0.15740%0.404CS..Hα-helixtrans-68-39.1178.9-124.554.6000112.1T358 T359 R363 N364 V365T358-H361 PolarHBondContact O-N 2.8Å; T359-H361 VanDerWaalsContact C-N 3.32Å; T359-H361 PolarHBondContact O-N 3.32Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.17Å; H361-N364 PolarHBondContact O-N 2.94Å; H361-V365 VanDerWaalsContact O-CG2 3.27Å; H361-V365 WeakPolarHBondContact O-CG2 3.37Å; H361-V365 PolarHBondContact O-N 3.5Å; H361-V365 VanDerWaalsContact O-N 3.11Å
362E52.2Low58.9Low115 Ų11582 Ų8254%0.53743%0.43SS..Hα-helixtrans-59.5-40.1175.2-71.5-174.6161.300112.8T358 T359 N366T358-E362 PolarHBondContact O-N 3.49Å; T359-E362 PolarHBondContact O-N 2.94Å; E362-N366 PolarHBondContact O-N 3.21Å; E362-N366 PolarHBondContact O-ND2 3.11Å
363R49.3Very low56.7Low194 Ų19481.3 Ų81.373%0.73244%0.441SS*.Hα-helixtrans-66.8-39.9177-71.8-175.1-174.2167.93.9113.1T359 I360 H361 N366 S367T359-R363 PolarHBondContact O-N 3.5Å; I360-R363 PolarHBondContact O-N 3.32Å; H361-R363 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.17Å; R363-N366 PolarHBondContact O-N 3.24Å; R363-S367 PolarHBondContact O-OG 2.88Å; R363-S367 VanDerWaalsContact O-OG 3.12Å
364N47.7Very low54.4Low63 Ų6383.6 Ų83.634%0.33745%0.453SS..Hα-helixtrans-69-34.6-179.9-77.4-12.9000112.2I360 H361 S367 L368I360-N364 PolarHBondContact O-N 3.1Å; H361-N364 PolarHBondContact O-N 2.94Å; N364-S367 PolarHBondContact O-N 3.36Å; N364-S367 PolarHBondContact O-OG 2.86Å; N364-S367 VanDerWaalsContact O-OG 3.13Å; N364-L368 PolarHBondContact O-N 3.08Å
365V43.6Very low52.2Low69 Ų6988.5 Ų88.542%0.41848%0.483SS..Hα-helixtrans-63.4-41.6175.4175.30000111.5H361 S367 F378H361-V365 VanDerWaalsContact O-CG2 3.27Å; H361-V365 WeakPolarHBondContact O-CG2 3.37Å; H361-V365 PolarHBondContact O-N 3.5Å; H361-V365 VanDerWaalsContact O-N 3.11Å; V365-S367 PolarHBondContact O-N 3.44Å; V365-F378 HydrophobicContact CG2-CD1 4.39Å; V365-F378 HydrophobicContact CG2-CE1 3.78Å
366N42.4Very low50.5Low145 Ų14586.1 Ų86.178%0.77547%0.466SS*.Hα-helixtrans-68.4-15.2-179.4-71.4-23.4000113.7E362 R363E362-N366 PolarHBondContact O-N 3.21Å; E362-N366 PolarHBondContact O-ND2 3.11Å; R363-N366 PolarHBondContact O-N 3.24Å
367S43.9Very low49.1Very low82 Ų8285.5 Ų85.557%0.57346%0.462SS*.Hα-helixtrans-108.8-12.6-174.650.90000114.7R363 N364 V365R363-S367 PolarHBondContact O-OG 2.88Å; R363-S367 VanDerWaalsContact O-OG 3.12Å; N364-S367 PolarHBondContact O-N 3.36Å; N364-S367 PolarHBondContact O-OG 2.86Å; N364-S367 VanDerWaalsContact O-OG 3.13Å; V365-S367 PolarHBondContact O-N 3.44Å
368L35.2Very low48.2Very low113 Ų11390 Ų9059%0.59248%0.482SS*.  trans-137.4132.1-172.5-80.4153.5000112.8N364 V370N364-L368 PolarHBondContact O-N 3.08Å; L368-V370 VanDerWaalsContact C-N 3.26Å; L368-V370 HydrophobicContact CB-CG2 4.02Å; L368-V370 PolarHBondContact O-N 2.84Å
369V36.7Very low48Very low147 Ų14789.4 Ų89.489%0.89148%0.478SS*.  trans-69.286.1162.9179.70000107.3P371V369-P371 WeakPolarHBondContact O-CD 3.37Å
370V39.1Very low48.2Very low77 Ų7790 Ų9047%0.46748%0.477SS..  trans-77.5124.3-179.7-175.30000109.3L368 L374L368-V370 VanDerWaalsContact C-N 3.26Å; L368-V370 HydrophobicContact CB-CG2 4.02Å; L368-V370 PolarHBondContact O-N 2.84Å; V370-L374 HydrophobicContact CG1-CB 3.73Å; V370-L374 HydrophobicContact CG1-CD1 4.02Å
371P31.8Very low48.7Very low78 Ų7890.7 Ų90.751%0.50648%0.479SS..  trans-57141.9178.3-23.531.9000112.9V369 S373 L374V369-P371 WeakPolarHBondContact O-CD 3.37Å; P371-S373 PolarHBondContact O-N 2.89Å; P371-L374 PolarHBondContact O-N 2.73Å
372K38.3Very low49.8Very low197 Ų19789.4 Ų89.486%0.85747%0.473SS*.G310 helixtrans-53.6-18.9-179.4-71.2-179.5175.7-179.90115.5L374 T375K372-L374 VanDerWaalsContact C-N 3.32Å; K372-T375 WeakPolarHBondContact O-CG2 3.37Å; K372-T375 PolarHBondContact O-OG1 3.01Å; K372-T375 VanDerWaalsContact O-OG1 3.1Å
373S42.2Very low51.2Low107 Ų10784.5 Ų84.575%0.74845%0.45SS*.G310 helixtrans-77.3-15.8176.455.30000113.7P371 T375P371-S373 PolarHBondContact O-N 2.89Å; S373-T375 VanDerWaalsContact C-N 3.3Å
374L38.3Very low52.8Low72 Ų7279.6 Ų79.638%0.37743%0.432SS..G310 helixtrans-98.341.5171.5-69.3163.2000110.3V370 P371 K372 N376V370-L374 HydrophobicContact CG1-CB 3.73Å; V370-L374 HydrophobicContact CG1-CD1 4.02Å; P371-L374 PolarHBondContact O-N 2.73Å; K372-L374 VanDerWaalsContact C-N 3.32Å; L374-N376 VanDerWaalsContact CD2-ND2 3.34Å; L374-N376 WeakPolarHBondContact CD2-ND2 3.23Å; L374-N376 WeakPolarHBondContact O-CB 3.43Å; L374-N376 PolarHBondContact O-N 3.26Å
375T37.3Very low54.5Low110 Ų11081.6 Ų81.668%0.67544%0.438SS*.  trans-65.834.7158.834.80000111.5K372 S373 L377K372-T375 WeakPolarHBondContact O-CG2 3.37Å; K372-T375 PolarHBondContact O-OG1 3.01Å; K372-T375 VanDerWaalsContact O-OG1 3.1Å; S373-T375 VanDerWaalsContact C-N 3.3Å; T375-L377 PolarHBondContact O-N 3.38Å; T375-L377 VanDerWaalsContact O-N 3.1Å
376N48.4Very low56.5Low16 Ų1678.3 Ų78.39%0.08642%0.418CS..  trans-45.3110.2158.8-82.4-12.6000107.2N309 R317 L374 F378N309-N376 PolarHBondContact O-ND2 2.94Å; R317-N376 VanDerWaalsContact NH1-CB 3.31Å; R317-N376 PolarHBondContact NH2-OD1 2.95Å; L374-N376 VanDerWaalsContact CD2-ND2 3.34Å; L374-N376 WeakPolarHBondContact CD2-ND2 3.23Å; L374-N376 WeakPolarHBondContact O-CB 3.43Å; L374-N376 PolarHBondContact O-N 3.26Å; N376-F378 PolarHBondContact O-N 3.46Å; N376-F378 VanDerWaalsContact O-N 3.16Å
377L53.2Low58.5Low41 Ų4171.4 Ų71.422%0.21538%0.381CS..  trans-39.9125-179.5-78.495.7000109.8T375 E381 L382 K385T375-L377 PolarHBondContact O-N 3.38Å; T375-L377 VanDerWaalsContact O-N 3.1Å; L377-E381 HydrophobicContact CB-CB 4.17Å; L377-E381 HydrophobicContact CD2-CB 4.01Å; L377-E381 HydrophobicContact CG-CB 4.43Å; L377-L382 HydrophobicContact CB-CB 4.11Å; L377-K385 HydrophobicContact CD2-CD 4.29Å
378F62Low60.4Low105 Ų10570.2 Ų70.246%0.46137%0.365SS..  trans-54.3154.6174.6-67.8-84.2000109.4V365 N376 H380 E381 L382V365-F378 HydrophobicContact CG2-CD1 4.39Å; V365-F378 HydrophobicContact CG2-CE1 3.78Å; N376-F378 PolarHBondContact O-N 3.46Å; N376-F378 VanDerWaalsContact O-N 3.16Å; F378-H380 PolarHBondContact O-N 3.42Å; F378-H380 VanDerWaalsContact O-N 3.13Å; F378-E381 HydrophobicContact CB-CG 4.22Å; F378-E381 PolarHBondContact N-OE2 3.2Å; F378-E381 PolarHBondContact O-N 2.77Å; F378-L382 PolarHBondContact O-N 3.17Å
379G71Confident62.7Low1 Ų167.6 Ų67.61%0.0135%0.352CS..Hα-helixtrans-51.7-42.8-176.700000113L382 I383G379-L382 PolarHBondContact O-N 3.36Å; G379-I383 WeakPolarHBondContact O-CB 3.45Å; G379-I383 WeakPolarHBondContact O-CD1 3.21Å; G379-I383 WeakPolarHBondContact O-CG1 3.49Å; G379-I383 PolarHBondContact O-N 3.16Å
380H74.5Confident64.9Low67 Ų6761 Ų6131%0.3131%0.312SS..Hα-helixtrans-61.7-46.9173.4-73.9-76.5000113.3T358 F378 L382 I383 R384 D426T358-H380 WeakPolarHBondContact CB-NE2 3.26Å; F378-H380 PolarHBondContact O-N 3.42Å; F378-H380 VanDerWaalsContact O-N 3.13Å; H380-L382 VanDerWaalsContact C-N 3.29Å; H380-L382 PolarHBondContact O-N 2.9Å; H380-I383 PolarHBondContact O-N 3.19Å; H380-R384 VanDerWaalsContact O-CB 3.29Å; H380-R384 WeakPolarHBondContact O-CB 3.49Å; H380-R384 PolarHBondContact O-N 2.81Å; H380-D426 IonicContact CE1-OD2 2.71Å; H380-D426 PolarHBondContact CE1-OD2 2.92Å; H380-D426 IonicContact ND1-OD2 3.25Å; H380-D426 PolarHBondContact ND1-OD2 2.79Å
381E76.9Confident67.1Low72 Ų7257.4 Ų57.434%0.33629%0.29SS..Hα-helixtrans-64.3-35.8-178.4-64.9-178.1154.600112.5L377 F378 K385L377-E381 HydrophobicContact CB-CB 4.17Å; L377-E381 HydrophobicContact CD2-CB 4.01Å; L377-E381 HydrophobicContact CG-CB 4.43Å; F378-E381 HydrophobicContact CB-CG 4.22Å; F378-E381 PolarHBondContact N-OE2 3.2Å; F378-E381 PolarHBondContact O-N 2.77Å; E381-K385 WeakPolarHBondContact O-CB 3.31Å; E381-K385 PolarHBondContact O-N 3.42Å
382L81.2Confident69.5Low7 Ų754.8 Ų54.84%0.03727%0.273CS..Hα-helixtrans-72.4-42.8177.7-17565.4000111.8R317 Y318 V321 F357 L377 F378 G379 H380 R384 K385 A386R317-L382 HydrophobicContact CB-CD2 3.68Å; Y318-L382 HydrophobicContact CD2-CD1 4.14Å; V321-L382 HydrophobicContact CB-CD2 4.39Å; V321-L382 HydrophobicContact CB-CG 4.47Å; V321-L382 HydrophobicContact CG2-CD2 3.74Å; V321-L382 HydrophobicContact CG2-CG 4.23Å; F357-L382 HydrophobicContact CE1-CD2 4.42Å; F357-L382 HydrophobicContact CZ-CD2 4.43Å; L377-L382 HydrophobicContact CB-CB 4.11Å; F378-L382 PolarHBondContact O-N 3.17Å; G379-L382 PolarHBondContact O-N 3.36Å; H380-L382 VanDerWaalsContact C-N 3.29Å; H380-L382 PolarHBondContact O-N 2.9Å; L382-R384 VanDerWaalsContact C-N 3.33Å; L382-K385 PolarHBondContact O-N 3.28Å; L382-A386 WeakPolarHBondContact O-CB 3.4Å; L382-A386 PolarHBondContact O-N 3.27Å
383I83.2Confident71.7Confident11 Ų1151.1 Ų51.16%0.05626%0.259CS..Hα-helixtrans-58.7-48173.4-71.7169.1000109.9V321 L325 L354 F357 T358 G379 H380 K385 A386 G387 L425V321-I383 HydrophobicContact CG1-CB 4.43Å; V321-I383 HydrophobicContact CG1-CG1 3.81Å; L325-I383 HydrophobicContact CD2-CG2 4.22Å; L354-I383 HydrophobicContact CB-CD1 4.25Å; L354-I383 HydrophobicContact CD2-CD1 4.09Å; L354-I383 HydrophobicContact CD2-CG1 4.09Å; F357-I383 HydrophobicContact CD1-CD1 4.15Å; F357-I383 HydrophobicContact CD1-CG1 4.49Å; T358-I383 HydrophobicContact CG2-CD1 3.65Å; G379-I383 WeakPolarHBondContact O-CB 3.45Å; G379-I383 WeakPolarHBondContact O-CD1 3.21Å; G379-I383 WeakPolarHBondContact O-CG1 3.49Å; G379-I383 PolarHBondContact O-N 3.16Å; H380-I383 PolarHBondContact O-N 3.19Å; I383-K385 PolarHBondContact O-N 3.16Å; I383-A386 PolarHBondContact O-N 3.09Å; I383-G387 PolarHBondContact O-N 3.49Å; I383-L425 HydrophobicContact CG2-CD2 4.39Å
384R82.2Confident73.5Confident91 Ų9146.9 Ų46.934%0.34323%0.228SC..Hα-helixtrans-56.1-50.6175.8-176.8-177.764.2-173.8-4.5111.6H380 L382 G387 F388 D429H380-R384 VanDerWaalsContact O-CB 3.29Å; H380-R384 WeakPolarHBondContact O-CB 3.49Å; H380-R384 PolarHBondContact O-N 2.81Å; L382-R384 VanDerWaalsContact C-N 3.33Å; R384-G387 PolarHBondContact O-N 3.03Å; R384-F388 VanDerWaalsContact O-CB 3.29Å; R384-F388 WeakPolarHBondContact O-CB 3.42Å; R384-F388 PolarHBondContact O-N 3.47Å; R384-D429 HydrophobicContact CB-CB 4.41Å; R384-D429 VanDerWaalsContact CB-OD1 3.29Å; R384-D429 WeakPolarHBondContact CB-OD1 3.49Å; R384-D429 VanDerWaalsContact CD-OD1 3.26Å; R384-D429 WeakPolarHBondContact CD-OD1 3.28Å; R384-D429 HydrophobicContact CG-CB 4.02Å; R384-D429 VanDerWaalsContact CG-OD1 3.23Å; R384-D429 WeakPolarHBondContact CG-OD1 3.43Å
385K83.9Confident75.4Confident105 Ų10543.7 Ų43.746%0.45721%0.211SC..Hα-helixtrans-60.2-51.8-179.3-176.6178.6178-178.70111.3Y318 L377 E381 L382 I383 G387 F388 D389Y318-K385 HydrophobicContact CE2-CG 4.42Å; L377-K385 HydrophobicContact CD2-CD 4.29Å; E381-K385 WeakPolarHBondContact O-CB 3.31Å; E381-K385 PolarHBondContact O-N 3.42Å; L382-K385 PolarHBondContact O-N 3.28Å; I383-K385 PolarHBondContact O-N 3.16Å; K385-G387 VanDerWaalsContact C-N 3.33Å; K385-G387 PolarHBondContact O-N 3.39Å; K385-F388 PolarHBondContact O-N 3.18Å; K385-D389 WeakPolarHBondContact O-CB 3.34Å; K385-D389 VanDerWaalsContact O-CG 3.22Å; K385-D389 PolarHBondContact O-N 2.98Å
386A85Confident77.6Confident0 Ų042.4 Ų42.40%020%0.2CC..Hα-helixtrans-63.5-38.9-179.800000112.4Y318 V321 L325 L382 I383 S390Y318-A386 HydrophobicContact CD2-CB 4.15Å; Y318-A386 HydrophobicContact CE2-CB 3.76Å; V321-A386 HydrophobicContact CG1-CB 4.05Å; L325-A386 HydrophobicContact CD1-CB 3.72Å; L382-A386 WeakPolarHBondContact O-CB 3.4Å; L382-A386 PolarHBondContact O-N 3.27Å; I383-A386 PolarHBondContact O-N 3.09Å; A386-S390 VanDerWaalsContact O-CB 3.32Å; A386-S390 WeakPolarHBondContact O-CB 3.4Å; A386-S390 PolarHBondContact O-N 3.09Å
387G84.3Confident79Confident0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-65.6-42.6175.300000112.7I383 R384 K385 L391I383-G387 PolarHBondContact O-N 3.49Å; R384-G387 PolarHBondContact O-N 3.03Å; K385-G387 VanDerWaalsContact C-N 3.33Å; K385-G387 PolarHBondContact O-N 3.39Å; G387-L391 WeakPolarHBondContact O-CB 3.39Å; G387-L391 VanDerWaalsContact O-CG 3.29Å; G387-L391 WeakPolarHBondContact O-CG 3.32Å; G387-L391 PolarHBondContact O-N 3.12Å
388F83.6Confident80.2Confident57 Ų5743.1 Ų43.125%0.2520%0.201CC..Hα-helixtrans-65.5-44176.3-176.8-93.6000112.2R384 K385 L391 T392 F433 S436R384-F388 VanDerWaalsContact O-CB 3.29Å; R384-F388 WeakPolarHBondContact O-CB 3.42Å; R384-F388 PolarHBondContact O-N 3.47Å; K385-F388 PolarHBondContact O-N 3.18Å; F388-L391 PolarHBondContact O-N 2.9Å; F388-T392 VanDerWaalsContact O-CB 3.28Å; F388-T392 WeakPolarHBondContact O-CB 3.45Å; F388-T392 PolarHBondContact O-N 3.35Å; F388-T392 PolarHBondContact O-OG1 3.28Å; F388-F433 HydrophobicContact CD2-CB 4.12Å; F388-F433 AromaticContact CD2-CD2 3.8Å; F388-F433 HydrophobicContact CD2-CD2 3.8Å; F388-F433 HydrophobicContact CD2-CG 4.47Å; F388-F433 HydrophobicContact CE2-CB 4.33Å; F388-F433 AromaticContact CE2-CD2 3.66Å; F388-F433 HydrophobicContact CE2-CD2 3.66Å; F388-F433 HydrophobicContact CE2-CG 4.46Å; F388-S436 WeakPolarHBondContact CE2-OG 3.49Å
389D84.6Confident80.8Confident59 Ų5940.2 Ų40.232%0.31619%0.19SC..Hα-helixtrans-62.1-45.3177.6-70.4-18.1000110.4Y318 K385 T392 E393Y318-D389 WeakPolarHBondContact OH-CB 3.47Å; Y318-D389 PolarHBondContact OH-OD2 3.02Å; K385-D389 WeakPolarHBondContact O-CB 3.34Å; K385-D389 VanDerWaalsContact O-CG 3.22Å; K385-D389 PolarHBondContact O-N 2.98Å; D389-T392 PolarHBondContact O-N 3.02Å; D389-E393 PolarHBondContact O-N 3.48Å
390S82.9Confident81.1Confident8 Ų843.2 Ų43.26%0.05622%0.22CC..Hα-helixtrans-62.8-46.6175.5179.10000112.5A386 T392 E393 Q394 H421A386-S390 VanDerWaalsContact O-CB 3.32Å; A386-S390 WeakPolarHBondContact O-CB 3.4Å; A386-S390 PolarHBondContact O-N 3.09Å; S390-T392 VanDerWaalsContact C-N 3.33Å; S390-T392 PolarHBondContact O-N 3Å; S390-E393 PolarHBondContact O-N 3.48Å; S390-Q394 WeakPolarHBondContact O-CG 3.28Å; S390-Q394 PolarHBondContact O-N 3.18Å; S390-H421 PolarHBondContact OG-CE1 3.32Å; S390-H421 VanDerWaalsContact OG-CE1 3.31Å; S390-H421 PolarHBondContact OG-NE2 3.43Å
391L83.6Confident80.8Confident1 Ų142.8 Ų42.81%0.00522%0.219CC..Hα-helixtrans-58.6-47.8175.7-79.1172.8000110.6G387 F388 E393 Q394 V395 I418 H421 L422 L425 F433G387-L391 WeakPolarHBondContact O-CB 3.39Å; G387-L391 VanDerWaalsContact O-CG 3.29Å; G387-L391 WeakPolarHBondContact O-CG 3.32Å; G387-L391 PolarHBondContact O-N 3.12Å; F388-L391 PolarHBondContact O-N 2.9Å; L391-E393 VanDerWaalsContact C-N 3.3Å; L391-E393 PolarHBondContact O-N 3.26Å; L391-Q394 PolarHBondContact O-N 3.4Å; L391-Q394 VanDerWaalsContact O-N 3.14Å; L391-V395 WeakPolarHBondContact O-CB 3.45Å; L391-V395 VanDerWaalsContact O-CG2 3.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.42Å; L391-V395 PolarHBondContact O-N 3.21Å; L391-I418 HydrophobicContact CD2-CG2 4.06Å; L391-H421 HydrophobicContact CD2-CB 3.73Å; L391-H421 HydrophobicContact CG-CB 4.1Å; L391-L422 HydrophobicContact CD1-CD2 4.07Å; L391-L422 HydrophobicContact CD2-CD2 4.49Å; L391-L422 HydrophobicContact CD2-CG 4.37Å; L391-L425 HydrophobicContact CD1-CD1 3.65Å; L391-F433 HydrophobicContact CB-CE2 4.38Å; L391-F433 HydrophobicContact CD1-CD2 4.36Å; L391-F433 HydrophobicContact CD1-CG 4.47Å
392T82.7Confident80.1Confident24 Ų2439.9 Ų39.915%0.14721%0.206CC..Hα-helixtrans-60.2-40.2179.5-59.20000111.5F388 D389 S390 V395 N396 T439F388-T392 VanDerWaalsContact O-CB 3.28Å; F388-T392 WeakPolarHBondContact O-CB 3.45Å; F388-T392 PolarHBondContact O-N 3.35Å; F388-T392 PolarHBondContact O-OG1 3.28Å; D389-T392 PolarHBondContact O-N 3.02Å; S390-T392 VanDerWaalsContact C-N 3.33Å; S390-T392 PolarHBondContact O-N 3Å; T392-V395 PolarHBondContact O-N 3.12Å; T392-N396 WeakPolarHBondContact CG2-ND2 3.46Å; T392-N396 VanDerWaalsContact O-CB 3.28Å; T392-N396 WeakPolarHBondContact O-CB 3.12Å; T392-N396 PolarHBondContact O-N 3.27Å; T392-N396 PolarHBondContact O-ND2 2.86Å; T392-T439 HydrophobicContact CG2-CG2 4.45Å
393E84.5Confident79.1Confident120 Ų12048.4 Ų48.456%0.56124%0.242SC*.Hα-helixtrans-61.7-48.1173.2-170.7-171.1162.200111.9D389 S390 L391 V395 N396 F397D389-E393 PolarHBondContact O-N 3.48Å; S390-E393 PolarHBondContact O-N 3.48Å; L391-E393 VanDerWaalsContact C-N 3.3Å; L391-E393 PolarHBondContact O-N 3.26Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 2.88Å; E393-N396 PolarHBondContact O-N 3.46Å; E393-F397 WeakPolarHBondContact O-CB 3.38Å; E393-F397 PolarHBondContact O-N 3.16Å
394Q80.4Confident78.3Confident18 Ų1850.5 Ų50.58%0.08426%0.258CS..Hα-helixtrans-62.8-39.8178.2-64.4-54.1-37.700112S390 L391 L398 R414 T417 I418S390-Q394 WeakPolarHBondContact O-CG 3.28Å; S390-Q394 PolarHBondContact O-N 3.18Å; L391-Q394 PolarHBondContact O-N 3.4Å; L391-Q394 VanDerWaalsContact O-N 3.14Å; Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 PolarHBondContact O-N 2.93Å; Q394-R414 VanDerWaalsContact OE1-NH1 3.14Å; Q394-T417 HydrophobicContact CG-CG2 4.27Å; Q394-I418 HydrophobicContact CB-CD1 4.06Å; Q394-I418 HydrophobicContact CB-CG1 3.75Å; Q394-I418 HydrophobicContact CG-CG1 4.4Å
395V78.6Confident77Confident5 Ų555 Ų553%0.0329%0.288CS..Hα-helixtrans-64.8-50.1176.2169.40000111.3L391 T392 E393 F397 L398 L399 F443L391-V395 WeakPolarHBondContact O-CB 3.45Å; L391-V395 VanDerWaalsContact O-CG2 3.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.42Å; L391-V395 PolarHBondContact O-N 3.21Å; T392-V395 PolarHBondContact O-N 3.12Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 2.88Å; V395-F397 PolarHBondContact O-N 3.42Å; V395-L398 WeakPolarHBondContact O-CB 3.35Å; V395-L398 PolarHBondContact O-N 3.4Å; V395-L398 VanDerWaalsContact O-N 3.15Å; V395-L399 HydrophobicContact CG1-CD1 3.86Å; V395-L399 HydrophobicContact CG1-CG 4.49Å; V395-L399 WeakPolarHBondContact O-CG 3.37Å; V395-L399 PolarHBondContact O-N 3.31Å; V395-F443 HydrophobicContact CB-CD2 4.1Å; V395-F443 HydrophobicContact CG1-CB 3.89Å; V395-F443 HydrophobicContact CG1-CD2 3.84Å; V395-F443 HydrophobicContact CG1-CG 4.3Å; V395-F443 HydrophobicContact CG2-CB 4.21Å; V395-F443 HydrophobicContact CG2-CD2 3.22Å; V395-F443 HydrophobicContact CG2-CE2 3.67Å; V395-F443 HydrophobicContact CG2-CG 3.86Å
396N81.9Confident76.1Confident83 Ų8351.5 Ų51.544%0.44427%0.274SS..Hα-helixtrans-62.2-35.8180-74.9-26.7000111.6T392 E393 L399 G400T392-N396 WeakPolarHBondContact CG2-ND2 3.46Å; T392-N396 VanDerWaalsContact O-CB 3.28Å; T392-N396 WeakPolarHBondContact O-CB 3.12Å; T392-N396 PolarHBondContact O-N 3.27Å; T392-N396 PolarHBondContact O-ND2 2.86Å; E393-N396 PolarHBondContact O-N 3.46Å; N396-L399 PolarHBondContact O-N 2.95Å; N396-G400 PolarHBondContact O-N 3.49Å
397F78.8Confident75.6Confident70 Ų7056.3 Ų56.331%0.30730%0.3SS..Hα-helixtrans-65-47.5173.1-172.1-79.4000112E393 V395 L399 G400 Q401 R414E393-F397 WeakPolarHBondContact O-CB 3.38Å; E393-F397 PolarHBondContact O-N 3.16Å; V395-F397 PolarHBondContact O-N 3.42Å; F397-L399 VanDerWaalsContact C-N 3.26Å; F397-L399 PolarHBondContact O-N 3.18Å; F397-G400 PolarHBondContact O-N 2.82Å; F397-Q401 HydrophobicContact CD1-CG 4.18Å; F397-Q401 HydrophobicContact CE1-CB 4.42Å; F397-Q401 HydrophobicContact CE1-CG 3.69Å; F397-Q401 HydrophobicContact CZ-CG 3.93Å; F397-Q401 PolarHBondContact O-N 3.14Å; F397-R414 VanDerWaalsContact CD1-NE 3.28Å; F397-R414 VanDerWaalsContact CZ-CZ 3.43Å
398L77.5Confident75.5Confident2 Ų258.5 Ų58.51%0.0131%0.31CS..Hα-helixtrans-55.7-42.6175.4-109.4141.8000111.6Q394 V395 L402 L411 R414 I418 F450Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 PolarHBondContact O-N 2.93Å; V395-L398 WeakPolarHBondContact O-CB 3.35Å; V395-L398 PolarHBondContact O-N 3.4Å; V395-L398 VanDerWaalsContact O-N 3.15Å; L398-L402 PolarHBondContact O-N 3.44Å; L398-L411 HydrophobicContact CD2-CD1 3.55Å; L398-R414 HydrophobicContact CD1-CB 4.38Å; L398-I418 HydrophobicContact CD1-CD1 3.3Å; L398-F450 HydrophobicContact CD2-CD2 3.99Å; L398-F450 HydrophobicContact CD2-CE2 3.25Å; L398-F450 HydrophobicContact CD2-CZ 3.75Å
399L75.7Confident75.3Confident44 Ų4458.5 Ų58.523%0.2332%0.318CS..Hα-helixtrans-66-45.3175.8-78.4166.7000112.6V395 N396 F397 Q401 L402 R442 A446V395-L399 HydrophobicContact CG1-CD1 3.86Å; V395-L399 HydrophobicContact CG1-CG 4.49Å; V395-L399 WeakPolarHBondContact O-CG 3.37Å; V395-L399 PolarHBondContact O-N 3.31Å; N396-L399 PolarHBondContact O-N 2.95Å; F397-L399 VanDerWaalsContact C-N 3.26Å; F397-L399 PolarHBondContact O-N 3.18Å; L399-Q401 PolarHBondContact O-N 2.9Å; L399-L402 HydrophobicContact CD2-CD1 4.25Å; L399-L402 PolarHBondContact O-N 2.83Å; L399-R442 HydrophobicContact CD1-CB 3.97Å; L399-A446 HydrophobicContact CD2-CB 3.54Å; L399-A446 HydrophobicContact CG-CB 4.04Å
400G76.7Confident75Confident63 Ų6359.5 Ų59.565%0.64932%0.32SS*.Hα-helixtrans-63.7-26.3179.700000113.2N396 F397N396-G400 PolarHBondContact O-N 3.49Å; F397-G400 PolarHBondContact O-N 2.82Å
401Q68.8Low75Confident59 Ų5959.4 Ų59.428%0.27632%0.319SS..Hα-helixtrans-102.3-1.1-177-67.3-149.3-22.700115.4F397 L399 F403 S404 L406F397-Q401 HydrophobicContact CD1-CG 4.18Å; F397-Q401 HydrophobicContact CE1-CB 4.42Å; F397-Q401 HydrophobicContact CE1-CG 3.69Å; F397-Q401 HydrophobicContact CZ-CG 3.93Å; F397-Q401 PolarHBondContact O-N 3.14Å; L399-Q401 PolarHBondContact O-N 2.9Å; Q401-F403 PolarHBondContact O-N 2.98Å; Q401-S404 VanDerWaalsContact CA-OG 3.29Å; Q401-S404 WeakPolarHBondContact CA-OG 3.38Å; Q401-S404 WeakPolarHBondContact CB-OG 3.48Å; Q401-S404 PolarHBondContact O-N 3.19Å; Q401-S404 PolarHBondContact O-OG 3.3Å; Q401-L406 HydrophobicContact CB-CD1 3.55Å; Q401-L406 HydrophobicContact CB-CG 3.9Å
402L61.4Low74.9Confident11 Ų1160.3 Ų60.36%0.05832%0.323CS..THydrogen-bonded Turntrans-52.4-31.9178.8-110.3161.6000113.6L398 L399 A446 K449 F450L398-L402 PolarHBondContact O-N 3.44Å; L399-L402 HydrophobicContact CD2-CD1 4.25Å; L399-L402 PolarHBondContact O-N 2.83Å; L402-A446 HydrophobicContact CD1-CB 4.04Å; L402-K449 HydrophobicContact CD1-CB 4.42Å; L402-K449 HydrophobicContact CD1-CD 4.3Å; L402-K449 HydrophobicContact CD2-CB 4.03Å; L402-F450 HydrophobicContact CD1-CE2 4.16Å; L402-F450 HydrophobicContact CD2-CD1 4.16Å; L402-F450 HydrophobicContact CD2-CD2 4.05Å; L402-F450 HydrophobicContact CD2-CE1 3.88Å; L402-F450 HydrophobicContact CD2-CE2 3.72Å; L402-F450 HydrophobicContact CD2-CG 4.24Å; L402-F450 HydrophobicContact CD2-CZ 3.64Å; L402-F450 HydrophobicContact CG-CD2 4.34Å; L402-F450 HydrophobicContact CG-CE1 4.3Å; L402-F450 HydrophobicContact CG-CE2 3.59Å; L402-F450 HydrophobicContact CG-CZ 3.58Å
403F61Low74.8Confident185 Ų18561.7 Ų61.781%0.81133%0.327SS*.THydrogen-bonded Turntrans-98.6-7.2-179.4-58.7-70.1000114.2Q401Q401-F403 PolarHBondContact O-N 2.98Å
404S65.5Low74.6Confident56 Ų5658.4 Ų58.439%0.39231%0.31SS..SBendtrans-94.6144.3169.960.20000109.3Q401 L406Q401-S404 VanDerWaalsContact CA-OG 3.29Å; Q401-S404 WeakPolarHBondContact CA-OG 3.38Å; Q401-S404 WeakPolarHBondContact CB-OG 3.48Å; Q401-S404 PolarHBondContact O-N 3.19Å; Q401-S404 PolarHBondContact O-OG 3.3Å; S404-L406 PolarHBondContact O-N 2.93Å
405L56.3Low74.9Confident186 Ų18657.6 Ų57.697%0.97431%0.306SS*.  trans-63.386.4173.4-80.2153.9000109.9D407L405-D407 PolarHBondContact O-N 3.3Å
406L63.4Low75.1Confident31 Ų3158.8 Ų58.816%0.16231%0.31CS..  trans-62.5128.7165.1-97.3156.4000107.9Q401 S404 E408 Q410 F450Q401-L406 HydrophobicContact CB-CD1 3.55Å; Q401-L406 HydrophobicContact CB-CG 3.9Å; S404-L406 PolarHBondContact O-N 2.93Å; L406-E408 PolarHBondContact O-N 3.4Å; L406-Q410 HydrophobicContact CD2-CB 3.97Å; L406-F450 HydrophobicContact CD1-CZ 4.27Å
407D75.3Confident75.1Confident101 Ų10155.4 Ų55.454%0.5429%0.292SS..  trans-60.4130161.2-179.412.9000108.1L405 S409 Q410 L411L405-D407 PolarHBondContact O-N 3.3Å; D407-S409 VanDerWaalsContact CG-OG 3.22Å; D407-S409 PolarHBondContact O-N 3.05Å; D407-S409 VanDerWaalsContact O-N 3.11Å; D407-S409 PolarHBondContact OD1-N 3.44Å; D407-S409 PolarHBondContact OD2-OG 2.7Å; D407-Q410 HydrophobicContact CB-CG 4.17Å; D407-Q410 WeakPolarHBondContact O-CA 3.43Å; D407-Q410 WeakPolarHBondContact O-CB 3.4Å; D407-Q410 PolarHBondContact O-N 2.72Å; D407-L411 PolarHBondContact O-N 2.98Å; D407-L411 VanDerWaalsContact O-N 3.15Å
408E81.2Confident75.5Confident45 Ų4552.1 Ų52.121%0.2128%0.278CS..Hα-helixtrans-55.1-32.5-178.7177.1161.2-156.300111.3L406 Q410 L411 Q412 F497 R498 D499 T502L406-E408 PolarHBondContact O-N 3.4Å; E408-Q410 VanDerWaalsContact C-N 3.32Å; E408-Q410 PolarHBondContact O-N 2.93Å; E408-L411 PolarHBondContact O-N 3.28Å; E408-Q412 WeakPolarHBondContact O-CG 3.23Å; E408-Q412 PolarHBondContact O-N 2.86Å; E408-F497 HydrophobicContact CG-CB 4.38Å; E408-F497 WeakPolarHBondContact OE1-CB 3.29Å; E408-R498 PolarHBondContact OE1-N 2.94Å; E408-R498 PolarHBondContact OE2-N 2.77Å; E408-D499 WeakPolarHBondContact OE1-CA 3.37Å; E408-D499 WeakPolarHBondContact OE1-CB 3.34Å; E408-D499 PolarHBondContact OE1-N 3.21Å; E408-T502 PolarHBondContact OE1-OG1 3.47Å; E408-T502 VanDerWaalsContact OE1-OG1 3.04Å
409S80.2Confident75.9Confident58 Ų5852.5 Ų52.541%0.40628%0.28SS..Hα-helixtrans-60.3-39.1174.781.50000112.9D407 K413D407-S409 VanDerWaalsContact CG-OG 3.22Å; D407-S409 PolarHBondContact O-N 3.05Å; D407-S409 VanDerWaalsContact O-N 3.11Å; D407-S409 PolarHBondContact OD1-N 3.44Å; D407-S409 PolarHBondContact OD2-OG 2.7Å; S409-K413 WeakPolarHBondContact O-CB 3.42Å; S409-K413 PolarHBondContact O-N 2.87Å
410Q78.2Confident76.2Confident80 Ų8050.4 Ų50.437%0.37427%0.269SS..Hα-helixtrans-74.9-39.5179.6-64.8-63.2-27.900111.3L406 D407 E408 K413 R414L406-Q410 HydrophobicContact CD2-CB 3.97Å; D407-Q410 HydrophobicContact CB-CG 4.17Å; D407-Q410 WeakPolarHBondContact O-CA 3.43Å; D407-Q410 WeakPolarHBondContact O-CB 3.4Å; D407-Q410 PolarHBondContact O-N 2.72Å; E408-Q410 VanDerWaalsContact C-N 3.32Å; E408-Q410 PolarHBondContact O-N 2.93Å; Q410-K413 PolarHBondContact O-N 2.92Å; Q410-R414 WeakPolarHBondContact O-CG 3.23Å; Q410-R414 PolarHBondContact O-N 2.94Å
411L82.8Confident76.6Confident6 Ų647.4 Ų47.43%0.03124%0.238CC..Hα-helixtrans-58.4-51.2172.5176.561.3000110.5L398 D407 E408 K413 R414 L415 F450 T502L398-L411 HydrophobicContact CD2-CD1 3.55Å; D407-L411 PolarHBondContact O-N 2.98Å; D407-L411 VanDerWaalsContact O-N 3.15Å; E408-L411 PolarHBondContact O-N 3.28Å; L411-K413 PolarHBondContact O-N 3.32Å; L411-R414 PolarHBondContact O-N 3.48Å; L411-L415 HydrophobicContact CD1-CD1 4.08Å; L411-L415 HydrophobicContact CD1-CG 4.16Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.08Å; L411-F450 HydrophobicContact CD1-CD1 4.45Å; L411-F450 HydrophobicContact CD1-CE1 4.12Å; L411-F450 HydrophobicContact CD1-CE2 4.44Å; L411-F450 HydrophobicContact CD1-CZ 4.12Å; L411-F450 HydrophobicContact CD2-CD1 3.99Å; L411-F450 HydrophobicContact CD2-CE1 4.1Å; L411-T502 HydrophobicContact CD2-CG2 3.85Å; L411-T502 HydrophobicContact CG-CG2 4.36Å
412Q82.9Confident77.4Confident19 Ų1944.7 Ų44.79%0.08923%0.225CC..Hα-helixtrans-60.1-42.9177.2-71.3-178.89.100112.4E408 R414 L415 R416 D499 S501 T502 L505E408-Q412 WeakPolarHBondContact O-CG 3.23Å; E408-Q412 PolarHBondContact O-N 2.86Å; Q412-R414 VanDerWaalsContact C-N 3.29Å; Q412-R414 PolarHBondContact O-N 2.68Å; Q412-L415 PolarHBondContact O-N 3.04Å; Q412-R416 WeakPolarHBondContact O-CB 3.4Å; Q412-R416 VanDerWaalsContact O-CG 3.28Å; Q412-R416 WeakPolarHBondContact O-CG 3.28Å; Q412-R416 PolarHBondContact O-N 3.29Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.15Å; Q412-D499 PolarHBondContact NE2-OD2 3.43Å; Q412-S501 PolarHBondContact NE2-OG 3.44Å; Q412-T502 WeakPolarHBondContact CG-OG1 3.45Å; Q412-T502 PolarHBondContact NE2-OG1 3.18Å; Q412-L505 HydrophobicContact CB-CD1 4.08Å; Q412-L505 HydrophobicContact CG-CD1 4.16Å
413K78.8Confident78.5Confident53 Ų5347.2 Ų47.223%0.2324%0.239CC..Hα-helixtrans-55.5-45.7176.1-173.2-173.5178.6-169.10111E280 L333 S409 Q410 L411 R416 T417E280-K413 VanDerWaalsContact CD-NZ 3.25Å; E280-K413 IonicContact OE1-NZ 2.66Å; E280-K413 PolarHBondContact OE1-NZ 2.89Å; E280-K413 IonicContact OE2-NZ 3.14Å; L333-K413 HydrophobicContact CD2-CG 4.06Å; S409-K413 WeakPolarHBondContact O-CB 3.42Å; S409-K413 PolarHBondContact O-N 2.87Å; Q410-K413 PolarHBondContact O-N 2.92Å; L411-K413 PolarHBondContact O-N 3.32Å; K413-R416 WeakPolarHBondContact O-CB 3.16Å; K413-R416 PolarHBondContact O-N 2.94Å; K413-T417 PolarHBondContact O-N 3.45Å; K413-T417 PolarHBondContact O-OG1 3.37Å; K413-T417 VanDerWaalsContact O-OG1 3.12Å
414R81.6Confident79.5Confident51 Ų5139.7 Ų39.719%0.19221%0.208CC..Hα-helixtrans-70.9-42.8-179.4-70.6178.3-178.1-83.5-0.2113.2Q394 F397 L398 Q410 L411 Q412 R416 T417 I418Q394-R414 VanDerWaalsContact OE1-NH1 3.14Å; F397-R414 VanDerWaalsContact CD1-NE 3.28Å; F397-R414 VanDerWaalsContact CZ-CZ 3.43Å; L398-R414 HydrophobicContact CD1-CB 4.38Å; Q410-R414 WeakPolarHBondContact O-CG 3.23Å; Q410-R414 PolarHBondContact O-N 2.94Å; L411-R414 PolarHBondContact O-N 3.48Å; Q412-R414 VanDerWaalsContact C-N 3.29Å; Q412-R414 PolarHBondContact O-N 2.68Å; R414-R416 PolarHBondContact O-N 3.09Å; R414-T417 WeakPolarHBondContact O-CB 3.29Å; R414-T417 PolarHBondContact O-N 2.94Å; R414-T417 VanDerWaalsContact O-N 3.09Å; R414-I418 WeakPolarHBondContact O-CG1 3.3Å; R414-I418 PolarHBondContact O-N 3.06Å
415L86.8Confident80.5Confident1 Ų137.6 Ų37.61%0.00519%0.192CC..Hα-helixtrans-58.4-39.8173.6-69.1171.2000110.9L411 Q412 I418 L419 L447 T502 L505 I506 I509L411-L415 HydrophobicContact CD1-CD1 4.08Å; L411-L415 HydrophobicContact CD1-CG 4.16Å; L411-L415 HydrophobicContact CG-CD1 3.95Å; L411-L415 HydrophobicContact CG-CG 4.45Å; L411-L415 WeakPolarHBondContact O-CG 3.45Å; L411-L415 PolarHBondContact O-N 3.08Å; Q412-L415 PolarHBondContact O-N 3.04Å; L415-I418 PolarHBondContact O-N 3.39Å; L415-L419 WeakPolarHBondContact O-CB 3.39Å; L415-L419 PolarHBondContact O-N 3.05Å; L415-L447 HydrophobicContact CD2-CD2 4.04Å; L415-T502 HydrophobicContact CD1-CG2 3.98Å; L415-L505 HydrophobicContact CB-CB 4.14Å; L415-L505 HydrophobicContact CB-CD1 4.34Å; L415-L505 HydrophobicContact CD1-CB 4.31Å; L415-I506 HydrophobicContact CD1-CD1 4.31Å; L415-I506 HydrophobicContact CD1-CG1 3.77Å; L415-I506 HydrophobicContact CD2-CG1 4.08Å; L415-I509 HydrophobicContact CB-CD1 4.05Å; L415-I509 HydrophobicContact CD2-CD1 3.68Å; L415-I509 HydrophobicContact CG-CD1 4.47Å
416R83.1Confident81.7Confident30 Ų3032.1 Ų32.111%0.11316%0.164CC..Hα-helixtrans-65.3-40.4173.3-71.7177.6-162.8149.312112.8S332 L333 Q412 K413 R414 L419 G420 F478 L505S332-R416 WeakPolarHBondContact O-CB 3.37Å; S332-R416 VanDerWaalsContact O-CD 3.25Å; S332-R416 WeakPolarHBondContact O-CD 3.43Å; S332-R416 VanDerWaalsContact O-CG 3.24Å; S332-R416 WeakPolarHBondContact O-CG 3.11Å; L333-R416 HydrophobicContact CD1-CB 4.01Å; L333-R416 HydrophobicContact CG-CB 4.09Å; L333-R416 WeakPolarHBondContact O-CD 3.47Å; L333-R416 PolarHBondContact O-NH1 3.25Å; Q412-R416 WeakPolarHBondContact O-CB 3.4Å; Q412-R416 VanDerWaalsContact O-CG 3.28Å; Q412-R416 WeakPolarHBondContact O-CG 3.28Å; Q412-R416 PolarHBondContact O-N 3.29Å; Q412-R416 VanDerWaalsContact OE1-NH2 3.15Å; K413-R416 WeakPolarHBondContact O-CB 3.16Å; K413-R416 PolarHBondContact O-N 2.94Å; R414-R416 PolarHBondContact O-N 3.09Å; R416-L419 PolarHBondContact O-N 3.48Å; R416-G420 PolarHBondContact O-N 3.16Å; R416-F478 HydrophobicContact CG-CZ 4.49Å; R416-L505 HydrophobicContact CG-CD1 3.92Å; R416-L505 HydrophobicContact CG-CD2 3.63Å; R416-L505 HydrophobicContact CG-CG 4.46Å
417T80.5Confident82.6Confident13 Ų1333.2 Ų33.28%0.0817%0.173CC..Hα-helixtrans-60.3-46173.3-60.10000111M326 Q394 K413 R414 G420 H421M326-T417 HydrophobicContact SD-CG2 4.21Å; Q394-T417 HydrophobicContact CG-CG2 4.27Å; K413-T417 PolarHBondContact O-N 3.45Å; K413-T417 PolarHBondContact O-OG1 3.37Å; K413-T417 VanDerWaalsContact O-OG1 3.12Å; R414-T417 WeakPolarHBondContact O-CB 3.29Å; R414-T417 PolarHBondContact O-N 2.94Å; R414-T417 VanDerWaalsContact O-N 3.09Å; T417-G420 PolarHBondContact O-N 3.08Å; T417-H421 WeakPolarHBondContact CG2-CE1 3.47Å; T417-H421 PolarHBondContact O-N 3.03Å; T417-H421 PolarHBondContact O-ND1 3.17Å
418I86.8Confident83Confident1 Ų136 Ų361%0.00518%0.183CC..Hα-helixtrans-60.7-50.3177.1-69.7169.1000110.6L391 Q394 L398 R414 L415 G420 H421 L422 F443 I509L391-I418 HydrophobicContact CD2-CG2 4.06Å; Q394-I418 HydrophobicContact CB-CD1 4.06Å; Q394-I418 HydrophobicContact CB-CG1 3.75Å; Q394-I418 HydrophobicContact CG-CG1 4.4Å; L398-I418 HydrophobicContact CD1-CD1 3.3Å; R414-I418 WeakPolarHBondContact O-CG1 3.3Å; R414-I418 PolarHBondContact O-N 3.06Å; L415-I418 PolarHBondContact O-N 3.39Å; I418-G420 VanDerWaalsContact C-N 3.25Å; I418-G420 PolarHBondContact O-N 3.47Å; I418-H421 PolarHBondContact O-N 2.88Å; I418-L422 HydrophobicContact CG2-CD1 3.98Å; I418-L422 HydrophobicContact CG2-CG 4.48Å; I418-L422 WeakPolarHBondContact O-CG 3.45Å; I418-L422 PolarHBondContact O-N 2.72Å; I418-F443 HydrophobicContact CD1-CE2 4.12Å; I418-F443 HydrophobicContact CG2-CZ 4.07Å; I418-I509 HydrophobicContact CB-CD1 4.34Å; I418-I509 HydrophobicContact CG2-CD1 4.09Å; I418-I509 HydrophobicContact CG2-CG1 4.38Å; I418-I509 HydrophobicContact CG2-CG2 4.32Å
419L87.2Confident83.2Confident9 Ų934.5 Ų34.55%0.04718%0.176CC..Hα-helixtrans-58.1-41.1176.7-177.660.1000111.5L415 R416 L422 N423 L505 A508 I509 K512L415-L419 WeakPolarHBondContact O-CB 3.39Å; L415-L419 PolarHBondContact O-N 3.05Å; R416-L419 PolarHBondContact O-N 3.48Å; L419-L422 PolarHBondContact O-N 2.99Å; L419-N423 WeakPolarHBondContact O-CB 3.38Å; L419-N423 PolarHBondContact O-N 3Å; L419-N423 PolarHBondContact O-ND2 3.21Å; L419-L505 HydrophobicContact CD2-CD2 4.23Å; L419-A508 HydrophobicContact CD1-CB 4.38Å; L419-A508 HydrophobicContact CD2-CB 4.09Å; L419-I509 HydrophobicContact CB-CG1 3.93Å; L419-I509 HydrophobicContact CD1-CG1 4.19Å; L419-K512 HydrophobicContact CD1-CB 4.26Å
420G82.1Confident83.5Confident0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-60.4-46.3175.700000112.8S329 R416 T417 I418 N423 V424S329-G420 WeakPolarHBondContact O-CA 3.25Å; R416-G420 PolarHBondContact O-N 3.16Å; T417-G420 PolarHBondContact O-N 3.08Å; I418-G420 VanDerWaalsContact C-N 3.25Å; I418-G420 PolarHBondContact O-N 3.47Å; G420-N423 PolarHBondContact O-N 3.26Å; G420-V424 WeakPolarHBondContact O-CG2 3.41Å; G420-V424 PolarHBondContact O-N 3.44Å
421H83.6Confident84Confident1 Ų129 Ų291%0.00515%0.146CC..Hα-helixtrans-61.7-46.4175.1-74.291.3000111.2S390 L391 T417 I418 N423 V424 L425S390-H421 PolarHBondContact OG-CE1 3.32Å; S390-H421 VanDerWaalsContact OG-CE1 3.31Å; S390-H421 PolarHBondContact OG-NE2 3.43Å; L391-H421 HydrophobicContact CD2-CB 3.73Å; L391-H421 HydrophobicContact CG-CB 4.1Å; T417-H421 WeakPolarHBondContact CG2-CE1 3.47Å; T417-H421 PolarHBondContact O-N 3.03Å; T417-H421 PolarHBondContact O-ND1 3.17Å; I418-H421 PolarHBondContact O-N 2.88Å; H421-N423 PolarHBondContact O-N 2.66Å; H421-V424 PolarHBondContact O-N 3.35Å; H421-V424 VanDerWaalsContact O-N 3.09Å; H421-L425 WeakPolarHBondContact O-CG 3.18Å; H421-L425 PolarHBondContact O-N 2.89Å; H421-L425 VanDerWaalsContact O-N 3.09Å
422L87.3Confident84.2Confident1 Ų131.4 Ų31.41%0.00516%0.161CC..Hα-helixtrans-61.2-29.9177-67.8171.2000112.8L391 I418 L419 I430 I509 K512 I513L391-L422 HydrophobicContact CD1-CD2 4.07Å; L391-L422 HydrophobicContact CD2-CD2 4.49Å; L391-L422 HydrophobicContact CD2-CG 4.37Å; I418-L422 HydrophobicContact CG2-CD1 3.98Å; I418-L422 HydrophobicContact CG2-CG 4.48Å; I418-L422 WeakPolarHBondContact O-CG 3.45Å; I418-L422 PolarHBondContact O-N 2.72Å; L419-L422 PolarHBondContact O-N 2.99Å; L422-I430 HydrophobicContact CD2-CG1 4.39Å; L422-I430 WeakPolarHBondContact O-CD1 3.39Å; L422-I509 HydrophobicContact CD1-CG2 3.83Å; L422-K512 HydrophobicContact CB-CG 3.83Å; L422-K512 WeakPolarHBondContact O-CE 3.39Å; L422-I513 HydrophobicContact CD1-CD1 4.09Å; L422-I513 HydrophobicContact CD1-CG1 3.81Å; L422-I513 HydrophobicContact CD2-CG1 4.19Å
423N83.2Confident84.3Confident65 Ų6530.8 Ų30.835%0.34816%0.158SC..Hα-helixtrans-74.2-26.1177-77-25000113.7S332 L419 G420 H421S332-N423 PolarHBondContact OG-ND2 3.24Å; L419-N423 WeakPolarHBondContact O-CB 3.38Å; L419-N423 PolarHBondContact O-N 3Å; L419-N423 PolarHBondContact O-ND2 3.21Å; G420-N423 PolarHBondContact O-N 3.26Å; H421-N423 PolarHBondContact O-N 2.66Å
424V83.1Confident84.8Confident27 Ų2728.2 Ų28.216%0.16415%0.147CC..Hα-helixtrans-88.2-32.2-179.8178.20000111.9L325 A328 Q351 L354 G420 H421L325-V424 HydrophobicContact CD2-CB 4.49Å; L325-V424 HydrophobicContact CD2-CG1 3.71Å; A328-V424 HydrophobicContact CB-CB 4.42Å; A328-V424 HydrophobicContact CB-CG1 3.98Å; A328-V424 HydrophobicContact CB-CG2 3.54Å; Q351-V424 HydrophobicContact CG-CG2 4.22Å; L354-V424 HydrophobicContact CD1-CG1 4Å; G420-V424 WeakPolarHBondContact O-CG2 3.41Å; G420-V424 PolarHBondContact O-N 3.44Å; H421-V424 PolarHBondContact O-N 3.35Å; H421-V424 VanDerWaalsContact O-N 3.09Å
425L85.3Confident85.1Confident11 Ų1131.2 Ų31.26%0.05816%0.163CC..SBendtrans-67.1142.8-179.1-72.9175.7000112.8I383 L391 H421 D429 I430I383-L425 HydrophobicContact CG2-CD2 4.39Å; L391-L425 HydrophobicContact CD1-CD1 3.65Å; H421-L425 WeakPolarHBondContact O-CG 3.18Å; H421-L425 PolarHBondContact O-N 2.89Å; H421-L425 VanDerWaalsContact O-N 3.09Å; L425-D429 HydrophobicContact CB-CB 4.17Å; L425-D429 HydrophobicContact CD2-CB 4.03Å; L425-I430 HydrophobicContact CB-CG1 4.03Å
426D83.2Confident85.1Confident72 Ų7232.3 Ų32.339%0.38517%0.171SC..  trans-68.3157.8173.7-77.7-36.2000110.6H380 Q428 D429 I430H380-D426 IonicContact CE1-OD2 2.71Å; H380-D426 PolarHBondContact CE1-OD2 2.92Å; H380-D426 IonicContact ND1-OD2 3.25Å; H380-D426 PolarHBondContact ND1-OD2 2.79Å; D426-Q428 VanDerWaalsContact C-N 3.3Å; D426-Q428 PolarHBondContact O-N 3.21Å; D426-D429 WeakPolarHBondContact O-CB 3.19Å; D426-D429 PolarHBondContact O-N 2.97Å; D426-I430 PolarHBondContact O-N 2.97Å
427P82Confident85.1Confident54 Ų5435.2 Ų35.235%0.35120%0.196SC..Hα-helixtrans-55.4-44.5-178.4-28.736.1000113.7D429 I430 C431 Q516P427-D429 PolarHBondContact O-N 3.2Å; P427-I430 PolarHBondContact O-N 3.01Å; P427-C431 PolarHBondContact O-N 3.16Å; P427-Q516 VanDerWaalsContact C-OE1 3.31Å; P427-Q516 HydrophobicContact CB-CG 4.24Å; P427-Q516 VanDerWaalsContact O-CD 3.31Å; P427-Q516 PolarHBondContact O-NE2 3.05Å; P427-Q516 PolarHBondContact O-OE1 3.16Å
428Q83.1Confident85.3Confident160 Ų16040.2 Ų40.275%0.74822%0.218SC*.Hα-helixtrans-59.3-33.4177.9-68.3-179.50.200112.7D426 C431 T432D426-Q428 VanDerWaalsContact C-N 3.3Å; D426-Q428 PolarHBondContact O-N 3.21Å; Q428-C431 VanDerWaalsContact O-CB 3.32Å; Q428-C431 WeakPolarHBondContact O-CB 3.49Å; Q428-C431 PolarHBondContact O-N 3.15Å; Q428-T432 WeakPolarHBondContact O-CG2 3.3Å; Q428-T432 PolarHBondContact O-N 3.01Å
429D84.9Confident85.2Confident12 Ų1241.9 Ų41.96%0.06423%0.228CC..Hα-helixtrans-72.6-42.6179.8-61.7-27.8000111.4R384 L425 D426 P427 C431 T432 F433R384-D429 HydrophobicContact CB-CB 4.41Å; R384-D429 VanDerWaalsContact CB-OD1 3.29Å; R384-D429 WeakPolarHBondContact CB-OD1 3.49Å; R384-D429 VanDerWaalsContact CD-OD1 3.26Å; R384-D429 WeakPolarHBondContact CD-OD1 3.28Å; R384-D429 HydrophobicContact CG-CB 4.02Å; R384-D429 VanDerWaalsContact CG-OD1 3.23Å; R384-D429 WeakPolarHBondContact CG-OD1 3.43Å; L425-D429 HydrophobicContact CB-CB 4.17Å; L425-D429 HydrophobicContact CD2-CB 4.03Å; D426-D429 WeakPolarHBondContact O-CB 3.19Å; D426-D429 PolarHBondContact O-N 2.97Å; P427-D429 PolarHBondContact O-N 3.2Å; D429-C431 PolarHBondContact O-N 3.45Å; D429-T432 PolarHBondContact O-N 3.39Å; D429-T432 VanDerWaalsContact O-N 3.12Å; D429-T432 PolarHBondContact O-OG1 3.33Å; D429-F433 PolarHBondContact O-N 2.98Å
430I87.8Confident85.4Confident1 Ų141.5 Ų41.51%0.00523%0.226CC..Hα-helixtrans-59.6-41.6172-59.6172.5000109.5L422 L425 D426 P427 T432 F433 V434 T519L422-I430 HydrophobicContact CD2-CG1 4.39Å; L422-I430 WeakPolarHBondContact O-CD1 3.39Å; L425-I430 HydrophobicContact CB-CG1 4.03Å; D426-I430 PolarHBondContact O-N 2.97Å; P427-I430 PolarHBondContact O-N 3.01Å; I430-T432 VanDerWaalsContact C-N 3.32Å; I430-T432 PolarHBondContact O-N 3.36Å; I430-F433 WeakPolarHBondContact O-CB 3.4Å; I430-F433 PolarHBondContact O-N 3.32Å; I430-F433 VanDerWaalsContact O-N 3.08Å; I430-V434 HydrophobicContact CG2-CG2 4.37Å; I430-V434 WeakPolarHBondContact O-CG2 3.48Å; I430-V434 PolarHBondContact O-N 3.18Å; I430-T519 HydrophobicContact CG2-CG2 4.49Å
431C88.1Confident85.9Confident22 Ų2243.4 Ų43.415%0.14924%0.235CC..Hα-helixtrans-57.3-44.6175-174.60000111.5P427 Q428 D429 F433 V434 H435 T519P427-C431 PolarHBondContact O-N 3.16Å; Q428-C431 VanDerWaalsContact O-CB 3.32Å; Q428-C431 WeakPolarHBondContact O-CB 3.49Å; Q428-C431 PolarHBondContact O-N 3.15Å; D429-C431 PolarHBondContact O-N 3.45Å; C431-F433 VanDerWaalsContact C-N 3.32Å; C431-F433 PolarHBondContact O-N 2.87Å; C431-V434 PolarHBondContact O-N 3.01Å; C431-H435 PolarHBondContact O-N 3.16Å; C431-H435 PolarHBondContact O-ND1 3.43Å; C431-H435 PolarHBondContact SG-CE1 3.37Å; C431-H435 PolarHBondContact SG-ND1 2.86Å; C431-T519 HydrophobicContact CB-CG2 4.23Å
432T85.8Confident86.2Confident56 Ų5649.1 Ų49.134%0.34426%0.257SS..Hα-helixtrans-63-35.3174.4610000113.6Q428 D429 I430 H435 S436Q428-T432 WeakPolarHBondContact O-CG2 3.3Å; Q428-T432 PolarHBondContact O-N 3.01Å; D429-T432 PolarHBondContact O-N 3.39Å; D429-T432 VanDerWaalsContact O-N 3.12Å; D429-T432 PolarHBondContact O-OG1 3.33Å; I430-T432 VanDerWaalsContact C-N 3.32Å; I430-T432 PolarHBondContact O-N 3.36Å; T432-H435 PolarHBondContact O-N 3.46Å; T432-S436 PolarHBondContact O-N 3.16Å
433F86.7Confident86.4Confident6 Ų649.2 Ų49.23%0.02626%0.257CS..Hα-helixtrans-64.4-44.8173.4172.1-103.2000111.6F388 L391 D429 I430 C431 H435 S436 F440 F443 I513F388-F433 HydrophobicContact CD2-CB 4.12Å; F388-F433 AromaticContact CD2-CD2 3.8Å; F388-F433 HydrophobicContact CD2-CD2 3.8Å; F388-F433 HydrophobicContact CD2-CG 4.47Å; F388-F433 HydrophobicContact CE2-CB 4.33Å; F388-F433 AromaticContact CE2-CD2 3.66Å; F388-F433 HydrophobicContact CE2-CD2 3.66Å; F388-F433 HydrophobicContact CE2-CG 4.46Å; L391-F433 HydrophobicContact CB-CE2 4.38Å; L391-F433 HydrophobicContact CD1-CD2 4.36Å; L391-F433 HydrophobicContact CD1-CG 4.47Å; D429-F433 PolarHBondContact O-N 2.98Å; I430-F433 WeakPolarHBondContact O-CB 3.4Å; I430-F433 PolarHBondContact O-N 3.32Å; I430-F433 VanDerWaalsContact O-N 3.08Å; C431-F433 VanDerWaalsContact C-N 3.32Å; C431-F433 PolarHBondContact O-N 2.87Å; F433-H435 VanDerWaalsContact C-N 3.34Å; F433-H435 PolarHBondContact O-N 3.23Å; F433-S436 WeakPolarHBondContact O-CB 3.38Å; F433-S436 PolarHBondContact O-N 3.47Å; F433-S436 PolarHBondContact O-OG 3.37Å; F433-F440 HydrophobicContact CD1-CD2 4.29Å; F433-F440 AromaticContact CE1-CD2 3.83Å; F433-F440 HydrophobicContact CE1-CD2 3.83Å; F433-F440 HydrophobicContact CE1-CE2 4.43Å; F433-F440 HydrophobicContact CZ-CD2 4.45Å; F433-F443 HydrophobicContact CE1-CD1 4.23Å; F433-F443 HydrophobicContact CZ-CB 4.48Å; F433-F443 HydrophobicContact CZ-CD1 4.12Å; F433-F443 HydrophobicContact CZ-CG 4.33Å; F433-I513 HydrophobicContact CE1-CD1 4.37Å
434V89Confident86.9Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-66-37.2178.7-176.50000111.5I430 C431 S436 F440 I513 T519 L522I430-V434 HydrophobicContact CG2-CG2 4.37Å; I430-V434 WeakPolarHBondContact O-CG2 3.48Å; I430-V434 PolarHBondContact O-N 3.18Å; C431-V434 PolarHBondContact O-N 3.01Å; V434-S436 PolarHBondContact O-N 3.44Å; V434-F440 HydrophobicContact CG1-CD1 3.87Å; V434-F440 HydrophobicContact CG1-CD2 4.45Å; V434-F440 HydrophobicContact CG1-CE1 3.65Å; V434-F440 HydrophobicContact CG1-CE2 4.28Å; V434-F440 HydrophobicContact CG1-CG 4.28Å; V434-F440 HydrophobicContact CG1-CZ 3.89Å; V434-F440 HydrophobicContact CG2-CD2 4.35Å; V434-F440 HydrophobicContact CG2-CE2 4.14Å; V434-F440 HydrophobicContact CG2-CZ 4.43Å; V434-I513 HydrophobicContact CG2-CG2 3.48Å; V434-I513 VanDerWaalsContact CG2-CG2 3.48Å; V434-T519 HydrophobicContact CB-CG2 4.23Å; V434-T519 HydrophobicContact CG2-CG2 3.86Å; V434-L522 HydrophobicContact CG1-CB 4.06Å; V434-L522 HydrophobicContact CG1-CD2 3.65Å; V434-L522 HydrophobicContact CG1-CG 3.8Å
435H88.1Confident87.3Confident113 Ų11345.8 Ų45.852%0.52324%0.24SC..Hα-helixtrans-70.4-10.7176.5-75.383.2000114.2C431 T432 F433 S437C431-H435 PolarHBondContact O-N 3.16Å; C431-H435 PolarHBondContact O-ND1 3.43Å; C431-H435 PolarHBondContact SG-CE1 3.37Å; C431-H435 PolarHBondContact SG-ND1 2.86Å; T432-H435 PolarHBondContact O-N 3.46Å; F433-H435 VanDerWaalsContact C-N 3.34Å; F433-H435 PolarHBondContact O-N 3.23Å; H435-S437 PolarHBondContact O-N 2.94Å
436S86.8Confident87.5Confident25 Ų2545.3 Ų45.318%0.17524%0.237CC..  trans-74.971.8168.8740000109.9F388 T432 F433 V434 E438 T439 F440F388-S436 WeakPolarHBondContact CE2-OG 3.49Å; T432-S436 PolarHBondContact O-N 3.16Å; F433-S436 WeakPolarHBondContact O-CB 3.38Å; F433-S436 PolarHBondContact O-N 3.47Å; F433-S436 PolarHBondContact O-OG 3.37Å; V434-S436 PolarHBondContact O-N 3.44Å; S436-E438 VanDerWaalsContact C-N 3.29Å; S436-E438 PolarHBondContact O-N 3.48Å; S436-E438 VanDerWaalsContact O-N 3.08Å; S436-T439 WeakPolarHBondContact CB-OG1 3.28Å; S436-T439 PolarHBondContact O-N 3.31Å; S436-T439 VanDerWaalsContact O-N 3.11Å; S436-T439 PolarHBondContact O-OG1 2.83Å; S436-T439 VanDerWaalsContact O-OG1 3.04Å; S436-T439 PolarHBondContact OG-OG1 3.48Å; S436-F440 WeakPolarHBondContact O-CB 3.48Å; S436-F440 PolarHBondContact O-N 3.38Å
437S81.6Confident88Confident90 Ų9042 Ų4263%0.62922%0.219SC*.Hα-helixtrans-46.9-46.1-165.556.80000114.1H435 H441H435-S437 PolarHBondContact O-N 2.94Å; S437-H441 WeakPolarHBondContact O-CB 3.31Å; S437-H441 PolarHBondContact O-N 3.03Å
438E86.2Confident88.5Confident118 Ų11839.4 Ų39.455%0.55120%0.202SC*.Hα-helixtrans-67.2-48.8-179.2-173.1-179172.600113.1S436 R442S436-E438 VanDerWaalsContact C-N 3.29Å; S436-E438 PolarHBondContact O-N 3.48Å; S436-E438 VanDerWaalsContact O-N 3.08Å; E438-R442 WeakPolarHBondContact O-CB 3.42Å; E438-R442 VanDerWaalsContact O-CG 3.29Å; E438-R442 WeakPolarHBondContact O-CG 3.44Å; E438-R442 PolarHBondContact O-N 2.96Å; E438-R442 IonicContact OE1-CZ 2.73Å; E438-R442 IonicContact OE1-NE 2.77Å; E438-R442 IonicContact OE1-NH1 4Å; E438-R442 PolarHBondContact OE1-NH1 2.93Å; E438-R442 IonicContact OE1-NH2 2.87Å; E438-R442 PolarHBondContact OE1-NH2 3.22Å
439T84.6Confident88.8Confident36 Ų3635.8 Ų35.822%0.22118%0.184CC..Hα-helixtrans-69.3-39.9-179.128.70000111.7T392 S436 F443T392-T439 HydrophobicContact CG2-CG2 4.45Å; S436-T439 WeakPolarHBondContact CB-OG1 3.28Å; S436-T439 PolarHBondContact O-N 3.31Å; S436-T439 VanDerWaalsContact O-N 3.11Å; S436-T439 PolarHBondContact O-OG1 2.83Å; S436-T439 VanDerWaalsContact O-OG1 3.04Å; S436-T439 PolarHBondContact OG-OG1 3.48Å; T439-F443 WeakPolarHBondContact O-CB 3.39Å; T439-F443 PolarHBondContact O-N 3.39Å
440F91.5Very high89Confident1 Ų135.5 Ų35.50%0.00418%0.182CC..Hα-helixtrans-68-44.4177.1-180-113.3000112.1F433 V434 S436 R442 F443 C444 I513 F523 T526F433-F440 HydrophobicContact CD1-CD2 4.29Å; F433-F440 AromaticContact CE1-CD2 3.83Å; F433-F440 HydrophobicContact CE1-CD2 3.83Å; F433-F440 HydrophobicContact CE1-CE2 4.43Å; F433-F440 HydrophobicContact CZ-CD2 4.45Å; V434-F440 HydrophobicContact CG1-CD1 3.87Å; V434-F440 HydrophobicContact CG1-CD2 4.45Å; V434-F440 HydrophobicContact CG1-CE1 3.65Å; V434-F440 HydrophobicContact CG1-CE2 4.28Å; V434-F440 HydrophobicContact CG1-CG 4.28Å; V434-F440 HydrophobicContact CG1-CZ 3.89Å; V434-F440 HydrophobicContact CG2-CD2 4.35Å; V434-F440 HydrophobicContact CG2-CE2 4.14Å; V434-F440 HydrophobicContact CG2-CZ 4.43Å; S436-F440 WeakPolarHBondContact O-CB 3.48Å; S436-F440 PolarHBondContact O-N 3.38Å; F440-R442 PolarHBondContact O-N 3.15Å; F440-F443 WeakPolarHBondContact O-CB 3.3Å; F440-F443 PolarHBondContact O-N 3Å; F440-F443 VanDerWaalsContact O-N 3.14Å; F440-C444 VanDerWaalsContact CE2-SG 3.59Å; F440-C444 WeakPolarHBondContact CZ-SG 3.44Å; F440-C444 PolarHBondContact O-N 2.89Å; F440-I513 HydrophobicContact CE2-CD1 4.41Å; F440-I513 HydrophobicContact CE2-CG2 3.93Å; F440-I513 HydrophobicContact CZ-CG2 4.27Å; F440-F523 HydrophobicContact CE2-CD2 4.23Å; F440-F523 HydrophobicContact CZ-CB 4.26Å; F440-F523 AromaticContact CZ-CD2 3.59Å; F440-F523 HydrophobicContact CZ-CD2 3.59Å; F440-F523 HydrophobicContact CZ-CE2 4.27Å; F440-F523 HydrophobicContact CZ-CG 4.26Å; F440-T526 HydrophobicContact CD1-CG2 4.16Å; F440-T526 HydrophobicContact CE1-CG2 3.93Å; F440-T526 WeakPolarHBondContact CE1-OG1 3.38Å
441H92.3Very high89.2Confident41 Ų4135.4 Ų35.419%0.1918%0.182CC..Hα-helixtrans-59.4-46174.8-178.7-92.6000111.7S437 F443 C444 S445 T526 I530 E533S437-H441 WeakPolarHBondContact O-CB 3.31Å; S437-H441 PolarHBondContact O-N 3.03Å; H441-F443 VanDerWaalsContact C-N 3.29Å; H441-F443 PolarHBondContact O-N 2.65Å; H441-C444 PolarHBondContact O-N 3.19Å; H441-S445 VanDerWaalsContact O-CB 3.31Å; H441-S445 WeakPolarHBondContact O-CB 3.23Å; H441-S445 PolarHBondContact O-N 3.4Å; H441-T526 HydrophobicContact CB-CG2 4.31Å; H441-I530 WeakPolarHBondContact NE2-CG1 3.44Å; H441-E533 IonicContact CE1-OE1 3.08Å; H441-E533 IonicContact CE1-OE2 2.93Å; H441-E533 PolarHBondContact CE1-OE2 3.1Å; H441-E533 IonicContact NE2-OE1 3.79Å; H441-E533 IonicContact NE2-OE2 3.56Å; H441-E533 PolarHBondContact NE2-OE2 3.1Å
442R89.1Confident89.2Confident121 Ų12136 Ų3646%0.45718%0.184SC..Hα-helixtrans-59.4-39.7174.7-75.8179.3178.21648.8112.4L399 E438 F440 A446L399-R442 HydrophobicContact CD1-CB 3.97Å; E438-R442 WeakPolarHBondContact O-CB 3.42Å; E438-R442 VanDerWaalsContact O-CG 3.29Å; E438-R442 WeakPolarHBondContact O-CG 3.44Å; E438-R442 PolarHBondContact O-N 2.96Å; E438-R442 IonicContact OE1-CZ 2.73Å; E438-R442 IonicContact OE1-NE 2.77Å; E438-R442 IonicContact OE1-NH1 4Å; E438-R442 PolarHBondContact OE1-NH1 2.93Å; E438-R442 IonicContact OE1-NH2 2.87Å; E438-R442 PolarHBondContact OE1-NH2 3.22Å; F440-R442 PolarHBondContact O-N 3.15Å; R442-A446 PolarHBondContact O-N 3.21Å
443F91.2Very high89.3Confident3 Ų333.4 Ų33.41%0.01317%0.168CC..Hα-helixtrans-63.7-51.8177.2178.3-118.3000112.5V395 I418 F433 T439 F440 H441 S445 A446 L447 I509 I513V395-F443 HydrophobicContact CB-CD2 4.1Å; V395-F443 HydrophobicContact CG1-CB 3.89Å; V395-F443 HydrophobicContact CG1-CD2 3.84Å; V395-F443 HydrophobicContact CG1-CG 4.3Å; V395-F443 HydrophobicContact CG2-CB 4.21Å; V395-F443 HydrophobicContact CG2-CD2 3.22Å; V395-F443 HydrophobicContact CG2-CE2 3.67Å; V395-F443 HydrophobicContact CG2-CG 3.86Å; I418-F443 HydrophobicContact CD1-CE2 4.12Å; I418-F443 HydrophobicContact CG2-CZ 4.07Å; F433-F443 HydrophobicContact CE1-CD1 4.23Å; F433-F443 HydrophobicContact CZ-CB 4.48Å; F433-F443 HydrophobicContact CZ-CD1 4.12Å; F433-F443 HydrophobicContact CZ-CG 4.33Å; T439-F443 WeakPolarHBondContact O-CB 3.39Å; T439-F443 PolarHBondContact O-N 3.39Å; F440-F443 WeakPolarHBondContact O-CB 3.3Å; F440-F443 PolarHBondContact O-N 3Å; F440-F443 VanDerWaalsContact O-N 3.14Å; H441-F443 VanDerWaalsContact C-N 3.29Å; H441-F443 PolarHBondContact O-N 2.65Å; F443-S445 VanDerWaalsContact C-N 3.3Å; F443-S445 PolarHBondContact O-N 3.46Å; F443-A446 WeakPolarHBondContact O-CB 3.26Å; F443-A446 PolarHBondContact O-N 3.12Å; F443-A446 VanDerWaalsContact O-N 3.12Å; F443-L447 HydrophobicContact CD1-CD1 4.25Å; F443-L447 HydrophobicContact CE1-CD1 3.62Å; F443-L447 HydrophobicContact CE1-CG 4.37Å; F443-L447 HydrophobicContact CE2-CD1 4.18Å; F443-L447 HydrophobicContact CE2-CD2 4.18Å; F443-L447 HydrophobicContact CE2-CG 4.12Å; F443-L447 HydrophobicContact CZ-CD1 3.62Å; F443-L447 HydrophobicContact CZ-CD2 4.24Å; F443-L447 HydrophobicContact CZ-CG 4.07Å; F443-L447 PolarHBondContact O-N 3.41Å; F443-I509 HydrophobicContact CE1-CG2 3.96Å; F443-I509 HydrophobicContact CZ-CG2 3.82Å; F443-I513 HydrophobicContact CD1-CD1 4.28Å; F443-I513 HydrophobicContact CE1-CD1 3.62Å
444C93.6Very high89.2Confident0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-61.8-38.9177.1-74.60000111.7F440 H441 A446 L447 A448 T526 I530F440-C444 VanDerWaalsContact CE2-SG 3.59Å; F440-C444 WeakPolarHBondContact CZ-SG 3.44Å; F440-C444 PolarHBondContact O-N 2.89Å; H441-C444 PolarHBondContact O-N 3.19Å; C444-A446 VanDerWaalsContact C-N 3.31Å; C444-A446 PolarHBondContact O-N 2.99Å; C444-L447 PolarHBondContact O-N 3.45Å; C444-A448 WeakPolarHBondContact O-CB 3.2Å; C444-A448 PolarHBondContact O-N 3.22Å; C444-T526 HydrophobicContact CB-CG2 3.97Å; C444-I530 HydrophobicContact CB-CD1 3.53Å
445S91.6Very high88.6Confident20 Ų2037.9 Ų37.914%0.1419%0.189CC..Hα-helixtrans-60.6-39.9174.1-172.60000111.8H441 F443 A448 K449H441-S445 VanDerWaalsContact O-CB 3.31Å; H441-S445 WeakPolarHBondContact O-CB 3.23Å; H441-S445 PolarHBondContact O-N 3.4Å; F443-S445 VanDerWaalsContact C-N 3.3Å; F443-S445 PolarHBondContact O-N 3.46Å; S445-A448 PolarHBondContact O-N 2.82Å; S445-K449 WeakPolarHBondContact O-CB 3.17Å; S445-K449 VanDerWaalsContact O-CG 3.27Å; S445-K449 WeakPolarHBondContact O-CG 3.23Å; S445-K449 PolarHBondContact O-N 3.39Å
446A89.8Confident87.7Confident1 Ų137.4 Ų37.41%0.00820%0.199CC..Hα-helixtrans-62.2-49.9175.100000111.6L399 L402 R442 F443 C444 A448 K449 F450L399-A446 HydrophobicContact CD2-CB 3.54Å; L399-A446 HydrophobicContact CG-CB 4.04Å; L402-A446 HydrophobicContact CD1-CB 4.04Å; R442-A446 PolarHBondContact O-N 3.21Å; F443-A446 WeakPolarHBondContact O-CB 3.26Å; F443-A446 PolarHBondContact O-N 3.12Å; F443-A446 VanDerWaalsContact O-N 3.12Å; C444-A446 VanDerWaalsContact C-N 3.31Å; C444-A446 PolarHBondContact O-N 2.99Å; A446-A448 VanDerWaalsContact C-N 3.34Å; A446-A448 PolarHBondContact O-N 3.41Å; A446-K449 PolarHBondContact O-N 3.13Å; A446-F450 WeakPolarHBondContact O-CD2 3.28Å; A446-F450 PolarHBondContact O-N 2.93Å
447L93.2Very high86.3Confident1 Ų139.4 Ų39.41%0.00521%0.213CC..Hα-helixtrans-60-44.4178.5-65.5-177.9000111.5L415 F443 C444 K449 F450 L451 I506 I509 L545L415-L447 HydrophobicContact CD2-CD2 4.04Å; F443-L447 HydrophobicContact CD1-CD1 4.25Å; F443-L447 HydrophobicContact CE1-CD1 3.62Å; F443-L447 HydrophobicContact CE1-CG 4.37Å; F443-L447 HydrophobicContact CE2-CD1 4.18Å; F443-L447 HydrophobicContact CE2-CD2 4.18Å; F443-L447 HydrophobicContact CE2-CG 4.12Å; F443-L447 HydrophobicContact CZ-CD1 3.62Å; F443-L447 HydrophobicContact CZ-CD2 4.24Å; F443-L447 HydrophobicContact CZ-CG 4.07Å; F443-L447 PolarHBondContact O-N 3.41Å; C444-L447 PolarHBondContact O-N 3.45Å; L447-K449 VanDerWaalsContact C-N 3.33Å; L447-K449 PolarHBondContact O-N 3.23Å; L447-F450 PolarHBondContact O-N 3.26Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.83Å; L447-L451 VanDerWaalsContact O-N 3.07Å; L447-I506 HydrophobicContact CB-CG2 4.15Å; L447-I506 HydrophobicContact CD1-CG2 4.34Å; L447-I506 HydrophobicContact CD2-CG1 4.3Å; L447-I506 HydrophobicContact CD2-CG2 4.15Å; L447-I506 HydrophobicContact CG-CG2 4.46Å; L447-I509 HydrophobicContact CD1-CG2 4.33Å; L447-L545 HydrophobicContact CB-CD1 4.32Å; L447-L545 HydrophobicContact CB-CD2 4.12Å; L447-L545 HydrophobicContact CD1-CD2 4.48Å
448A93.1Very high85.2Confident0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-60.3-41.9176.500000111.6C444 S445 A446 F450 L451 N452 I530 L538 S541 L545C444-A448 WeakPolarHBondContact O-CB 3.2Å; C444-A448 PolarHBondContact O-N 3.22Å; S445-A448 PolarHBondContact O-N 2.82Å; A446-A448 VanDerWaalsContact C-N 3.34Å; A446-A448 PolarHBondContact O-N 3.41Å; A448-F450 PolarHBondContact O-N 3.36Å; A448-L451 CarbonylContact O-C 3.55Å; A448-L451 PolarHBondContact O-N 3.46Å; A448-L451 VanDerWaalsContact O-N 3.16Å; A448-N452 PolarHBondContact O-N 3.06Å; A448-I530 HydrophobicContact CB-CG2 4.38Å; A448-L538 HydrophobicContact CB-CD1 4.22Å; A448-S541 WeakPolarHBondContact O-CB 3.5Å; A448-S541 PolarHBondContact O-OG 3.18Å; A448-L545 HydrophobicContact CB-CD1 4.11Å
449K89.9Confident84.1Confident84 Ų8435.8 Ų35.837%0.36519%0.187SC..Hα-helixtrans-63.6-40.1175.5-73.9170.4-177.2173.50112.7L402 S445 A446 L447 L451 N452 Y496 L538L402-K449 HydrophobicContact CD1-CB 4.42Å; L402-K449 HydrophobicContact CD1-CD 4.3Å; L402-K449 HydrophobicContact CD2-CB 4.03Å; S445-K449 WeakPolarHBondContact O-CB 3.17Å; S445-K449 VanDerWaalsContact O-CG 3.27Å; S445-K449 WeakPolarHBondContact O-CG 3.23Å; S445-K449 PolarHBondContact O-N 3.39Å; A446-K449 PolarHBondContact O-N 3.13Å; L447-K449 VanDerWaalsContact C-N 3.33Å; L447-K449 PolarHBondContact O-N 3.23Å; K449-L451 PolarHBondContact O-N 3.37Å; K449-N452 VanDerWaalsContact O-CB 3.23Å; K449-N452 WeakPolarHBondContact O-CB 3.16Å; K449-N452 PolarHBondContact O-N 3.17Å; K449-N452 VanDerWaalsContact O-N 3.14Å; K449-Y496 WeakPolarHBondContact O-CD2 3.23Å; K449-Y496 WeakPolarHBondContact O-CE2 3.25Å; K449-L538 HydrophobicContact CG-CD1 4.09Å
450F88.6Confident82.8Confident6 Ų636 Ų363%0.02619%0.187CC..Hα-helixtrans-62.8-34.3173.7-80.1-68.8000112.4L398 L402 L406 L411 A446 L447 A448 N452 Y496 F497 I506L398-F450 HydrophobicContact CD2-CD2 3.99Å; L398-F450 HydrophobicContact CD2-CE2 3.25Å; L398-F450 HydrophobicContact CD2-CZ 3.75Å; L402-F450 HydrophobicContact CD1-CE2 4.16Å; L402-F450 HydrophobicContact CD2-CD1 4.16Å; L402-F450 HydrophobicContact CD2-CD2 4.05Å; L402-F450 HydrophobicContact CD2-CE1 3.88Å; L402-F450 HydrophobicContact CD2-CE2 3.72Å; L402-F450 HydrophobicContact CD2-CG 4.24Å; L402-F450 HydrophobicContact CD2-CZ 3.64Å; L402-F450 HydrophobicContact CG-CD2 4.34Å; L402-F450 HydrophobicContact CG-CE1 4.3Å; L402-F450 HydrophobicContact CG-CE2 3.59Å; L402-F450 HydrophobicContact CG-CZ 3.58Å; L406-F450 HydrophobicContact CD1-CZ 4.27Å; L411-F450 HydrophobicContact CD1-CD1 4.45Å; L411-F450 HydrophobicContact CD1-CE1 4.12Å; L411-F450 HydrophobicContact CD1-CE2 4.44Å; L411-F450 HydrophobicContact CD1-CZ 4.12Å; L411-F450 HydrophobicContact CD2-CD1 3.99Å; L411-F450 HydrophobicContact CD2-CE1 4.1Å; A446-F450 WeakPolarHBondContact O-CD2 3.28Å; A446-F450 PolarHBondContact O-N 2.93Å; L447-F450 PolarHBondContact O-N 3.26Å; A448-F450 PolarHBondContact O-N 3.36Å; F450-N452 PolarHBondContact O-N 2.83Å; F450-Y496 HydrophobicContact CD1-CG 4.48Å; F450-F497 VanDerWaalsContact O-CE1 3.31Å; F450-F497 WeakPolarHBondContact O-CE1 3.1Å; F450-I506 HydrophobicContact CB-CD1 4.26Å
451L91.4Very high81.2Confident0 Ų043.7 Ų43.70%022%0.223CC..THydrogen-bonded Turntrans-80.817.9175.5-65.1-177.5000113.7L447 A448 K449 F453 F494 F497 L503 I506 S541 L544 L545L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 2.83Å; L447-L451 VanDerWaalsContact O-N 3.07Å; A448-L451 CarbonylContact O-C 3.55Å; A448-L451 PolarHBondContact O-N 3.46Å; A448-L451 VanDerWaalsContact O-N 3.16Å; K449-L451 PolarHBondContact O-N 3.37Å; L451-F453 PolarHBondContact O-N 2.94Å; L451-F494 HydrophobicContact CB-CE1 4.36Å; L451-F494 HydrophobicContact CD2-CE1 4.12Å; L451-F494 HydrophobicContact CD2-CZ 4.3Å; L451-F497 HydrophobicContact CD2-CE1 4.07Å; L451-F497 HydrophobicContact CD2-CZ 3.92Å; L451-L503 HydrophobicContact CD1-CD1 4.44Å; L451-L503 HydrophobicContact CD2-CD1 3.54Å; L451-I506 HydrophobicContact CD1-CG2 3.76Å; L451-I506 HydrophobicContact CD2-CD1 3.72Å; L451-I506 HydrophobicContact CD2-CG2 4.39Å; L451-I506 HydrophobicContact CG-CD1 4.09Å; L451-I506 HydrophobicContact CG-CG2 4.14Å; L451-S541 VanDerWaalsContact C-OG 3.25Å; L451-S541 PolarHBondContact O-OG 2.94Å; L451-L544 HydrophobicContact CB-CD1 4.39Å; L451-L544 HydrophobicContact CD1-CB 3.92Å; L451-L544 HydrophobicContact CD1-CD1 4.33Å; L451-L544 HydrophobicContact CD2-CD1 4.49Å; L451-L545 HydrophobicContact CD1-CD2 3.67Å; L451-L545 HydrophobicContact CD1-CG 4.01Å
452N89.1Confident79.2Confident35 Ų3545.8 Ų45.819%0.18723%0.233CC..  trans-68.7128.7177.1-162.84.7000111A448 K449 F450 F494 Q495 Y496A448-N452 PolarHBondContact O-N 3.06Å; K449-N452 VanDerWaalsContact O-CB 3.23Å; K449-N452 WeakPolarHBondContact O-CB 3.16Å; K449-N452 PolarHBondContact O-N 3.17Å; K449-N452 VanDerWaalsContact O-N 3.14Å; F450-N452 PolarHBondContact O-N 2.83Å; N452-F494 WeakPolarHBondContact O-CA 3.37Å; N452-Q495 PolarHBondContact ND2-NE2 2.78Å; N452-Q495 PolarHBondContact ND2-OE1 3.23Å; N452-Q495 PolarHBondContact O-N 2.99Å; N452-Y496 HydrophobicContact CB-CE2 4.13Å
453F88.1Confident77.2Confident1 Ų147.4 Ų47.40%0.00425%0.249CC..BIsolated β-bridgetrans-73.9142.2-175.4-81.1-98.3000111.7L451 F455 K492 F494 Q495 N540 L544 I660 L664L451-F453 PolarHBondContact O-N 2.94Å; F453-F455 HydrophobicContact CB-CD1 4.35Å; F453-F455 HydrophobicContact CB-CE1 3.96Å; F453-F455 HydrophobicContact CB-CZ 4.06Å; F453-F455 PolarHBondContact O-N 3.43Å; F453-K492 HydrophobicContact CE1-CB 4.11Å; F453-K492 HydrophobicContact CE1-CD 4.39Å; F453-K492 HydrophobicContact CE1-CG 4.13Å; F453-K492 HydrophobicContact CZ-CD 4.3Å; F453-F494 HydrophobicContact CD2-CE1 4.42Å; F453-F494 HydrophobicContact CE1-CE1 4.36Å; F453-F494 HydrophobicContact CE2-CE1 4.16Å; F453-F494 HydrophobicContact CZ-CE1 4.14Å; F453-Q495 WeakPolarHBondContact O-CG 3.4Å; F453-Q495 PolarHBondContact O-NE2 2.89Å; F453-N540 HydrophobicContact CD2-CB 3.73Å; F453-N540 HydrophobicContact CE2-CB 3.57Å; F453-N540 HydrophobicContact CZ-CB 4.46Å; F453-L544 HydrophobicContact CE2-CD1 3.64Å; F453-L544 HydrophobicContact CE2-CG 4.42Å; F453-L544 HydrophobicContact CZ-CD1 3.69Å; F453-L544 HydrophobicContact CZ-CG 4.39Å; F453-I660 HydrophobicContact CD1-CD1 4.15Å; F453-I660 HydrophobicContact CD1-CG2 4.11Å; F453-I660 HydrophobicContact CE1-CG2 3.7Å; F453-I660 HydrophobicContact CE2-CG2 4.24Å; F453-I660 HydrophobicContact CZ-CG2 3.77Å; F453-L664 HydrophobicContact CE2-CD1 4.18Å; F453-L664 HydrophobicContact CZ-CD1 4.06Å; F453-L664 HydrophobicContact CZ-CD2 4.39Å
454N83.8Confident75.1Confident47 Ų4750.8 Ų50.825%0.25127%0.267SS..  trans-92.492.8165.5-176.6-0.6000109.5S456 S457 S493 Q495N454-S456 PolarHBondContact O-N 2.84Å; N454-S456 VanDerWaalsContact OD1-CB 3.23Å; N454-S456 WeakPolarHBondContact OD1-CB 3.36Å; N454-S456 PolarHBondContact OD1-N 2.96Å; N454-S456 VanDerWaalsContact OD1-N 3.16Å; N454-S456 PolarHBondContact OD1-OG 2.72Å; N454-S456 VanDerWaalsContact OD1-OG 3.05Å; N454-S457 PolarHBondContact ND2-OG 3.05Å; N454-S457 PolarHBondContact O-N 3.47Å; N454-S493 PolarHBondContact N-O 3.32Å; N454-S493 PolarHBondContact O-OG 3.02Å; N454-Q495 HydrophobicContact CB-CG 4.06Å
455F77.6Confident72.7Confident52 Ų5259.1 Ų59.123%0.22830%0.3CS..G310 helixtrans-63.8-19.3-179.5-58.3-69.4000113.7F453 S457 V458 K656 M657 I660F453-F455 HydrophobicContact CB-CD1 4.35Å; F453-F455 HydrophobicContact CB-CE1 3.96Å; F453-F455 HydrophobicContact CB-CZ 4.06Å; F453-F455 PolarHBondContact O-N 3.43Å; F455-S457 PolarHBondContact O-N 3.19Å; F455-V458 PolarHBondContact O-N 2.95Å; F455-K656 HydrophobicContact CB-CD 4.26Å; F455-K656 HydrophobicContact CD1-CB 4.17Å; F455-K656 WeakPolarHBondContact O-CD 3.48Å; F455-K656 PolarHBondContact O-NZ 3.2Å; F455-M657 HydrophobicContact CE1-CB 3.98Å; F455-M657 HydrophobicContact CE1-CG 4.32Å; F455-M657 HydrophobicContact CZ-CB 4.11Å; F455-M657 HydrophobicContact CZ-CG 4.14Å; F455-I660 HydrophobicContact CD1-CD1 3.65Å; F455-I660 HydrophobicContact CE1-CD1 3.68Å
456S68Low70.4Confident104 Ų10465.5 Ų65.573%0.72733%0.331SS*.G310 helixtrans-63.2-32.4179.8-42.20000112N454N454-S456 PolarHBondContact O-N 2.84Å; N454-S456 VanDerWaalsContact OD1-CB 3.23Å; N454-S456 WeakPolarHBondContact OD1-CB 3.36Å; N454-S456 PolarHBondContact OD1-N 2.96Å; N454-S456 VanDerWaalsContact OD1-N 3.16Å; N454-S456 PolarHBondContact OD1-OG 2.72Å; N454-S456 VanDerWaalsContact OD1-OG 3.05Å
457S57.8Low68.1Low67 Ų6771.1 Ų71.147%0.46936%0.361SS..G310 helixtrans-89.4-5.7-176.9-22.20000114N454 F455 S493N454-S457 PolarHBondContact ND2-OG 3.05Å; N454-S457 PolarHBondContact O-N 3.47Å; F455-S457 PolarHBondContact O-N 3.19Å; S457-S493 WeakPolarHBondContact CB-OG 3.1Å; S457-S493 PolarHBondContact OG-OG 2.91Å
458V59Low65.7Low14 Ų1475.4 Ų75.49%0.08539%0.388CS..  trans-89.3111.2-176.9-179.10000109.3F455 K656 I660 L713F455-V458 PolarHBondContact O-N 2.95Å; V458-K656 WeakPolarHBondContact O-CE 3.31Å; V458-K656 PolarHBondContact O-NZ 2.98Å; V458-I660 HydrophobicContact CG1-CD1 4.34Å; V458-I660 HydrophobicContact CG1-CG1 4.45Å; V458-I660 HydrophobicContact CG2-CD1 4.02Å; V458-L713 HydrophobicContact CG1-CD2 4Å
459E63.4Low63.7Low118 Ų11878.8 Ų78.855%0.55141%0.406SS*.  trans-91.7122.6171.1-61.5-165.3-173.800109.6E462E459-E462 HydrophobicContact CB-CB 4.15Å; E459-E462 WeakPolarHBondContact OE2-CG 3.43Å
460L57.7Low61.4Low40 Ų4081 Ų8121%0.20942%0.422CS..SBendtrans-77.4-22.2-175.2-69.2171.6000113K656 D712 L713L460-K656 HydrophobicContact CD1-CG 3.95Å; L460-K656 HydrophobicContact CD2-CG 4.27Å; L460-K656 HydrophobicContact CG-CG 4.13Å; L460-D712 WeakPolarHBondContact O-CA 3.31Å; L460-D712 VanDerWaalsContact O-CB 3.31Å; L460-D712 WeakPolarHBondContact O-CB 3.49Å; L460-L713 PolarHBondContact O-N 3.26Å
461Q56.4Low59.5Low163 Ų16383.1 Ų83.176%0.76243%0.43SS*.SBendtrans-11915.3-164.1-159154.1100114.4
462E50.2Low56.8Low85 Ų8588.2 Ų88.240%0.39746%0.458SS..  trans-88.4143.3-169.4-130.9-172.4170.200114.1E459 I464 Q716E459-E462 HydrophobicContact CB-CB 4.15Å; E459-E462 WeakPolarHBondContact OE2-CG 3.43Å; E462-I464 VanDerWaalsContact C-N 3.25Å; E462-I464 HydrophobicContact CB-CD1 4.08Å; E462-I464 HydrophobicContact CB-CG1 4.06Å; E462-I464 HydrophobicContact CG-CG1 4.4Å; E462-I464 PolarHBondContact O-N 3.02Å; E462-I464 WeakPolarHBondContact OE2-CD1 3.45Å; E462-Q716 PolarHBondContact O-NE2 3.28Å; E462-Q716 PolarHBondContact O-OE1 3.34Å
463L48.5Very low54.5Low154 Ų15490.9 Ų90.981%0.80647%0.468SS*.  trans-7945.3-178.8-82.5155.9000113.5Y465L463-Y465 PolarHBondContact O-N 3.47Å
464I46.1Very low52Low75 Ų7594.2 Ų94.239%0.38549%0.492SS..THydrogen-bonded Turntrans-81.548.5-176.9-49.7159000111.6E462 L466 L467E462-I464 VanDerWaalsContact C-N 3.25Å; E462-I464 HydrophobicContact CB-CD1 4.08Å; E462-I464 HydrophobicContact CB-CG1 4.06Å; E462-I464 HydrophobicContact CG-CG1 4.4Å; E462-I464 PolarHBondContact O-N 3.02Å; E462-I464 WeakPolarHBondContact OE2-CD1 3.45Å; I464-L466 VanDerWaalsContact C-N 3.26Å; I464-L467 HydrophobicContact CG2-CB 4.17Å
465Y43.7Very low49.9Very low175 Ų17594.2 Ų94.269%0.68650%0.496SS*.THydrogen-bonded Turntrans-81.3-15.5155.7-153.6-90.9000110.8L463L463-Y465 PolarHBondContact O-N 3.47Å
466L43.8Very low48.4Very low153 Ų15392.6 Ų92.680%0.80149%0.49SS*.SBendtrans-89-19.6-168.9-69.3175.1000115.3I464 P468I464-L466 VanDerWaalsContact C-N 3.26Å; L466-P468 WeakPolarHBondContact O-CD 3.31Å
467L41.6Very low47.2Very low120 Ų12091.5 Ų91.563%0.62847%0.473SS*.SBendtrans-97.6117.2171.2-94.585.5000109.3I464 L469I464-L467 HydrophobicContact CG2-CB 4.17Å; L467-L469 PolarHBondContact O-N 3.14Å
468P42.7Very low46.8Very low90 Ų9090.1 Ų90.158%0.58446%0.459SS*.  trans-51.6134.5167.4-21.931.4000109.1L466 N470L466-P468 WeakPolarHBondContact O-CD 3.31Å; P468-N470 WeakPolarHBondContact CB-OD1 3.41Å; P468-N470 PolarHBondContact O-N 3.43Å
469L51.3Low46.3Very low71 Ų7191.2 Ų91.237%0.37246%0.464SS..  trans-6679.8161.1-68.4171.6000106.7L467 Y471 N488 L489 R491L467-L469 PolarHBondContact O-N 3.14Å; L469-Y471 HydrophobicContact CB-CD2 3.89Å; L469-Y471 HydrophobicContact CB-CE2 3.85Å; L469-Y471 HydrophobicContact CD1-CE2 4.29Å; L469-Y471 HydrophobicContact CD2-CE2 3.83Å; L469-Y471 HydrophobicContact CG-CE2 4.2Å; L469-Y471 PolarHBondContact O-N 3.06Å; L469-N488 WeakPolarHBondContact CD1-O 3.36Å; L469-L489 WeakPolarHBondContact CD1-O 3.26Å; L469-R491 HydrophobicContact CD2-CB 4.28Å
470N40.9Very low45.7Very low132 Ų13290 Ų9071%0.70647%0.466SS*.  trans-73.761.1175.9-84.2-17.1000109P468 N472P468-N470 WeakPolarHBondContact CB-OD1 3.41Å; P468-N470 PolarHBondContact O-N 3.43Å; N470-N472 PolarHBondContact O-N 3.4Å
471Y49.1Very low45.2Very low50 Ų5093.2 Ų93.220%0.19650%0.498CS..  trans-77100.2160.4-59.4-57.1000105.9L469 H473 N488 F490 H500L469-Y471 HydrophobicContact CB-CD2 3.89Å; L469-Y471 HydrophobicContact CB-CE2 3.85Å; L469-Y471 HydrophobicContact CD1-CE2 4.29Å; L469-Y471 HydrophobicContact CD2-CE2 3.83Å; L469-Y471 HydrophobicContact CG-CE2 4.2Å; L469-Y471 PolarHBondContact O-N 3.06Å; Y471-H473 PolarHBondContact O-N 3.02Å; Y471-N488 HydrophobicContact CD2-CB 3.99Å; Y471-N488 HydrophobicContact CE2-CB 3.76Å; Y471-F490 PolarHBondContact OH-O 3.21Å; Y471-H500 HydrophobicContact CD1-CB 3.81Å; Y471-H500 AromaticContact CD1-CD2 3.32Å; Y471-H500 WeakPolarHBondContact CD1-CD2 3.5Å; Y471-H500 AromaticContact CD1-CE1 3.89Å; Y471-H500 AromaticContact CD1-CG 3.33Å; Y471-H500 AromaticContact CD1-ND1 3.74Å; Y471-H500 AromaticContact CD1-NE2 3.69Å; Y471-H500 HydrophobicContact CE1-CB 3.81Å; Y471-H500 AromaticContact CE1-CD2 3.76Å; Y471-H500 AromaticContact CE1-CE1 3.62Å; Y471-H500 AromaticContact CE1-CG 3.34Å; Y471-H500 AromaticContact CE1-ND1 3.28Å; Y471-H500 VanDerWaalsContact CE1-ND1 3.28Å; Y471-H500 WeakPolarHBondContact CE1-ND1 3.49Å; Y471-H500 AromaticContact CE1-NE2 3.91Å; Y471-H500 AromaticContact CG-CD2 3.81Å; Y471-H500 AromaticContact CG-NE2 3.86Å; Y471-H500 AromaticContact CZ-CE1 3.77Å; Y471-H500 AromaticContact CZ-ND1 3.77Å
472N35.1Very low45.1Very low107 Ų10792.4 Ų92.457%0.57250%0.499SS*.  trans-63.289.8169-87.8-17.3000108N470 S474 S475N470-N472 PolarHBondContact O-N 3.4Å; N472-S474 PolarHBondContact O-N 3.25Å; N472-S475 WeakPolarHBondContact O-CB 3.34Å; N472-S475 PolarHBondContact O-N 2.82Å; N472-S475 PolarHBondContact O-OG 3.1Å
473H39.5Very low45.8Very low90 Ų9089.5 Ų89.542%0.41749%0.49SS..G310 helixtrans-56.6-26.5168.5-83.3-74.7000111.1Y471 S475 V476Y471-H473 PolarHBondContact O-N 3.02Å; H473-S475 PolarHBondContact O-N 2.6Å; H473-V476 PolarHBondContact O-N 3.18Å
474S35.9Very low47.1Very low72 Ų7282.7 Ų82.750%0.50345%0.454SS..G310 helixtrans-57.5-24171.351.70000113.9N472 V476 H477N472-S474 PolarHBondContact O-N 3.25Å; S474-V476 PolarHBondContact O-N 3.03Å; S474-H477 PolarHBondContact O-CD2 2.95Å; S474-H477 PolarHBondContact O-NE2 2.91Å; S474-H477 VanDerWaalsContact O-NE2 3.1Å
475S40.7Very low48.7Very low46 Ų4681 Ų8132%0.32245%0.446SS..G310 helixtrans-73.1-12.7173.967.30000113.3N335 N472 H473N335-S475 PolarHBondContact OD1-O 3.27Å; N472-S475 WeakPolarHBondContact O-CB 3.34Å; N472-S475 PolarHBondContact O-N 2.82Å; N472-S475 PolarHBondContact O-OG 3.1Å; H473-S475 PolarHBondContact O-N 2.6Å
476V44.3Very low50.7Low18 Ų1873.2 Ų73.211%0.10942%0.417CS..  trans-108.167.1-172.1-165.20000110.2H473 S474 F478 I479H473-V476 PolarHBondContact O-N 3.18Å; S474-V476 PolarHBondContact O-N 3.03Å; V476-F478 HydrophobicContact CG1-CD2 4.01Å; V476-F478 PolarHBondContact O-N 3.39Å; V476-I479 HydrophobicContact CG1-CD1 3.66Å; V476-I479 HydrophobicContact CG1-CG1 4.07Å
477H43.2Very low52.8Low81 Ų8166.5 Ų66.538%0.37538%0.382SS..THydrogen-bonded Turntrans-75.96.7-177.4-82.2-61.6000115.5I337 S474I337-H477 VanDerWaalsContact CG1-NE2 3.31Å; I337-H477 WeakPolarHBondContact CG1-NE2 3.17Å; S474-H477 PolarHBondContact O-CD2 2.95Å; S474-H477 PolarHBondContact O-NE2 2.91Å; S474-H477 VanDerWaalsContact O-NE2 3.1Å
478F49.3Very low54.8Low38 Ų3861.8 Ų61.817%0.16736%0.358CS..THydrogen-bonded Turntrans-88.6-17.5-180-35.9-69.6000113.5S332 R334 N335 R416 V476 L505S332-F478 WeakPolarHBondContact O-CD1 3.45Å; S332-F478 WeakPolarHBondContact O-CE1 3.4Å; R334-F478 VanDerWaalsContact C-CE1 3.44Å; R334-F478 WeakPolarHBondContact O-CE1 3Å; N335-F478 WeakPolarHBondContact OD1-CE2 3.43Å; N335-F478 WeakPolarHBondContact OD1-CZ 3.4Å; R416-F478 HydrophobicContact CG-CZ 4.49Å; V476-F478 HydrophobicContact CG1-CD2 4.01Å; V476-F478 PolarHBondContact O-N 3.39Å; F478-L505 HydrophobicContact CD2-CD2 4.22Å; F478-L505 HydrophobicContact CE2-CD2 4.2Å
479I49.8Very low56.9Low38 Ų3858 Ų5820%0.19533%0.333CS..SBendtrans-99.6130.3-174.7-59.7174000107.1V476 A483 L485 M504 A508V476-I479 HydrophobicContact CG1-CD1 3.66Å; V476-I479 HydrophobicContact CG1-CG1 4.07Å; I479-A483 HydrophobicContact CG2-CB 3.58Å; I479-L485 HydrophobicContact CB-CD2 4.27Å; I479-L485 HydrophobicContact CD1-CD2 3.32Å; I479-L485 HydrophobicContact CG1-CD2 4.34Å; I479-L485 HydrophobicContact CG2-CD2 3.79Å; I479-L485 HydrophobicContact CG2-CG 4.23Å; I479-M504 HydrophobicContact CD1-CE 4.44Å; I479-A508 HydrophobicContact CD1-CB 4.39Å
480P50.1Low58.6Low92 Ų9255.1 Ų55.160%0.59732%0.317SS*.  trans-52.9142.9178.7-22.830.3000110.8N482 A483P480-N482 PolarHBondContact O-N 3.38Å; P480-A483 HydrophobicContact CB-CB 3.97Å; P480-A483 HydrophobicContact CG-CB 4.03Å; P480-A483 WeakPolarHBondContact O-CB 3.38Å; P480-A483 PolarHBondContact O-N 3.07Å
481A47.8Very low60.5Low107 Ų10757.6 Ų57.688%0.88432%0.316SS*.THydrogen-bonded Turntrans-56.8-24.1-176.700000113.9
482N54.4Low62.3Low146 Ų14656.1 Ų56.178%0.78131%0.311SS*.THydrogen-bonded Turntrans-103.86.3178.4-67.50.5000113.6P480P480-N482 PolarHBondContact O-N 3.38Å
483A63.8Low64.7Low24 Ų2452.5 Ų52.520%0.19829%0.294CS..SBendtrans-78.7138.6179.800000111I479 P480 L485I479-A483 HydrophobicContact CG2-CB 3.58Å; P480-A483 HydrophobicContact CB-CB 3.97Å; P480-A483 HydrophobicContact CG-CB 4.03Å; P480-A483 WeakPolarHBondContact O-CB 3.38Å; P480-A483 PolarHBondContact O-N 3.07Å; A483-L485 PolarHBondContact O-N 3.4Å
484I76.1Confident67Low12 Ų1249 Ų496%0.06228%0.278CS..  trans-63129.3172.7-71.3175.6000108.8A551 I554 Q674 L678I484-A551 HydrophobicContact CG2-CB 3.97Å; I484-I554 HydrophobicContact CD1-CB 3.96Å; I484-I554 HydrophobicContact CD1-CG2 3.29Å; I484-Q674 HydrophobicContact CD1-CB 4.19Å; I484-Q674 HydrophobicContact CG1-CB 4.25Å; I484-Q674 HydrophobicContact CG2-CB 4.14Å; I484-Q674 VanDerWaalsContact CG2-OE1 3.3Å; I484-L678 HydrophobicContact CD1-CD1 3.51Å; I484-L678 HydrophobicContact CD1-CD2 4.14Å; I484-L678 HydrophobicContact CD1-CG 3.79Å; I484-L678 HydrophobicContact CG1-CD1 4.49Å; I484-L678 HydrophobicContact CG1-CD2 4.34Å; I484-L678 HydrophobicContact CG1-CG 4.49Å
485L80.4Confident69.4Low40 Ų4050.1 Ų50.121%0.20928%0.275CS..  trans-111.4141.9-179.4-75.4154.8000109.1I479 A483 C487 M504 Q674I479-L485 HydrophobicContact CB-CD2 4.27Å; I479-L485 HydrophobicContact CD1-CD2 3.32Å; I479-L485 HydrophobicContact CG1-CD2 4.34Å; I479-L485 HydrophobicContact CG2-CD2 3.79Å; I479-L485 HydrophobicContact CG2-CG 4.23Å; A483-L485 PolarHBondContact O-N 3.4Å; L485-C487 PolarHBondContact O-N 3.49Å; L485-M504 HydrophobicContact CD2-CE 3.53Å; L485-Q674 PolarHBondContact O-NE2 2.97Å
486P85.5Confident71.4Confident11 Ų1152.9 Ų52.97%0.07128%0.279CS..  trans-49.6125.8168.1-28.636.8000111.5N488 Q507 V547 A551P486-N488 PolarHBondContact O-ND2 3.31Å; P486-Q507 HydrophobicContact CG-CB 3.85Å; P486-Q507 HydrophobicContact CG-CG 4.43Å; P486-V547 HydrophobicContact CB-CG1 4Å; P486-A551 HydrophobicContact CG-CB 3.85Å
487C86.5Confident73.4Confident11 Ų1152.4 Ų52.47%0.07428%0.276CS..  trans-66.6136.5175.9-73.60000110.7L485 C670 T671 Q674L485-C487 PolarHBondContact O-N 3.49Å; C487-C670 HydrophobicContact CB-CB 3.96Å; C487-C670 PolarHBondContact SG-SG 3.5Å; C487-T671 PolarHBondContact N-OG1 3.17Å; C487-T671 VanDerWaalsContact N-OG1 3.1Å; C487-Q674 PolarHBondContact SG-NE2 3.1Å
488N85.5Confident75.2Confident21 Ų2160.1 Ų60.111%0.11230%0.301CS..  trans-12197.4173.7-74.2-77000109.1L469 Y471 P486 K492 H500 E667L469-N488 WeakPolarHBondContact CD1-O 3.36Å; Y471-N488 HydrophobicContact CD2-CB 3.99Å; Y471-N488 HydrophobicContact CE2-CB 3.76Å; P486-N488 PolarHBondContact O-ND2 3.31Å; N488-K492 PolarHBondContact OD1-NZ 3.11Å; N488-H500 PolarHBondContact ND2-NE2 3.04Å; N488-H500 PolarHBondContact OD1-CE1 3.31Å; N488-E667 WeakPolarHBondContact CA-OE1 3.27Å
489L86.4Confident76.8Confident12 Ų1261.6 Ų61.66%0.06331%0.311CS..  trans-95.2-16.7-173-59.6176.7000113.2L469 L666 E667 C670 T717 V720 C721L469-L489 WeakPolarHBondContact CD1-O 3.26Å; L489-L666 HydrophobicContact CD1-CB 4.36Å; L489-E667 HydrophobicContact CB-CG 3.86Å; L489-E667 HydrophobicContact CD1-CB 4.44Å; L489-E667 HydrophobicContact CD1-CG 3.79Å; L489-E667 HydrophobicContact CG-CG 3.73Å; L489-E667 PolarHBondContact N-OE1 3.16Å; L489-C670 HydrophobicContact CD1-CB 3.88Å; L489-C670 HydrophobicContact CD2-CB 4.45Å; L489-T717 HydrophobicContact CB-CG2 3.78Å; L489-T717 HydrophobicContact CD1-CG2 4.23Å; L489-V720 HydrophobicContact CD2-CB 4.49Å; L489-V720 HydrophobicContact CD2-CG1 3.81Å; L489-C721 HydrophobicContact CD1-CB 3.78Å
490F86Confident78.4Confident9 Ų961.4 Ų61.44%0.03931%0.309CS..SBendtrans-143.4164.4177.973.3-76.2000112.2Y471 K492 I660 C663 L664 E667 L713 T717Y471-F490 PolarHBondContact OH-O 3.21Å; F490-K492 HydrophobicContact CD2-CG 4.32Å; F490-K492 HydrophobicContact CE1-CG 4.47Å; F490-K492 HydrophobicContact CE2-CG 3.84Å; F490-K492 HydrophobicContact CZ-CD 4.33Å; F490-K492 HydrophobicContact CZ-CG 3.92Å; F490-I660 HydrophobicContact CE2-CG2 4.45Å; F490-I660 HydrophobicContact CZ-CG2 4.15Å; F490-C663 HydrophobicContact CD1-CB 3.72Å; F490-C663 HydrophobicContact CE1-CB 3.48Å; F490-C663 VanDerWaalsContact CE1-CB 3.48Å; F490-C663 HydrophobicContact CE2-CB 4.4Å; F490-C663 HydrophobicContact CG-CB 4.29Å; F490-C663 HydrophobicContact CZ-CB 3.86Å; F490-L664 HydrophobicContact CE1-CD2 3.91Å; F490-L664 HydrophobicContact CE1-CG 4.36Å; F490-L664 HydrophobicContact CZ-CD2 3.9Å; F490-L664 HydrophobicContact CZ-CG 4.2Å; F490-E667 HydrophobicContact CD1-CG 4.44Å; F490-E667 WeakPolarHBondContact CD1-OE1 3.36Å; F490-E667 HydrophobicContact CE1-CG 4.37Å; F490-E667 WeakPolarHBondContact CE1-OE1 3.42Å; F490-E667 PolarHBondContact N-OE1 3.08Å; F490-L713 HydrophobicContact CB-CD1 4.28Å; F490-T717 HydrophobicContact CD1-CG2 4.23Å
491R81.7Confident80Confident184 Ų18457.4 Ų57.469%0.69428%0.284SS*.  trans-76125.4179.1-168.3174.4-174.6175.11.2110.6L469L469-R491 HydrophobicContact CD2-CB 4.28Å
492K86.1Confident81.9Confident19 Ų1952.3 Ų52.38%0.08324%0.241CC..  trans-106.7145178.4-57.1179.4-173.374.60109.7F453 N488 F490 F494 L503 L544 E667F453-K492 HydrophobicContact CE1-CB 4.11Å; F453-K492 HydrophobicContact CE1-CD 4.39Å; F453-K492 HydrophobicContact CE1-CG 4.13Å; F453-K492 HydrophobicContact CZ-CD 4.3Å; N488-K492 PolarHBondContact OD1-NZ 3.11Å; F490-K492 HydrophobicContact CD2-CG 4.32Å; F490-K492 HydrophobicContact CE1-CG 4.47Å; F490-K492 HydrophobicContact CE2-CG 3.84Å; F490-K492 HydrophobicContact CZ-CD 4.33Å; F490-K492 HydrophobicContact CZ-CG 3.92Å; K492-F494 HydrophobicContact CB-CE2 3.83Å; K492-F494 HydrophobicContact CB-CZ 3.82Å; K492-F494 HydrophobicContact CD-CZ 4.09Å; K492-L503 HydrophobicContact CD-CD2 3.97Å; K492-L544 HydrophobicContact CD-CD1 4.47Å; K492-L544 HydrophobicContact CD-CD2 3.9Å; K492-E667 WeakPolarHBondContact CE-OE1 3.47Å; K492-E667 WeakPolarHBondContact CE-OE2 3.22Å; K492-E667 IonicContact NZ-OE1 3.98Å; K492-E667 PolarHBondContact NZ-OE1 2.88Å; K492-E667 IonicContact NZ-OE2 2.71Å; K492-E667 PolarHBondContact NZ-OE2 3.4Å
493S85.2Confident83.6Confident31 Ų3145.4 Ų45.422%0.21720%0.204CC..  trans-131.3129.6172.976.70000109.3N454 S457N454-S493 PolarHBondContact N-O 3.32Å; N454-S493 PolarHBondContact O-OG 3.02Å; S457-S493 WeakPolarHBondContact CB-OG 3.1Å; S457-S493 PolarHBondContact OG-OG 2.91Å
494F88.7Confident84.8Confident18 Ų1844.4 Ų44.48%0.07920%0.196CC..BIsolated β-bridgetrans-111.2155.7-175.8-59-75.7000110.3L451 N452 F453 K492 F497 L503 L544L451-F494 HydrophobicContact CB-CE1 4.36Å; L451-F494 HydrophobicContact CD2-CE1 4.12Å; L451-F494 HydrophobicContact CD2-CZ 4.3Å; N452-F494 WeakPolarHBondContact O-CA 3.37Å; F453-F494 HydrophobicContact CD2-CE1 4.42Å; F453-F494 HydrophobicContact CE1-CE1 4.36Å; F453-F494 HydrophobicContact CE2-CE1 4.16Å; F453-F494 HydrophobicContact CZ-CE1 4.14Å; K492-F494 HydrophobicContact CB-CE2 3.83Å; K492-F494 HydrophobicContact CB-CZ 3.82Å; K492-F494 HydrophobicContact CD-CZ 4.09Å; F494-F497 HydrophobicContact CB-CD1 4.07Å; F494-F497 HydrophobicContact CB-CE1 3.84Å; F494-F497 HydrophobicContact CB-CE2 4.31Å; F494-F497 HydrophobicContact CB-CG 4.4Å; F494-F497 HydrophobicContact CB-CZ 3.97Å; F494-F497 HydrophobicContact CD1-CE1 4.39Å; F494-F497 HydrophobicContact CD1-CZ 4.21Å; F494-F497 HydrophobicContact CD2-CD2 4.15Å; F494-F497 AromaticContact CD2-CE1 3.96Å; F494-F497 HydrophobicContact CD2-CE1 3.96Å; F494-F497 AromaticContact CD2-CE2 3.3Å; F494-F497 HydrophobicContact CD2-CE2 3.3Å; F494-F497 AromaticContact CD2-CZ 3.19Å; F494-F497 HydrophobicContact CD2-CZ 3.19Å; F494-F497 AromaticContact CE2-CE2 3.84Å; F494-F497 HydrophobicContact CE2-CE2 3.84Å; F494-F497 AromaticContact CE2-CZ 3.63Å; F494-F497 HydrophobicContact CE2-CZ 3.63Å; F494-F497 HydrophobicContact CG-CD1 4.49Å; F494-F497 AromaticContact CG-CE1 3.8Å; F494-F497 HydrophobicContact CG-CE1 3.8Å; F494-F497 AromaticContact CG-CE2 3.99Å; F494-F497 HydrophobicContact CG-CE2 3.99Å; F494-F497 AromaticContact CG-CZ 3.51Å; F494-F497 HydrophobicContact CG-CZ 3.51Å; F494-F497 HydrophobicContact CZ-CZ 4.3Å; F494-L503 HydrophobicContact CE2-CB 4.22Å; F494-L503 HydrophobicContact CE2-CD2 4.02Å; F494-L503 HydrophobicContact CE2-CG 4.5Å; F494-L503 HydrophobicContact CZ-CD1 4.09Å; F494-L503 HydrophobicContact CZ-CD2 3.97Å; F494-L503 HydrophobicContact CZ-CG 4.45Å; F494-L544 HydrophobicContact CE1-CD1 3.64Å; F494-L544 HydrophobicContact CZ-CD1 3.76Å
495Q85.5Confident85.3Confident95 Ų9544 Ų4444%0.44419%0.194SC..SBendtrans-71.9-35.9-179.1-64.9179.46.600112.2N452 F453 N454N452-Q495 PolarHBondContact ND2-NE2 2.78Å; N452-Q495 PolarHBondContact ND2-OE1 3.23Å; N452-Q495 PolarHBondContact O-N 2.99Å; F453-Q495 WeakPolarHBondContact O-CG 3.4Å; F453-Q495 PolarHBondContact O-NE2 2.89Å; N454-Q495 HydrophobicContact CB-CG 4.06Å
496Y83.7Confident85.9Confident104 Ų10442.1 Ų42.141%0.40818%0.184SC..SBendtrans-100.4-17.1-167.1-61.2-74.3000114.8K449 F450 N452K449-Y496 WeakPolarHBondContact O-CD2 3.23Å; K449-Y496 WeakPolarHBondContact O-CE2 3.25Å; F450-Y496 HydrophobicContact CD1-CG 4.48Å; N452-Y496 HydrophobicContact CB-CE2 4.13Å
497F85.4Confident86.3Confident8 Ų841.7 Ų41.74%0.03518%0.181CC..  trans-151.2160.7-175.771.2-97.9000111.4E408 F450 L451 F494 D499 T502 L503 I506E408-F497 HydrophobicContact CG-CB 4.38Å; E408-F497 WeakPolarHBondContact OE1-CB 3.29Å; F450-F497 VanDerWaalsContact O-CE1 3.31Å; F450-F497 WeakPolarHBondContact O-CE1 3.1Å; L451-F497 HydrophobicContact CD2-CE1 4.07Å; L451-F497 HydrophobicContact CD2-CZ 3.92Å; F494-F497 HydrophobicContact CB-CD1 4.07Å; F494-F497 HydrophobicContact CB-CE1 3.84Å; F494-F497 HydrophobicContact CB-CE2 4.31Å; F494-F497 HydrophobicContact CB-CG 4.4Å; F494-F497 HydrophobicContact CB-CZ 3.97Å; F494-F497 HydrophobicContact CD1-CE1 4.39Å; F494-F497 HydrophobicContact CD1-CZ 4.21Å; F494-F497 HydrophobicContact CD2-CD2 4.15Å; F494-F497 AromaticContact CD2-CE1 3.96Å; F494-F497 HydrophobicContact CD2-CE1 3.96Å; F494-F497 AromaticContact CD2-CE2 3.3Å; F494-F497 HydrophobicContact CD2-CE2 3.3Å; F494-F497 AromaticContact CD2-CZ 3.19Å; F494-F497 HydrophobicContact CD2-CZ 3.19Å; F494-F497 AromaticContact CE2-CE2 3.84Å; F494-F497 HydrophobicContact CE2-CE2 3.84Å; F494-F497 AromaticContact CE2-CZ 3.63Å; F494-F497 HydrophobicContact CE2-CZ 3.63Å; F494-F497 HydrophobicContact CG-CD1 4.49Å; F494-F497 AromaticContact CG-CE1 3.8Å; F494-F497 HydrophobicContact CG-CE1 3.8Å; F494-F497 AromaticContact CG-CE2 3.99Å; F494-F497 HydrophobicContact CG-CE2 3.99Å; F494-F497 AromaticContact CG-CZ 3.51Å; F494-F497 HydrophobicContact CG-CZ 3.51Å; F494-F497 HydrophobicContact CZ-CZ 4.3Å; F497-D499 WeakPolarHBondContact CD2-O 3.49Å; F497-D499 WeakPolarHBondContact CE2-O 3.27Å; F497-T502 HydrophobicContact CB-CG2 4.3Å; F497-T502 HydrophobicContact CD1-CG2 3.91Å; F497-T502 HydrophobicContact CD2-CG2 3.83Å; F497-T502 HydrophobicContact CE1-CG2 4.11Å; F497-T502 HydrophobicContact CE2-CG2 4.04Å; F497-T502 HydrophobicContact CG-CG2 3.76Å; F497-T502 HydrophobicContact CZ-CG2 4.17Å; F497-L503 HydrophobicContact CE2-CB 4.22Å; F497-L503 HydrophobicContact CZ-CB 4.17Å; F497-I506 HydrophobicContact CE1-CD1 4.42Å
498R82.2Confident86.5Confident243 Ų24342.2 Ų42.292%0.91719%0.186SC*.  trans-120.2-29.3-176.3-65.3-175.9-178.7-179.51.2113.6E408E408-R498 PolarHBondContact OE1-N 2.94Å; E408-R498 PolarHBondContact OE2-N 2.77Å
499D82.7Confident86.8Confident68 Ų6841.2 Ų41.236%0.36418%0.181SC..  trans-76.1127179.7-175.26000111E408 Q412 F497 S501 T502E408-D499 WeakPolarHBondContact OE1-CA 3.37Å; E408-D499 WeakPolarHBondContact OE1-CB 3.34Å; E408-D499 PolarHBondContact OE1-N 3.21Å; Q412-D499 PolarHBondContact NE2-OD2 3.43Å; F497-D499 WeakPolarHBondContact CD2-O 3.49Å; F497-D499 WeakPolarHBondContact CE2-O 3.27Å; D499-S501 VanDerWaalsContact CG-OG 3.22Å; D499-S501 PolarHBondContact O-N 3.43Å; D499-S501 PolarHBondContact OD1-N 2.87Å; D499-S501 WeakPolarHBondContact OD2-CB 3.2Å; D499-S501 PolarHBondContact OD2-OG 3.34Å; D499-T502 WeakPolarHBondContact O-CB 3.37Å; D499-T502 PolarHBondContact O-N 3.4Å; D499-T502 VanDerWaalsContact O-N 3.17Å; D499-T502 PolarHBondContact O-OG1 2.9Å
500H82.6Confident87.2Confident34 Ų3440.7 Ų40.716%0.15718%0.178CC..Hα-helixtrans-63-25176.9-171.174.4000112.6Y471 N488 T502 L503 M504Y471-H500 HydrophobicContact CD1-CB 3.81Å; Y471-H500 AromaticContact CD1-CD2 3.32Å; Y471-H500 WeakPolarHBondContact CD1-CD2 3.5Å; Y471-H500 AromaticContact CD1-CE1 3.89Å; Y471-H500 AromaticContact CD1-CG 3.33Å; Y471-H500 AromaticContact CD1-ND1 3.74Å; Y471-H500 AromaticContact CD1-NE2 3.69Å; Y471-H500 HydrophobicContact CE1-CB 3.81Å; Y471-H500 AromaticContact CE1-CD2 3.76Å; Y471-H500 AromaticContact CE1-CE1 3.62Å; Y471-H500 AromaticContact CE1-CG 3.34Å; Y471-H500 AromaticContact CE1-ND1 3.28Å; Y471-H500 VanDerWaalsContact CE1-ND1 3.28Å; Y471-H500 WeakPolarHBondContact CE1-ND1 3.49Å; Y471-H500 AromaticContact CE1-NE2 3.91Å; Y471-H500 AromaticContact CG-CD2 3.81Å; Y471-H500 AromaticContact CG-NE2 3.86Å; Y471-H500 AromaticContact CZ-CE1 3.77Å; Y471-H500 AromaticContact CZ-ND1 3.77Å; N488-H500 PolarHBondContact ND2-NE2 3.04Å; N488-H500 PolarHBondContact OD1-CE1 3.31Å; H500-T502 PolarHBondContact O-N 3.32Å; H500-L503 WeakPolarHBondContact O-CB 3.38Å; H500-L503 PolarHBondContact O-N 3.4Å; H500-L503 VanDerWaalsContact O-N 3.1Å; H500-M504 PolarHBondContact O-N 3.23Å; H500-M504 VanDerWaalsContact O-N 3.11Å
501S83.3Confident87.5Confident9 Ų940.5 Ų40.56%0.06318%0.178CC..Hα-helixtrans-60.9-28.6177.183.10000112.2Q412 D499 M504 L505Q412-S501 PolarHBondContact NE2-OG 3.44Å; D499-S501 VanDerWaalsContact CG-OG 3.22Å; D499-S501 PolarHBondContact O-N 3.43Å; D499-S501 PolarHBondContact OD1-N 2.87Å; D499-S501 WeakPolarHBondContact OD2-CB 3.2Å; D499-S501 PolarHBondContact OD2-OG 3.34Å; S501-M504 PolarHBondContact O-N 3.36Å; S501-L505 WeakPolarHBondContact O-CG 3.23Å; S501-L505 PolarHBondContact O-N 3.12Å
502T87.4Confident87.9Confident0 Ų034.6 Ų34.60%016%0.158CC..Hα-helixtrans-64.4-45.5173.9-52.30000111.5E408 L411 Q412 L415 F497 D499 H500 M504 L505 I506E408-T502 PolarHBondContact OE1-OG1 3.47Å; E408-T502 VanDerWaalsContact OE1-OG1 3.04Å; L411-T502 HydrophobicContact CD2-CG2 3.85Å; L411-T502 HydrophobicContact CG-CG2 4.36Å; Q412-T502 WeakPolarHBondContact CG-OG1 3.45Å; Q412-T502 PolarHBondContact NE2-OG1 3.18Å; L415-T502 HydrophobicContact CD1-CG2 3.98Å; F497-T502 HydrophobicContact CB-CG2 4.3Å; F497-T502 HydrophobicContact CD1-CG2 3.91Å; F497-T502 HydrophobicContact CD2-CG2 3.83Å; F497-T502 HydrophobicContact CE1-CG2 4.11Å; F497-T502 HydrophobicContact CE2-CG2 4.04Å; F497-T502 HydrophobicContact CG-CG2 3.76Å; F497-T502 HydrophobicContact CZ-CG2 4.17Å; D499-T502 WeakPolarHBondContact O-CB 3.37Å; D499-T502 PolarHBondContact O-N 3.4Å; D499-T502 VanDerWaalsContact O-N 3.17Å; D499-T502 PolarHBondContact O-OG1 2.9Å; H500-T502 PolarHBondContact O-N 3.32Å; T502-M504 PolarHBondContact O-N 3.35Å; T502-L505 PolarHBondContact O-N 3.39Å; T502-I506 HydrophobicContact CG2-CD1 4.32Å; T502-I506 WeakPolarHBondContact O-CG1 3.39Å; T502-I506 PolarHBondContact O-N 3.26Å
503L90.9Very high88.2Confident0 Ų033.7 Ų33.70%015%0.154CC..Hα-helixtrans-59.9-46.2174.4170.563.4000111L451 K492 F494 F497 H500 L505 I506 Q507 L544L451-L503 HydrophobicContact CD1-CD1 4.44Å; L451-L503 HydrophobicContact CD2-CD1 3.54Å; K492-L503 HydrophobicContact CD-CD2 3.97Å; F494-L503 HydrophobicContact CE2-CB 4.22Å; F494-L503 HydrophobicContact CE2-CD2 4.02Å; F494-L503 HydrophobicContact CE2-CG 4.5Å; F494-L503 HydrophobicContact CZ-CD1 4.09Å; F494-L503 HydrophobicContact CZ-CD2 3.97Å; F494-L503 HydrophobicContact CZ-CG 4.45Å; F497-L503 HydrophobicContact CE2-CB 4.22Å; F497-L503 HydrophobicContact CZ-CB 4.17Å; H500-L503 WeakPolarHBondContact O-CB 3.38Å; H500-L503 PolarHBondContact O-N 3.4Å; H500-L503 VanDerWaalsContact O-N 3.1Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.46Å; L503-I506 PolarHBondContact O-N 2.68Å; L503-Q507 HydrophobicContact CD1-CG 3.91Å; L503-Q507 HydrophobicContact CG-CG 4.46Å; L503-Q507 WeakPolarHBondContact O-CG 3.38Å; L503-Q507 PolarHBondContact O-N 2.96Å; L503-L544 HydrophobicContact CD1-CD1 4.13Å; L503-L544 HydrophobicContact CD1-CD2 4.34Å
504M88Confident88.6Confident3 Ų332.2 Ų32.22%0.01514%0.144CC..Hα-helixtrans-61.1-38.9179.5-65.8-58.1-57.100112.2I479 L485 H500 S501 T502 A508I479-M504 HydrophobicContact CD1-CE 4.44Å; L485-M504 HydrophobicContact CD2-CE 3.53Å; H500-M504 PolarHBondContact O-N 3.23Å; H500-M504 VanDerWaalsContact O-N 3.11Å; S501-M504 PolarHBondContact O-N 3.36Å; T502-M504 PolarHBondContact O-N 3.35Å; M504-A508 VanDerWaalsContact O-CB 3.23Å; M504-A508 WeakPolarHBondContact O-CB 3.42Å; M504-A508 PolarHBondContact O-N 3.17Å
505L87.8Confident88.6Confident4 Ų431.9 Ų31.92%0.02114%0.144CC..Hα-helixtrans-64.4-44.9174.7-74.8168.5000111.8Q412 L415 R416 L419 F478 S501 T502 L503 A508 I509Q412-L505 HydrophobicContact CB-CD1 4.08Å; Q412-L505 HydrophobicContact CG-CD1 4.16Å; L415-L505 HydrophobicContact CB-CB 4.14Å; L415-L505 HydrophobicContact CB-CD1 4.34Å; L415-L505 HydrophobicContact CD1-CB 4.31Å; R416-L505 HydrophobicContact CG-CD1 3.92Å; R416-L505 HydrophobicContact CG-CD2 3.63Å; R416-L505 HydrophobicContact CG-CG 4.46Å; L419-L505 HydrophobicContact CD2-CD2 4.23Å; F478-L505 HydrophobicContact CD2-CD2 4.22Å; F478-L505 HydrophobicContact CE2-CD2 4.2Å; S501-L505 WeakPolarHBondContact O-CG 3.23Å; S501-L505 PolarHBondContact O-N 3.12Å; T502-L505 PolarHBondContact O-N 3.39Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.46Å; L505-A508 PolarHBondContact O-N 3.25Å; L505-I509 VanDerWaalsContact O-CG1 3.31Å; L505-I509 WeakPolarHBondContact O-CG1 3.44Å; L505-I509 PolarHBondContact O-N 3.38Å
506I93.1Very high88.8Confident1 Ų127.6 Ų27.61%0.00512%0.124CC..Hα-helixtrans-62-45.3177.9-66.1170.1000110.5L415 L447 F450 L451 F497 T502 L503 I509 A510 L545L415-I506 HydrophobicContact CD1-CD1 4.31Å; L415-I506 HydrophobicContact CD1-CG1 3.77Å; L415-I506 HydrophobicContact CD2-CG1 4.08Å; L447-I506 HydrophobicContact CB-CG2 4.15Å; L447-I506 HydrophobicContact CD1-CG2 4.34Å; L447-I506 HydrophobicContact CD2-CG1 4.3Å; L447-I506 HydrophobicContact CD2-CG2 4.15Å; L447-I506 HydrophobicContact CG-CG2 4.46Å; F450-I506 HydrophobicContact CB-CD1 4.26Å; L451-I506 HydrophobicContact CD1-CG2 3.76Å; L451-I506 HydrophobicContact CD2-CD1 3.72Å; L451-I506 HydrophobicContact CD2-CG2 4.39Å; L451-I506 HydrophobicContact CG-CD1 4.09Å; L451-I506 HydrophobicContact CG-CG2 4.14Å; F497-I506 HydrophobicContact CE1-CD1 4.42Å; T502-I506 HydrophobicContact CG2-CD1 4.32Å; T502-I506 WeakPolarHBondContact O-CG1 3.39Å; T502-I506 PolarHBondContact O-N 3.26Å; L503-I506 PolarHBondContact O-N 2.68Å; I506-I509 WeakPolarHBondContact O-CB 3.34Å; I506-I509 PolarHBondContact O-N 3.46Å; I506-A510 PolarHBondContact O-N 3.17Å; I506-L545 HydrophobicContact CG2-CD2 3.57Å
507Q94Very high89Confident1 Ų129.2 Ų29.21%0.00513%0.129CC..Hα-helixtrans-68.9-32.5177.7-68.4-176.6-54.300112.7P486 L503 A510 G511 L544P486-Q507 HydrophobicContact CG-CB 3.85Å; P486-Q507 HydrophobicContact CG-CG 4.43Å; L503-Q507 HydrophobicContact CD1-CG 3.91Å; L503-Q507 HydrophobicContact CG-CG 4.46Å; L503-Q507 WeakPolarHBondContact O-CG 3.38Å; L503-Q507 PolarHBondContact O-N 2.96Å; Q507-A510 PolarHBondContact O-N 3.17Å; Q507-G511 PolarHBondContact O-N 2.88Å; Q507-L544 PolarHBondContact NE2-O 3.25Å
508A89.8Confident89.1Confident23 Ų2334.4 Ų34.419%0.1915%0.153CC..Hα-helixtrans-66.2-38.4173.100000111.9L419 I479 M504 L505 G511 K512L419-A508 HydrophobicContact CD1-CB 4.38Å; L419-A508 HydrophobicContact CD2-CB 4.09Å; I479-A508 HydrophobicContact CD1-CB 4.39Å; M504-A508 VanDerWaalsContact O-CB 3.23Å; M504-A508 WeakPolarHBondContact O-CB 3.42Å; M504-A508 PolarHBondContact O-N 3.17Å; L505-A508 PolarHBondContact O-N 3.25Å; A508-G511 PolarHBondContact O-N 3.39Å; A508-K512 WeakPolarHBondContact O-CB 3.18Å; A508-K512 PolarHBondContact O-N 2.72Å
509I92.1Very high89.5Confident0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-62.7-50.4172.1-69.4164.3000110.3L415 I418 L419 L422 F443 L447 L505 I506 G511 K512 I513L415-I509 HydrophobicContact CB-CD1 4.05Å; L415-I509 HydrophobicContact CD2-CD1 3.68Å; L415-I509 HydrophobicContact CG-CD1 4.47Å; I418-I509 HydrophobicContact CB-CD1 4.34Å; I418-I509 HydrophobicContact CG2-CD1 4.09Å; I418-I509 HydrophobicContact CG2-CG1 4.38Å; I418-I509 HydrophobicContact CG2-CG2 4.32Å; L419-I509 HydrophobicContact CB-CG1 3.93Å; L419-I509 HydrophobicContact CD1-CG1 4.19Å; L422-I509 HydrophobicContact CD1-CG2 3.83Å; F443-I509 HydrophobicContact CE1-CG2 3.96Å; F443-I509 HydrophobicContact CZ-CG2 3.82Å; L447-I509 HydrophobicContact CD1-CG2 4.33Å; L505-I509 VanDerWaalsContact O-CG1 3.31Å; L505-I509 WeakPolarHBondContact O-CG1 3.44Å; L505-I509 PolarHBondContact O-N 3.38Å; I506-I509 WeakPolarHBondContact O-CB 3.34Å; I506-I509 PolarHBondContact O-N 3.46Å; I509-G511 VanDerWaalsContact C-N 3.31Å; I509-G511 PolarHBondContact O-N 3.18Å; I509-K512 PolarHBondContact O-N 3.34Å; I509-I513 HydrophobicContact CG2-CD1 3.81Å; I509-I513 HydrophobicContact CG2-CG1 4.49Å; I509-I513 WeakPolarHBondContact O-CG1 3.49Å; I509-I513 PolarHBondContact O-N 3.18Å
510A94.8Very high90Very high0 Ų019.8 Ų19.80%09%0.093CC..Hα-helixtrans-55.9-46.9176.400000111.3I506 Q507 K512 I513 A514 F523 L545I506-A510 PolarHBondContact O-N 3.17Å; Q507-A510 PolarHBondContact O-N 3.17Å; A510-K512 PolarHBondContact O-N 3.24Å; A510-I513 PolarHBondContact O-N 2.94Å; A510-A514 VanDerWaalsContact O-CB 3.26Å; A510-A514 WeakPolarHBondContact O-CB 3.29Å; A510-A514 PolarHBondContact O-N 3.46Å; A510-F523 HydrophobicContact CB-CE1 4.45Å; A510-F523 HydrophobicContact CB-CE2 4.18Å; A510-F523 HydrophobicContact CB-CZ 3.63Å; A510-L545 HydrophobicContact CB-CD2 4.29Å
511G92.4Very high90.5Very high5 Ų522.6 Ų22.65%0.05211%0.11CC..Hα-helixtrans-61.2-41.8176.600000113.3Q507 A508 I509 S515 G548 G552Q507-G511 PolarHBondContact O-N 2.88Å; A508-G511 PolarHBondContact O-N 3.39Å; I509-G511 VanDerWaalsContact C-N 3.31Å; I509-G511 PolarHBondContact O-N 3.18Å; G511-S515 WeakPolarHBondContact O-CA 3.38Å; G511-S515 VanDerWaalsContact O-CB 3.29Å; G511-S515 WeakPolarHBondContact O-CB 3.2Å; G511-S515 PolarHBondContact O-N 3.41Å; G511-G548 WeakPolarHBondContact CA-O 3.44Å; G511-G548 PolarHBondContact N-O 3.05Å; G511-G552 WeakPolarHBondContact O-CA 3.39Å
512K90.5Very high91Very high60 Ų6024.7 Ų24.726%0.26112%0.12SC..Hα-helixtrans-66.8-43.8178179.859.7178.8-172.80111.9L419 L422 A508 I509 A510 S515L419-K512 HydrophobicContact CD1-CB 4.26Å; L422-K512 HydrophobicContact CB-CG 3.83Å; L422-K512 WeakPolarHBondContact O-CE 3.39Å; A508-K512 WeakPolarHBondContact O-CB 3.18Å; A508-K512 PolarHBondContact O-N 2.72Å; I509-K512 PolarHBondContact O-N 3.34Å; A510-K512 PolarHBondContact O-N 3.24Å; K512-S515 WeakPolarHBondContact O-CB 3.5Å; K512-S515 PolarHBondContact O-N 3.43Å; K512-S515 PolarHBondContact O-OG 3.44Å
513I92.4Very high91.4Very high0 Ų024.7 Ų24.70%012%0.12CC..Hα-helixtrans-63.6-50.4177.6-66.6171000109.8L422 F433 V434 F440 F443 I509 A510 S515 T519 F523L422-I513 HydrophobicContact CD1-CD1 4.09Å; L422-I513 HydrophobicContact CD1-CG1 3.81Å; L422-I513 HydrophobicContact CD2-CG1 4.19Å; F433-I513 HydrophobicContact CE1-CD1 4.37Å; V434-I513 HydrophobicContact CG2-CG2 3.48Å; V434-I513 VanDerWaalsContact CG2-CG2 3.48Å; F440-I513 HydrophobicContact CE2-CD1 4.41Å; F440-I513 HydrophobicContact CE2-CG2 3.93Å; F440-I513 HydrophobicContact CZ-CG2 4.27Å; F443-I513 HydrophobicContact CD1-CD1 4.28Å; F443-I513 HydrophobicContact CE1-CD1 3.62Å; I509-I513 HydrophobicContact CG2-CD1 3.81Å; I509-I513 HydrophobicContact CG2-CG1 4.49Å; I509-I513 WeakPolarHBondContact O-CG1 3.49Å; I509-I513 PolarHBondContact O-N 3.18Å; A510-I513 PolarHBondContact O-N 2.94Å; I513-S515 PolarHBondContact O-N 3.33Å; I513-T519 WeakPolarHBondContact O-CB 3.29Å; I513-T519 PolarHBondContact O-OG1 3.49Å; I513-F523 HydrophobicContact CB-CD2 4.25Å; I513-F523 HydrophobicContact CB-CE2 4.42Å; I513-F523 HydrophobicContact CG2-CD2 3.77Å; I513-F523 HydrophobicContact CG2-CE2 4.34Å
514A92.7Very high91.6Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-75.2-1.3-178.500000113.4A510 Q516 V520 F523 A549 Y553A510-A514 VanDerWaalsContact O-CB 3.26Å; A510-A514 WeakPolarHBondContact O-CB 3.29Å; A510-A514 PolarHBondContact O-N 3.46Å; A514-Q516 PolarHBondContact O-N 3.45Å; A514-V520 HydrophobicContact CB-CG2 4.41Å; A514-F523 HydrophobicContact CB-CB 4.42Å; A514-F523 HydrophobicContact CB-CD1 4.38Å; A514-F523 HydrophobicContact CB-CD2 4.44Å; A514-F523 HydrophobicContact CB-CG 4.16Å; A514-A549 HydrophobicContact CB-CB 3.42Å; A514-A549 VanDerWaalsContact CB-CB 3.42Å; A514-Y553 VanDerWaalsContact O-CD2 3.24Å; A514-Y553 WeakPolarHBondContact O-CD2 3.43Å
515S89.6Confident92Very high12 Ų1228 Ų288%0.08414%0.137CC..THydrogen-bonded Turntrans-67.8-4.3-17669.10000114.9G511 K512 I513 R556 I559G511-S515 WeakPolarHBondContact O-CA 3.38Å; G511-S515 VanDerWaalsContact O-CB 3.29Å; G511-S515 WeakPolarHBondContact O-CB 3.2Å; G511-S515 PolarHBondContact O-N 3.41Å; K512-S515 WeakPolarHBondContact O-CB 3.5Å; K512-S515 PolarHBondContact O-N 3.43Å; K512-S515 PolarHBondContact O-OG 3.44Å; I513-S515 PolarHBondContact O-N 3.33Å; S515-R556 WeakPolarHBondContact O-CD 3.18Å; S515-R556 PolarHBondContact O-NH1 3Å; S515-I559 WeakPolarHBondContact O-CD1 3.28Å
516Q88.6Confident92.4Very high4 Ų428.1 Ų28.12%0.01914%0.139CC..SBendtrans-110.9153.8180-56166.937.900112.2P427 A514 E518 T519 V520P427-Q516 VanDerWaalsContact C-OE1 3.31Å; P427-Q516 HydrophobicContact CB-CG 4.24Å; P427-Q516 VanDerWaalsContact O-CD 3.31Å; P427-Q516 PolarHBondContact O-NE2 3.05Å; P427-Q516 PolarHBondContact O-OE1 3.16Å; A514-Q516 PolarHBondContact O-N 3.45Å; Q516-E518 VanDerWaalsContact C-N 3.34Å; Q516-T519 HydrophobicContact CB-CG2 4.1Å; Q516-T519 VanDerWaalsContact CB-OG1 3.31Å; Q516-T519 WeakPolarHBondContact CB-OG1 3.48Å; Q516-T519 PolarHBondContact N-OG1 3.32Å; Q516-T519 PolarHBondContact O-N 3.33Å; Q516-T519 PolarHBondContact O-OG1 3.04Å; Q516-V520 WeakPolarHBondContact O-CB 3.47Å; Q516-V520 PolarHBondContact O-N 2.91Å; Q516-V520 VanDerWaalsContact O-N 3.08Å
517R87.9Confident92.5Very high139 Ų13928.1 Ų28.153%0.52514%0.138SC..Hα-helixtrans-63-42.2177.5-179.4-180178155.37.3111.5T519 E563R517-T519 PolarHBondContact O-N 3.43Å; R517-E563 IonicContact CZ-OE1 3.12Å; R517-E563 IonicContact CZ-OE2 3.44Å; R517-E563 IonicContact NE-OE2 2.92Å; R517-E563 VanDerWaalsContact NH1-CD 3.34Å; R517-E563 IonicContact NH1-OE1 3.43Å; R517-E563 PolarHBondContact NH1-OE1 3.18Å; R517-E563 IonicContact NH1-OE2 2.88Å; R517-E563 PolarHBondContact NH1-OE2 2.91Å; R517-E563 IonicContact NH2-OE1 2.9Å
518E87.3Confident92.5Very high117 Ų11733 Ų3355%0.54716%0.157SC..Hα-helixtrans-74.3-16.4-177-57.383.4176.800113Q516Q516-E518 VanDerWaalsContact C-N 3.34Å
519T91Very high92.8Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-106-27.2-174.257.10000113.7I430 C431 V434 I513 Q516 R517 F523I430-T519 HydrophobicContact CG2-CG2 4.49Å; C431-T519 HydrophobicContact CB-CG2 4.23Å; V434-T519 HydrophobicContact CB-CG2 4.23Å; V434-T519 HydrophobicContact CG2-CG2 3.86Å; I513-T519 WeakPolarHBondContact O-CB 3.29Å; I513-T519 PolarHBondContact O-OG1 3.49Å; Q516-T519 HydrophobicContact CB-CG2 4.1Å; Q516-T519 VanDerWaalsContact CB-OG1 3.31Å; Q516-T519 WeakPolarHBondContact CB-OG1 3.48Å; Q516-T519 PolarHBondContact N-OG1 3.32Å; Q516-T519 PolarHBondContact O-N 3.33Å; Q516-T519 PolarHBondContact O-OG1 3.04Å; R517-T519 PolarHBondContact O-N 3.43Å; T519-F523 VanDerWaalsContact O-CB 3.3Å; T519-F523 WeakPolarHBondContact O-CB 3.47Å; T519-F523 PolarHBondContact O-N 2.72Å
520V94Very high92.9Very high3 Ų336.1 Ų36.12%0.01817%0.17CC..Hα-helixtrans-64.2-45.9-17167.50000111.7A514 Q516 L522 F523 L524 Y553 L567A514-V520 HydrophobicContact CB-CG2 4.41Å; Q516-V520 WeakPolarHBondContact O-CB 3.47Å; Q516-V520 PolarHBondContact O-N 2.91Å; Q516-V520 VanDerWaalsContact O-N 3.08Å; V520-L522 PolarHBondContact O-N 2.91Å; V520-F523 WeakPolarHBondContact O-CB 3.36Å; V520-F523 PolarHBondContact O-N 2.9Å; V520-L524 HydrophobicContact CG2-CD1 3.94Å; V520-L524 HydrophobicContact CG2-CG 4.36Å; V520-L524 WeakPolarHBondContact O-CB 3.45Å; V520-L524 WeakPolarHBondContact O-CG 3.29Å; V520-L524 PolarHBondContact O-N 2.72Å; V520-Y553 HydrophobicContact CB-CD2 3.86Å; V520-Y553 HydrophobicContact CB-CE2 3.84Å; V520-Y553 HydrophobicContact CG1-CD2 4.09Å; V520-Y553 HydrophobicContact CG1-CE2 3.55Å; V520-Y553 HydrophobicContact CG2-CD2 3.91Å; V520-Y553 HydrophobicContact CG2-CE2 4.21Å; V520-Y553 HydrophobicContact CG2-CG 4.33Å; V520-L567 HydrophobicContact CG2-CD1 4.16Å; V520-L567 HydrophobicContact CG2-CD2 3.64Å
521D92.3Very high92.9Very high93 Ų9336.7 Ų36.750%0.49717%0.173SC..Hα-helixtrans-63-48-178.4-64.7-30.6000110.5F523 L524 D525D521-F523 VanDerWaalsContact C-N 3.33Å; D521-F523 PolarHBondContact O-N 3.36Å; D521-L524 PolarHBondContact O-N 3.33Å; D521-D525 WeakPolarHBondContact O-CB 3.29Å; D521-D525 VanDerWaalsContact O-CG 3.27Å; D521-D525 PolarHBondContact O-N 3.1Å
522L93.9Very high92.8Very high53 Ų5339.7 Ų39.728%0.27720%0.197SC..Hα-helixtrans-64.2-35.8177.8-175.254.5000112.5V434 V520 T526V434-L522 HydrophobicContact CG1-CB 4.06Å; V434-L522 HydrophobicContact CG1-CD2 3.65Å; V434-L522 HydrophobicContact CG1-CG 3.8Å; V520-L522 PolarHBondContact O-N 2.91Å; L522-T526 VanDerWaalsContact O-CB 3.31Å; L522-T526 WeakPolarHBondContact O-CB 3.39Å; L522-T526 PolarHBondContact O-N 3.28Å; L522-T526 PolarHBondContact O-OG1 3.35Å
523F96.3Very high92.9Very high1 Ų143.2 Ų43.20%0.00422%0.215CC..Hα-helixtrans-63.2-45.5173.4-175.7-77.6000111.4F440 A510 I513 A514 T519 V520 D521 T526 C527 L545 A549F440-F523 HydrophobicContact CE2-CD2 4.23Å; F440-F523 HydrophobicContact CZ-CB 4.26Å; F440-F523 AromaticContact CZ-CD2 3.59Å; F440-F523 HydrophobicContact CZ-CD2 3.59Å; F440-F523 HydrophobicContact CZ-CE2 4.27Å; F440-F523 HydrophobicContact CZ-CG 4.26Å; A510-F523 HydrophobicContact CB-CE1 4.45Å; A510-F523 HydrophobicContact CB-CE2 4.18Å; A510-F523 HydrophobicContact CB-CZ 3.63Å; I513-F523 HydrophobicContact CB-CD2 4.25Å; I513-F523 HydrophobicContact CB-CE2 4.42Å; I513-F523 HydrophobicContact CG2-CD2 3.77Å; I513-F523 HydrophobicContact CG2-CE2 4.34Å; A514-F523 HydrophobicContact CB-CB 4.42Å; A514-F523 HydrophobicContact CB-CD1 4.38Å; A514-F523 HydrophobicContact CB-CD2 4.44Å; A514-F523 HydrophobicContact CB-CG 4.16Å; T519-F523 VanDerWaalsContact O-CB 3.3Å; T519-F523 WeakPolarHBondContact O-CB 3.47Å; T519-F523 PolarHBondContact O-N 2.72Å; V520-F523 WeakPolarHBondContact O-CB 3.36Å; V520-F523 PolarHBondContact O-N 2.9Å; D521-F523 VanDerWaalsContact C-N 3.33Å; D521-F523 PolarHBondContact O-N 3.36Å; F523-T526 PolarHBondContact O-N 2.87Å; F523-C527 WeakPolarHBondContact CE1-SG 3.34Å; F523-C527 PolarHBondContact O-N 3.18Å; F523-C527 PolarHBondContact O-SG 3.02Å; F523-L545 HydrophobicContact CE1-CB 4.31Å; F523-L545 HydrophobicContact CZ-CB 4.21Å; F523-A549 HydrophobicContact CD1-CB 3.85Å; F523-A549 HydrophobicContact CE1-CB 3.71Å; F523-A549 HydrophobicContact CZ-CB 4.47Å
524L95.9Very high92.8Very high7 Ų744.4 Ų44.44%0.03722%0.223CC..Hα-helixtrans-68.6-39.4179.8-67171.2000112V520 D521 C527 R528 I546 L567 L571V520-L524 HydrophobicContact CG2-CD1 3.94Å; V520-L524 HydrophobicContact CG2-CG 4.36Å; V520-L524 WeakPolarHBondContact O-CB 3.45Å; V520-L524 WeakPolarHBondContact O-CG 3.29Å; V520-L524 PolarHBondContact O-N 2.72Å; D521-L524 PolarHBondContact O-N 3.33Å; L524-C527 PolarHBondContact O-N 3.28Å; L524-R528 WeakPolarHBondContact O-CG 3.2Å; L524-R528 PolarHBondContact O-N 3.36Å; L524-R528 PolarHBondContact O-NE 3.19Å; L524-I546 HydrophobicContact CD2-CB 4.42Å; L524-I546 HydrophobicContact CD2-CG1 3.97Å; L524-I546 HydrophobicContact CD2-CG2 3.96Å; L524-L567 HydrophobicContact CD1-CD1 3.82Å; L524-L571 HydrophobicContact CD1-CD1 4.19Å; L524-L571 HydrophobicContact CD1-CD2 4.08Å; L524-L571 HydrophobicContact CD2-CD1 4.43Å; L524-L571 HydrophobicContact CD2-CD2 4.21Å
525D95Very high92.4Very high64 Ų6451.2 Ų51.234%0.34226%0.259SS..Hα-helixtrans-59.5-49.9171.3-72.5-21.9000110.6D521 C527 R528 D529D521-D525 WeakPolarHBondContact O-CB 3.29Å; D521-D525 VanDerWaalsContact O-CG 3.27Å; D521-D525 PolarHBondContact O-N 3.1Å; D525-C527 VanDerWaalsContact C-N 3.3Å; D525-C527 PolarHBondContact O-N 3.29Å; D525-R528 CarbonylContact O-C 3.58Å; D525-R528 WeakPolarHBondContact O-CA 3.44Å; D525-R528 WeakPolarHBondContact O-CB 3.37Å; D525-R528 PolarHBondContact O-N 3.45Å; D525-R528 IonicContact OD1-CZ 2.7Å; D525-R528 IonicContact OD1-NE 3.92Å; D525-R528 IonicContact OD1-NH1 2.75Å; D525-R528 IonicContact OD1-NH2 3.45Å; D525-R528 PolarHBondContact OD1-NH2 3.44Å; D525-D529 PolarHBondContact O-N 3.34Å
526T96.1Very high92.1Very high8 Ų854.3 Ų54.35%0.04928%0.275CS..Hα-helixtrans-58.7-41.1177.9-580000111.7F440 H441 C444 L522 F523 R528 D529 I530F440-T526 HydrophobicContact CD1-CG2 4.16Å; F440-T526 HydrophobicContact CE1-CG2 3.93Å; F440-T526 WeakPolarHBondContact CE1-OG1 3.38Å; H441-T526 HydrophobicContact CB-CG2 4.31Å; C444-T526 HydrophobicContact CB-CG2 3.97Å; L522-T526 VanDerWaalsContact O-CB 3.31Å; L522-T526 WeakPolarHBondContact O-CB 3.39Å; L522-T526 PolarHBondContact O-N 3.28Å; L522-T526 PolarHBondContact O-OG1 3.35Å; F523-T526 PolarHBondContact O-N 2.87Å; T526-R528 VanDerWaalsContact C-N 3.32Å; T526-R528 PolarHBondContact O-N 3.15Å; T526-D529 PolarHBondContact O-N 2.86Å; T526-I530 HydrophobicContact CG2-CD1 4.01Å; T526-I530 WeakPolarHBondContact O-CD1 3.31Å; T526-I530 WeakPolarHBondContact O-CG1 3.35Å; T526-I530 PolarHBondContact O-N 3.42Å
527C96.5Very high92Very high0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-63.4-38.5175.3-70.10000112.1F523 L524 D525 M531 C542 I546F523-C527 WeakPolarHBondContact CE1-SG 3.34Å; F523-C527 PolarHBondContact O-N 3.18Å; F523-C527 PolarHBondContact O-SG 3.02Å; L524-C527 PolarHBondContact O-N 3.28Å; D525-C527 VanDerWaalsContact C-N 3.3Å; D525-C527 PolarHBondContact O-N 3.29Å; C527-M531 VanDerWaalsContact O-CG 3.29Å; C527-M531 WeakPolarHBondContact O-CG 3.36Å; C527-M531 PolarHBondContact O-N 3.17Å; C527-C542 HydrophobicContact CB-CB 4.42Å; C527-I546 HydrophobicContact CB-CD1 4.18Å; C527-I546 HydrophobicContact CB-CG1 4.09Å
528R94.1Very high92.2Very high105 Ų10552.2 Ų52.240%0.39628%0.28SS..Hα-helixtrans-67.6-42.2176.4-75-179.7-80.4177.1-15.2112.2L524 D525 T526 I530 M531 A532L524-R528 WeakPolarHBondContact O-CG 3.2Å; L524-R528 PolarHBondContact O-N 3.36Å; L524-R528 PolarHBondContact O-NE 3.19Å; D525-R528 CarbonylContact O-C 3.58Å; D525-R528 WeakPolarHBondContact O-CA 3.44Å; D525-R528 WeakPolarHBondContact O-CB 3.37Å; D525-R528 PolarHBondContact O-N 3.45Å; D525-R528 IonicContact OD1-CZ 2.7Å; D525-R528 IonicContact OD1-NE 3.92Å; D525-R528 IonicContact OD1-NH1 2.75Å; D525-R528 IonicContact OD1-NH2 3.45Å; D525-R528 PolarHBondContact OD1-NH2 3.44Å; T526-R528 VanDerWaalsContact C-N 3.32Å; T526-R528 PolarHBondContact O-N 3.15Å; R528-I530 VanDerWaalsContact C-N 3.35Å; R528-I530 PolarHBondContact O-N 3.1Å; R528-M531 HydrophobicContact CB-CE 4.35Å; R528-M531 HydrophobicContact CG-CE 3.87Å; R528-M531 WeakPolarHBondContact O-CB 3.32Å; R528-M531 PolarHBondContact O-N 3.11Å; R528-M531 VanDerWaalsContact O-N 3.16Å; R528-A532 PolarHBondContact O-N 3.48Å
529D95.2Very high92.5Very high84 Ų8448.3 Ų48.345%0.44926%0.26SS..Hα-helixtrans-60-46.7175.1-65.7-20.3000110.4D525 T526 M531 A532 E533D525-D529 PolarHBondContact O-N 3.34Å; T526-D529 PolarHBondContact O-N 2.86Å; D529-M531 VanDerWaalsContact C-N 3.3Å; D529-M531 PolarHBondContact O-N 3.31Å; D529-A532 PolarHBondContact O-N 2.81Å; D529-A532 VanDerWaalsContact O-N 3.1Å; D529-E533 WeakPolarHBondContact O-CB 3.25Å; D529-E533 WeakPolarHBondContact O-CG 3.45Å; D529-E533 PolarHBondContact O-N 3.35Å
530I95.2Very high92.6Very high4 Ų448.5 Ų48.52%0.02126%0.262CS..Hα-helixtrans-60.8-38.5175.9-66.1162.6000111.7H441 C444 A448 T526 R528 S534 L538H441-I530 WeakPolarHBondContact NE2-CG1 3.44Å; C444-I530 HydrophobicContact CB-CD1 3.53Å; A448-I530 HydrophobicContact CB-CG2 4.38Å; T526-I530 HydrophobicContact CG2-CD1 4.01Å; T526-I530 WeakPolarHBondContact O-CD1 3.31Å; T526-I530 WeakPolarHBondContact O-CG1 3.35Å; T526-I530 PolarHBondContact O-N 3.42Å; R528-I530 VanDerWaalsContact C-N 3.35Å; R528-I530 PolarHBondContact O-N 3.1Å; I530-S534 VanDerWaalsContact O-CB 3.29Å; I530-S534 WeakPolarHBondContact O-CB 3.4Å; I530-S534 PolarHBondContact O-N 2.95Å; I530-S534 VanDerWaalsContact O-N 3.1Å; I530-S534 PolarHBondContact O-OG 3.05Å; I530-L538 HydrophobicContact CG2-CD1 4.03Å
531M93.3Very high92.7Very high12 Ų1248.5 Ų48.56%0.05926%0.261CS..Hα-helixtrans-63.3-42.9175.3-72.6-173.6-76.300111.5C527 R528 D529 S534 N536 R539 C542 I546 Y575C527-M531 VanDerWaalsContact O-CG 3.29Å; C527-M531 WeakPolarHBondContact O-CG 3.36Å; C527-M531 PolarHBondContact O-N 3.17Å; R528-M531 HydrophobicContact CB-CE 4.35Å; R528-M531 HydrophobicContact CG-CE 3.87Å; R528-M531 WeakPolarHBondContact O-CB 3.32Å; R528-M531 PolarHBondContact O-N 3.11Å; R528-M531 VanDerWaalsContact O-N 3.16Å; D529-M531 VanDerWaalsContact C-N 3.3Å; D529-M531 PolarHBondContact O-N 3.31Å; M531-S534 PolarHBondContact O-OG 2.92Å; M531-N536 WeakPolarHBondContact O-CA 3.34Å; M531-N536 PolarHBondContact O-N 2.98Å; M531-R539 HydrophobicContact SD-CB 4.46Å; M531-R539 HydrophobicContact SD-CG 4.13Å; M531-C542 HydrophobicContact CE-CB 4.19Å; M531-C542 HydrophobicContact CG-CB 3.41Å; M531-C542 VanDerWaalsContact CG-CB 3.41Å; M531-C542 HydrophobicContact SD-CB 3.62Å; M531-I546 HydrophobicContact CE-CD1 4.04Å; M531-Y575 WeakPolarHBondContact CE-OH 3.41Å
532A91.4Very high92.9Very high68 Ų6844 Ų4456%0.56224%0.238SC*.Hα-helixtrans-68.5-46.2178.300000112.4R528 D529 S534 D535R528-A532 PolarHBondContact O-N 3.48Å; D529-A532 PolarHBondContact O-N 2.81Å; D529-A532 VanDerWaalsContact O-N 3.1Å; A532-S534 VanDerWaalsContact C-N 3.27Å; A532-S534 PolarHBondContact O-N 3.32Å; A532-D535 PolarHBondContact O-N 2.97Å
533E92.9Very high93Very high133 Ų13341.8 Ų41.862%0.62123%0.226SC*.Hα-helixtrans-65.9-28.2-179.9-72.3-176177.200113.6H441 D529 D535H441-E533 IonicContact CE1-OE1 3.08Å; H441-E533 IonicContact CE1-OE2 2.93Å; H441-E533 PolarHBondContact CE1-OE2 3.1Å; H441-E533 IonicContact NE2-OE1 3.79Å; H441-E533 IonicContact NE2-OE2 3.56Å; H441-E533 PolarHBondContact NE2-OE2 3.1Å; D529-E533 WeakPolarHBondContact O-CB 3.25Å; D529-E533 WeakPolarHBondContact O-CG 3.45Å; D529-E533 PolarHBondContact O-N 3.35Å; E533-D535 VanDerWaalsContact C-N 3.3Å
534S88.8Confident93Very high26 Ų2641.8 Ų41.818%0.18223%0.226CC..THydrogen-bonded Turntrans-90.213.2178.564.40000113.7I530 M531 A532 N536 C537 L538I530-S534 VanDerWaalsContact O-CB 3.29Å; I530-S534 WeakPolarHBondContact O-CB 3.4Å; I530-S534 PolarHBondContact O-N 2.95Å; I530-S534 VanDerWaalsContact O-N 3.1Å; I530-S534 PolarHBondContact O-OG 3.05Å; M531-S534 PolarHBondContact O-OG 2.92Å; A532-S534 VanDerWaalsContact C-N 3.27Å; A532-S534 PolarHBondContact O-N 3.32Å; S534-N536 PolarHBondContact O-N 3.16Å; S534-C537 WeakPolarHBondContact O-CB 3.21Å; S534-C537 PolarHBondContact O-N 3.15Å; S534-C537 PolarHBondContact O-SG 3.45Å; S534-L538 WeakPolarHBondContact OG-CB 3.38Å; S534-L538 PolarHBondContact OG-N 3.31Å
535D85.4Confident93.1Very high142 Ų14241.4 Ų41.476%0.75922%0.224SC*.THydrogen-bonded Turntrans50.439.9-174.3-62.3-42.6000112.1A532 E533 C537A532-D535 PolarHBondContact O-N 2.97Å; E533-D535 VanDerWaalsContact C-N 3.3Å; D535-C537 PolarHBondContact O-N 3.17Å
536N83.9Confident93.2Very high77 Ų7738.4 Ų38.441%0.41221%0.208SC..THydrogen-bonded Turntrans62.48.3-173.8-69.5-61.8000116.8M531 S534 L538 R539M531-N536 WeakPolarHBondContact O-CA 3.34Å; M531-N536 PolarHBondContact O-N 2.98Å; S534-N536 PolarHBondContact O-N 3.16Å; N536-L538 PolarHBondContact O-N 2.92Å; N536-R539 HydrophobicContact CB-CB 4.29Å; N536-R539 WeakPolarHBondContact O-CB 3.39Å; N536-R539 PolarHBondContact O-N 2.97Å; N536-R539 VanDerWaalsContact O-N 3.1Å
537C86.6Confident93.2Very high84 Ų8438 Ų3857%0.56821%0.206SC*.THydrogen-bonded Turntrans-61.7-33.7176.2-65.90000112.4S534 D535S534-C537 WeakPolarHBondContact O-CB 3.21Å; S534-C537 PolarHBondContact O-N 3.15Å; S534-C537 PolarHBondContact O-SG 3.45Å; D535-C537 PolarHBondContact O-N 3.17Å
538L91.3Very high93Very high15 Ų1538.1 Ų38.18%0.07921%0.206CC..THydrogen-bonded Turntrans-95.210.8177.7-62.1177.5000113.5A448 K449 I530 S534 N536 N540 S541 C542A448-L538 HydrophobicContact CB-CD1 4.22Å; K449-L538 HydrophobicContact CG-CD1 4.09Å; I530-L538 HydrophobicContact CG2-CD1 4.03Å; S534-L538 WeakPolarHBondContact OG-CB 3.38Å; S534-L538 PolarHBondContact OG-N 3.31Å; N536-L538 PolarHBondContact O-N 2.92Å; L538-N540 PolarHBondContact O-N 2.83Å; L538-S541 WeakPolarHBondContact O-CA 3.02Å; L538-S541 WeakPolarHBondContact O-CB 3.49Å; L538-S541 PolarHBondContact O-N 3.32Å; L538-C542 PolarHBondContact O-N 2.9Å
539R92.7Very high93.1Very high35 Ų3533.1 Ų33.113%0.13219%0.188CC..Hα-helixtrans-50.1-52.1-177.3-178.9178.370.1-160.80.9112.9M531 N536 S541 C542 L543 N658 T661M531-R539 HydrophobicContact SD-CB 4.46Å; M531-R539 HydrophobicContact SD-CG 4.13Å; N536-R539 HydrophobicContact CB-CB 4.29Å; N536-R539 WeakPolarHBondContact O-CB 3.39Å; N536-R539 PolarHBondContact O-N 2.97Å; N536-R539 VanDerWaalsContact O-N 3.1Å; R539-S541 VanDerWaalsContact C-N 3.29Å; R539-S541 PolarHBondContact O-N 3.32Å; R539-C542 PolarHBondContact O-N 3.36Å; R539-L543 HydrophobicContact CG-CD1 4.4Å; R539-L543 WeakPolarHBondContact O-CG 3.28Å; R539-L543 PolarHBondContact O-N 2.67Å; R539-N658 PolarHBondContact NH2-OD1 3.5Å; R539-T661 PolarHBondContact NE-OG1 3.07Å; R539-T661 VanDerWaalsContact NE-OG1 3.1Å; R539-T661 PolarHBondContact NH2-OG1 3.44Å
540N94Very high93Very high5 Ų529.2 Ų29.23%0.02717%0.167CC..Hα-helixtrans-65.4-34-179.2-70.3-16.9000112.5F453 L538 L544 M657 I660 T661 L664F453-N540 HydrophobicContact CD2-CB 3.73Å; F453-N540 HydrophobicContact CE2-CB 3.57Å; F453-N540 HydrophobicContact CZ-CB 4.46Å; L538-N540 PolarHBondContact O-N 2.83Å; N540-L544 PolarHBondContact O-N 2.96Å; N540-L544 VanDerWaalsContact O-N 3.17Å; N540-M657 PolarHBondContact ND2-O 3.04Å; N540-I660 HydrophobicContact CB-CG2 4.24Å; N540-I660 WeakPolarHBondContact ND2-CG2 3.4Å; N540-T661 VanDerWaalsContact OD1-CA 3.28Å; N540-T661 WeakPolarHBondContact OD1-CA 3.3Å; N540-T661 WeakPolarHBondContact OD1-CB 3.46Å; N540-T661 PolarHBondContact OD1-N 3.36Å; N540-T661 PolarHBondContact OD1-OG1 3.36Å; N540-L664 HydrophobicContact CB-CD1 3.62Å; N540-L664 VanDerWaalsContact O-CD1 3.27Å; N540-L664 WeakPolarHBondContact O-CD1 3.32Å
541S95.4Very high92.9Very high2 Ų229.1 Ų29.11%0.01417%0.167CC..Hα-helixtrans-69-43.2176.9-53.60000111.3A448 L451 L538 R539 L544 L545A448-S541 WeakPolarHBondContact O-CB 3.5Å; A448-S541 PolarHBondContact O-OG 3.18Å; L451-S541 VanDerWaalsContact C-OG 3.25Å; L451-S541 PolarHBondContact O-OG 2.94Å; L538-S541 WeakPolarHBondContact O-CA 3.02Å; L538-S541 WeakPolarHBondContact O-CB 3.49Å; L538-S541 PolarHBondContact O-N 3.32Å; R539-S541 VanDerWaalsContact C-N 3.29Å; R539-S541 PolarHBondContact O-N 3.32Å; S541-L544 WeakPolarHBondContact O-CB 3.36Å; S541-L544 PolarHBondContact O-N 3.12Å; S541-L545 PolarHBondContact O-N 3.44Å
542C97.2Very high92.7Very high0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-65.4-38.9174.2-68.30000112.1C527 M531 L538 R539 L544 L545 I546C527-C542 HydrophobicContact CB-CB 4.42Å; M531-C542 HydrophobicContact CE-CB 4.19Å; M531-C542 HydrophobicContact CG-CB 3.41Å; M531-C542 VanDerWaalsContact CG-CB 3.41Å; M531-C542 HydrophobicContact SD-CB 3.62Å; L538-C542 PolarHBondContact O-N 2.9Å; R539-C542 PolarHBondContact O-N 3.36Å; C542-L544 VanDerWaalsContact C-N 3.3Å; C542-L544 PolarHBondContact O-N 3.33Å; C542-L545 WeakPolarHBondContact O-CB 3.27Å; C542-L545 PolarHBondContact O-N 3.45Å; C542-L545 VanDerWaalsContact O-N 3.1Å; C542-I546 VanDerWaalsContact O-CG1 3.32Å; C542-I546 WeakPolarHBondContact O-CG1 3.38Å; C542-I546 PolarHBondContact O-N 3.22Å
543L96.2Very high92.7Very high6 Ų626.3 Ų26.33%0.03114%0.144CC..Hα-helixtrans-59.2-40.1173-74.1175000112R539 L545 I546 V547 Y575 T661 L664 L665R539-L543 HydrophobicContact CG-CD1 4.4Å; R539-L543 WeakPolarHBondContact O-CG 3.28Å; R539-L543 PolarHBondContact O-N 2.67Å; L543-L545 VanDerWaalsContact C-N 3.32Å; L543-L545 PolarHBondContact O-N 3.45Å; L543-I546 HydrophobicContact CD2-CD1 4.42Å; L543-I546 PolarHBondContact O-N 2.96Å; L543-V547 VanDerWaalsContact O-CG2 3.3Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.3Å; L543-Y575 HydrophobicContact CD2-CD1 4.07Å; L543-Y575 HydrophobicContact CD2-CE1 3.96Å; L543-T661 HydrophobicContact CD1-CG2 3.84Å; L543-L664 HydrophobicContact CB-CB 4.28Å; L543-L664 HydrophobicContact CB-CD1 4.13Å; L543-L664 HydrophobicContact CD1-CB 4.27Å; L543-L664 HydrophobicContact CD1-CD1 4.47Å; L543-L665 HydrophobicContact CD1-CD2 4.35Å; L543-L665 HydrophobicContact CD2-CD2 4.12Å
544L96Very high92.5Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-61.8-38.8173.8-75171.8000113L451 F453 K492 F494 L503 Q507 N540 S541 C542 G548 L664L451-L544 HydrophobicContact CB-CD1 4.39Å; L451-L544 HydrophobicContact CD1-CB 3.92Å; L451-L544 HydrophobicContact CD1-CD1 4.33Å; L451-L544 HydrophobicContact CD2-CD1 4.49Å; F453-L544 HydrophobicContact CE2-CD1 3.64Å; F453-L544 HydrophobicContact CE2-CG 4.42Å; F453-L544 HydrophobicContact CZ-CD1 3.69Å; F453-L544 HydrophobicContact CZ-CG 4.39Å; K492-L544 HydrophobicContact CD-CD1 4.47Å; K492-L544 HydrophobicContact CD-CD2 3.9Å; F494-L544 HydrophobicContact CE1-CD1 3.64Å; F494-L544 HydrophobicContact CZ-CD1 3.76Å; L503-L544 HydrophobicContact CD1-CD1 4.13Å; L503-L544 HydrophobicContact CD1-CD2 4.34Å; Q507-L544 PolarHBondContact NE2-O 3.25Å; N540-L544 PolarHBondContact O-N 2.96Å; N540-L544 VanDerWaalsContact O-N 3.17Å; S541-L544 WeakPolarHBondContact O-CB 3.36Å; S541-L544 PolarHBondContact O-N 3.12Å; C542-L544 VanDerWaalsContact C-N 3.3Å; C542-L544 PolarHBondContact O-N 3.33Å; L544-G548 PolarHBondContact O-N 2.97Å; L544-L664 HydrophobicContact CD2-CD2 3.48Å; L544-L664 VanDerWaalsContact CD2-CD2 3.48Å; L544-L664 HydrophobicContact CG-CD1 4.4Å; L544-L664 HydrophobicContact CG-CD2 3.93Å
545L97.4Very high92.4Very high0 Ų020.7 Ų20.70%012%0.119CC..Hα-helixtrans-66.1-42.6174.6-64.8179.4000111.3L447 A448 L451 I506 A510 F523 S541 C542 L543 G548 A549L447-L545 HydrophobicContact CB-CD1 4.32Å; L447-L545 HydrophobicContact CB-CD2 4.12Å; L447-L545 HydrophobicContact CD1-CD2 4.48Å; A448-L545 HydrophobicContact CB-CD1 4.11Å; L451-L545 HydrophobicContact CD1-CD2 3.67Å; L451-L545 HydrophobicContact CD1-CG 4.01Å; I506-L545 HydrophobicContact CG2-CD2 3.57Å; A510-L545 HydrophobicContact CB-CD2 4.29Å; F523-L545 HydrophobicContact CE1-CB 4.31Å; F523-L545 HydrophobicContact CZ-CB 4.21Å; S541-L545 PolarHBondContact O-N 3.44Å; C542-L545 WeakPolarHBondContact O-CB 3.27Å; C542-L545 PolarHBondContact O-N 3.45Å; C542-L545 VanDerWaalsContact O-N 3.1Å; L543-L545 VanDerWaalsContact C-N 3.32Å; L543-L545 PolarHBondContact O-N 3.45Å; L545-G548 CarbonylContact O-C 3.51Å; L545-G548 WeakPolarHBondContact O-CA 3.48Å; L545-G548 PolarHBondContact O-N 3.43Å; L545-A549 WeakPolarHBondContact O-CB 3.39Å; L545-A549 PolarHBondContact O-N 2.87Å
546I97.4Very high92.3Very high0 Ų016.6 Ų16.60%09%0.093CC..Hα-helixtrans-62-44176.5-68.1166.1000110.6L524 C527 M531 C542 L543 G548 A549 I550 Y575L524-I546 HydrophobicContact CD2-CB 4.42Å; L524-I546 HydrophobicContact CD2-CG1 3.97Å; L524-I546 HydrophobicContact CD2-CG2 3.96Å; C527-I546 HydrophobicContact CB-CD1 4.18Å; C527-I546 HydrophobicContact CB-CG1 4.09Å; M531-I546 HydrophobicContact CE-CD1 4.04Å; C542-I546 VanDerWaalsContact O-CG1 3.32Å; C542-I546 WeakPolarHBondContact O-CG1 3.38Å; C542-I546 PolarHBondContact O-N 3.22Å; L543-I546 HydrophobicContact CD2-CD1 4.42Å; L543-I546 PolarHBondContact O-N 2.96Å; I546-G548 VanDerWaalsContact C-N 3.29Å; I546-G548 PolarHBondContact O-N 3.46Å; I546-A549 WeakPolarHBondContact O-CB 3.46Å; I546-A549 PolarHBondContact O-N 3.08Å; I546-A549 VanDerWaalsContact O-N 3.13Å; I546-I550 HydrophobicContact CG2-CD1 3.87Å; I546-I550 HydrophobicContact CG2-CG1 4.34Å; I546-I550 VanDerWaalsContact O-CG1 3.27Å; I546-I550 WeakPolarHBondContact O-CG1 3.27Å; I546-I550 PolarHBondContact O-N 2.84Å; I546-Y575 HydrophobicContact CD1-CE2 4.32Å; I546-Y575 WeakPolarHBondContact CD1-OH 3.38Å
547V95.9Very high91.9Very high1 Ų119 Ų191%0.00611%0.106CC..Hα-helixtrans-60.7-40.6174.7176.30000111.1P486 L543 I550 A551 M668 T671P486-V547 HydrophobicContact CB-CG1 4Å; L543-V547 VanDerWaalsContact O-CG2 3.3Å; L543-V547 WeakPolarHBondContact O-CG2 3.28Å; L543-V547 PolarHBondContact O-N 3.3Å; V547-I550 PolarHBondContact O-N 3.36Å; V547-A551 PolarHBondContact O-N 3.16Å; V547-M668 HydrophobicContact CG2-CB 3.88Å; V547-M668 HydrophobicContact CG2-CG 4.3Å; V547-T671 HydrophobicContact CG1-CG2 4.26Å; V547-T671 WeakPolarHBondContact CG1-OG1 3.23Å
548G93.5Very high91.7Very high1 Ų123.4 Ų23.41%0.0112%0.116CC..Hα-helixtrans-59.5-45.9171.600000113G511 L544 L545 I546 A551 G552G511-G548 WeakPolarHBondContact CA-O 3.44Å; G511-G548 PolarHBondContact N-O 3.05Å; L544-G548 PolarHBondContact O-N 2.97Å; L545-G548 CarbonylContact O-C 3.51Å; L545-G548 WeakPolarHBondContact O-CA 3.48Å; L545-G548 PolarHBondContact O-N 3.43Å; I546-G548 VanDerWaalsContact C-N 3.29Å; I546-G548 PolarHBondContact O-N 3.46Å; G548-A551 PolarHBondContact O-N 3.39Å; G548-G552 PolarHBondContact O-N 3.21Å
549A95.5Very high91.4Very high1 Ų123.2 Ų23.21%0.00812%0.115CC..Hα-helixtrans-60.9-46.5177.700000112.2A514 F523 L545 I546 G552 Y553A514-A549 HydrophobicContact CB-CB 3.42Å; A514-A549 VanDerWaalsContact CB-CB 3.42Å; F523-A549 HydrophobicContact CD1-CB 3.85Å; F523-A549 HydrophobicContact CE1-CB 3.71Å; F523-A549 HydrophobicContact CZ-CB 4.47Å; L545-A549 WeakPolarHBondContact O-CB 3.39Å; L545-A549 PolarHBondContact O-N 2.87Å; I546-A549 WeakPolarHBondContact O-CB 3.46Å; I546-A549 PolarHBondContact O-N 3.08Å; I546-A549 VanDerWaalsContact O-N 3.13Å; A549-G552 PolarHBondContact O-N 3.29Å; A549-Y553 WeakPolarHBondContact O-CB 3.49Å; A549-Y553 PolarHBondContact O-N 3.24Å
550I94.2Very high91.1Very high2 Ų225.1 Ų25.11%0.0113%0.131CC..Hα-helixtrans-58.5-50.3176.2-68.4165.9000110.4I546 V547 G552 Y553 I554 L571 M668 T671 V672I546-I550 HydrophobicContact CG2-CD1 3.87Å; I546-I550 HydrophobicContact CG2-CG1 4.34Å; I546-I550 VanDerWaalsContact O-CG1 3.27Å; I546-I550 WeakPolarHBondContact O-CG1 3.27Å; I546-I550 PolarHBondContact O-N 2.84Å; V547-I550 PolarHBondContact O-N 3.36Å; I550-G552 VanDerWaalsContact C-N 3.3Å; I550-G552 PolarHBondContact O-N 2.95Å; I550-Y553 PolarHBondContact O-N 2.91Å; I550-I554 HydrophobicContact CG2-CD1 3.41Å; I550-I554 VanDerWaalsContact CG2-CD1 3.41Å; I550-I554 HydrophobicContact CG2-CG1 4.13Å; I550-I554 WeakPolarHBondContact O-CB 3.35Å; I550-I554 VanDerWaalsContact O-CG1 3.25Å; I550-I554 WeakPolarHBondContact O-CG1 3.14Å; I550-I554 PolarHBondContact O-N 3.07Å; I550-L571 HydrophobicContact CD1-CD1 3.73Å; I550-L571 HydrophobicContact CG1-CD1 3.58Å; I550-M668 HydrophobicContact CD1-CG 3.49Å; I550-M668 VanDerWaalsContact CD1-CG 3.49Å; I550-M668 HydrophobicContact CD1-SD 3.91Å; I550-T671 HydrophobicContact CG2-CG2 4.24Å; I550-V672 HydrophobicContact CG2-CG2 4Å
551A91.5Very high90.6Very high2 Ų227.5 Ų27.52%0.01714%0.14CC..Hα-helixtrans-56.6-45.5179.100000111.7I484 P486 V547 G548 S555 T671I484-A551 HydrophobicContact CG2-CB 3.97Å; P486-A551 HydrophobicContact CG-CB 3.85Å; V547-A551 PolarHBondContact O-N 3.16Å; G548-A551 PolarHBondContact O-N 3.39Å; A551-S555 VanDerWaalsContact O-CB 3.29Å; A551-S555 WeakPolarHBondContact O-CB 3.48Å; A551-S555 PolarHBondContact O-N 3.41Å; A551-S555 VanDerWaalsContact O-N 3.08Å; A551-S555 PolarHBondContact O-OG 2.84Å; A551-T671 HydrophobicContact CB-CG2 3.9Å
552G89.4Confident90.1Very high10 Ų1030.8 Ų30.810%0.10316%0.163CC..Hα-helixtrans-63.8-45.1176.500000113.8G511 G548 A549 I550 S555G511-G552 WeakPolarHBondContact O-CA 3.39Å; G548-G552 PolarHBondContact O-N 3.21Å; A549-G552 PolarHBondContact O-N 3.29Å; I550-G552 VanDerWaalsContact C-N 3.3Å; I550-G552 PolarHBondContact O-N 2.95Å; G552-S555 PolarHBondContact O-N 3.11Å; G552-S555 PolarHBondContact O-OG 3.3Å
553Y92.1Very high89.7Confident10 Ų1033.1 Ų33.14%0.03917%0.174CC..Hα-helixtrans-64.7-45.5179.7-168.3-98.6000112.2A514 V520 A549 I550 S555 R556 I559 R564 L567A514-Y553 VanDerWaalsContact O-CD2 3.24Å; A514-Y553 WeakPolarHBondContact O-CD2 3.43Å; V520-Y553 HydrophobicContact CB-CD2 3.86Å; V520-Y553 HydrophobicContact CB-CE2 3.84Å; V520-Y553 HydrophobicContact CG1-CD2 4.09Å; V520-Y553 HydrophobicContact CG1-CE2 3.55Å; V520-Y553 HydrophobicContact CG2-CD2 3.91Å; V520-Y553 HydrophobicContact CG2-CE2 4.21Å; V520-Y553 HydrophobicContact CG2-CG 4.33Å; A549-Y553 WeakPolarHBondContact O-CB 3.49Å; A549-Y553 PolarHBondContact O-N 3.24Å; I550-Y553 PolarHBondContact O-N 2.91Å; Y553-S555 VanDerWaalsContact C-N 3.33Å; Y553-S555 PolarHBondContact O-N 2.69Å; Y553-R556 PolarHBondContact O-N 3.3Å; Y553-I559 HydrophobicContact CD2-CD1 3.82Å; Y553-I559 HydrophobicContact CE1-CD1 4.33Å; Y553-I559 HydrophobicContact CE1-CG2 4.3Å; Y553-I559 HydrophobicContact CE2-CD1 3.55Å; Y553-I559 HydrophobicContact CG-CD1 4.37Å; Y553-R564 HydrophobicContact CD1-CG 4.37Å; Y553-R564 HydrophobicContact CE1-CB 4.46Å; Y553-R564 HydrophobicContact CE1-CG 4.23Å; Y553-L567 HydrophobicContact CD1-CB 4.38Å; Y553-L567 HydrophobicContact CD1-CD2 3.25Å; Y553-L567 HydrophobicContact CD1-CG 4.43Å; Y553-L567 HydrophobicContact CD2-CD2 4.24Å; Y553-L567 HydrophobicContact CE1-CB 4.02Å; Y553-L567 HydrophobicContact CE1-CD2 3.53Å; Y553-L567 HydrophobicContact CE1-CG 4.38Å; Y553-L567 HydrophobicContact CE2-CD2 4.47Å; Y553-L567 HydrophobicContact CG-CD2 3.63Å
554I88.9Confident89.3Confident0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-66-37.7179.9-61.7171.4000110.9I484 I550 R556 R564 C568 L675 L678I484-I554 HydrophobicContact CD1-CB 3.96Å; I484-I554 HydrophobicContact CD1-CG2 3.29Å; I550-I554 HydrophobicContact CG2-CD1 3.41Å; I550-I554 VanDerWaalsContact CG2-CD1 3.41Å; I550-I554 HydrophobicContact CG2-CG1 4.13Å; I550-I554 WeakPolarHBondContact O-CB 3.35Å; I550-I554 VanDerWaalsContact O-CG1 3.25Å; I550-I554 WeakPolarHBondContact O-CG1 3.14Å; I550-I554 PolarHBondContact O-N 3.07Å; I554-R556 PolarHBondContact O-N 3.16Å; I554-R556 VanDerWaalsContact O-N 3.08Å; I554-R564 WeakPolarHBondContact O-CD 3.27Å; I554-R564 PolarHBondContact O-NH1 3.24Å; I554-C568 VanDerWaalsContact CD1-SG 3.51Å; I554-L675 HydrophobicContact CD1-CB 4.38Å; I554-L675 HydrophobicContact CG2-CB 3.85Å; I554-L675 HydrophobicContact CG2-CD1 3.56Å; I554-L675 HydrophobicContact CG2-CG 4.28Å; I554-L678 HydrophobicContact CG2-CD1 3.96Å; I554-L678 VanDerWaalsContact O-CD1 3.29Å; I554-L678 WeakPolarHBondContact O-CD1 2.98Å
555S85.9Confident88.9Confident41 Ų4134.2 Ų34.229%0.28718%0.178SC..THydrogen-bonded Turntrans-62.8-15.5-177.374.50000114.9A551 G552 Y553 D557A551-S555 VanDerWaalsContact O-CB 3.29Å; A551-S555 WeakPolarHBondContact O-CB 3.48Å; A551-S555 PolarHBondContact O-N 3.41Å; A551-S555 VanDerWaalsContact O-N 3.08Å; A551-S555 PolarHBondContact O-OG 2.84Å; G552-S555 PolarHBondContact O-N 3.11Å; G552-S555 PolarHBondContact O-OG 3.3Å; Y553-S555 VanDerWaalsContact C-N 3.33Å; Y553-S555 PolarHBondContact O-N 2.69Å; S555-D557 PolarHBondContact O-N 2.87Å
556R83Confident88.6Confident57 Ų5738.9 Ų38.922%0.21520%0.203CC..  trans-92.5105.9-168-169.7178.6-176.3-166.6-0.2113.5S515 Y553 I554 K558 I559 R564S515-R556 WeakPolarHBondContact O-CD 3.18Å; S515-R556 PolarHBondContact O-NH1 3Å; Y553-R556 PolarHBondContact O-N 3.3Å; I554-R556 PolarHBondContact O-N 3.16Å; I554-R556 VanDerWaalsContact O-N 3.08Å; R556-K558 HydrophobicContact CG-CB 4.46Å; R556-K558 PolarHBondContact O-N 3.32Å; R556-I559 HydrophobicContact CB-CD1 4.39Å; R556-I559 PolarHBondContact O-N 3.41Å; R556-I559 VanDerWaalsContact O-N 3.15Å; R556-R564 PolarHBondContact O-NE 3.01Å; R556-R564 PolarHBondContact O-NH1 3.21Å; R556-R564 PolarHBondContact O-NH2 3.35Å
557D75.2Confident88.3Confident127 Ų12739.8 Ų39.868%0.67921%0.208SC*.THydrogen-bonded Turntrans-55.7-26.1-177.3-66.3-26.9000116.4S555 I559 R564S555-D557 PolarHBondContact O-N 2.87Å; D557-I559 VanDerWaalsContact C-N 3.28Å; D557-I559 PolarHBondContact O-N 3.25Å; D557-R564 PolarHBondContact O-NH2 3.29Å; D557-R564 IonicContact OD1-NH1 2.84Å
558K82.3Confident88.1Confident177 Ų17739.7 Ų39.777%0.7721%0.207SC*.THydrogen-bonded Turntrans-69.2-21.6-179.1-65.1-171.2178-174.80114R556R556-K558 HydrophobicContact CG-CB 4.46Å; R556-K558 PolarHBondContact O-N 3.32Å
559I85.3Confident88Confident11 Ų1141.9 Ų41.96%0.05622%0.219CC..SBendtrans-86.5131.6-177.1-60.9176000108.9S515 Y553 R556 D557 W561 E563 R564S515-I559 WeakPolarHBondContact O-CD1 3.28Å; Y553-I559 HydrophobicContact CD2-CD1 3.82Å; Y553-I559 HydrophobicContact CE1-CD1 4.33Å; Y553-I559 HydrophobicContact CE1-CG2 4.3Å; Y553-I559 HydrophobicContact CE2-CD1 3.55Å; Y553-I559 HydrophobicContact CG-CD1 4.37Å; R556-I559 HydrophobicContact CB-CD1 4.39Å; R556-I559 PolarHBondContact O-N 3.41Å; R556-I559 VanDerWaalsContact O-N 3.15Å; D557-I559 VanDerWaalsContact C-N 3.28Å; D557-I559 PolarHBondContact O-N 3.25Å; I559-W561 PolarHBondContact O-N 3.14Å; I559-E563 HydrophobicContact CG2-CB 3.94Å; I559-R564 HydrophobicContact CB-CG 4.06Å; I559-R564 HydrophobicContact CG2-CG 3.67Å; I559-R564 PolarHBondContact O-NE 3.23Å; I559-R564 PolarHBondContact O-NH2 3.38Å
560P86Confident87.8Confident74 Ų7445.4 Ų45.448%0.48124%0.243SC..  trans-55.4141.5176.6-2433.8000112S562 E563 R564P560-S562 VanDerWaalsContact C-N 3.27Å; P560-S562 PolarHBondContact O-N 2.74Å; P560-E563 HydrophobicContact CB-CG 4.46Å; P560-E563 PolarHBondContact O-N 3.4Å; P560-R564 PolarHBondContact O-N 3.3Å
561W84.1Confident87.7Confident55 Ų5545.6 Ų45.621%0.20824%0.244CC..Hα-helixtrans-55.6-42.4-177.2-174.789.1000112.4I559 E563 R564 E565 L675 H692I559-W561 PolarHBondContact O-N 3.14Å; W561-E563 VanDerWaalsContact C-N 3.28Å; W561-E563 PolarHBondContact O-N 3.41Å; W561-R564 PolarHBondContact O-N 2.88Å; W561-R564 VanDerWaalsContact O-N 3.14Å; W561-E565 HydrophobicContact CE3-CB 4.46Å; W561-E565 HydrophobicContact CH2-CB 4.26Å; W561-E565 VanDerWaalsContact CH2-CD 3.41Å; W561-E565 HydrophobicContact CH2-CG 4.2Å; W561-E565 WeakPolarHBondContact CH2-OE2 3.48Å; W561-E565 HydrophobicContact CZ3-CB 4.21Å; W561-E565 HydrophobicContact CZ3-CG 4.4Å; W561-E565 WeakPolarHBondContact CZ3-OE2 3.43Å; W561-E565 PolarHBondContact O-N 3.17Å; W561-L675 HydrophobicContact CZ2-CD2 4.4Å; W561-H692 HydrophobicContact CH2-CB 3.38Å; W561-H692 HydrophobicContact CZ3-CB 3.55Å
562S84.9Confident87.8Confident72 Ų7245.5 Ų45.550%0.50324%0.243SC..Hα-helixtrans-59.5-33.2177.8-51.50000113.6P560 N566P560-S562 VanDerWaalsContact C-N 3.27Å; P560-S562 PolarHBondContact O-N 2.74Å; S562-N566 WeakPolarHBondContact O-CB 3.49Å; S562-N566 PolarHBondContact O-N 2.88Å; S562-N566 PolarHBondContact O-ND2 2.75Å; S562-N566 VanDerWaalsContact O-ND2 3.17Å
563E88.1Confident87.8Confident48 Ų4848.2 Ų48.222%0.22426%0.26CS..Hα-helixtrans-74.6-39176.7-68.2-174-177.300111.5R517 I559 P560 W561 E565 N566 L567R517-E563 IonicContact CZ-OE1 3.12Å; R517-E563 IonicContact CZ-OE2 3.44Å; R517-E563 IonicContact NE-OE2 2.92Å; R517-E563 VanDerWaalsContact NH1-CD 3.34Å; R517-E563 IonicContact NH1-OE1 3.43Å; R517-E563 PolarHBondContact NH1-OE1 3.18Å; R517-E563 IonicContact NH1-OE2 2.88Å; R517-E563 PolarHBondContact NH1-OE2 2.91Å; R517-E563 IonicContact NH2-OE1 2.9Å; I559-E563 HydrophobicContact CG2-CB 3.94Å; P560-E563 HydrophobicContact CB-CG 4.46Å; P560-E563 PolarHBondContact O-N 3.4Å; W561-E563 VanDerWaalsContact C-N 3.28Å; W561-E563 PolarHBondContact O-N 3.41Å; E563-E565 VanDerWaalsContact C-N 3.31Å; E563-E565 PolarHBondContact O-N 3.47Å; E563-N566 PolarHBondContact O-N 2.65Å; E563-L567 PolarHBondContact O-N 3.29Å; E563-L567 VanDerWaalsContact O-N 3.1Å
564R89Confident87.7Confident16 Ų1651.4 Ų51.46%0.0628%0.278CS..Hα-helixtrans-61.2-42.9174.1-55.9-170.1-142.8169.611.2111.3Y553 I554 R556 D557 I559 P560 W561 C568 L675Y553-R564 HydrophobicContact CD1-CG 4.37Å; Y553-R564 HydrophobicContact CE1-CB 4.46Å; Y553-R564 HydrophobicContact CE1-CG 4.23Å; I554-R564 WeakPolarHBondContact O-CD 3.27Å; I554-R564 PolarHBondContact O-NH1 3.24Å; R556-R564 PolarHBondContact O-NE 3.01Å; R556-R564 PolarHBondContact O-NH1 3.21Å; R556-R564 PolarHBondContact O-NH2 3.35Å; D557-R564 PolarHBondContact O-NH2 3.29Å; D557-R564 IonicContact OD1-NH1 2.84Å; I559-R564 HydrophobicContact CB-CG 4.06Å; I559-R564 HydrophobicContact CG2-CG 3.67Å; I559-R564 PolarHBondContact O-NE 3.23Å; I559-R564 PolarHBondContact O-NH2 3.38Å; P560-R564 PolarHBondContact O-N 3.3Å; W561-R564 PolarHBondContact O-N 2.88Å; W561-R564 VanDerWaalsContact O-N 3.14Å; R564-C568 PolarHBondContact O-N 2.65Å; R564-C568 PolarHBondContact O-SG 3.13Å; R564-L675 HydrophobicContact CB-CD1 4.03Å
565E87.6Confident87.8Confident14 Ų1452.5 Ų52.57%0.06528%0.282CS..Hα-helixtrans-63.4-49.7174.8-178-176.3-150.500112.1W561 E563 L567 C568 L569 L675 H692 F693W561-E565 HydrophobicContact CE3-CB 4.46Å; W561-E565 HydrophobicContact CH2-CB 4.26Å; W561-E565 VanDerWaalsContact CH2-CD 3.41Å; W561-E565 HydrophobicContact CH2-CG 4.2Å; W561-E565 WeakPolarHBondContact CH2-OE2 3.48Å; W561-E565 HydrophobicContact CZ3-CB 4.21Å; W561-E565 HydrophobicContact CZ3-CG 4.4Å; W561-E565 WeakPolarHBondContact CZ3-OE2 3.43Å; W561-E565 PolarHBondContact O-N 3.17Å; E563-E565 VanDerWaalsContact C-N 3.31Å; E563-E565 PolarHBondContact O-N 3.47Å; E565-L567 VanDerWaalsContact C-N 3.25Å; E565-L567 PolarHBondContact O-N 2.85Å; E565-C568 CarbonylContact O-C 3.56Å; E565-C568 WeakPolarHBondContact O-CA 3.39Å; E565-C568 WeakPolarHBondContact O-CB 3.4Å; E565-C568 PolarHBondContact O-N 3.45Å; E565-L569 WeakPolarHBondContact O-CB 3.3Å; E565-L569 PolarHBondContact O-N 3.01Å; E565-L675 HydrophobicContact CB-CD2 4.15Å; E565-H692 WeakPolarHBondContact OE1-CA 3.36Å; E565-H692 VanDerWaalsContact OE1-CB 3.23Å; E565-H692 WeakPolarHBondContact OE1-CB 3.17Å; E565-F693 PolarHBondContact OE1-N 2.99Å
566N90.1Very high87.9Confident98 Ų9851.2 Ų51.252%0.52427%0.272SS..Hα-helixtrans-57.1-39.8-179-75.7-21.6000112.3S562 E563 L569 S570S562-N566 WeakPolarHBondContact O-CB 3.49Å; S562-N566 PolarHBondContact O-N 2.88Å; S562-N566 PolarHBondContact O-ND2 2.75Å; S562-N566 VanDerWaalsContact O-ND2 3.17Å; E563-N566 PolarHBondContact O-N 2.65Å; N566-L569 PolarHBondContact O-N 3.48Å; N566-S570 WeakPolarHBondContact O-CB 3.42Å; N566-S570 PolarHBondContact O-N 3.39Å
567L91.6Very high87.7Confident18 Ų1852.3 Ų52.39%0.09428%0.281CS..Hα-helixtrans-62.5-48.4173.9-177.673.7000111.4V520 L524 Y553 E563 E565 L569 S570 L571V520-L567 HydrophobicContact CG2-CD1 4.16Å; V520-L567 HydrophobicContact CG2-CD2 3.64Å; L524-L567 HydrophobicContact CD1-CD1 3.82Å; Y553-L567 HydrophobicContact CD1-CB 4.38Å; Y553-L567 HydrophobicContact CD1-CD2 3.25Å; Y553-L567 HydrophobicContact CD1-CG 4.43Å; Y553-L567 HydrophobicContact CD2-CD2 4.24Å; Y553-L567 HydrophobicContact CE1-CB 4.02Å; Y553-L567 HydrophobicContact CE1-CD2 3.53Å; Y553-L567 HydrophobicContact CE1-CG 4.38Å; Y553-L567 HydrophobicContact CE2-CD2 4.47Å; Y553-L567 HydrophobicContact CG-CD2 3.63Å; E563-L567 PolarHBondContact O-N 3.29Å; E563-L567 VanDerWaalsContact O-N 3.1Å; E565-L567 VanDerWaalsContact C-N 3.25Å; E565-L567 PolarHBondContact O-N 2.85Å; L567-L569 VanDerWaalsContact C-N 3.32Å; L567-L569 PolarHBondContact O-N 3.02Å; L567-S570 PolarHBondContact O-N 3.42Å; L567-L571 HydrophobicContact CD1-CD1 4.34Å; L567-L571 HydrophobicContact CG-CD1 4.05Å; L567-L571 WeakPolarHBondContact O-CG 3.32Å; L567-L571 PolarHBondContact O-N 3.24Å
568C92Very high87.4Confident0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-59.7-44.9178.4-66.30000111.3I554 R564 E565 L571 M572 V672I554-C568 VanDerWaalsContact CD1-SG 3.51Å; R564-C568 PolarHBondContact O-N 2.65Å; R564-C568 PolarHBondContact O-SG 3.13Å; E565-C568 CarbonylContact O-C 3.56Å; E565-C568 WeakPolarHBondContact O-CA 3.39Å; E565-C568 WeakPolarHBondContact O-CB 3.4Å; E565-C568 PolarHBondContact O-N 3.45Å; C568-L571 PolarHBondContact O-N 3.43Å; C568-M572 VanDerWaalsContact O-CB 3.3Å; C568-M572 WeakPolarHBondContact O-CB 3.44Å; C568-M572 WeakPolarHBondContact O-CG 3.22Å; C568-M572 PolarHBondContact O-N 2.87Å; C568-V672 HydrophobicContact CB-CG1 3.73Å; C568-V672 HydrophobicContact CB-CG2 4.15Å
569L91.2Very high86.8Confident47 Ų4749.4 Ų49.425%0.24627%0.266CS..Hα-helixtrans-62.8-42.8178.3-177.461.4000111.3E565 N566 L567 S573 E695 I699E565-L569 WeakPolarHBondContact O-CB 3.3Å; E565-L569 PolarHBondContact O-N 3.01Å; N566-L569 PolarHBondContact O-N 3.48Å; L567-L569 VanDerWaalsContact C-N 3.32Å; L567-L569 PolarHBondContact O-N 3.02Å; L569-S573 VanDerWaalsContact O-CB 3.27Å; L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 2.87Å; L569-S573 PolarHBondContact O-OG 2.88Å; L569-E695 HydrophobicContact CD1-CB 4.13Å; L569-E695 HydrophobicContact CD1-CG 3.81Å; L569-I699 HydrophobicContact CD1-CD1 3.55Å
570S91.4Very high86.3Confident74 Ų7451.2 Ų51.252%0.51728%0.275SS..Hα-helixtrans-60.8-47.4175.9178.50000111.8N566 L567 S573 L574N566-S570 WeakPolarHBondContact O-CB 3.42Å; N566-S570 PolarHBondContact O-N 3.39Å; L567-S570 PolarHBondContact O-N 3.42Å; S570-S573 PolarHBondContact O-N 3.1Å; S570-L574 VanDerWaalsContact O-CB 3.32Å; S570-L574 WeakPolarHBondContact O-CB 3.25Å; S570-L574 PolarHBondContact O-N 3.24Å
571L92.5Very high85.9Confident7 Ų748.7 Ų48.74%0.03726%0.257CS..Hα-helixtrans-68.4-41.8179.7-71171.6000112.5L524 I550 L567 C568 L574 Y575L524-L571 HydrophobicContact CD1-CD1 4.19Å; L524-L571 HydrophobicContact CD1-CD2 4.08Å; L524-L571 HydrophobicContact CD2-CD1 4.43Å; L524-L571 HydrophobicContact CD2-CD2 4.21Å; I550-L571 HydrophobicContact CD1-CD1 3.73Å; I550-L571 HydrophobicContact CG1-CD1 3.58Å; L567-L571 HydrophobicContact CD1-CD1 4.34Å; L567-L571 HydrophobicContact CG-CD1 4.05Å; L567-L571 WeakPolarHBondContact O-CG 3.32Å; L567-L571 PolarHBondContact O-N 3.24Å; C568-L571 PolarHBondContact O-N 3.43Å; L571-L574 PolarHBondContact O-N 2.76Å; L571-Y575 HydrophobicContact CD2-CD2 4.28Å; L571-Y575 HydrophobicContact CD2-CE2 3.87Å; L571-Y575 WeakPolarHBondContact O-CD2 3.32Å; L571-Y575 PolarHBondContact O-N 3.4Å
572M92.4Very high85.2Confident0 Ų049.6 Ų49.60%027%0.269CS..Hα-helixtrans-60.1-49.1173.9-74.2-62.2-5900110.3C568 L574 Y575 F576 M668 F669 V672 I699C568-M572 VanDerWaalsContact O-CB 3.3Å; C568-M572 WeakPolarHBondContact O-CB 3.44Å; C568-M572 WeakPolarHBondContact O-CG 3.22Å; C568-M572 PolarHBondContact O-N 2.87Å; M572-L574 VanDerWaalsContact C-N 3.26Å; M572-L574 PolarHBondContact O-N 2.84Å; M572-Y575 PolarHBondContact O-N 2.96Å; M572-F576 HydrophobicContact CE-CD1 3.99Å; M572-F576 HydrophobicContact CE-CD2 3.38Å; M572-F576 HydrophobicContact CE-CE1 4.05Å; M572-F576 HydrophobicContact CE-CE2 3.44Å; M572-F576 VanDerWaalsContact CE-CE2 3.44Å; M572-F576 HydrophobicContact CE-CG 3.69Å; M572-F576 HydrophobicContact CE-CZ 3.81Å; M572-F576 VanDerWaalsContact O-CB 3.23Å; M572-F576 WeakPolarHBondContact O-CB 3.27Å; M572-F576 PolarHBondContact O-N 2.81Å; M572-F576 HydrophobicContact SD-CD2 3.74Å; M572-F576 HydrophobicContact SD-CE2 3.61Å; M572-F576 HydrophobicContact SD-CZ 4.39Å; M572-M668 HydrophobicContact SD-CE 3.87Å; M572-F669 HydrophobicContact CE-CB 3.97Å; M572-F669 HydrophobicContact CE-CD2 3.54Å; M572-F669 HydrophobicContact CE-CE2 4.35Å; M572-F669 HydrophobicContact CE-CG 4.04Å; M572-F669 HydrophobicContact SD-CB 4.11Å; M572-F669 HydrophobicContact SD-CD2 4.18Å; M572-V672 HydrophobicContact CG-CG1 4.33Å; M572-V672 HydrophobicContact CG-CG2 4.38Å; M572-V672 HydrophobicContact SD-CG2 4.37Å; M572-I699 HydrophobicContact CB-CG2 4.17Å; M572-I699 HydrophobicContact CE-CG2 4.16Å
573S90.8Very high84.4Confident66 Ų6647.9 Ų47.946%0.46225%0.254SS..Hα-helixtrans-61.4-34.5178.8-55.50000112.7L569 S570L569-S573 VanDerWaalsContact O-CB 3.27Å; L569-S573 WeakPolarHBondContact O-CB 3.39Å; L569-S573 PolarHBondContact O-N 2.87Å; L569-S573 PolarHBondContact O-OG 2.88Å; S570-S573 PolarHBondContact O-N 3.1Å
574L90Very high83.4Confident78 Ų7849.8 Ų49.841%0.40827%0.27SS..Hα-helixtrans-74.8-45.2-179.8-178.463.9000113S570 L571 M572S570-L574 VanDerWaalsContact O-CB 3.32Å; S570-L574 WeakPolarHBondContact O-CB 3.25Å; S570-L574 PolarHBondContact O-N 3.24Å; L571-L574 PolarHBondContact O-N 2.76Å; M572-L574 VanDerWaalsContact C-N 3.26Å; M572-L574 PolarHBondContact O-N 2.84Å
575Y89.9Confident81.9Confident22 Ų2250.2 Ų50.29%0.08628%0.275CS..Hα-helixtrans-98.1-20.8-171.1-72.3-74.4000114.6M531 L543 I546 L571 M572 D577 I580 L665 M668M531-Y575 WeakPolarHBondContact CE-OH 3.41Å; L543-Y575 HydrophobicContact CD2-CD1 4.07Å; L543-Y575 HydrophobicContact CD2-CE1 3.96Å; I546-Y575 HydrophobicContact CD1-CE2 4.32Å; I546-Y575 WeakPolarHBondContact CD1-OH 3.38Å; L571-Y575 HydrophobicContact CD2-CD2 4.28Å; L571-Y575 HydrophobicContact CD2-CE2 3.87Å; L571-Y575 WeakPolarHBondContact O-CD2 3.32Å; L571-Y575 PolarHBondContact O-N 3.4Å; M572-Y575 PolarHBondContact O-N 2.96Å; Y575-D577 PolarHBondContact O-N 3.36Å; Y575-I580 HydrophobicContact CD1-CD1 4.36Å; Y575-L665 HydrophobicContact CD1-CD2 4.4Å; Y575-L665 HydrophobicContact CG-CD2 4.29Å; Y575-M668 HydrophobicContact CD2-CE 4.35Å; Y575-M668 HydrophobicContact CD2-SD 4.19Å; Y575-M668 HydrophobicContact CG-CE 4.42Å
576F88.2Confident80.4Confident15 Ų1555.6 Ų55.67%0.06629%0.294CS..SBendtrans-8823.2170.9-79.5-111000112.4M572 L581 L665 M668 F669 I699 P703M572-F576 HydrophobicContact CE-CD1 3.99Å; M572-F576 HydrophobicContact CE-CD2 3.38Å; M572-F576 HydrophobicContact CE-CE1 4.05Å; M572-F576 HydrophobicContact CE-CE2 3.44Å; M572-F576 VanDerWaalsContact CE-CE2 3.44Å; M572-F576 HydrophobicContact CE-CG 3.69Å; M572-F576 HydrophobicContact CE-CZ 3.81Å; M572-F576 VanDerWaalsContact O-CB 3.23Å; M572-F576 WeakPolarHBondContact O-CB 3.27Å; M572-F576 PolarHBondContact O-N 2.81Å; M572-F576 HydrophobicContact SD-CD2 3.74Å; M572-F576 HydrophobicContact SD-CE2 3.61Å; M572-F576 HydrophobicContact SD-CZ 4.39Å; F576-L581 HydrophobicContact CB-CD1 4.17Å; F576-L581 HydrophobicContact CD1-CD1 4.08Å; F576-L581 HydrophobicContact CG-CD1 4.44Å; F576-L581 WeakPolarHBondContact O-CD1 3.43Å; F576-L665 HydrophobicContact CE2-CB 4.06Å; F576-L665 WeakPolarHBondContact CE2-O 3.42Å; F576-L665 HydrophobicContact CZ-CB 4.14Å; F576-L665 WeakPolarHBondContact CZ-O 3.09Å; F576-M668 HydrophobicContact CD2-CE 3.73Å; F576-M668 HydrophobicContact CE2-CE 3.55Å; F576-F669 HydrophobicContact CE1-CB 4.26Å; F576-F669 HydrophobicContact CE2-CB 4Å; F576-F669 HydrophobicContact CZ-CB 3.47Å; F576-F669 VanDerWaalsContact CZ-CB 3.47Å; F576-F669 HydrophobicContact CZ-CG 4.26Å; F576-I699 HydrophobicContact CB-CG2 3.69Å; F576-I699 HydrophobicContact CG-CG2 4.34Å; F576-P703 HydrophobicContact CD1-CB 4.42Å; F576-P703 HydrophobicContact CD1-CG 4.24Å
577D79.2Confident78.5Confident79 Ų7958 Ų5842%0.42230%0.302SS..  trans-63.7146.2170.8-161.4-11.8000111.1Y575 D579 I580 L581Y575-D577 PolarHBondContact O-N 3.36Å; D577-D579 PolarHBondContact O-N 3.4Å; D577-I580 PolarHBondContact O-N 2.89Å; D577-L581 WeakPolarHBondContact O-CG 3.33Å; D577-L581 PolarHBondContact O-N 3.43Å; D577-L581 VanDerWaalsContact O-N 3.13Å
578R68.3Low76Confident121 Ų12160.6 Ų60.646%0.45732%0.322SS..Hα-helixtrans-57.4-36.2-178.5-72.2-167.3-167.4-138.87.5111.1I580 L581 T582 D752 R755R578-I580 PolarHBondContact O-N 3.18Å; R578-L581 PolarHBondContact O-N 2.84Å; R578-T582 VanDerWaalsContact O-CB 3.28Å; R578-T582 WeakPolarHBondContact O-CB 3.38Å; R578-T582 WeakPolarHBondContact O-CG2 3.26Å; R578-T582 PolarHBondContact O-N 3.47Å; R578-T582 PolarHBondContact O-OG1 3.42Å; R578-D752 IonicContact CZ-OD1 2.86Å; R578-D752 IonicContact NH1-OD1 3.01Å; R578-D752 PolarHBondContact NH1-OD1 3.26Å; R578-D752 IonicContact NH1-OD2 2.83Å; R578-D752 IonicContact NH2-OD1 2.78Å; R578-D752 PolarHBondContact NH2-OD1 3.16Å; R578-R755 VanDerWaalsContact NH1-NH2 3.11Å
579D70.1Confident73.2Confident123 Ų12369.9 Ų69.966%0.65836%0.363SS*.Hα-helixtrans-66.1-37.7-177.4-67.8-9.7000112.5D577 T582D577-D579 PolarHBondContact O-N 3.4Å; D579-T582 PolarHBondContact O-OG1 2.97Å
580I75.9Confident70.1Confident49 Ų4976.1 Ų76.125%0.25138%0.384SS..Hα-helixtrans-75.4-41.4178.5-58.7172.4000110Y575 D577 R578 T582 L583 L665Y575-I580 HydrophobicContact CD1-CD1 4.36Å; D577-I580 PolarHBondContact O-N 2.89Å; R578-I580 PolarHBondContact O-N 3.18Å; I580-T582 PolarHBondContact O-N 2.93Å; I580-L583 HydrophobicContact CG2-CD1 4.26Å; I580-L583 WeakPolarHBondContact O-CB 3.18Å; I580-L583 WeakPolarHBondContact O-CD1 3.21Å; I580-L583 WeakPolarHBondContact O-CG 3.48Å; I580-L583 PolarHBondContact O-N 3.28Å; I580-L665 HydrophobicContact CG2-CD1 3.78Å
581L77.3Confident67Low20 Ų2077.8 Ų77.811%0.10539%0.391CS..Hα-helixtrans-73-16-178.8-64.1176.3000113.4F576 D577 R578 L665 P703 F707F576-L581 HydrophobicContact CB-CD1 4.17Å; F576-L581 HydrophobicContact CD1-CD1 4.08Å; F576-L581 HydrophobicContact CG-CD1 4.44Å; F576-L581 WeakPolarHBondContact O-CD1 3.43Å; D577-L581 WeakPolarHBondContact O-CG 3.33Å; D577-L581 PolarHBondContact O-N 3.43Å; D577-L581 VanDerWaalsContact O-N 3.13Å; R578-L581 PolarHBondContact O-N 2.84Å; L581-L665 HydrophobicContact CD2-CD1 3.71Å; L581-P703 HydrophobicContact CD1-CB 3.8Å; L581-P703 HydrophobicContact CD1-CG 3.77Å; L581-F707 HydrophobicContact CB-CZ 4.26Å; L581-F707 HydrophobicContact CD2-CE2 4.1Å; L581-F707 HydrophobicContact CD2-CZ 4.39Å
582T68.2Low63.7Low74 Ų7484.6 Ų84.645%0.45443%0.427SS..THydrogen-bonded Turntrans-96.58.6177.655.10000113.9R578 D579 I580R578-T582 VanDerWaalsContact O-CB 3.28Å; R578-T582 WeakPolarHBondContact O-CB 3.38Å; R578-T582 WeakPolarHBondContact O-CG2 3.26Å; R578-T582 PolarHBondContact O-N 3.47Å; R578-T582 PolarHBondContact O-OG1 3.42Å; D579-T582 PolarHBondContact O-OG1 2.97Å; I580-T582 PolarHBondContact O-N 2.93Å
583L68.9Low60.5Low37 Ų3789.4 Ų89.419%0.19446%0.457CS..SBendtrans-46.7139.9173-81.1164.3000111.5I580 T585 N658 T661I580-L583 HydrophobicContact CG2-CD1 4.26Å; I580-L583 WeakPolarHBondContact O-CB 3.18Å; I580-L583 WeakPolarHBondContact O-CD1 3.21Å; I580-L583 WeakPolarHBondContact O-CG 3.48Å; I580-L583 PolarHBondContact O-N 3.28Å; L583-T585 WeakPolarHBondContact O-CG2 3.45Å; L583-T585 PolarHBondContact O-N 3.07Å; L583-N658 HydrophobicContact CB-CB 4.01Å; L583-T661 HydrophobicContact CD1-CG2 4.23Å
584P66.1Low57.4Low87 Ų8792.6 Ų92.657%0.56547%0.474SS*.  trans-57.9111.4180-24.733.4000111.3N658P584-N658 WeakPolarHBondContact O-CB 3.31Å; P584-N658 PolarHBondContact O-ND2 3.42Å
585T57.6Low54.5Low25 Ų2593.3 Ų93.315%0.15349%0.485CS..  trans-118-0.7178.451.80000113.2L583 N658 I662 I714L583-T585 WeakPolarHBondContact O-CG2 3.45Å; L583-T585 PolarHBondContact O-N 3.07Å; T585-N658 HydrophobicContact CG2-CB 4.24Å; T585-I662 HydrophobicContact CG2-CD1 3.44Å; T585-I662 VanDerWaalsContact CG2-CD1 3.44Å; T585-I714 HydrophobicContact CG2-CD1 3.69Å
586R56.6Low51.5Low127 Ų12798.7 Ų98.748%0.47952%0.516SS..SBendtrans-125.4142.6176.2-67.4-177.9176.9178-1.1108.7S588 L655R586-S588 PolarHBondContact O-N 3.41Å; R586-S588 VanDerWaalsContact O-N 3.16Å; R586-L655 VanDerWaalsContact C-CD2 3.48Å; R586-L655 WeakPolarHBondContact O-CD2 3.49Å
587Q49.7Very low48.5Very low148 Ų148104.9 Ų104.969%0.69255%0.549SS*.  trans-56.9121.9167.2-72.9177.9-18.700108.1K589 L655Q587-K589 PolarHBondContact O-N 2.98Å; Q587-L655 HydrophobicContact CB-CD1 4.49Å; Q587-L655 HydrophobicContact CG-CD1 3.54Å
588S40.2Very low46.1Very low74 Ų74108.9 Ų108.952%0.51757%0.569SS.*  trans-57.4130.1171.854.30000108.3R586 Y590R586-S588 PolarHBondContact O-N 3.41Å; R586-S588 VanDerWaalsContact O-N 3.16Å; S588-Y590 VanDerWaalsContact C-N 3.25Å; S588-Y590 PolarHBondContact O-N 3.35Å; S588-Y590 VanDerWaalsContact OG-CD2 3.28Å; S588-Y590 WeakPolarHBondContact OG-CD2 3.43Å
589K33Very low44.2Very low195 Ų195108.9 Ų108.985%0.84858%0.582SS**  trans-62.292.4163-73.2177.4179.8172.70106.9Q587 V591Q587-K589 PolarHBondContact O-N 2.98Å; K589-V591 PolarHBondContact O-N 3.38Å
590Y25.8Very low42.1Very low178 Ų178109.7 Ų109.770%0.69859%0.592SS**  trans-68.8110.7170.5-106.5-85.1000108.2S588S588-Y590 VanDerWaalsContact C-N 3.25Å; S588-Y590 PolarHBondContact O-N 3.35Å; S588-Y590 VanDerWaalsContact OG-CD2 3.28Å; S588-Y590 WeakPolarHBondContact OG-CD2 3.43Å
591V25.6Very low39.8Very low109 Ų109114.8 Ų114.866%0.66162%0.62SS**  trans-65.6125.2153.3176.50000105.6K589 T593K589-V591 PolarHBondContact O-N 3.38Å; V591-T593 HydrophobicContact CG1-CG2 4.1Å; V591-T593 PolarHBondContact O-N 2.86Å
592N24.8Very low37.5Very low149 Ų149120.1 Ų120.180%0.79765%0.648SS**  trans-6487.3171.2-70.9-20.8000109.1T594N592-T594 VanDerWaalsContact C-N 3.27Å
593T23.6Very low35.6Very low101 Ų101122.9 Ų122.962%0.6266%0.66SS**  trans-95.857.9160.355.10000108.7V591 S595V591-T593 HydrophobicContact CG1-CG2 4.1Å; V591-T593 PolarHBondContact O-N 2.86Å; T593-S595 PolarHBondContact O-N 3.13Å
594T27Very low33.8Very low133 Ų133128.6 Ų128.682%0.81669%0.691SS**  trans-9259.815042.20000107.7N592N592-T594 VanDerWaalsContact C-N 3.27Å
595S27.8Very low31.9Very low93 Ų93135.4 Ų135.465%0.6571%0.708SS**  trans-95.355.9160.659.50000108.2T593T593-S595 PolarHBondContact O-N 3.13Å
596D26.9Very low30.6Very low136 Ų136141.8 Ų141.873%0.72774%0.74SS**  trans-108.687.3164.3-89-25.9000107.8I598D596-I598 PolarHBondContact O-N 2.86Å
597N26.8Very low29.1Very low145 Ų145142.7 Ų142.778%0.77575%0.752SS**  trans39.254.4130.6-62-33.7000116.8T599N597-T599 VanDerWaalsContact C-N 3.28Å; N597-T599 PolarHBondContact O-N 2.64Å; N597-T599 VanDerWaalsContact O-N 3.15Å
598I27Very low27.9Very low163 Ų163143 Ų14384%0.83676%0.758SS**  trans-80.196.2150.5-59.7-179.5000106.1D596 T600D596-I598 PolarHBondContact O-N 2.86Å; I598-T600 PolarHBondContact O-N 2.94Å
599T28.2Very low27.2Very low120 Ų120148.5 Ų148.574%0.73677%0.769SS**  trans-41.9127168.732.10000110.5N597 N601N597-T599 VanDerWaalsContact C-N 3.28Å; N597-T599 PolarHBondContact O-N 2.64Å; N597-T599 VanDerWaalsContact O-N 3.15Å; T599-N601 PolarHBondContact O-N 3.31Å
600T26.7Very low26.8Very low141 Ų141144.9 Ų144.987%0.86577%0.768SS**  trans-40.8107.2171.449.20000111.7I598I598-T600 PolarHBondContact O-N 2.94Å
601N28.9Very low26.6Very low156 Ų156142.4 Ų142.483%0.83477%0.772SS**  trans-130.298.5155.6-140.44.2000109.4T599T599-N601 PolarHBondContact O-N 3.31Å
602N27.4Very low26.5Very low131 Ų131142.6 Ų142.670%0.70178%0.778SS**  trans4.4136156.4-87.2-15.5000120.1
603N29Very low26.3Very low132 Ų132143.6 Ų143.671%0.70678%0.783SS**  trans7598.3145.1-53.2-15.8000117.4
604N30.8Very low26.3Very low158 Ų158146.8 Ų146.885%0.84579%0.794SS**  -176.5140.2111-88.2-22.4000111D606N604-D606 PolarHBondContact O-N 3.44Å
605Y27.2Very low26.1Very low230 Ų230149 Ų14990%0.90280%0.795SS**  trans-60.3119.8167.6-79.7-102000109.3
606D30Very low25.7Very low158 Ų158152.6 Ų152.685%0.84581%0.806SS**  trans-147.6122.4148.4-94.8-34.9000110N604N604-D606 PolarHBondContact O-N 3.44Å
607M24.4Very low25.5Very low146 Ų146150.9 Ų150.972%0.71980%0.804SS**  trans-76.7109.3174.1-84.4-95.7-72.600108.4Y609M607-Y609 HydrophobicContact CE-CE2 3.83Å
608D25.7Very low25.4Very low154 Ų154151.5 Ų151.582%0.82481%0.808SS**  trans-127.3117.5164.4-97.4-30000112S610D608-S610 PolarHBondContact O-N 2.86Å
609Y24.9Very low25.1Very low191 Ų191150.9 Ų150.975%0.74981%0.806SS**  trans-68.2115176.3-78.6-98.9000109.8M607M607-Y609 HydrophobicContact CE-CE2 3.83Å
610S24Very low24.9Very low118 Ų118155.2 Ų155.283%0.82581%0.809SS**  trans-14662.2168.2-71.70000110.6D608D608-S610 PolarHBondContact O-N 2.86Å
611T22.6Very low24.6Very low127 Ų127155.4 Ų155.478%0.77980%0.803SS**  trans-117.175.4171.227.80000109.4
612S22.2Very low24.3Very low112 Ų112153 Ų15378%0.78380%0.799SS**  trans-15983.2171.8-55.80000111.4
613L20.4Very low24Very low171 Ų171152.6 Ų152.690%0.89580%0.801SS**  trans-176.629.6155-104.8152.7000116.8
614I24Very low23.8Very low168 Ų168152.2 Ų152.286%0.86280%0.799SS**  trans-128.274.7175.8-48.6176.4000110.4
615H22.6Very low23.7Very low180 Ų180153.1 Ų153.183%0.83380%0.798SS**  trans-16377.6161-142.6-83.7000112.1
616L20.4Very low23.4Very low167 Ų167149.9 Ų149.987%0.87480%0.795SS**  trans-127.797.7169.2-84.6168.1000110
617S22.7Very low23.1Very low100 Ų100147.1 Ų147.170%0.69979%0.788SS**  trans164.986.4143.233.60000109.7
618N23.9Very low23.2Very low158 Ų158147.9 Ų147.985%0.84580%0.795SS**SBendtrans-176.9121.1145-98.4-18.9000109.2R620N618-R620 PolarHBondContact O-N 3.29Å
619D22.1Very low23Very low150 Ų150147.3 Ų147.380%0.80280%0.797SS**  trans-45.5117.6-176.5-65.9-53.9000114
620R23.6Very low23Very low212 Ų212143.1 Ų143.180%0.880%0.795SS**  trans-131.688.9152-76.9-166.9-174.7-177.65.2109.3N618 S622N618-R620 PolarHBondContact O-N 3.29Å; R620-S622 PolarHBondContact O-N 3.36Å
621I20Very low23.2Very low145 Ų145143.2 Ų143.274%0.74479%0.791SS**  trans-66112.6158.9-61.6169000106.9
622S23.5Very low23.2Very low106 Ų106148.8 Ų148.874%0.74180%0.8SS**  trans-146.593.2157.8-760000107.8R620 N624R620-S622 PolarHBondContact O-N 3.36Å; S622-N624 PolarHBondContact O-N 3.39Å
623T21.1Very low23.6Very low122 Ų122152.6 Ų152.675%0.74880%0.802SS**  trans-52.2119.716549.70000110.2
624N23.6Very low23.9Very low124 Ų124149.8 Ų149.866%0.66380%0.797SS**  trans-155.8134154.9-99.7-18.2000110.3S622S622-N624 PolarHBondContact O-N 3.39Å
625H28Very low23.8Very low177 Ų177153.6 Ų153.682%0.81980%0.8SS**  trans7992.9169.7-77.4-77.8000119.2
626L20.8Very low24.1Very low161 Ų161149.7 Ų149.784%0.84379%0.791SS**  trans-47159.6141.4-82.187.4000112.3
627S24.6Very low24.6Very low101 Ų101147.4 Ų147.471%0.70679%0.786SS**  trans91.486.4168.171.60000116.3
628N25.9Very low24.9Very low162 Ų162149 Ų14987%0.86679%0.791SS**  -163.597.4118.8-90.7-19.9000109.5
629V21.9Very low25.2Very low142 Ų142148.2 Ų148.286%0.86179%0.787SS**  trans-76.4148.3160.5172.30000107.5
630S25.4Very low25.5Very low102 Ų102146.5 Ų146.571%0.71379%0.787SS**  trans88.5124-174.185.50000112.1
631T27.7Very low25.9Very low120 Ų120143.1 Ų143.174%0.73679%0.785SS**  cis-157.5140.733.92.20000108.3K633T631-K633 PolarHBondContact O-N 2.85Å; T631-K633 VanDerWaalsContact O-N 3.08Å
632Y22.8Very low26.3Very low244 Ų244145.9 Ų145.996%0.95779%0.794SS**  trans-52.9111.3161.4-83.4-101.4000109.3
633K29.9Very low26.7Very low193 Ų193145.4 Ų145.484%0.83978%0.784SS**  trans-114.7116.9157.3-86.3-173176-179.60108T631T631-K633 PolarHBondContact O-N 2.85Å; T631-K633 VanDerWaalsContact O-N 3.08Å
634S26.5Very low27.3Very low111 Ų111143.9 Ų143.978%0.77678%0.776SS**  trans-41131.9173.548.70000113
635W21.8Very low27.8Very low248 Ų248140.2 Ų140.294%0.93976%0.763SS**PPolyproline II helixtrans-51.8127.9165.3-139.4-41.6000109.8
636P30.2Very low28.1Very low99 Ų99139.6 Ų139.664%0.64376%0.758SS**PPolyproline II helixtrans-67.4152.4175.223.7-31.7000111.8
637P30.5Very low29.1Very low118 Ų118134.7 Ų134.777%0.76674%0.737SS**PPolyproline II helixtrans-68.5137.7-177-7.623.5000110.8N639P637-N639 PolarHBondContact O-N 3.13Å
638V28.9Very low30.1Very low133 Ų133136.2 Ų136.281%0.80673%0.733SS**  trans-67.598.2177.2-179.50000108.9
639N30.4Very low31.4Very low143 Ų143134.1 Ų134.177%0.76572%0.72SS**  trans-72.9131.7165.7-95.1-5.9000109.4P637 N641P637-N639 PolarHBondContact O-N 3.13Å; N639-N641 PolarHBondContact O-N 3.37Å
640S28.7Very low33.1Very low113 Ų113132.4 Ų132.479%0.7971%0.707SS**  trans-61.794.8176.251.80000111.3
641N30.9Very low35.2Very low141 Ų141131.7 Ų131.775%0.75469%0.692SS**SBendtrans-137.6141.8155-88.1-18.7000107.1N639 N643N639-N641 PolarHBondContact O-N 3.37Å; N641-N643 PolarHBondContact O-N 2.53Å
642E28.4Very low37.4Very low203 Ų203129.4 Ų129.495%0.94968%0.675SS**  trans-55.589.8-172.1-65.9174153.900111.6
643N31.6Very low39.9Very low97 Ų97119.1 Ų119.152%0.51964%0.643SS.*  trans-84.2130-173.4-83.5-32.8000111.2N641 A645 K646N641-N643 PolarHBondContact O-N 2.53Å; N643-A645 HydrophobicContact CB-CB 4.3Å; N643-A645 PolarHBondContact O-N 2.74Å; N643-K646 PolarHBondContact O-N 3.42Å; N643-K646 VanDerWaalsContact O-N 3.1Å
644P33.8Very low42.3Very low89 Ų89114.2 Ų114.258%0.57863%0.626SS**THydrogen-bonded Turntrans-57.9-12.3172.822.1-32.1000114K646 S647 E648P644-K646 PolarHBondContact O-N 3.4Å; P644-S647 PolarHBondContact O-N 2.56Å; P644-S647 VanDerWaalsContact O-N 3.15Å; P644-S647 PolarHBondContact O-OG 2.82Å; P644-E648 PolarHBondContact O-N 3.36Å; P644-E648 VanDerWaalsContact O-N 3.14Å
645A35Very low45Very low48 Ų48109.7 Ų109.740%0.39759%0.593SS.*Hα-helixtrans-56.1-32.9170.700000113.3N643 E648 I649N643-A645 HydrophobicContact CB-CB 4.3Å; N643-A645 PolarHBondContact O-N 2.74Å; A645-E648 PolarHBondContact O-N 2.97Å; A645-I649 WeakPolarHBondContact O-CD1 3.48Å; A645-I649 VanDerWaalsContact O-CG1 3.23Å; A645-I649 WeakPolarHBondContact O-CG1 3.21Å; A645-I649 PolarHBondContact O-N 3.49Å; A645-I649 VanDerWaalsContact O-N 3.09Å
646K34.2Very low48Very low164 Ų16499.4 Ų99.471%0.71356%0.555SS**Hα-helixtrans-69-38.4176.6-81.5-173.9177.6-179.60112.3N643 P644 N650N643-K646 PolarHBondContact O-N 3.42Å; N643-K646 VanDerWaalsContact O-N 3.1Å; P644-K646 PolarHBondContact O-N 3.4Å; K646-N650 PolarHBondContact O-N 3.29Å
647S42.3Very low50.8Low58 Ų5896.3 Ų96.341%0.40653%0.532SS..Hα-helixtrans-66.5-39.4175.439.30000111.8P644 N650 Q651P644-S647 PolarHBondContact O-N 2.56Å; P644-S647 VanDerWaalsContact O-N 3.15Å; P644-S647 PolarHBondContact O-OG 2.82Å; S647-N650 PolarHBondContact O-N 3.44Å; S647-Q651 VanDerWaalsContact O-CG 3.26Å; S647-Q651 WeakPolarHBondContact O-CG 3.4Å; S647-Q651 PolarHBondContact O-N 3.34Å
648E46.3Very low53.5Low132 Ų13291.2 Ų91.262%0.61750%0.498SS*.Hα-helixtrans-66.2-41.3177.5-71.5-177.6169.500112.7P644 A645 Q651 L652P644-E648 PolarHBondContact O-N 3.36Å; P644-E648 VanDerWaalsContact O-N 3.14Å; A645-E648 PolarHBondContact O-N 2.97Å; E648-Q651 PolarHBondContact O-N 2.71Å; E648-L652 PolarHBondContact O-N 2.91Å
649I52.2Low56.4Low118 Ų11884.9 Ų84.961%0.60546%0.46SS*.Hα-helixtrans-63.4-43.2177.7-68.3165000110.9A645 L652 G653A645-I649 WeakPolarHBondContact O-CD1 3.48Å; A645-I649 VanDerWaalsContact O-CG1 3.23Å; A645-I649 WeakPolarHBondContact O-CG1 3.21Å; A645-I649 PolarHBondContact O-N 3.49Å; A645-I649 VanDerWaalsContact O-N 3.09Å; I649-L652 PolarHBondContact O-N 2.79Å; I649-G653 PolarHBondContact O-N 3.19Å
650N57.5Low59.2Low107 Ų10778 Ų7857%0.57242%0.424SS*.Hα-helixtrans-64.2-44.8177.4-71.3-8.5000111.2K646 S647 L652 G653 D654K646-N650 PolarHBondContact O-N 3.29Å; S647-N650 PolarHBondContact O-N 3.44Å; N650-L652 VanDerWaalsContact C-N 3.33Å; N650-L652 PolarHBondContact O-N 3.01Å; N650-G653 PolarHBondContact O-N 3.26Å; N650-G653 VanDerWaalsContact O-N 3.17Å; N650-D654 PolarHBondContact O-N 2.94Å
651Q68.7Low62.3Low87 Ų8772.7 Ų72.741%0.40739%0.386SS..Hα-helixtrans-60.1-40.7176.7-73.4174.91500112.4S647 E648 D654 L655S647-Q651 VanDerWaalsContact O-CG 3.26Å; S647-Q651 WeakPolarHBondContact O-CG 3.4Å; S647-Q651 PolarHBondContact O-N 3.34Å; E648-Q651 PolarHBondContact O-N 2.71Å; Q651-D654 PolarHBondContact O-N 3.32Å; Q651-L655 WeakPolarHBondContact O-CB 3.46Å; Q651-L655 WeakPolarHBondContact O-CD1 3.15Å; Q651-L655 WeakPolarHBondContact O-CG 3.38Å; Q651-L655 PolarHBondContact O-N 3.07Å
652L73.9Confident65.2Low72 Ų7266 Ų6638%0.37735%0.351SS..Hα-helixtrans-66.7-38.3177.2-176.163.6000112.2E648 I649 N650 L655 K656E648-L652 PolarHBondContact O-N 2.91Å; I649-L652 PolarHBondContact O-N 2.79Å; N650-L652 VanDerWaalsContact C-N 3.33Å; N650-L652 PolarHBondContact O-N 3.01Å; L652-L655 PolarHBondContact O-N 3.44Å; L652-K656 WeakPolarHBondContact O-CG 3.32Å; L652-K656 PolarHBondContact O-N 3.28Å
653G76.4Confident68.2Low28 Ų2856.4 Ų56.429%0.28931%0.305SS..Hα-helixtrans-58.2-49.5173.600000111.9I649 N650 L655 K656 M657I649-G653 PolarHBondContact O-N 3.19Å; N650-G653 PolarHBondContact O-N 3.26Å; N650-G653 VanDerWaalsContact O-N 3.17Å; G653-L655 PolarHBondContact O-N 3.16Å; G653-K656 PolarHBondContact O-N 3.02Å; G653-M657 WeakPolarHBondContact O-CB 3.28Å; G653-M657 PolarHBondContact O-N 3.43Å
654D81.2Confident71.2Confident90 Ų9051.8 Ų51.848%0.48128%0.281SS..Hα-helixtrans-63.3-42.1179.5-65.1-25.3000111.9N650 Q651 K656 M657 N658N650-D654 PolarHBondContact O-N 2.94Å; Q651-D654 PolarHBondContact O-N 3.32Å; D654-K656 VanDerWaalsContact C-N 3.35Å; D654-K656 PolarHBondContact O-N 3.38Å; D654-M657 PolarHBondContact O-N 3.06Å; D654-N658 WeakPolarHBondContact O-CB 3.43Å; D654-N658 PolarHBondContact O-N 2.74Å; D654-N658 PolarHBondContact O-ND2 3.39Å
655L81.9Confident74.1Confident15 Ų1547.6 Ų47.68%0.07925%0.253CS..Hα-helixtrans-59.6-43.7175.7-73.4167.4000112R586 Q587 Q651 L652 G653 S659R586-L655 VanDerWaalsContact C-CD2 3.48Å; R586-L655 WeakPolarHBondContact O-CD2 3.49Å; Q587-L655 HydrophobicContact CB-CD1 4.49Å; Q587-L655 HydrophobicContact CG-CD1 3.54Å; Q651-L655 WeakPolarHBondContact O-CB 3.46Å; Q651-L655 WeakPolarHBondContact O-CD1 3.15Å; Q651-L655 WeakPolarHBondContact O-CG 3.38Å; Q651-L655 PolarHBondContact O-N 3.07Å; L652-L655 PolarHBondContact O-N 3.44Å; G653-L655 PolarHBondContact O-N 3.16Å; L655-S659 WeakPolarHBondContact O-CB 3.23Å; L655-S659 PolarHBondContact O-N 3.24Å; L655-S659 PolarHBondContact O-OG 3.5Å
656K85.9Confident77Confident32 Ų3245.4 Ų45.414%0.13924%0.235CC..Hα-helixtrans-65.7-44.7175.9-75-178170.8-167.10111.3F455 V458 L460 L652 G653 D654 N658 S659 I660F455-K656 HydrophobicContact CB-CD 4.26Å; F455-K656 HydrophobicContact CD1-CB 4.17Å; F455-K656 WeakPolarHBondContact O-CD 3.48Å; F455-K656 PolarHBondContact O-NZ 3.2Å; V458-K656 WeakPolarHBondContact O-CE 3.31Å; V458-K656 PolarHBondContact O-NZ 2.98Å; L460-K656 HydrophobicContact CD1-CG 3.95Å; L460-K656 HydrophobicContact CD2-CG 4.27Å; L460-K656 HydrophobicContact CG-CG 4.13Å; L652-K656 WeakPolarHBondContact O-CG 3.32Å; L652-K656 PolarHBondContact O-N 3.28Å; G653-K656 PolarHBondContact O-N 3.02Å; D654-K656 VanDerWaalsContact C-N 3.35Å; D654-K656 PolarHBondContact O-N 3.38Å; K656-N658 PolarHBondContact O-N 3.33Å; K656-S659 PolarHBondContact O-N 2.79Å; K656-I660 WeakPolarHBondContact O-CD1 3.49Å; K656-I660 VanDerWaalsContact O-CG1 3.31Å; K656-I660 WeakPolarHBondContact O-CG1 3.37Å; K656-I660 PolarHBondContact O-N 2.96Å
657M87.3Confident79.8Confident34 Ų3437.6 Ų37.617%0.16720%0.201CC..Hα-helixtrans-58.1-48.1177.9-175178.567.600111.6F455 N540 G653 D654 I660 T661F455-M657 HydrophobicContact CE1-CB 3.98Å; F455-M657 HydrophobicContact CE1-CG 4.32Å; F455-M657 HydrophobicContact CZ-CB 4.11Å; F455-M657 HydrophobicContact CZ-CG 4.14Å; N540-M657 PolarHBondContact ND2-O 3.04Å; G653-M657 WeakPolarHBondContact O-CB 3.28Å; G653-M657 PolarHBondContact O-N 3.43Å; D654-M657 PolarHBondContact O-N 3.06Å; M657-I660 PolarHBondContact O-N 3.29Å; M657-T661 PolarHBondContact O-N 3.45Å; M657-T661 PolarHBondContact O-OG1 3.38Å
658N89Confident82.4Confident11 Ų1134.9 Ų34.96%0.05918%0.182CC..Hα-helixtrans-66.4-38.8179.3-68.1-19.2000112.5R539 L583 P584 T585 D654 K656 I660 T661 I662R539-N658 PolarHBondContact NH2-OD1 3.5Å; L583-N658 HydrophobicContact CB-CB 4.01Å; P584-N658 WeakPolarHBondContact O-CB 3.31Å; P584-N658 PolarHBondContact O-ND2 3.42Å; T585-N658 HydrophobicContact CG2-CB 4.24Å; D654-N658 WeakPolarHBondContact O-CB 3.43Å; D654-N658 PolarHBondContact O-N 2.74Å; D654-N658 PolarHBondContact O-ND2 3.39Å; K656-N658 PolarHBondContact O-N 3.33Å; N658-I660 VanDerWaalsContact C-N 3.35Å; N658-I660 PolarHBondContact O-N 3.22Å; N658-T661 WeakPolarHBondContact O-CB 3.46Å; N658-T661 PolarHBondContact O-N 3.12Å; N658-I662 PolarHBondContact O-N 2.9Å; N658-I662 VanDerWaalsContact O-N 3.07Å
659S88.4Confident84.7Confident0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-62.6-43.6176.3-580000111.5L655 K656 T661 I662 C663L655-S659 WeakPolarHBondContact O-CB 3.23Å; L655-S659 PolarHBondContact O-N 3.24Å; L655-S659 PolarHBondContact O-OG 3.5Å; K656-S659 PolarHBondContact O-N 2.79Å; S659-T661 VanDerWaalsContact C-N 3.34Å; S659-I662 PolarHBondContact O-N 2.81Å; S659-C663 PolarHBondContact O-N 2.88Å; S659-C663 VanDerWaalsContact O-N 3.08Å; S659-C663 PolarHBondContact O-SG 2.98Å
660I90.4Very high86.6Confident0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-64.6-40.2174.6-66.9161.6000110.7F453 F455 V458 F490 N540 K656 M657 N658 I662 C663 L664F453-I660 HydrophobicContact CD1-CD1 4.15Å; F453-I660 HydrophobicContact CD1-CG2 4.11Å; F453-I660 HydrophobicContact CE1-CG2 3.7Å; F453-I660 HydrophobicContact CE2-CG2 4.24Å; F453-I660 HydrophobicContact CZ-CG2 3.77Å; F455-I660 HydrophobicContact CD1-CD1 3.65Å; F455-I660 HydrophobicContact CE1-CD1 3.68Å; V458-I660 HydrophobicContact CG1-CD1 4.34Å; V458-I660 HydrophobicContact CG1-CG1 4.45Å; V458-I660 HydrophobicContact CG2-CD1 4.02Å; F490-I660 HydrophobicContact CE2-CG2 4.45Å; F490-I660 HydrophobicContact CZ-CG2 4.15Å; N540-I660 HydrophobicContact CB-CG2 4.24Å; N540-I660 WeakPolarHBondContact ND2-CG2 3.4Å; K656-I660 WeakPolarHBondContact O-CD1 3.49Å; K656-I660 VanDerWaalsContact O-CG1 3.31Å; K656-I660 WeakPolarHBondContact O-CG1 3.37Å; K656-I660 PolarHBondContact O-N 2.96Å; M657-I660 PolarHBondContact O-N 3.29Å; N658-I660 VanDerWaalsContact C-N 3.35Å; N658-I660 PolarHBondContact O-N 3.22Å; I660-I662 VanDerWaalsContact C-N 3.33Å; I660-I662 PolarHBondContact O-N 3.17Å; I660-C663 WeakPolarHBondContact O-CB 3.41Å; I660-C663 PolarHBondContact O-N 2.63Å; I660-L664 HydrophobicContact CG2-CD1 3.89Å; I660-L664 HydrophobicContact CG2-CG 4.15Å; I660-L664 VanDerWaalsContact O-CG 3.29Å; I660-L664 WeakPolarHBondContact O-CG 3.29Å; I660-L664 PolarHBondContact O-N 3.49Å
661T92.4Very high88.3Confident1 Ų117.9 Ų17.91%0.00610%0.097CC..Hα-helixtrans-54.2-50.6175.7-56.70000110.8R539 N540 L543 L583 M657 N658 S659 C663 L664 L665R539-T661 PolarHBondContact NE-OG1 3.07Å; R539-T661 VanDerWaalsContact NE-OG1 3.1Å; R539-T661 PolarHBondContact NH2-OG1 3.44Å; N540-T661 VanDerWaalsContact OD1-CA 3.28Å; N540-T661 WeakPolarHBondContact OD1-CA 3.3Å; N540-T661 WeakPolarHBondContact OD1-CB 3.46Å; N540-T661 PolarHBondContact OD1-N 3.36Å; N540-T661 PolarHBondContact OD1-OG1 3.36Å; L543-T661 HydrophobicContact CD1-CG2 3.84Å; L583-T661 HydrophobicContact CD1-CG2 4.23Å; M657-T661 PolarHBondContact O-N 3.45Å; M657-T661 PolarHBondContact O-OG1 3.38Å; N658-T661 WeakPolarHBondContact O-CB 3.46Å; N658-T661 PolarHBondContact O-N 3.12Å; S659-T661 VanDerWaalsContact C-N 3.34Å; T661-C663 PolarHBondContact O-N 3.06Å; T661-L664 PolarHBondContact O-N 3.1Å; T661-L664 VanDerWaalsContact O-N 3.15Å; T661-L665 WeakPolarHBondContact O-CG 3.31Å; T661-L665 PolarHBondContact O-N 2.88Å
662I92.2Very high89.4Confident1 Ų113.7 Ų13.71%0.0058%0.077CC..Hα-helixtrans-62.6-42.6178.5-69159.1000111.3T585 N658 S659 I660 L664 L665 L666 F707 I714T585-I662 HydrophobicContact CG2-CD1 3.44Å; T585-I662 VanDerWaalsContact CG2-CD1 3.44Å; N658-I662 PolarHBondContact O-N 2.9Å; N658-I662 VanDerWaalsContact O-N 3.07Å; S659-I662 PolarHBondContact O-N 2.81Å; I660-I662 VanDerWaalsContact C-N 3.33Å; I660-I662 PolarHBondContact O-N 3.17Å; I662-L664 VanDerWaalsContact C-N 3.28Å; I662-L664 PolarHBondContact O-N 3.25Å; I662-L665 PolarHBondContact O-N 3.37Å; I662-L666 HydrophobicContact CG2-CD1 4.4Å; I662-L666 WeakPolarHBondContact O-CG 3.3Å; I662-L666 PolarHBondContact O-N 2.93Å; I662-F707 HydrophobicContact CD1-CE1 4.37Å; I662-F707 HydrophobicContact CD1-CZ 4.33Å; I662-F707 HydrophobicContact CG2-CD1 4.45Å; I662-F707 HydrophobicContact CG2-CD2 4.08Å; I662-F707 HydrophobicContact CG2-CE1 4.22Å; I662-F707 HydrophobicContact CG2-CE2 3.85Å; I662-F707 HydrophobicContact CG2-CG 4.4Å; I662-F707 HydrophobicContact CG2-CZ 3.92Å; I662-I714 HydrophobicContact CD1-CD1 4.09Å; I662-I714 HydrophobicContact CG2-CG2 3.76Å
663C92.1Very high90.2Very high0 Ų010.3 Ų10.30%06%0.059CC..Hα-helixtrans-58.7-39174.9-68.80000112.6F490 S659 I660 T661 L666 E667 T717F490-C663 HydrophobicContact CD1-CB 3.72Å; F490-C663 HydrophobicContact CE1-CB 3.48Å; F490-C663 VanDerWaalsContact CE1-CB 3.48Å; F490-C663 HydrophobicContact CE2-CB 4.4Å; F490-C663 HydrophobicContact CG-CB 4.29Å; F490-C663 HydrophobicContact CZ-CB 3.86Å; S659-C663 PolarHBondContact O-N 2.88Å; S659-C663 VanDerWaalsContact O-N 3.08Å; S659-C663 PolarHBondContact O-SG 2.98Å; I660-C663 WeakPolarHBondContact O-CB 3.41Å; I660-C663 PolarHBondContact O-N 2.63Å; T661-C663 PolarHBondContact O-N 3.06Å; C663-L666 WeakPolarHBondContact O-CB 3.46Å; C663-L666 PolarHBondContact O-N 3.39Å; C663-E667 PolarHBondContact O-N 3.05Å; C663-T717 HydrophobicContact CB-CG2 3.99Å; C663-T717 PolarHBondContact SG-OG1 3.08Å
664L94.2Very high90.8Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-70.8-33.6176.5-67.3174.2000112.6F453 F490 N540 L543 L544 I660 T661 I662 L666 E667 M668F453-L664 HydrophobicContact CE2-CD1 4.18Å; F453-L664 HydrophobicContact CZ-CD1 4.06Å; F453-L664 HydrophobicContact CZ-CD2 4.39Å; F490-L664 HydrophobicContact CE1-CD2 3.91Å; F490-L664 HydrophobicContact CE1-CG 4.36Å; F490-L664 HydrophobicContact CZ-CD2 3.9Å; F490-L664 HydrophobicContact CZ-CG 4.2Å; N540-L664 HydrophobicContact CB-CD1 3.62Å; N540-L664 VanDerWaalsContact O-CD1 3.27Å; N540-L664 WeakPolarHBondContact O-CD1 3.32Å; L543-L664 HydrophobicContact CB-CB 4.28Å; L543-L664 HydrophobicContact CB-CD1 4.13Å; L543-L664 HydrophobicContact CD1-CB 4.27Å; L543-L664 HydrophobicContact CD1-CD1 4.47Å; L544-L664 HydrophobicContact CD2-CD2 3.48Å; L544-L664 VanDerWaalsContact CD2-CD2 3.48Å; L544-L664 HydrophobicContact CG-CD1 4.4Å; L544-L664 HydrophobicContact CG-CD2 3.93Å; I660-L664 HydrophobicContact CG2-CD1 3.89Å; I660-L664 HydrophobicContact CG2-CG 4.15Å; I660-L664 VanDerWaalsContact O-CG 3.29Å; I660-L664 WeakPolarHBondContact O-CG 3.29Å; I660-L664 PolarHBondContact O-N 3.49Å; T661-L664 PolarHBondContact O-N 3.1Å; T661-L664 VanDerWaalsContact O-N 3.15Å; I662-L664 VanDerWaalsContact C-N 3.28Å; I662-L664 PolarHBondContact O-N 3.25Å; L664-L666 VanDerWaalsContact C-N 3.34Å; L664-E667 WeakPolarHBondContact O-CB 3.4Å; L664-E667 PolarHBondContact O-N 3.03Å; L664-M668 PolarHBondContact O-N 2.92Å
665L95.5Very high91.1Very high1 Ų16 Ų61%0.0053%0.029CC..Hα-helixtrans-65-39.7171.6-65.2178.9000111.2L543 Y575 F576 I580 L581 T661 I662 E667 M668 F669L543-L665 HydrophobicContact CD1-CD2 4.35Å; L543-L665 HydrophobicContact CD2-CD2 4.12Å; Y575-L665 HydrophobicContact CD1-CD2 4.4Å; Y575-L665 HydrophobicContact CG-CD2 4.29Å; F576-L665 HydrophobicContact CE2-CB 4.06Å; F576-L665 WeakPolarHBondContact CE2-O 3.42Å; F576-L665 HydrophobicContact CZ-CB 4.14Å; F576-L665 WeakPolarHBondContact CZ-O 3.09Å; I580-L665 HydrophobicContact CG2-CD1 3.78Å; L581-L665 HydrophobicContact CD2-CD1 3.71Å; T661-L665 WeakPolarHBondContact O-CG 3.31Å; T661-L665 PolarHBondContact O-N 2.88Å; I662-L665 PolarHBondContact O-N 3.37Å; L665-E667 VanDerWaalsContact C-N 3.31Å; L665-E667 PolarHBondContact O-N 2.88Å; L665-M668 HydrophobicContact CD2-CE 4.26Å; L665-M668 VanDerWaalsContact O-CB 3.31Å; L665-M668 WeakPolarHBondContact O-CB 3.34Å; L665-M668 PolarHBondContact O-N 3.48Å; L665-M668 VanDerWaalsContact O-N 3.15Å; L665-F669 PolarHBondContact O-N 3.31Å
666L94.7Very high91Very high2 Ų25.9 Ų5.91%0.013%0.028CC..Hα-helixtrans-63.3-36.2172.3-65.2172.3000112.1L489 I662 C663 L664 C670 T704 T717 A718 C721L489-L666 HydrophobicContact CD1-CB 4.36Å; I662-L666 HydrophobicContact CG2-CD1 4.4Å; I662-L666 WeakPolarHBondContact O-CG 3.3Å; I662-L666 PolarHBondContact O-N 2.93Å; C663-L666 WeakPolarHBondContact O-CB 3.46Å; C663-L666 PolarHBondContact O-N 3.39Å; L664-L666 VanDerWaalsContact C-N 3.34Å; L666-C670 VanDerWaalsContact O-CB 3.25Å; L666-C670 WeakPolarHBondContact O-CB 3.44Å; L666-C670 PolarHBondContact O-N 2.7Å; L666-T704 HydrophobicContact CD2-CG2 3.92Å; L666-T704 WeakPolarHBondContact CD2-OG1 3.49Å; L666-T717 HydrophobicContact CB-CG2 4.23Å; L666-T717 HydrophobicContact CD1-CG2 4.01Å; L666-A718 HydrophobicContact CD1-CB 3.89Å; L666-C721 HydrophobicContact CB-CB 4.36Å; L666-C721 PolarHBondContact O-SG 2.8Å; L666-C721 VanDerWaalsContact O-SG 3.32Å
667E94Very high90.6Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-66.1-37.7171.3-73-173167.200112.6N488 L489 F490 K492 C663 L664 L665 C670 T671N488-E667 WeakPolarHBondContact CA-OE1 3.27Å; L489-E667 HydrophobicContact CB-CG 3.86Å; L489-E667 HydrophobicContact CD1-CB 4.44Å; L489-E667 HydrophobicContact CD1-CG 3.79Å; L489-E667 HydrophobicContact CG-CG 3.73Å; L489-E667 PolarHBondContact N-OE1 3.16Å; F490-E667 HydrophobicContact CD1-CG 4.44Å; F490-E667 WeakPolarHBondContact CD1-OE1 3.36Å; F490-E667 HydrophobicContact CE1-CG 4.37Å; F490-E667 WeakPolarHBondContact CE1-OE1 3.42Å; F490-E667 PolarHBondContact N-OE1 3.08Å; K492-E667 WeakPolarHBondContact CE-OE1 3.47Å; K492-E667 WeakPolarHBondContact CE-OE2 3.22Å; K492-E667 IonicContact NZ-OE1 3.98Å; K492-E667 PolarHBondContact NZ-OE1 2.88Å; K492-E667 IonicContact NZ-OE2 2.71Å; K492-E667 PolarHBondContact NZ-OE2 3.4Å; C663-E667 PolarHBondContact O-N 3.05Å; L664-E667 WeakPolarHBondContact O-CB 3.4Å; L664-E667 PolarHBondContact O-N 3.03Å; L665-E667 VanDerWaalsContact C-N 3.31Å; L665-E667 PolarHBondContact O-N 2.88Å; E667-C670 PolarHBondContact O-N 3.28Å; E667-T671 WeakPolarHBondContact O-CB 3.39Å; E667-T671 PolarHBondContact O-N 3.13Å; E667-T671 PolarHBondContact O-OG1 2.85Å
668M95.6Very high89.7Confident1 Ų17 Ų71%0.0054%0.038CC..Hα-helixtrans-61.4-51.6174.1-170.5-176.669.100110.9V547 I550 M572 Y575 F576 L664 L665 C670 T671 V672V547-M668 HydrophobicContact CG2-CB 3.88Å; V547-M668 HydrophobicContact CG2-CG 4.3Å; I550-M668 HydrophobicContact CD1-CG 3.49Å; I550-M668 VanDerWaalsContact CD1-CG 3.49Å; I550-M668 HydrophobicContact CD1-SD 3.91Å; M572-M668 HydrophobicContact SD-CE 3.87Å; Y575-M668 HydrophobicContact CD2-CE 4.35Å; Y575-M668 HydrophobicContact CD2-SD 4.19Å; Y575-M668 HydrophobicContact CG-CE 4.42Å; F576-M668 HydrophobicContact CD2-CE 3.73Å; F576-M668 HydrophobicContact CE2-CE 3.55Å; L664-M668 PolarHBondContact O-N 2.92Å; L665-M668 HydrophobicContact CD2-CE 4.26Å; L665-M668 VanDerWaalsContact O-CB 3.31Å; L665-M668 WeakPolarHBondContact O-CB 3.34Å; L665-M668 PolarHBondContact O-N 3.48Å; L665-M668 VanDerWaalsContact O-N 3.15Å; M668-C670 VanDerWaalsContact C-N 3.3Å; M668-C670 PolarHBondContact O-N 3.38Å; M668-T671 PolarHBondContact O-N 3.36Å; M668-T671 VanDerWaalsContact O-N 3.13Å; M668-V672 WeakPolarHBondContact O-CG2 3.36Å; M668-V672 PolarHBondContact O-N 3.16Å
669F95.2Very high88.3Confident0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-58.2-43.1175.9173.1-131.1000112.1M572 F576 L665 T671 V672 S673 L697 V725M572-F669 HydrophobicContact CE-CB 3.97Å; M572-F669 HydrophobicContact CE-CD2 3.54Å; M572-F669 HydrophobicContact CE-CE2 4.35Å; M572-F669 HydrophobicContact CE-CG 4.04Å; M572-F669 HydrophobicContact SD-CB 4.11Å; M572-F669 HydrophobicContact SD-CD2 4.18Å; F576-F669 HydrophobicContact CE1-CB 4.26Å; F576-F669 HydrophobicContact CE2-CB 4Å; F576-F669 HydrophobicContact CZ-CB 3.47Å; F576-F669 VanDerWaalsContact CZ-CB 3.47Å; F576-F669 HydrophobicContact CZ-CG 4.26Å; L665-F669 PolarHBondContact O-N 3.31Å; F669-T671 VanDerWaalsContact C-N 3.34Å; F669-T671 PolarHBondContact O-N 3.23Å; F669-V672 PolarHBondContact O-N 3.24Å; F669-S673 PolarHBondContact O-N 3.33Å; F669-L697 HydrophobicContact CZ-CD1 4.09Å; F669-V725 HydrophobicContact CD1-CG2 4.05Å; F669-V725 HydrophobicContact CE1-CG1 4.24Å; F669-V725 HydrophobicContact CE1-CG2 3.75Å; F669-V725 HydrophobicContact CZ-CG1 4.02Å; F669-V725 HydrophobicContact CZ-CG2 4.19Å
670C92.7Very high86.5Confident0 Ų012.5 Ų12.50%07%0.072CC..Hα-helixtrans-63.4-40.1176.7-167.50000112C487 L489 L666 E667 M668 S673 Q724 N728C487-C670 HydrophobicContact CB-CB 3.96Å; C487-C670 PolarHBondContact SG-SG 3.5Å; L489-C670 HydrophobicContact CD1-CB 3.88Å; L489-C670 HydrophobicContact CD2-CB 4.45Å; L666-C670 VanDerWaalsContact O-CB 3.25Å; L666-C670 WeakPolarHBondContact O-CB 3.44Å; L666-C670 PolarHBondContact O-N 2.7Å; E667-C670 PolarHBondContact O-N 3.28Å; M668-C670 VanDerWaalsContact C-N 3.3Å; M668-C670 PolarHBondContact O-N 3.38Å; C670-S673 PolarHBondContact O-N 2.94Å; C670-S673 PolarHBondContact O-OG 2.91Å; C670-Q724 VanDerWaalsContact SG-CB 3.55Å; C670-Q724 WeakPolarHBondContact SG-CG 3.23Å; C670-N728 PolarHBondContact O-ND2 2.62Å
671T92Very high84.5Confident0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-67.2-41.5176.2-55.30000111.4C487 V547 I550 A551 E667 M668 F669 S673 Q674C487-T671 PolarHBondContact N-OG1 3.17Å; C487-T671 VanDerWaalsContact N-OG1 3.1Å; V547-T671 HydrophobicContact CG1-CG2 4.26Å; V547-T671 WeakPolarHBondContact CG1-OG1 3.23Å; I550-T671 HydrophobicContact CG2-CG2 4.24Å; A551-T671 HydrophobicContact CB-CG2 3.9Å; E667-T671 WeakPolarHBondContact O-CB 3.39Å; E667-T671 PolarHBondContact O-N 3.13Å; E667-T671 PolarHBondContact O-OG1 2.85Å; M668-T671 PolarHBondContact O-N 3.36Å; M668-T671 VanDerWaalsContact O-N 3.13Å; F669-T671 VanDerWaalsContact C-N 3.34Å; F669-T671 PolarHBondContact O-N 3.23Å; T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 3.41Å; T671-Q674 WeakPolarHBondContact O-CB 3.35Å; T671-Q674 PolarHBondContact O-N 3.09Å; T671-Q674 VanDerWaalsContact O-N 3.16Å
672V92.9Very high82.4Confident0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-59.5-39.6174166.40000111.3I550 C568 M572 M668 F669 Q674 L675 F693 C696I550-V672 HydrophobicContact CG2-CG2 4Å; C568-V672 HydrophobicContact CB-CG1 3.73Å; C568-V672 HydrophobicContact CB-CG2 4.15Å; M572-V672 HydrophobicContact CG-CG1 4.33Å; M572-V672 HydrophobicContact CG-CG2 4.38Å; M572-V672 HydrophobicContact SD-CG2 4.37Å; M668-V672 WeakPolarHBondContact O-CG2 3.36Å; M668-V672 PolarHBondContact O-N 3.16Å; F669-V672 PolarHBondContact O-N 3.24Å; V672-Q674 PolarHBondContact O-N 3.13Å; V672-Q674 VanDerWaalsContact O-N 3.16Å; V672-L675 VanDerWaalsContact O-CB 3.23Å; V672-L675 WeakPolarHBondContact O-CB 2.93Å; V672-L675 PolarHBondContact O-N 3.36Å; V672-F693 HydrophobicContact CG1-CE2 4.12Å; V672-C696 HydrophobicContact CG1-CB 4.33Å
673S91.1Very high79.9Confident0 Ų030.6 Ų30.60%017%0.173CC..Hα-helixtrans-63.1-21.1178.469.80000114.6F669 C670 T671 L675 N676 N728F669-S673 PolarHBondContact O-N 3.33Å; C670-S673 PolarHBondContact O-N 2.94Å; C670-S673 PolarHBondContact O-OG 2.91Å; T671-S673 VanDerWaalsContact C-N 3.29Å; T671-S673 PolarHBondContact O-N 3.41Å; S673-L675 PolarHBondContact O-N 3.38Å; S673-N676 PolarHBondContact O-N 3.25Å; S673-N728 PolarHBondContact OG-ND2 3.49Å
674Q88.9Confident77.7Confident28 Ų2837.1 Ų37.113%0.13121%0.213CC..G310 helixtrans-65.8-16.5172.1-62.4-174.432.700113I484 L485 C487 T671 V672 N676 T677 N728I484-Q674 HydrophobicContact CD1-CB 4.19Å; I484-Q674 HydrophobicContact CG1-CB 4.25Å; I484-Q674 HydrophobicContact CG2-CB 4.14Å; I484-Q674 VanDerWaalsContact CG2-OE1 3.3Å; L485-Q674 PolarHBondContact O-NE2 2.97Å; C487-Q674 PolarHBondContact SG-NE2 3.1Å; T671-Q674 WeakPolarHBondContact O-CB 3.35Å; T671-Q674 PolarHBondContact O-N 3.09Å; T671-Q674 VanDerWaalsContact O-N 3.16Å; V672-Q674 PolarHBondContact O-N 3.13Å; V672-Q674 VanDerWaalsContact O-N 3.16Å; Q674-N676 PolarHBondContact O-N 3.47Å; Q674-N676 VanDerWaalsContact O-N 3.13Å; Q674-T677 PolarHBondContact O-N 3.13Å; Q674-T677 PolarHBondContact O-OG1 3.17Å; Q674-N728 WeakPolarHBondContact CG-ND2 3.29Å
675L86.4Confident75.1Confident0 Ų039.6 Ų39.60%024%0.238CC..G310 helixtrans-54.6-32.9172.2176.163.8000111.6I554 W561 R564 E565 V672 S673 T677I554-L675 HydrophobicContact CD1-CB 4.38Å; I554-L675 HydrophobicContact CG2-CB 3.85Å; I554-L675 HydrophobicContact CG2-CD1 3.56Å; I554-L675 HydrophobicContact CG2-CG 4.28Å; W561-L675 HydrophobicContact CZ2-CD2 4.4Å; R564-L675 HydrophobicContact CB-CD1 4.03Å; E565-L675 HydrophobicContact CB-CD2 4.15Å; V672-L675 VanDerWaalsContact O-CB 3.23Å; V672-L675 WeakPolarHBondContact O-CB 2.93Å; V672-L675 PolarHBondContact O-N 3.36Å; S673-L675 PolarHBondContact O-N 3.38Å; L675-T677 VanDerWaalsContact C-N 3.32Å; L675-T677 PolarHBondContact O-N 2.97Å
676N80.7Confident72.4Confident12 Ų1249 Ų496%0.06428%0.279CS..G310 helixtrans-73.4-21.4-179.6-161.532.9000113.5S673 Q674 L678 T679S673-N676 PolarHBondContact O-N 3.25Å; Q674-N676 PolarHBondContact O-N 3.47Å; Q674-N676 VanDerWaalsContact O-N 3.13Å; N676-L678 VanDerWaalsContact C-N 3.31Å; N676-L678 PolarHBondContact O-N 3.05Å; N676-T679 PolarHBondContact O-N 3.46Å; N676-T679 PolarHBondContact O-OG1 2.94Å
677T76.2Confident69.9Low57 Ų5755.7 Ų55.735%0.3532%0.315SS..G310 helixtrans-72.2-27.6179.667.20000112.1Q674 L675 T679 N728Q674-T677 PolarHBondContact O-N 3.13Å; Q674-T677 PolarHBondContact O-OG1 3.17Å; L675-T677 VanDerWaalsContact C-N 3.32Å; L675-T677 PolarHBondContact O-N 2.97Å; T677-T679 VanDerWaalsContact C-N 3.26Å; T677-T679 PolarHBondContact O-N 3.38Å; T677-N728 HydrophobicContact CG2-CB 4.21Å
678L68.4Low67.3Low32 Ų3263 Ų6317%0.16835%0.349CS..G310 helixtrans-71.7-16.2179.8-62.7-179.1000113.9I484 I554 N676 V680 T681I484-L678 HydrophobicContact CD1-CD1 3.51Å; I484-L678 HydrophobicContact CD1-CD2 4.14Å; I484-L678 HydrophobicContact CD1-CG 3.79Å; I484-L678 HydrophobicContact CG1-CD1 4.49Å; I484-L678 HydrophobicContact CG1-CD2 4.34Å; I484-L678 HydrophobicContact CG1-CG 4.49Å; I554-L678 HydrophobicContact CG2-CD1 3.96Å; I554-L678 VanDerWaalsContact O-CD1 3.29Å; I554-L678 WeakPolarHBondContact O-CD1 2.98Å; N676-L678 VanDerWaalsContact C-N 3.31Å; N676-L678 PolarHBondContact O-N 3.05Å; L678-V680 PolarHBondContact O-N 3.14Å; L678-T681 PolarHBondContact O-OG1 2.74Å
679T59.7Low64.9Low33 Ų3365.4 Ų65.420%0.20236%0.364CS..G310 helixtrans-69.3-16-177.160.30000113.6N676 T677 T681 K730N676-T679 PolarHBondContact O-N 3.46Å; N676-T679 PolarHBondContact O-OG1 2.94Å; T677-T679 VanDerWaalsContact C-N 3.26Å; T677-T679 PolarHBondContact O-N 3.38Å; T679-T681 PolarHBondContact O-N 3.19Å; T679-K730 PolarHBondContact OG1-NZ 3.35Å
680V50.9Low62.8Low94 Ų9471.5 Ų71.557%0.5740%0.397SS*.G310 helixtrans-73.2-23.9-176179.20000113L678 N682L678-V680 PolarHBondContact O-N 3.14Å; V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 2.91Å
681T49.2Very low60.9Low107 Ų10778.8 Ų78.866%0.65643%0.431SS*.G310 helixtrans-82.1-12.4-175.157.50000114L678 T679L678-T681 PolarHBondContact O-OG1 2.74Å; T679-T681 PolarHBondContact O-N 3.19Å
682N47.4Very low59.2Low118 Ų11883.3 Ų83.363%0.63145%0.451SS*.  trans-107.790.9-178.9-65.1-10.2000109.5V680 T684V680-N682 VanDerWaalsContact C-N 3.34Å; V680-N682 PolarHBondContact O-N 2.91Å; N682-T684 PolarHBondContact O-N 2.97Å
683D41.1Very low58.3Low157 Ų15783.7 Ų83.784%0.8445%0.453SS*.THydrogen-bonded Turntrans-62.819-175.9-102.9-27.8000116.1
684T44.2Very low57.8Low138 Ų13885.3 Ų85.385%0.84746%0.463SS*.THydrogen-bonded Turntrans-113.98.7-165.254.30000117.7N682N682-T684 PolarHBondContact O-N 2.97Å
685G40.8Very low57.6Low51 Ų5187.9 Ų87.953%0.52648%0.475SS..  trans-168.291175.800000115.6N687G685-N687 PolarHBondContact O-N 3.44Å
686K39.3Very low57.6Low199 Ų19987.9 Ų87.987%0.86548%0.475SS*.SBendtrans-77.2-3.5-175.1-91-177.51761760117.3
687N42.3Very low58.1Low143 Ų14387.6 Ų87.677%0.76547%0.473SS*.SBendtrans-128.2-15-167.5-69.2-1.3000117.4G685G685-N687 PolarHBondContact O-N 3.44Å
688H38.7Very low58.7Low152 Ų15289.1 Ų89.170%0.70447%0.473SS*.SBendtrans-95.1-16.8-175-78.1-59.1000114.7H692H688-H692 PolarHBondContact O-CD2 3.04Å
689T44.7Very low59.7Low53 Ų5389.3 Ų89.333%0.32547%0.473SS..SBendtrans-96.1-17.5-16536.80000116.1Q691 H692T689-Q691 VanDerWaalsContact C-N 3.26Å; T689-Q691 PolarHBondContact O-N 3.06Å; T689-H692 PolarHBondContact O-N 3.28Å
690D51.1Low61.2Low128 Ų12887.7 Ų87.768%0.68446%0.464SS*.Hα-helixtrans-63.9-34.6175.1-102.5-8.8000111.5H692 T694D690-H692 VanDerWaalsContact C-N 3.26Å; D690-H692 PolarHBondContact O-N 3.26Å; D690-T694 PolarHBondContact O-OG1 3.24Å
691Q52.3Low63.3Low153 Ų15383.2 Ų83.272%0.71544%0.437SS*.Hα-helixtrans-66.8-24.8-179.5-73.1-171.9-16.600113.9T689 T694T689-Q691 VanDerWaalsContact C-N 3.26Å; T689-Q691 PolarHBondContact O-N 3.06Å; Q691-T694 VanDerWaalsContact O-CB 3.28Å; Q691-T694 WeakPolarHBondContact O-CB 3.38Å; Q691-T694 PolarHBondContact O-OG1 2.75Å
692H56Low65.4Low94 Ų9479.4 Ų79.444%0.43541%0.412SS..Hα-helixtrans-84-54.9-169-74.9-65.4000111.5W561 E565 H688 T689 D690 T694 E695W561-H692 HydrophobicContact CH2-CB 3.38Å; W561-H692 HydrophobicContact CZ3-CB 3.55Å; E565-H692 WeakPolarHBondContact OE1-CA 3.36Å; E565-H692 VanDerWaalsContact OE1-CB 3.23Å; E565-H692 WeakPolarHBondContact OE1-CB 3.17Å; H688-H692 PolarHBondContact O-CD2 3.04Å; T689-H692 PolarHBondContact O-N 3.28Å; D690-H692 VanDerWaalsContact C-N 3.26Å; D690-H692 PolarHBondContact O-N 3.26Å; H692-T694 PolarHBondContact O-N 3.35Å; H692-E695 PolarHBondContact O-N 2.99Å
693F74.8Confident67.6Low9 Ų975 Ų754%0.03939%0.39CS..Hα-helixtrans-61-16.4175.9-174.9-95.6000113.3E565 V672 E695 C696 L697 C729E565-F693 PolarHBondContact OE1-N 2.99Å; V672-F693 HydrophobicContact CG1-CE2 4.12Å; F693-E695 PolarHBondContact O-N 3.25Å; F693-E695 VanDerWaalsContact O-N 3.16Å; F693-C696 HydrophobicContact CD2-CB 4.34Å; F693-C696 HydrophobicContact CE2-CB 4.08Å; F693-C696 HydrophobicContact CZ-CB 4.41Å; F693-C696 PolarHBondContact O-N 3.17Å; F693-L697 HydrophobicContact CD1-CB 4.28Å; F693-L697 HydrophobicContact CE1-CB 3.99Å; F693-L697 HydrophobicContact CE1-CD1 4.43Å; F693-L697 PolarHBondContact O-N 3.2Å; F693-C729 WeakPolarHBondContact CE1-SG 3.29Å
694T80.2Confident70.1Confident34 Ų3467.5 Ų67.521%0.20935%0.35CS..Hα-helixtrans-51.1-36.4175.6-63.30000112.5D690 Q691 H692 L697 R698D690-T694 PolarHBondContact O-OG1 3.24Å; Q691-T694 VanDerWaalsContact O-CB 3.28Å; Q691-T694 WeakPolarHBondContact O-CB 3.38Å; Q691-T694 PolarHBondContact O-OG1 2.75Å; H692-T694 PolarHBondContact O-N 3.35Å; T694-L697 WeakPolarHBondContact O-CB 3.4Å; T694-L697 PolarHBondContact O-N 3.21Å; T694-R698 HydrophobicContact CG2-CG 4.38Å; T694-R698 VanDerWaalsContact CG2-CZ 3.43Å; T694-R698 VanDerWaalsContact O-CG 3.28Å; T694-R698 WeakPolarHBondContact O-CG 3.06Å; T694-R698 PolarHBondContact O-N 3.36Å
695E85.1Confident72.5Confident82 Ų8261 Ų6138%0.38331%0.31SS..Hα-helixtrans-74.2-42.4-176.3-162.560.2-159.800112.8L569 H692 F693 L697 R698 I699L569-E695 HydrophobicContact CD1-CB 4.13Å; L569-E695 HydrophobicContact CD1-CG 3.81Å; H692-E695 PolarHBondContact O-N 2.99Å; F693-E695 PolarHBondContact O-N 3.25Å; F693-E695 VanDerWaalsContact O-N 3.16Å; E695-L697 VanDerWaalsContact C-N 3.26Å; E695-L697 PolarHBondContact O-N 2.86Å; E695-R698 PolarHBondContact O-N 3.46Å; E695-R698 IonicContact OE2-NH1 2.57Å; E695-R698 PolarHBondContact OE2-NH1 3.1Å; E695-R698 VanDerWaalsContact OE2-NH1 3.11Å; E695-I699 WeakPolarHBondContact O-CG1 3.34Å; E695-I699 PolarHBondContact O-N 3.32Å; E695-I699 VanDerWaalsContact O-N 3.08Å
696C87.2Confident75.1Confident0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-60.2-40.2171.8-72.70000111.3V672 F693 G700V672-C696 HydrophobicContact CG1-CB 4.33Å; F693-C696 HydrophobicContact CD2-CB 4.34Å; F693-C696 HydrophobicContact CE2-CB 4.08Å; F693-C696 HydrophobicContact CZ-CB 4.41Å; F693-C696 PolarHBondContact O-N 3.17Å; C696-G700 PolarHBondContact O-N 3.48Å; C696-G700 VanDerWaalsContact O-N 3.16Å
697L89.5Confident77.6Confident5 Ų550.7 Ų50.73%0.02625%0.252CS..Hα-helixtrans-61.2-47.9176-175.564000110.9F669 F693 T694 E695 I699 G700 L701 V725 L737F669-L697 HydrophobicContact CZ-CD1 4.09Å; F693-L697 HydrophobicContact CD1-CB 4.28Å; F693-L697 HydrophobicContact CE1-CB 3.99Å; F693-L697 HydrophobicContact CE1-CD1 4.43Å; F693-L697 PolarHBondContact O-N 3.2Å; T694-L697 WeakPolarHBondContact O-CB 3.4Å; T694-L697 PolarHBondContact O-N 3.21Å; E695-L697 VanDerWaalsContact C-N 3.26Å; E695-L697 PolarHBondContact O-N 2.86Å; L697-I699 PolarHBondContact O-N 3.07Å; L697-G700 PolarHBondContact O-N 3.21Å; L697-L701 HydrophobicContact CD1-CB 4.48Å; L697-L701 WeakPolarHBondContact O-CB 3.34Å; L697-L701 PolarHBondContact O-N 3.11Å; L697-V725 HydrophobicContact CD1-CG1 3.98Å; L697-L737 HydrophobicContact CD1-CD1 4.22Å; L697-L737 HydrophobicContact CD2-CD1 4.33Å
698R88.8Confident80Confident90 Ų9043.9 Ų43.934%0.3422%0.216SC..Hα-helixtrans-57.1-49.8178.3-75.7173.3-177.3157.10.6111.9T694 E695 G700 Y744T694-R698 HydrophobicContact CG2-CG 4.38Å; T694-R698 VanDerWaalsContact CG2-CZ 3.43Å; T694-R698 VanDerWaalsContact O-CG 3.28Å; T694-R698 WeakPolarHBondContact O-CG 3.06Å; T694-R698 PolarHBondContact O-N 3.36Å; E695-R698 PolarHBondContact O-N 3.46Å; E695-R698 IonicContact OE2-NH1 2.57Å; E695-R698 PolarHBondContact OE2-NH1 3.1Å; E695-R698 VanDerWaalsContact OE2-NH1 3.11Å; R698-G700 PolarHBondContact O-N 2.89Å; R698-Y744 HydrophobicContact CB-CD1 4.35Å; R698-Y744 HydrophobicContact CB-CD2 4.28Å; R698-Y744 HydrophobicContact CB-CE1 3.93Å; R698-Y744 HydrophobicContact CB-CE2 3.85Å; R698-Y744 HydrophobicContact CG-CD1 3.95Å; R698-Y744 HydrophobicContact CG-CD2 3.79Å; R698-Y744 HydrophobicContact CG-CE1 4.06Å; R698-Y744 HydrophobicContact CG-CE2 3.9Å; R698-Y744 HydrophobicContact CG-CG 3.83Å; R698-Y744 WeakPolarHBondContact O-CE1 3.4Å; R698-Y744 PolarHBondContact O-OH 2.84Å
699I90.6Very high82.4Confident35 Ų3537.7 Ų37.718%0.17919%0.19CC..Hα-helixtrans-58-46.7-179.4-65.1166.3000111.4L569 M572 F576 E695 L697 P703L569-I699 HydrophobicContact CD1-CD1 3.55Å; M572-I699 HydrophobicContact CB-CG2 4.17Å; M572-I699 HydrophobicContact CE-CG2 4.16Å; F576-I699 HydrophobicContact CB-CG2 3.69Å; F576-I699 HydrophobicContact CG-CG2 4.34Å; E695-I699 WeakPolarHBondContact O-CG1 3.34Å; E695-I699 PolarHBondContact O-N 3.32Å; E695-I699 VanDerWaalsContact O-N 3.08Å; L697-I699 PolarHBondContact O-N 3.07Å; I699-P703 VanDerWaalsContact O-CD 3.25Å; I699-P703 WeakPolarHBondContact O-CD 3.16Å
700G91.7Very high84.5Confident0 Ų036.4 Ų36.40%018%0.179CC..Hα-helixtrans-82.1-29.3-175.800000115C696 L697 R698 T704C696-G700 PolarHBondContact O-N 3.48Å; C696-G700 VanDerWaalsContact O-N 3.16Å; L697-G700 PolarHBondContact O-N 3.21Å; R698-G700 PolarHBondContact O-N 2.89Å; G700-T704 WeakPolarHBondContact O-CB 3.37Å; G700-T704 PolarHBondContact O-N 3.48Å; G700-T704 PolarHBondContact O-OG1 2.9Å
701L94.1Very high86Confident0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-71.1-48.8-169.2-175.164.9000112.5L697 T704 V705 L722 L737 I738 N741 L745L697-L701 HydrophobicContact CD1-CB 4.48Å; L697-L701 WeakPolarHBondContact O-CB 3.34Å; L697-L701 PolarHBondContact O-N 3.11Å; L701-T704 PolarHBondContact O-N 2.79Å; L701-V705 HydrophobicContact CD1-CG2 4.03Å; L701-V705 HydrophobicContact CG-CG2 4.18Å; L701-V705 WeakPolarHBondContact O-CB 3.34Å; L701-V705 VanDerWaalsContact O-CG2 3.29Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.19Å; L701-L722 HydrophobicContact CD1-CD2 3.84Å; L701-L737 HydrophobicContact CD1-CD2 4.05Å; L701-L737 HydrophobicContact CD1-CG 4.34Å; L701-I738 HydrophobicContact CD1-CD1 4.41Å; L701-N741 HydrophobicContact CD2-CB 3.72Å; L701-L745 HydrophobicContact CD2-CD1 4.11Å; L701-L745 HydrophobicContact CD2-CD2 4.24Å; L701-L745 HydrophobicContact CD2-CG 4.3Å; L701-L745 HydrophobicContact CG-CD2 4.18Å
702L93.2Very high87.5Confident27 Ų2728.6 Ų28.614%0.14115%0.15CC..Hα-helixtrans-59.6-48.6-176.517469.8000112.5T704 V705 S706 Y744 L745 I749 A787L702-T704 VanDerWaalsContact C-N 3.35Å; L702-T704 PolarHBondContact O-N 3.4Å; L702-V705 PolarHBondContact O-N 3.38Å; L702-S706 PolarHBondContact O-N 2.98Å; L702-Y744 HydrophobicContact CB-CE1 4.18Å; L702-L745 HydrophobicContact CB-CD2 4.05Å; L702-L745 HydrophobicContact CD1-CD2 4.03Å; L702-I749 HydrophobicContact CD1-CG1 4.07Å; L702-A787 HydrophobicContact CD1-CB 4.14Å
703P93.1Very high88.9Confident25 Ų2525.2 Ų25.216%0.16214%0.135CC..Hα-helixtrans-60.5-42.6173.8-26.236.8000112.9F576 L581 I699 V705 S706 F707F576-P703 HydrophobicContact CD1-CB 4.42Å; F576-P703 HydrophobicContact CD1-CG 4.24Å; L581-P703 HydrophobicContact CD1-CB 3.8Å; L581-P703 HydrophobicContact CD1-CG 3.77Å; I699-P703 VanDerWaalsContact O-CD 3.25Å; I699-P703 WeakPolarHBondContact O-CD 3.16Å; P703-V705 VanDerWaalsContact C-N 3.34Å; P703-V705 PolarHBondContact O-N 2.86Å; P703-S706 WeakPolarHBondContact O-CB 3.32Å; P703-S706 PolarHBondContact O-N 3.14Å; P703-F707 HydrophobicContact CB-CD2 4.34Å; P703-F707 HydrophobicContact CB-CE2 4.03Å; P703-F707 WeakPolarHBondContact O-CD2 3.33Å; P703-F707 WeakPolarHBondContact O-CG 3.48Å; P703-F707 PolarHBondContact O-N 3.39Å
704T94.6Very high89.6Confident0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-61.6-42.7179.9-55.80000111.5L666 G700 L701 L702 F707 A708 A718 C721 L722L666-T704 HydrophobicContact CD2-CG2 3.92Å; L666-T704 WeakPolarHBondContact CD2-OG1 3.49Å; G700-T704 WeakPolarHBondContact O-CB 3.37Å; G700-T704 PolarHBondContact O-N 3.48Å; G700-T704 PolarHBondContact O-OG1 2.9Å; L701-T704 PolarHBondContact O-N 2.79Å; L702-T704 VanDerWaalsContact C-N 3.35Å; L702-T704 PolarHBondContact O-N 3.4Å; T704-F707 PolarHBondContact O-N 3.48Å; T704-A708 WeakPolarHBondContact O-CB 3.49Å; T704-A708 PolarHBondContact O-N 3.48Å; T704-A718 HydrophobicContact CG2-CB 4.21Å; T704-C721 HydrophobicContact CG2-CB 4.07Å; T704-L722 HydrophobicContact CG2-CD2 3.66Å; T704-L722 HydrophobicContact CG2-CG 3.74Å
705V95.3Very high90Very high1 Ų123.2 Ų23.21%0.00612%0.123CC..Hα-helixtrans-62.7-42.7174.9171.60000111.1L701 L702 P703 A708 L722 I738 L745 A787 T790L701-V705 HydrophobicContact CD1-CG2 4.03Å; L701-V705 HydrophobicContact CG-CG2 4.18Å; L701-V705 WeakPolarHBondContact O-CB 3.34Å; L701-V705 VanDerWaalsContact O-CG2 3.29Å; L701-V705 WeakPolarHBondContact O-CG2 3.48Å; L701-V705 PolarHBondContact O-N 3.19Å; L702-V705 PolarHBondContact O-N 3.38Å; P703-V705 VanDerWaalsContact C-N 3.34Å; P703-V705 PolarHBondContact O-N 2.86Å; V705-A708 PolarHBondContact O-N 3.36Å; V705-L722 HydrophobicContact CG2-CD2 4.14Å; V705-I738 HydrophobicContact CG2-CD1 3.5Å; V705-I738 VanDerWaalsContact CG2-CD1 3.5Å; V705-L745 HydrophobicContact CG2-CD1 4.47Å; V705-A787 HydrophobicContact CG1-CB 4.28Å; V705-A787 WeakPolarHBondContact CG1-O 2.93Å; V705-T790 HydrophobicContact CG1-CG2 3.83Å; V705-T790 VanDerWaalsContact O-CB 3.3Å; V705-T790 WeakPolarHBondContact O-CB 3.38Å; V705-T790 PolarHBondContact O-OG1 3.07Å
706S93.6Very high90.1Very high13 Ų1320.8 Ų20.89%0.09111%0.112CC..Hα-helixtrans-60.5-46.3174178.40000112.4L702 P703 A708 S709 S783 N786L702-S706 PolarHBondContact O-N 2.98Å; P703-S706 WeakPolarHBondContact O-CB 3.32Å; P703-S706 PolarHBondContact O-N 3.14Å; S706-A708 PolarHBondContact O-N 2.95Å; S706-S709 PolarHBondContact O-N 3.41Å; S706-S783 WeakPolarHBondContact OG-CA 3.37Å; S706-S783 PolarHBondContact OG-O 2.81Å; S706-N786 WeakPolarHBondContact O-CB 3.29Å
707F93.1Very high90.3Very high20 Ų2020.9 Ų20.99%0.08811%0.112CC..Hα-helixtrans-67.5-34.9-179.5-71.7-51.2000112.8L581 I662 P703 T704 S709 R710 I714 G715 A718L581-F707 HydrophobicContact CB-CZ 4.26Å; L581-F707 HydrophobicContact CD2-CE2 4.1Å; L581-F707 HydrophobicContact CD2-CZ 4.39Å; I662-F707 HydrophobicContact CD1-CE1 4.37Å; I662-F707 HydrophobicContact CD1-CZ 4.33Å; I662-F707 HydrophobicContact CG2-CD1 4.45Å; I662-F707 HydrophobicContact CG2-CD2 4.08Å; I662-F707 HydrophobicContact CG2-CE1 4.22Å; I662-F707 HydrophobicContact CG2-CE2 3.85Å; I662-F707 HydrophobicContact CG2-CG 4.4Å; I662-F707 HydrophobicContact CG2-CZ 3.92Å; P703-F707 HydrophobicContact CB-CD2 4.34Å; P703-F707 HydrophobicContact CB-CE2 4.03Å; P703-F707 WeakPolarHBondContact O-CD2 3.33Å; P703-F707 WeakPolarHBondContact O-CG 3.48Å; P703-F707 PolarHBondContact O-N 3.39Å; T704-F707 PolarHBondContact O-N 3.48Å; F707-S709 PolarHBondContact O-N 2.96Å; F707-S709 VanDerWaalsContact O-N 3.15Å; F707-R710 VanDerWaalsContact O-CB 3.3Å; F707-R710 WeakPolarHBondContact O-CB 3.42Å; F707-R710 VanDerWaalsContact O-CG 3.29Å; F707-R710 WeakPolarHBondContact O-CG 3.39Å; F707-R710 PolarHBondContact O-N 3.08Å; F707-I714 HydrophobicContact CB-CG2 3.86Å; F707-I714 HydrophobicContact CD1-CG2 3.63Å; F707-I714 HydrophobicContact CE1-CG2 4.38Å; F707-I714 HydrophobicContact CG-CG2 3.81Å; F707-G715 WeakPolarHBondContact O-CA 3.11Å; F707-A718 HydrophobicContact CB-CB 3.73Å
708A91.9Very high90.4Very high0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-59-26.4-18000000113.3T704 V705 S706 R710 A718 R719 L722 T790T704-A708 WeakPolarHBondContact O-CB 3.49Å; T704-A708 PolarHBondContact O-N 3.48Å; V705-A708 PolarHBondContact O-N 3.36Å; S706-A708 PolarHBondContact O-N 2.95Å; A708-R710 PolarHBondContact O-N 2.87Å; A708-A718 HydrophobicContact CB-CB 4.07Å; A708-R719 HydrophobicContact CB-CG 4.06Å; A708-R719 PolarHBondContact O-NH1 3.21Å; A708-R719 PolarHBondContact O-NH2 3.04Å; A708-L722 HydrophobicContact CB-CD1 3.84Å; A708-T790 HydrophobicContact CB-CG2 3.92Å
709S90.3Very high90.6Very high23 Ų2319.7 Ų19.716%0.16111%0.107CC..THydrogen-bonded Turntrans-64.2-20.1174.7-172.60000113.5S706 F707 N786 N789 T790S706-S709 PolarHBondContact O-N 3.41Å; F707-S709 PolarHBondContact O-N 2.96Å; F707-S709 VanDerWaalsContact O-N 3.15Å; S709-N786 WeakPolarHBondContact CB-O 3.23Å; S709-N789 PolarHBondContact OG-ND2 3.42Å; S709-T790 WeakPolarHBondContact CA-OG1 3.48Å; S709-T790 WeakPolarHBondContact CB-OG1 3.45Å; S709-T790 PolarHBondContact N-OG1 3.31Å; S709-T790 VanDerWaalsContact N-OG1 3.16Å
710R87.9Confident90.6Very high25 Ų2520.2 Ų20.29%0.09411%0.112CC..  trans-73.9158.9-178-54.2171.162.1108.3-7.6112.3F707 A708 D712 R719F707-R710 VanDerWaalsContact O-CB 3.3Å; F707-R710 WeakPolarHBondContact O-CB 3.42Å; F707-R710 VanDerWaalsContact O-CG 3.29Å; F707-R710 WeakPolarHBondContact O-CG 3.39Å; F707-R710 PolarHBondContact O-N 3.08Å; A708-R710 PolarHBondContact O-N 2.87Å; R710-D712 WeakPolarHBondContact CB-OD1 3.49Å; R710-D712 IonicContact CZ-OD1 2.74Å; R710-D712 IonicContact CZ-OD2 3.21Å; R710-D712 IonicContact NE-OD1 3.11Å; R710-D712 PolarHBondContact NE-OD1 3.11Å; R710-D712 IonicContact NE-OD2 3.61Å; R710-D712 PolarHBondContact NE-OD2 3.4Å; R710-D712 IonicContact NH2-OD1 3.68Å; R710-D712 IonicContact NH2-OD2 3.39Å; R710-D712 PolarHBondContact NH2-OD2 3.47Å; R710-R719 PolarHBondContact O-NH1 3.04Å
711S81.7Confident90.7Very high97 Ų9720.2 Ų20.268%0.67811%0.112SC*.SBendtrans-101.3-8.6179.554.20000114.5Q716S711-Q716 PolarHBondContact O-NE2 3.24Å
712D84.3Confident90.7Very high21 Ų2120.2 Ų20.211%0.11211%0.112CC..SBendtrans-87.3-176.6-178.565.9-23.5000112.3L460 R710 I714 G715 Q716L460-D712 WeakPolarHBondContact O-CA 3.31Å; L460-D712 VanDerWaalsContact O-CB 3.31Å; L460-D712 WeakPolarHBondContact O-CB 3.49Å; R710-D712 WeakPolarHBondContact CB-OD1 3.49Å; R710-D712 IonicContact CZ-OD1 2.74Å; R710-D712 IonicContact CZ-OD2 3.21Å; R710-D712 IonicContact NE-OD1 3.11Å; R710-D712 PolarHBondContact NE-OD1 3.11Å; R710-D712 IonicContact NE-OD2 3.61Å; R710-D712 PolarHBondContact NE-OD2 3.4Å; R710-D712 IonicContact NH2-OD1 3.68Å; R710-D712 IonicContact NH2-OD2 3.39Å; R710-D712 PolarHBondContact NH2-OD2 3.47Å; D712-I714 PolarHBondContact O-N 3.05Å; D712-I714 VanDerWaalsContact O-N 3.14Å; D712-G715 PolarHBondContact O-N 2.67Å; D712-G715 PolarHBondContact OD1-N 2.88Å; D712-Q716 PolarHBondContact O-N 2.91Å
713L85.7Confident90.6Very high23 Ų2321.8 Ų21.812%0.1212%0.121CC..Hα-helixtrans-49.8-39.4177.9179.764000112.8V458 L460 F490 Q716 T717V458-L713 HydrophobicContact CG1-CD2 4Å; L460-L713 PolarHBondContact O-N 3.26Å; F490-L713 HydrophobicContact CB-CD1 4.28Å; L713-Q716 PolarHBondContact O-N 3.23Å; L713-T717 WeakPolarHBondContact O-CB 3.34Å; L713-T717 PolarHBondContact O-N 3.34Å; L713-T717 PolarHBondContact O-OG1 3.3Å
714I89.8Confident90.5Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-62.5-49.4178.3-63172.6000110.4T585 I662 F707 D712 Q716 T717 A718T585-I714 HydrophobicContact CG2-CD1 3.69Å; I662-I714 HydrophobicContact CD1-CD1 4.09Å; I662-I714 HydrophobicContact CG2-CG2 3.76Å; F707-I714 HydrophobicContact CB-CG2 3.86Å; F707-I714 HydrophobicContact CD1-CG2 3.63Å; F707-I714 HydrophobicContact CE1-CG2 4.38Å; F707-I714 HydrophobicContact CG-CG2 3.81Å; D712-I714 PolarHBondContact O-N 3.05Å; D712-I714 VanDerWaalsContact O-N 3.14Å; I714-Q716 VanDerWaalsContact C-N 3.31Å; I714-Q716 PolarHBondContact O-N 2.87Å; I714-T717 PolarHBondContact O-N 3.46Å; I714-A718 WeakPolarHBondContact O-CB 3.46Å; I714-A718 PolarHBondContact O-N 3.08Å
715G89.4Confident90.4Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-65.3-33.6179.800000113.7F707 D712 R719F707-G715 WeakPolarHBondContact O-CA 3.11Å; D712-G715 PolarHBondContact O-N 2.67Å; D712-G715 PolarHBondContact OD1-N 2.88Å; G715-R719 PolarHBondContact O-N 3.39Å; G715-R719 VanDerWaalsContact O-N 3.11Å
716Q87Confident90.1Very high32 Ų3223.6 Ų23.615%0.1513%0.128CC..Hα-helixtrans-67.8-48.4173.8-66.5172.530.800111.4E462 S711 D712 L713 I714 A718 R719 V720E462-Q716 PolarHBondContact O-NE2 3.28Å; E462-Q716 PolarHBondContact O-OE1 3.34Å; S711-Q716 PolarHBondContact O-NE2 3.24Å; D712-Q716 PolarHBondContact O-N 2.91Å; L713-Q716 PolarHBondContact O-N 3.23Å; I714-Q716 VanDerWaalsContact C-N 3.31Å; I714-Q716 PolarHBondContact O-N 2.87Å; Q716-A718 VanDerWaalsContact C-N 3.26Å; Q716-A718 PolarHBondContact O-N 2.81Å; Q716-R719 PolarHBondContact O-N 2.82Å; Q716-R719 VanDerWaalsContact O-N 3.17Å; Q716-V720 WeakPolarHBondContact O-CG2 3.26Å; Q716-V720 PolarHBondContact O-N 2.87Å; Q716-V720 VanDerWaalsContact O-N 3.1Å
717T89.9Confident89.9Confident2 Ų228.5 Ų28.51%0.01215%0.147CC..Hα-helixtrans-59.4-40177.3-52.50000110.9L489 F490 C663 L666 L713 I714 V720 C721L489-T717 HydrophobicContact CB-CG2 3.78Å; L489-T717 HydrophobicContact CD1-CG2 4.23Å; F490-T717 HydrophobicContact CD1-CG2 4.23Å; C663-T717 HydrophobicContact CB-CG2 3.99Å; C663-T717 PolarHBondContact SG-OG1 3.08Å; L666-T717 HydrophobicContact CB-CG2 4.23Å; L666-T717 HydrophobicContact CD1-CG2 4.01Å; L713-T717 WeakPolarHBondContact O-CB 3.34Å; L713-T717 PolarHBondContact O-N 3.34Å; L713-T717 PolarHBondContact O-OG1 3.3Å; I714-T717 PolarHBondContact O-N 3.46Å; T717-V720 PolarHBondContact O-N 2.97Å; T717-C721 VanDerWaalsContact O-CB 3.29Å; T717-C721 WeakPolarHBondContact O-CB 3.12Å; T717-C721 PolarHBondContact O-N 3.49Å
718A92.9Very high89.6Confident0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-64.8-40177.100000112.8L666 T704 F707 A708 I714 Q716 C721 L722L666-A718 HydrophobicContact CD1-CB 3.89Å; T704-A718 HydrophobicContact CG2-CB 4.21Å; F707-A718 HydrophobicContact CB-CB 3.73Å; A708-A718 HydrophobicContact CB-CB 4.07Å; I714-A718 WeakPolarHBondContact O-CB 3.46Å; I714-A718 PolarHBondContact O-N 3.08Å; Q716-A718 VanDerWaalsContact C-N 3.26Å; Q716-A718 PolarHBondContact O-N 2.81Å; A718-C721 WeakPolarHBondContact O-CB 3.48Å; A718-C721 PolarHBondContact O-N 3.45Å; A718-L722 WeakPolarHBondContact O-CG 3.31Å; A718-L722 PolarHBondContact O-N 3.08Å
719R92.4Very high89.4Confident69 Ų6928.7 Ų28.726%0.2615%0.15SC..Hα-helixtrans-64.8-43.3174.8-76-171.5176.187.62.2112.7A708 R710 G715 Q716 C721 L722 D723 E793A708-R719 HydrophobicContact CB-CG 4.06Å; A708-R719 PolarHBondContact O-NH1 3.21Å; A708-R719 PolarHBondContact O-NH2 3.04Å; R710-R719 PolarHBondContact O-NH1 3.04Å; G715-R719 PolarHBondContact O-N 3.39Å; G715-R719 VanDerWaalsContact O-N 3.11Å; Q716-R719 PolarHBondContact O-N 2.82Å; Q716-R719 VanDerWaalsContact O-N 3.17Å; R719-C721 VanDerWaalsContact C-N 3.29Å; R719-C721 PolarHBondContact O-N 3.37Å; R719-L722 PolarHBondContact O-N 2.98Å; R719-D723 PolarHBondContact O-N 3.36Å; R719-D723 VanDerWaalsContact O-N 3.11Å; R719-E793 IonicContact NH2-OE2 2.85Å
720V91.1Very high89.1Confident47 Ų4733.2 Ų33.229%0.28517%0.167SC..Hα-helixtrans-64.3-38.3174.8-176.20000110.4L489 Q716 T717 D723 Q724L489-V720 HydrophobicContact CD2-CB 4.49Å; L489-V720 HydrophobicContact CD2-CG1 3.81Å; Q716-V720 WeakPolarHBondContact O-CG2 3.26Å; Q716-V720 PolarHBondContact O-N 2.87Å; Q716-V720 VanDerWaalsContact O-N 3.1Å; T717-V720 PolarHBondContact O-N 2.97Å; V720-D723 PolarHBondContact O-N 3.44Å; V720-Q724 WeakPolarHBondContact O-CB 3.29Å; V720-Q724 PolarHBondContact O-N 3.45Å
721C93.8Very high89.1Confident0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-58.5-49.7173.3-170.30000111.3L489 L666 T704 T717 A718 R719 D723 Q724 V725L489-C721 HydrophobicContact CD1-CB 3.78Å; L666-C721 HydrophobicContact CB-CB 4.36Å; L666-C721 PolarHBondContact O-SG 2.8Å; L666-C721 VanDerWaalsContact O-SG 3.32Å; T704-C721 HydrophobicContact CG2-CB 4.07Å; T717-C721 VanDerWaalsContact O-CB 3.29Å; T717-C721 WeakPolarHBondContact O-CB 3.12Å; T717-C721 PolarHBondContact O-N 3.49Å; A718-C721 WeakPolarHBondContact O-CB 3.48Å; A718-C721 PolarHBondContact O-N 3.45Å; R719-C721 VanDerWaalsContact C-N 3.29Å; R719-C721 PolarHBondContact O-N 3.37Å; C721-D723 PolarHBondContact O-N 3.45Å; C721-Q724 PolarHBondContact O-N 3.48Å; C721-V725 WeakPolarHBondContact O-CB 3.25Å; C721-V725 WeakPolarHBondContact O-CG2 3.43Å; C721-V725 PolarHBondContact O-N 3.28Å
722L94.2Very high89.5Confident0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-58.4-44.3178.2-71.3174.5000112.5L701 T704 V705 A708 A718 R719 A726 V734 L737L701-L722 HydrophobicContact CD1-CD2 3.84Å; T704-L722 HydrophobicContact CG2-CD2 3.66Å; T704-L722 HydrophobicContact CG2-CG 3.74Å; V705-L722 HydrophobicContact CG2-CD2 4.14Å; A708-L722 HydrophobicContact CB-CD1 3.84Å; A718-L722 WeakPolarHBondContact O-CG 3.31Å; A718-L722 PolarHBondContact O-N 3.08Å; R719-L722 PolarHBondContact O-N 2.98Å; L722-A726 VanDerWaalsContact O-CB 3.27Å; L722-A726 WeakPolarHBondContact O-CB 3.38Å; L722-A726 PolarHBondContact O-N 3.47Å; L722-V734 HydrophobicContact CB-CG1 4.03Å; L722-V734 HydrophobicContact CB-CG2 4.2Å; L722-V734 HydrophobicContact CD1-CG1 4.3Å; L722-L737 HydrophobicContact CD2-CD2 4.45Å
723D91.6Very high89.9Confident60 Ų6035.8 Ų35.832%0.32118%0.183SC..Hα-helixtrans-62.8-44.1178.1-17966.5000111.9R719 V720 C721 K727 V734R719-D723 PolarHBondContact O-N 3.36Å; R719-D723 VanDerWaalsContact O-N 3.11Å; V720-D723 PolarHBondContact O-N 3.44Å; C721-D723 PolarHBondContact O-N 3.45Å; D723-K727 WeakPolarHBondContact O-CG 3.36Å; D723-K727 PolarHBondContact O-N 3.03Å; D723-K727 VanDerWaalsContact O-N 3.16Å; D723-K727 IonicContact OD1-NZ 2.81Å; D723-K727 WeakPolarHBondContact OD2-CE 3.24Å; D723-K727 IonicContact OD2-NZ 3.93Å; D723-K727 PolarHBondContact OD2-NZ 3.35Å; D723-V734 HydrophobicContact CB-CG2 4.28Å
724Q89.9Confident90.2Very high62 Ų6235.3 Ų35.329%0.2918%0.182SC..Hα-helixtrans-72.7-38.8180-170.760.647.700112.5C670 V720 C721 A726 K727 N728C670-Q724 VanDerWaalsContact SG-CB 3.55Å; C670-Q724 WeakPolarHBondContact SG-CG 3.23Å; V720-Q724 WeakPolarHBondContact O-CB 3.29Å; V720-Q724 PolarHBondContact O-N 3.45Å; C721-Q724 PolarHBondContact O-N 3.48Å; Q724-A726 VanDerWaalsContact C-N 3.35Å; Q724-K727 PolarHBondContact O-N 2.75Å; Q724-N728 PolarHBondContact NE2-OD1 3.36Å; Q724-N728 WeakPolarHBondContact O-CB 3.46Å; Q724-N728 PolarHBondContact O-N 3.24Å; Q724-N728 PolarHBondContact O-ND2 3.26Å; Q724-N728 PolarHBondContact O-OD1 3.34Å
725V91.8Very high90.4Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-63.7-42.3174.4169.90000110.1F669 L697 C721 K727 N728 C729 L737F669-V725 HydrophobicContact CD1-CG2 4.05Å; F669-V725 HydrophobicContact CE1-CG1 4.24Å; F669-V725 HydrophobicContact CE1-CG2 3.75Å; F669-V725 HydrophobicContact CZ-CG1 4.02Å; F669-V725 HydrophobicContact CZ-CG2 4.19Å; L697-V725 HydrophobicContact CD1-CG1 3.98Å; C721-V725 WeakPolarHBondContact O-CB 3.25Å; C721-V725 WeakPolarHBondContact O-CG2 3.43Å; C721-V725 PolarHBondContact O-N 3.28Å; V725-K727 VanDerWaalsContact C-N 3.32Å; V725-K727 PolarHBondContact O-N 3.14Å; V725-N728 PolarHBondContact O-N 2.85Å; V725-C729 VanDerWaalsContact O-CB 3.26Å; V725-C729 WeakPolarHBondContact O-CB 3.39Å; V725-C729 PolarHBondContact O-N 3.26Å; V725-C729 PolarHBondContact O-SG 3.27Å; V725-C729 VanDerWaalsContact O-SG 3.36Å; V725-L737 HydrophobicContact CG1-CD2 4.38Å
726A90.8Very high90.6Very high2 Ų241 Ų412%0.01721%0.213CC..Hα-helixtrans-55.4-48.6174.400000111.1L722 Q724 C729 K730 Y731 V734 L737L722-A726 VanDerWaalsContact O-CB 3.27Å; L722-A726 WeakPolarHBondContact O-CB 3.38Å; L722-A726 PolarHBondContact O-N 3.47Å; Q724-A726 VanDerWaalsContact C-N 3.35Å; A726-C729 CarbonylContact O-C 3.59Å; A726-C729 PolarHBondContact O-N 3.28Å; A726-K730 PolarHBondContact O-N 2.68Å; A726-K730 VanDerWaalsContact O-N 3.13Å; A726-Y731 PolarHBondContact O-N 3.26Å; A726-V734 HydrophobicContact CB-CG2 4.44Å; A726-L737 HydrophobicContact CB-CB 4.21Å; A726-L737 HydrophobicContact CB-CD2 4.08Å
727K88.1Confident90.8Very high116 Ų11639.5 Ų39.550%0.50421%0.206SC..Hα-helixtrans-62.1-47.2176.9-70.5166.5-179.31650112.8D723 Q724 V725 C729 K730D723-K727 WeakPolarHBondContact O-CG 3.36Å; D723-K727 PolarHBondContact O-N 3.03Å; D723-K727 VanDerWaalsContact O-N 3.16Å; D723-K727 IonicContact OD1-NZ 2.81Å; D723-K727 WeakPolarHBondContact OD2-CE 3.24Å; D723-K727 IonicContact OD2-NZ 3.93Å; D723-K727 PolarHBondContact OD2-NZ 3.35Å; Q724-K727 PolarHBondContact O-N 2.75Å; V725-K727 VanDerWaalsContact C-N 3.32Å; V725-K727 PolarHBondContact O-N 3.14Å; K727-C729 VanDerWaalsContact C-N 3.26Å; K727-C729 PolarHBondContact O-N 3.41Å; K727-K730 PolarHBondContact O-N 2.94Å; K727-K730 VanDerWaalsContact O-N 3.09Å
728N87.5Confident91Very high11 Ų1139.4 Ų39.46%0.05921%0.205CC..Hα-helixtrans-63.8-34.8-179.8-68.1-10000111.8C670 S673 Q674 T677 Q724 V725 K730C670-N728 PolarHBondContact O-ND2 2.62Å; S673-N728 PolarHBondContact OG-ND2 3.49Å; Q674-N728 WeakPolarHBondContact CG-ND2 3.29Å; T677-N728 HydrophobicContact CG2-CB 4.21Å; Q724-N728 PolarHBondContact NE2-OD1 3.36Å; Q724-N728 WeakPolarHBondContact O-CB 3.46Å; Q724-N728 PolarHBondContact O-N 3.24Å; Q724-N728 PolarHBondContact O-ND2 3.26Å; Q724-N728 PolarHBondContact O-OD1 3.34Å; V725-N728 PolarHBondContact O-N 2.85Å; N728-K730 VanDerWaalsContact C-N 3.29Å; N728-K730 PolarHBondContact O-N 3.4Å
729C87.1Confident91Very high13 Ų1340.8 Ų40.89%0.08821%0.213CC..THydrogen-bonded Turntrans-85.76.4176.4-640000114.1F693 V725 A726 K727 Y731F693-C729 WeakPolarHBondContact CE1-SG 3.29Å; V725-C729 VanDerWaalsContact O-CB 3.26Å; V725-C729 WeakPolarHBondContact O-CB 3.39Å; V725-C729 PolarHBondContact O-N 3.26Å; V725-C729 PolarHBondContact O-SG 3.27Å; V725-C729 VanDerWaalsContact O-SG 3.36Å; A726-C729 CarbonylContact O-C 3.59Å; A726-C729 PolarHBondContact O-N 3.28Å; K727-C729 VanDerWaalsContact C-N 3.26Å; K727-C729 PolarHBondContact O-N 3.41Å; C729-Y731 VanDerWaalsContact C-N 3.29Å; C729-Y731 HydrophobicContact CB-CD2 3.55Å; C729-Y731 HydrophobicContact CB-CE2 3.51Å; C729-Y731 PolarHBondContact O-N 3.15Å
730K84.5Confident90.8Very high118 Ų11841.5 Ų41.551%0.51323%0.225SC..THydrogen-bonded Turntrans65.922.9177.7-50.9172.9-173.5161.20115T679 A726 K727 N728T679-K730 PolarHBondContact OG1-NZ 3.35Å; A726-K730 PolarHBondContact O-N 2.68Å; A726-K730 VanDerWaalsContact O-N 3.13Å; K727-K730 PolarHBondContact O-N 2.94Å; K727-K730 VanDerWaalsContact O-N 3.09Å; N728-K730 VanDerWaalsContact C-N 3.29Å; N728-K730 PolarHBondContact O-N 3.4Å
731Y88.6Confident90.8Very high46 Ų4639.9 Ų39.918%0.1822%0.215CC..  trans-79.8141.2166.4-61-74.3000110A726 C729 S733 E736 L737 V740 N741A726-Y731 PolarHBondContact O-N 3.26Å; C729-Y731 VanDerWaalsContact C-N 3.29Å; C729-Y731 HydrophobicContact CB-CD2 3.55Å; C729-Y731 HydrophobicContact CB-CE2 3.51Å; C729-Y731 PolarHBondContact O-N 3.15Å; Y731-S733 VanDerWaalsContact C-N 3.26Å; Y731-S733 PolarHBondContact O-N 3.04Å; Y731-E736 HydrophobicContact CD1-CB 4.43Å; Y731-E736 HydrophobicContact CD1-CG 3.97Å; Y731-L737 HydrophobicContact CD2-CB 3.83Å; Y731-L737 HydrophobicContact CD2-CD1 3.51Å; Y731-L737 HydrophobicContact CD2-CG 4.24Å; Y731-L737 HydrophobicContact CE2-CB 4.32Å; Y731-L737 HydrophobicContact CE2-CD1 3.26Å; Y731-L737 HydrophobicContact CE2-CG 4.38Å; Y731-L737 HydrophobicContact CG-CB 3.93Å; Y731-L737 HydrophobicContact CG-CD1 4.39Å; Y731-V740 HydrophobicContact CE1-CB 3.97Å; Y731-V740 HydrophobicContact CE1-CG1 4.09Å; Y731-V740 HydrophobicContact CE1-CG2 4.08Å; Y731-N741 PolarHBondContact OH-ND2 3.17Å
732S89.1Confident90.7Very high103 Ų10340 Ų4072%0.7222%0.216SC*.SBendtrans-68.8-26.1178.266.40000113E736S732-E736 WeakPolarHBondContact CA-OE2 3.36Å; S732-E736 WeakPolarHBondContact CB-OE2 3.5Å; S732-E736 PolarHBondContact N-OE2 2.85Å; S732-E736 PolarHBondContact OG-OE2 2.62Å
733S92.2Very high90.5Very high47 Ų4744.7 Ų44.733%0.32924%0.241SC..SBendtrans-157.5163.5-177640000111.7Y731 S735 E736 L737Y731-S733 VanDerWaalsContact C-N 3.26Å; Y731-S733 PolarHBondContact O-N 3.04Å; S733-S735 PolarHBondContact O-N 2.89Å; S733-E736 PolarHBondContact O-N 3Å; S733-E736 PolarHBondContact OG-N 3.36Å; S733-L737 PolarHBondContact O-N 3.15Å; S733-L737 VanDerWaalsContact O-N 3.12Å
734V93.4Very high90.5Very high14 Ų1444.3 Ų44.39%0.08524%0.236CC..Hα-helixtrans-59.5-35.4170.6-179.10000111.1L722 D723 A726 E736 L737 I738 Y794L722-V734 HydrophobicContact CB-CG1 4.03Å; L722-V734 HydrophobicContact CB-CG2 4.2Å; L722-V734 HydrophobicContact CD1-CG1 4.3Å; D723-V734 HydrophobicContact CB-CG2 4.28Å; A726-V734 HydrophobicContact CB-CG2 4.44Å; V734-E736 VanDerWaalsContact C-N 3.34Å; V734-E736 PolarHBondContact O-N 3.39Å; V734-L737 PolarHBondContact O-N 3.01Å; V734-I738 HydrophobicContact CG1-CG1 4.15Å; V734-I738 VanDerWaalsContact O-CG1 3.27Å; V734-I738 WeakPolarHBondContact O-CG1 3.49Å; V734-I738 PolarHBondContact O-N 2.94Å; V734-Y794 HydrophobicContact CB-CD1 4.05Å; V734-Y794 HydrophobicContact CB-CE1 4.03Å; V734-Y794 HydrophobicContact CG1-CD1 3.76Å; V734-Y794 HydrophobicContact CG1-CD2 4.03Å; V734-Y794 HydrophobicContact CG1-CE1 3.83Å; V734-Y794 HydrophobicContact CG1-CE2 4.08Å; V734-Y794 HydrophobicContact CG1-CG 3.88Å
735S94Very high90.7Very high43 Ų4341.4 Ų41.430%0.30122%0.222SC..Hα-helixtrans-61-40.7175.5-71.30000112.8S733 T739 Y794S733-S735 PolarHBondContact O-N 2.89Å; S735-T739 WeakPolarHBondContact O-CB 3.36Å; S735-T739 PolarHBondContact O-N 3.41Å; S735-T739 PolarHBondContact O-OG1 3.39Å; S735-Y794 WeakPolarHBondContact CA-O 3.35Å; S735-Y794 VanDerWaalsContact CB-O 3.25Å; S735-Y794 WeakPolarHBondContact CB-O 3.4Å; S735-Y794 PolarHBondContact OG-O 3.11Å
736E92.5Very high90.8Very high77 Ų7741.7 Ų41.736%0.3622%0.224SC..Hα-helixtrans-67.7-45175.9-168.6-177.3-174.800111.5Y731 S732 S733 V734 I738 T739 V740Y731-E736 HydrophobicContact CD1-CB 4.43Å; Y731-E736 HydrophobicContact CD1-CG 3.97Å; S732-E736 WeakPolarHBondContact CA-OE2 3.36Å; S732-E736 WeakPolarHBondContact CB-OE2 3.5Å; S732-E736 PolarHBondContact N-OE2 2.85Å; S732-E736 PolarHBondContact OG-OE2 2.62Å; S733-E736 PolarHBondContact O-N 3Å; S733-E736 PolarHBondContact OG-N 3.36Å; V734-E736 VanDerWaalsContact C-N 3.34Å; V734-E736 PolarHBondContact O-N 3.39Å; E736-I738 VanDerWaalsContact C-N 3.32Å; E736-I738 PolarHBondContact O-N 3.34Å; E736-T739 PolarHBondContact O-N 3.21Å; E736-V740 HydrophobicContact CG-CG2 4.3Å; E736-V740 WeakPolarHBondContact O-CG2 3.38Å; E736-V740 PolarHBondContact O-N 2.68Å
737L92.2Very high90.9Very high0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-53.6-49175.1168.967000111.5L697 L701 L722 V725 A726 Y731 S733 V734 N741L697-L737 HydrophobicContact CD1-CD1 4.22Å; L697-L737 HydrophobicContact CD2-CD1 4.33Å; L701-L737 HydrophobicContact CD1-CD2 4.05Å; L701-L737 HydrophobicContact CD1-CG 4.34Å; L722-L737 HydrophobicContact CD2-CD2 4.45Å; V725-L737 HydrophobicContact CG1-CD2 4.38Å; A726-L737 HydrophobicContact CB-CB 4.21Å; A726-L737 HydrophobicContact CB-CD2 4.08Å; Y731-L737 HydrophobicContact CD2-CB 3.83Å; Y731-L737 HydrophobicContact CD2-CD1 3.51Å; Y731-L737 HydrophobicContact CD2-CG 4.24Å; Y731-L737 HydrophobicContact CE2-CB 4.32Å; Y731-L737 HydrophobicContact CE2-CD1 3.26Å; Y731-L737 HydrophobicContact CE2-CG 4.38Å; Y731-L737 HydrophobicContact CG-CB 3.93Å; Y731-L737 HydrophobicContact CG-CD1 4.39Å; S733-L737 PolarHBondContact O-N 3.15Å; S733-L737 VanDerWaalsContact O-N 3.12Å; V734-L737 PolarHBondContact O-N 3.01Å; L737-N741 WeakPolarHBondContact O-CB 3.47Å; L737-N741 PolarHBondContact O-N 3.17Å; L737-N741 PolarHBondContact O-ND2 3.19Å
738I93.8Very high91Very high0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-68.9-40.3-178.6-65.8-64.3000111.4L701 V705 V734 E736 N741 A742 L745 L791L701-I738 HydrophobicContact CD1-CD1 4.41Å; V705-I738 HydrophobicContact CG2-CD1 3.5Å; V705-I738 VanDerWaalsContact CG2-CD1 3.5Å; V734-I738 HydrophobicContact CG1-CG1 4.15Å; V734-I738 VanDerWaalsContact O-CG1 3.27Å; V734-I738 WeakPolarHBondContact O-CG1 3.49Å; V734-I738 PolarHBondContact O-N 2.94Å; E736-I738 VanDerWaalsContact C-N 3.32Å; E736-I738 PolarHBondContact O-N 3.34Å; I738-N741 CarbonylContact O-C 3.58Å; I738-N741 PolarHBondContact O-N 2.91Å; I738-A742 WeakPolarHBondContact O-CA 3.39Å; I738-A742 WeakPolarHBondContact O-CB 3.33Å; I738-A742 PolarHBondContact O-N 2.87Å; I738-L745 HydrophobicContact CD1-CD1 3.93Å; I738-L745 HydrophobicContact CG2-CD1 4.35Å; I738-L791 HydrophobicContact CG2-CD1 3.54Å
739T91.8Very high91.3Very high28 Ų2839.7 Ų39.717%0.17223%0.225CC..Hα-helixtrans-66.5-44.2-178.6-61.90000111.8S735 E736 N741 A742 T796 V799S735-T739 WeakPolarHBondContact O-CB 3.36Å; S735-T739 PolarHBondContact O-N 3.41Å; S735-T739 PolarHBondContact O-OG1 3.39Å; E736-T739 PolarHBondContact O-N 3.21Å; T739-N741 VanDerWaalsContact C-N 3.32Å; T739-N741 PolarHBondContact O-N 3.43Å; T739-A742 WeakPolarHBondContact O-CB 3.33Å; T739-A742 PolarHBondContact O-N 3.39Å; T739-T796 HydrophobicContact CG2-CG2 4.47Å; T739-T796 WeakPolarHBondContact CG2-OG1 3.29Å; T739-T796 PolarHBondContact OG1-N 2.84Å; T739-T796 PolarHBondContact OG1-OG1 2.97Å; T739-V799 HydrophobicContact CG2-CG2 3.73Å
740V89Confident91.5Very high84 Ų8441 Ų4151%0.50923%0.233SC..Hα-helixtrans-68.1-31.9179.5173.70000112.1Y731 E736Y731-V740 HydrophobicContact CE1-CB 3.97Å; Y731-V740 HydrophobicContact CE1-CG1 4.09Å; Y731-V740 HydrophobicContact CE1-CG2 4.08Å; E736-V740 HydrophobicContact CG-CG2 4.3Å; E736-V740 WeakPolarHBondContact O-CG2 3.38Å; E736-V740 PolarHBondContact O-N 2.68Å
741N90.7Very high91.7Very high14 Ų1440.7 Ų40.78%0.07524%0.236CC..THydrogen-bonded Turntrans-100.215-179.5-66.1-85.6000113.4L701 Y731 L737 I738 T739 D743 Y744 L745L701-N741 HydrophobicContact CD2-CB 3.72Å; Y731-N741 PolarHBondContact OH-ND2 3.17Å; L737-N741 WeakPolarHBondContact O-CB 3.47Å; L737-N741 PolarHBondContact O-N 3.17Å; L737-N741 PolarHBondContact O-ND2 3.19Å; I738-N741 CarbonylContact O-C 3.58Å; I738-N741 PolarHBondContact O-N 2.91Å; T739-N741 VanDerWaalsContact C-N 3.32Å; T739-N741 PolarHBondContact O-N 3.43Å; N741-D743 VanDerWaalsContact C-N 3.34Å; N741-D743 PolarHBondContact O-N 2.93Å; N741-Y744 PolarHBondContact O-N 2.92Å; N741-L745 WeakPolarHBondContact O-CG 3.41Å; N741-L745 PolarHBondContact O-N 2.96Å
742A91.9Very high91.6Very high3 Ų339 Ų393%0.02523%0.23CC..Hα-helixtrans-70.1-30.8-171.600000113.3I738 T739 Y744 L745 V746 V799I738-A742 WeakPolarHBondContact O-CA 3.39Å; I738-A742 WeakPolarHBondContact O-CB 3.33Å; I738-A742 PolarHBondContact O-N 2.87Å; T739-A742 WeakPolarHBondContact O-CB 3.33Å; T739-A742 PolarHBondContact O-N 3.39Å; A742-Y744 VanDerWaalsContact C-N 3.34Å; A742-Y744 PolarHBondContact O-N 3.45Å; A742-L745 PolarHBondContact O-N 3.43Å; A742-V746 VanDerWaalsContact O-CB 3.23Å; A742-V746 WeakPolarHBondContact O-CB 3.47Å; A742-V746 WeakPolarHBondContact O-CG2 3.47Å; A742-V746 PolarHBondContact O-N 2.76Å; A742-V799 HydrophobicContact CB-CB 4.27Å; A742-V799 HydrophobicContact CB-CG1 3.26Å; A742-V799 HydrophobicContact CB-CG2 3.89Å
743D90.6Very high91.6Very high97 Ų9734.2 Ų34.252%0.51920%0.196SC..Hα-helixtrans-55.5-48.4174.764.1-32.8000111.7N741 S747N741-D743 VanDerWaalsContact C-N 3.34Å; N741-D743 PolarHBondContact O-N 2.93Å; D743-S747 WeakPolarHBondContact O-CB 3.43Å; D743-S747 PolarHBondContact O-N 2.86Å
744Y91.1Very high91.3Very high53 Ų5336 Ų3621%0.20820%0.2CC..Hα-helixtrans-65.7-48.6176.4164.1-104.1000111.9R698 L702 N741 A742 S747 S748R698-Y744 HydrophobicContact CB-CD1 4.35Å; R698-Y744 HydrophobicContact CB-CD2 4.28Å; R698-Y744 HydrophobicContact CB-CE1 3.93Å; R698-Y744 HydrophobicContact CB-CE2 3.85Å; R698-Y744 HydrophobicContact CG-CD1 3.95Å; R698-Y744 HydrophobicContact CG-CD2 3.79Å; R698-Y744 HydrophobicContact CG-CE1 4.06Å; R698-Y744 HydrophobicContact CG-CE2 3.9Å; R698-Y744 HydrophobicContact CG-CG 3.83Å; R698-Y744 WeakPolarHBondContact O-CE1 3.4Å; R698-Y744 PolarHBondContact O-OH 2.84Å; L702-Y744 HydrophobicContact CB-CE1 4.18Å; N741-Y744 PolarHBondContact O-N 2.92Å; A742-Y744 VanDerWaalsContact C-N 3.34Å; A742-Y744 PolarHBondContact O-N 3.45Å; Y744-S747 PolarHBondContact O-N 2.56Å; Y744-S748 VanDerWaalsContact CE2-OG 3.28Å; Y744-S748 WeakPolarHBondContact CE2-OG 3.28Å; Y744-S748 WeakPolarHBondContact O-CB 3.31Å; Y744-S748 PolarHBondContact O-N 3.18Å; Y744-S748 PolarHBondContact O-OG 3.34Å
745L93.6Very high90.9Very high1 Ų140 Ų401%0.00521%0.213CC..Hα-helixtrans-62.4-48.1-177.8-71.4173.8000111.1L701 L702 V705 I738 N741 A742 S748 I749 L791L701-L745 HydrophobicContact CD2-CD1 4.11Å; L701-L745 HydrophobicContact CD2-CD2 4.24Å; L701-L745 HydrophobicContact CD2-CG 4.3Å; L701-L745 HydrophobicContact CG-CD2 4.18Å; L702-L745 HydrophobicContact CB-CD2 4.05Å; L702-L745 HydrophobicContact CD1-CD2 4.03Å; V705-L745 HydrophobicContact CG2-CD1 4.47Å; I738-L745 HydrophobicContact CD1-CD1 3.93Å; I738-L745 HydrophobicContact CG2-CD1 4.35Å; N741-L745 WeakPolarHBondContact O-CG 3.41Å; N741-L745 PolarHBondContact O-N 2.96Å; A742-L745 PolarHBondContact O-N 3.43Å; L745-S748 PolarHBondContact O-N 3.29Å; L745-I749 WeakPolarHBondContact O-CB 3.26Å; L745-I749 WeakPolarHBondContact O-CD1 3.34Å; L745-I749 WeakPolarHBondContact O-CG1 3.35Å; L745-I749 PolarHBondContact O-N 2.97Å; L745-L791 HydrophobicContact CB-CD1 4.45Å; L745-L791 HydrophobicContact CD1-CD1 4.17Å
746V93.9Very high90.3Very high5 Ų538.1 Ų38.13%0.0320%0.2CC..Hα-helixtrans-64.6-44179.3172.90000111A742 S748 I749 T750 L791 V802 L803 M806A742-V746 VanDerWaalsContact O-CB 3.23Å; A742-V746 WeakPolarHBondContact O-CB 3.47Å; A742-V746 WeakPolarHBondContact O-CG2 3.47Å; A742-V746 PolarHBondContact O-N 2.76Å; V746-S748 VanDerWaalsContact C-N 3.34Å; V746-S748 PolarHBondContact O-N 2.95Å; V746-I749 PolarHBondContact O-N 2.75Å; V746-T750 VanDerWaalsContact O-CB 3.23Å; V746-T750 WeakPolarHBondContact O-CB 3.28Å; V746-T750 PolarHBondContact O-N 2.93Å; V746-T750 PolarHBondContact O-OG1 3.19Å; V746-L791 HydrophobicContact CG2-CD2 3.74Å; V746-V802 HydrophobicContact CB-CG1 3.77Å; V746-V802 HydrophobicContact CG1-CG1 3.67Å; V746-V802 HydrophobicContact CG2-CG1 4.08Å; V746-L803 HydrophobicContact CG2-CD2 3.77Å; V746-M806 HydrophobicContact CB-SD 4.16Å; V746-M806 HydrophobicContact CG1-CB 3.69Å; V746-M806 HydrophobicContact CG1-CG 3.99Å; V746-M806 HydrophobicContact CG1-SD 3.72Å; V746-M806 HydrophobicContact CG2-SD 4Å
747S92.9Very high89.8Confident65 Ų6534.9 Ų34.946%0.45519%0.185SC..Hα-helixtrans-58.3-47.2176.6-177.60000111.3D743 Y744 T750 L751D743-S747 WeakPolarHBondContact O-CB 3.43Å; D743-S747 PolarHBondContact O-N 2.86Å; Y744-S747 PolarHBondContact O-N 2.56Å; S747-T750 PolarHBondContact O-N 3.39Å; S747-L751 WeakPolarHBondContact O-CG 3.44Å; S747-L751 PolarHBondContact O-N 3.08Å
748S90.7Very high89.2Confident21 Ų2139.3 Ų39.315%0.14721%0.208CC..Hα-helixtrans-64.2-45.3-179.7-56.90000112.5Y744 L745 V746 T750 L751 D752Y744-S748 VanDerWaalsContact CE2-OG 3.28Å; Y744-S748 WeakPolarHBondContact CE2-OG 3.28Å; Y744-S748 WeakPolarHBondContact O-CB 3.31Å; Y744-S748 PolarHBondContact O-N 3.18Å; Y744-S748 PolarHBondContact O-OG 3.34Å; L745-S748 PolarHBondContact O-N 3.29Å; V746-S748 VanDerWaalsContact C-N 3.34Å; V746-S748 PolarHBondContact O-N 2.95Å; S748-T750 VanDerWaalsContact C-N 3.34Å; S748-T750 PolarHBondContact O-N 3.45Å; S748-L751 PolarHBondContact O-N 2.68Å; S748-D752 PolarHBondContact O-N 3.01Å
749I93Very high88.3Confident1 Ų142.6 Ų42.61%0.00523%0.225CC..Hα-helixtrans-62-43.7175.7-68.9165.6000110.6L702 L745 V746 L751 D752 L753 A784 A787 T788 L791 M806L702-I749 HydrophobicContact CD1-CG1 4.07Å; L745-I749 WeakPolarHBondContact O-CB 3.26Å; L745-I749 WeakPolarHBondContact O-CD1 3.34Å; L745-I749 WeakPolarHBondContact O-CG1 3.35Å; L745-I749 PolarHBondContact O-N 2.97Å; V746-I749 PolarHBondContact O-N 2.75Å; I749-L751 VanDerWaalsContact C-N 3.31Å; I749-L751 PolarHBondContact O-N 3.24Å; I749-D752 PolarHBondContact O-N 3.4Å; I749-L753 HydrophobicContact CG2-CD1 4.06Å; I749-L753 HydrophobicContact CG2-CG 4.48Å; I749-L753 WeakPolarHBondContact O-CG 3.41Å; I749-L753 PolarHBondContact O-N 3Å; I749-A784 HydrophobicContact CG2-CB 4.48Å; I749-A787 HydrophobicContact CD1-CB 3.94Å; I749-A787 HydrophobicContact CG1-CB 4.16Å; I749-T788 WeakPolarHBondContact CG2-OG1 3.23Å; I749-L791 HydrophobicContact CD1-CD2 4.07Å; I749-M806 HydrophobicContact CB-SD 4.15Å; I749-M806 HydrophobicContact CD1-SD 4.46Å; I749-M806 HydrophobicContact CG2-CG 4.41Å; I749-M806 HydrophobicContact CG2-SD 3.8Å
750T91.5Very high87.3Confident41 Ų4142 Ų4225%0.25222%0.222SC..Hα-helixtrans-63-39.2179.4-57.90000111.3V746 S747 S748 L753 H754 K809V746-T750 VanDerWaalsContact O-CB 3.23Å; V746-T750 WeakPolarHBondContact O-CB 3.28Å; V746-T750 PolarHBondContact O-N 2.93Å; V746-T750 PolarHBondContact O-OG1 3.19Å; S747-T750 PolarHBondContact O-N 3.39Å; S748-T750 VanDerWaalsContact C-N 3.34Å; S748-T750 PolarHBondContact O-N 3.45Å; T750-L753 PolarHBondContact O-N 2.77Å; T750-H754 WeakPolarHBondContact O-CB 3.41Å; T750-H754 PolarHBondContact O-N 2.97Å; T750-K809 HydrophobicContact CG2-CB 4.45Å; T750-K809 HydrophobicContact CG2-CG 4.14Å
751L89Confident86.4Confident111 Ų11142.6 Ų42.658%0.58122%0.221SC*.Hα-helixtrans-66.7-43.1174.8-73.1173.3000112.2S747 S748 I749 L753 H754 R755S747-L751 WeakPolarHBondContact O-CG 3.44Å; S747-L751 PolarHBondContact O-N 3.08Å; S748-L751 PolarHBondContact O-N 2.68Å; I749-L751 VanDerWaalsContact C-N 3.31Å; I749-L751 PolarHBondContact O-N 3.24Å; L751-L753 VanDerWaalsContact C-N 3.34Å; L751-L753 PolarHBondContact O-N 3.38Å; L751-H754 PolarHBondContact O-N 2.79Å; L751-R755 WeakPolarHBondContact O-CB 3.39Å; L751-R755 PolarHBondContact O-N 3.03Å
752D87Confident85.1Confident12 Ų1245.5 Ų45.56%0.06424%0.239CC..Hα-helixtrans-61.4-43.1175.4-81.6-23.1000111R578 S748 I749 R755 V756 A784R578-D752 IonicContact CZ-OD1 2.86Å; R578-D752 IonicContact NH1-OD1 3.01Å; R578-D752 PolarHBondContact NH1-OD1 3.26Å; R578-D752 IonicContact NH1-OD2 2.83Å; R578-D752 IonicContact NH2-OD1 2.78Å; R578-D752 PolarHBondContact NH2-OD1 3.16Å; S748-D752 PolarHBondContact O-N 3.01Å; I749-D752 PolarHBondContact O-N 3.4Å; D752-R755 WeakPolarHBondContact O-CB 3.29Å; D752-R755 PolarHBondContact O-N 3.12Å; D752-V756 WeakPolarHBondContact O-CG2 3.48Å; D752-V756 PolarHBondContact O-N 3.37Å; D752-V756 VanDerWaalsContact O-N 3.08Å; D752-A784 HydrophobicContact CB-CB 4.16Å
753L88.8Confident83.4Confident1 Ų148.2 Ų48.21%0.00526%0.258CS..Hα-helixtrans-63.9-40.3173.9-69.7171.7000112.3I749 T750 L751 R755 V756 N757 L781 A784 K809 M810 F825I749-L753 HydrophobicContact CG2-CD1 4.06Å; I749-L753 HydrophobicContact CG2-CG 4.48Å; I749-L753 WeakPolarHBondContact O-CG 3.41Å; I749-L753 PolarHBondContact O-N 3Å; T750-L753 PolarHBondContact O-N 2.77Å; L751-L753 VanDerWaalsContact C-N 3.34Å; L751-L753 PolarHBondContact O-N 3.38Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 3.34Å; L753-V756 PolarHBondContact O-N 3.23Å; L753-N757 PolarHBondContact O-N 3.01Å; L753-N757 PolarHBondContact O-OD1 2.69Å; L753-L781 HydrophobicContact CD2-CD1 3.75Å; L753-A784 HydrophobicContact CD2-CB 4.33Å; L753-A784 HydrophobicContact CG-CB 4.44Å; L753-K809 HydrophobicContact CB-CG 4.29Å; L753-M810 HydrophobicContact CD1-CB 4.45Å; L753-M810 HydrophobicContact CD1-CG 3.52Å; L753-F825 HydrophobicContact CD2-CE1 4.25Å
754H86.3Confident81.8Confident86 Ų8647.9 Ų47.940%0.39826%0.263SS..Hα-helixtrans-62.7-41.8175.8-172.882.7000111.7T750 L751 V756 N757 L758T750-H754 WeakPolarHBondContact O-CB 3.41Å; T750-H754 PolarHBondContact O-N 2.97Å; L751-H754 PolarHBondContact O-N 2.79Å; H754-V756 VanDerWaalsContact C-N 3.34Å; H754-V756 PolarHBondContact O-N 3.15Å; H754-N757 PolarHBondContact O-N 2.97Å; H754-L758 WeakPolarHBondContact NE2-CD1 3.42Å; H754-L758 PolarHBondContact O-N 3.01Å
755R84.8Confident80.1Confident98 Ų9849.8 Ų49.837%0.3728%0.284SS..Hα-helixtrans-59.5-44.1175.4-173.6176.973.4161.68.1111.8R578 L751 D752 L753 N757 L758 L759 S780R578-R755 VanDerWaalsContact NH1-NH2 3.11Å; L751-R755 WeakPolarHBondContact O-CB 3.39Å; L751-R755 PolarHBondContact O-N 3.03Å; D752-R755 WeakPolarHBondContact O-CB 3.29Å; D752-R755 PolarHBondContact O-N 3.12Å; L753-R755 VanDerWaalsContact C-N 3.33Å; L753-R755 PolarHBondContact O-N 3.34Å; R755-N757 VanDerWaalsContact C-N 3.33Å; R755-N757 PolarHBondContact O-N 2.79Å; R755-L758 PolarHBondContact O-N 3.44Å; R755-L759 HydrophobicContact CG-CD1 3.99Å; R755-L759 WeakPolarHBondContact O-CG 3.28Å; R755-L759 PolarHBondContact O-N 3.49Å; R755-S780 PolarHBondContact NH2-OG 2.97Å
756V81.1Confident78Confident2 Ų255 Ų551%0.01231%0.312CS..Hα-helixtrans-59.1-44.4175.1173.20000111D752 L753 H754 L758 L759 T760 V777 L781 T817D752-V756 WeakPolarHBondContact O-CG2 3.48Å; D752-V756 PolarHBondContact O-N 3.37Å; D752-V756 VanDerWaalsContact O-N 3.08Å; L753-V756 PolarHBondContact O-N 3.23Å; H754-V756 VanDerWaalsContact C-N 3.34Å; H754-V756 PolarHBondContact O-N 3.15Å; V756-L758 PolarHBondContact O-N 3.35Å; V756-L759 PolarHBondContact O-N 3.47Å; V756-T760 HydrophobicContact CG1-CG2 4.36Å; V756-T760 WeakPolarHBondContact O-CB 3.47Å; V756-T760 VanDerWaalsContact O-CG2 3.26Å; V756-T760 WeakPolarHBondContact O-CG2 3.2Å; V756-T760 PolarHBondContact O-N 2.8Å; V756-T760 PolarHBondContact O-OG1 3.12Å; V756-V777 HydrophobicContact CB-CG1 4.44Å; V756-V777 HydrophobicContact CG1-CG1 4.06Å; V756-V777 HydrophobicContact CG2-CG1 4.15Å; V756-L781 HydrophobicContact CG1-CD1 4.45Å; V756-L781 HydrophobicContact CG1-CD2 4.38Å; V756-L781 HydrophobicContact CG2-CB 4.07Å; V756-L781 HydrophobicContact CG2-CD1 4.44Å; V756-T817 HydrophobicContact CG1-CG2 3.94Å
757N81.3Confident76Confident10 Ų1058.6 Ų58.65%0.05335%0.35CS..Hα-helixtrans-66.1-36.5179.2-68.27.8000112.6L753 H754 R755 T760 I761 K809 S813L753-N757 PolarHBondContact O-N 3.01Å; L753-N757 PolarHBondContact O-OD1 2.69Å; H754-N757 PolarHBondContact O-N 2.97Å; R755-N757 VanDerWaalsContact C-N 3.33Å; R755-N757 PolarHBondContact O-N 2.79Å; N757-T760 VanDerWaalsContact C-OG1 3.32Å; N757-T760 VanDerWaalsContact CA-OG1 3.31Å; N757-T760 WeakPolarHBondContact CA-OG1 3.25Å; N757-T760 PolarHBondContact O-OG1 3.38Å; N757-I761 VanDerWaalsContact O-CD1 3.28Å; N757-I761 WeakPolarHBondContact O-CD1 2.99Å; N757-I761 WeakPolarHBondContact O-CG1 3.44Å; N757-I761 PolarHBondContact O-N 2.99Å; N757-K809 PolarHBondContact ND2-NZ 3.32Å; N757-S813 PolarHBondContact ND2-OG 3.33Å; N757-S813 VanDerWaalsContact ND2-OG 3.1Å; N757-S813 WeakPolarHBondContact OD1-CA 3.43Å; N757-S813 VanDerWaalsContact OD1-CB 3.22Å; N757-S813 WeakPolarHBondContact OD1-CB 3.28Å; N757-S813 PolarHBondContact OD1-OG 3.43Å
758L80.4Confident73.7Confident92 Ų9259.6 Ų59.648%0.48236%0.357SS..Hα-helixtrans-67.1-44.2175.9-70.3179000111.7H754 R755 V756 T760 I761 T762H754-L758 WeakPolarHBondContact NE2-CD1 3.42Å; H754-L758 PolarHBondContact O-N 3.01Å; R755-L758 PolarHBondContact O-N 3.44Å; V756-L758 PolarHBondContact O-N 3.35Å; L758-T760 PolarHBondContact O-N 2.98Å; L758-I761 PolarHBondContact O-N 3.39Å; L758-T762 WeakPolarHBondContact O-CG2 3.24Å; L758-T762 PolarHBondContact O-N 2.94Å; L758-T762 PolarHBondContact O-OG1 2.98Å
759L74Confident71.6Confident70 Ų7065.8 Ų65.837%0.36639%0.389SS..Hα-helixtrans-70.1-32.2-177.1-68.6172.1000113R755 V756 T762 S763 V777R755-L759 HydrophobicContact CG-CD1 3.99Å; R755-L759 WeakPolarHBondContact O-CG 3.28Å; R755-L759 PolarHBondContact O-N 3.49Å; V756-L759 PolarHBondContact O-N 3.47Å; L759-T762 WeakPolarHBondContact CA-OG1 3.49Å; L759-T762 PolarHBondContact O-OG1 3.47Å; L759-T762 VanDerWaalsContact O-OG1 3.06Å; L759-S763 WeakPolarHBondContact O-CB 3.39Å; L759-S763 PolarHBondContact O-N 3.14Å; L759-S763 PolarHBondContact O-OG 3.1Å; L759-V777 HydrophobicContact CB-CG2 4.21Å; L759-V777 HydrophobicContact CD1-CG2 3.51Å; L759-V777 HydrophobicContact CG-CG2 4.49Å
760T71.3Confident69.3Low16 Ų1668 Ų6810%0.09841%0.407CS..Hα-helixtrans-67.9-39.3173.646.40000112V756 N757 L758 S763 S764 L773 V816 T817V756-T760 HydrophobicContact CG1-CG2 4.36Å; V756-T760 WeakPolarHBondContact O-CB 3.47Å; V756-T760 VanDerWaalsContact O-CG2 3.26Å; V756-T760 WeakPolarHBondContact O-CG2 3.2Å; V756-T760 PolarHBondContact O-N 2.8Å; V756-T760 PolarHBondContact O-OG1 3.12Å; N757-T760 VanDerWaalsContact C-OG1 3.32Å; N757-T760 VanDerWaalsContact CA-OG1 3.31Å; N757-T760 WeakPolarHBondContact CA-OG1 3.25Å; N757-T760 PolarHBondContact O-OG1 3.38Å; L758-T760 PolarHBondContact O-N 2.98Å; T760-S763 PolarHBondContact O-N 3.36Å; T760-S764 PolarHBondContact O-N 2.97Å; T760-S764 PolarHBondContact O-OG 3.14Å; T760-L773 HydrophobicContact CG2-CD2 3.57Å; T760-V816 WeakPolarHBondContact OG1-CG1 3.5Å; T760-T817 HydrophobicContact CG2-CG2 3.84Å
761I69.7Low67.4Low96 Ų9672.2 Ų72.249%0.49243%0.433SS..Hα-helixtrans-69.3-39.5176.4-65.4165.9000111.6N757 L758 S763 S764 S765N757-I761 VanDerWaalsContact O-CD1 3.28Å; N757-I761 WeakPolarHBondContact O-CD1 2.99Å; N757-I761 WeakPolarHBondContact O-CG1 3.44Å; N757-I761 PolarHBondContact O-N 2.99Å; L758-I761 PolarHBondContact O-N 3.39Å; I761-S763 VanDerWaalsContact C-N 3.33Å; I761-S764 PolarHBondContact O-OG 3.28Å; I761-S765 PolarHBondContact O-N 2.94Å
762T63.2Low65.8Low75 Ų7570.8 Ų70.846%0.4643%0.432SS..Hα-helixtrans-72.3-28.3177.656.50000112.8L758 L759 S765L758-T762 WeakPolarHBondContact O-CG2 3.24Å; L758-T762 PolarHBondContact O-N 2.94Å; L758-T762 PolarHBondContact O-OG1 2.98Å; L759-T762 WeakPolarHBondContact CA-OG1 3.49Å; L759-T762 PolarHBondContact O-OG1 3.47Å; L759-T762 VanDerWaalsContact O-OG1 3.06Å; T762-S765 PolarHBondContact O-OG 2.94Å
763S57.1Low64.8Low60 Ų6071.1 Ų71.142%0.4243%0.434SS..Hα-helixtrans-72.8-34.2176.1-57.20000112L759 T760 I761 N766L759-S763 WeakPolarHBondContact O-CB 3.39Å; L759-S763 PolarHBondContact O-N 3.14Å; L759-S763 PolarHBondContact O-OG 3.1Å; T760-S763 PolarHBondContact O-N 3.36Å; I761-S763 VanDerWaalsContact C-N 3.33Å; S763-N766 VanDerWaalsContact O-O 3.05Å
764S56.8Low64Low90 Ų9074.3 Ų74.363%0.62946%0.456SS*.Hα-helixtrans-75-22.7179.462.30000113.9T760 I761T760-S764 PolarHBondContact O-N 2.97Å; T760-S764 PolarHBondContact O-OG 3.14Å; I761-S764 PolarHBondContact O-OG 3.28Å
765S55.4Low63.3Low92 Ų9274.3 Ų74.364%0.64347%0.466SS*.Hα-helixtrans-78.1-26.6175.463.50000113.2I761 T762 G767I761-S765 PolarHBondContact O-N 2.94Å; T762-S765 PolarHBondContact O-OG 2.94Å; S765-G767 PolarHBondContact O-N 3.37Å
766N50Low62.8Low112 Ų11277.4 Ų77.460%0.59948%0.484SS*.SBendtrans-86.2102.8170.3-73.9-15.9000108.3S763 S768S763-N766 VanDerWaalsContact O-O 3.05Å; N766-S768 PolarHBondContact O-N 3.45Å; N766-S768 PolarHBondContact O-OG 3.45Å
767G50.6Low62.6Low79 Ų7977.8 Ų77.881%0.81449%0.487SS*.  trans-61.726-175.500000117.5S765S765-G767 PolarHBondContact O-N 3.37Å
768S45.9Very low62.5Low87 Ų8780.8 Ų80.861%0.60850%0.5SS*.SBendtrans-68.3130.316251.30000109.6N766 A770N766-S768 PolarHBondContact O-N 3.45Å; N766-S768 PolarHBondContact O-OG 3.45Å; S768-A770 VanDerWaalsContact C-N 3.34Å; S768-A770 PolarHBondContact O-N 2.89Å
769N46.8Very low62.5Low151 Ų15180.5 Ų80.581%0.80750%0.497SS*.  trans-48.491.4175.4-60.8-25000111T771N769-T771 VanDerWaalsContact C-N 3.27Å; N769-T771 PolarHBondContact O-N 3.36Å
770A44.7Very low62.9Low47 Ų4777.4 Ų77.439%0.38848%0.481SS..  trans-75.677.5-176.100000109.5S768 S772 Y820S768-A770 VanDerWaalsContact C-N 3.34Å; S768-A770 PolarHBondContact O-N 2.89Å; A770-S772 VanDerWaalsContact C-N 3.29Å; A770-Y820 PolarHBondContact O-OH 2.92Å
771T50.8Low63.7Low130 Ų13076.7 Ų76.780%0.79848%0.476SS*.  trans-84-2.3177.446.20000113.5N769N769-T771 VanDerWaalsContact C-N 3.27Å; N769-T771 PolarHBondContact O-N 3.36Å
772S56.6Low64.6Low81 Ų8173.3 Ų73.357%0.56646%0.459SS*.SBendtrans-162.4144.4175.354.80000111.4A770A770-S772 VanDerWaalsContact C-N 3.29Å
773L65Low65.7Low19 Ų1971.5 Ų71.510%0.09945%0.45CS..  trans-61.5151.5163.4-72.5163.6000109T760 V777 E778 Y820 T821T760-L773 HydrophobicContact CG2-CD2 3.57Å; L773-V777 HydrophobicContact CD2-CG1 4.08Å; L773-E778 HydrophobicContact CB-CG 3.48Å; L773-E778 VanDerWaalsContact CB-CG 3.48Å; L773-E778 HydrophobicContact CD1-CG 4.16Å; L773-E778 HydrophobicContact CG-CG 4.46Å; L773-Y820 HydrophobicContact CD1-CD2 4.31Å; L773-Y820 HydrophobicContact CD1-CG 4.1Å; L773-Y820 HydrophobicContact CG-CD2 4.24Å; L773-Y820 HydrophobicContact CG-CG 4.1Å; L773-T821 HydrophobicContact CD1-CG2 3.88Å
774S72Confident67.3Low67 Ų6768.7 Ų68.747%0.46943%0.43SS..  trans-61.4144.2172.4670000109.6E776 V777 E778S774-E776 PolarHBondContact O-N 2.87Å; S774-E776 VanDerWaalsContact O-N 3.09Å; S774-V777 PolarHBondContact O-N 2.93Å; S774-V777 WeakPolarHBondContact OG-CG2 2.81Å; S774-E778 PolarHBondContact O-N 3.26Å; S774-E778 VanDerWaalsContact O-N 3.09Å
775S72.4Confident69.1Low87 Ų8764.6 Ų64.661%0.60840%0.401SS*.Hα-helixtrans-52.8-35.9-178.8-177.20000112.1Q779S775-Q779 WeakPolarHBondContact O-CB 3.13Å; S775-Q779 VanDerWaalsContact O-CG 3.24Å; S775-Q779 WeakPolarHBondContact O-CG 3.18Å; S775-Q779 PolarHBondContact O-N 2.77Å
776E72.9Confident70.9Confident162 Ų16261.6 Ų61.676%0.75738%0.378SS*.Hα-helixtrans-63.9-41.1176.7-67.9175.7-169.100113.2S774 Q779 S780S774-E776 PolarHBondContact O-N 2.87Å; S774-E776 VanDerWaalsContact O-N 3.09Å; E776-Q779 PolarHBondContact O-N 3.17Å; E776-S780 WeakPolarHBondContact O-CB 3.41Å; E776-S780 PolarHBondContact O-N 2.99Å
777V78Confident73Confident11 Ų1156.3 Ų56.37%0.06735%0.35CS..Hα-helixtrans-70.7-42-179.9174.50000110.4V756 L759 L773 S774 Q779 S780 L781V756-V777 HydrophobicContact CB-CG1 4.44Å; V756-V777 HydrophobicContact CG1-CG1 4.06Å; V756-V777 HydrophobicContact CG2-CG1 4.15Å; L759-V777 HydrophobicContact CB-CG2 4.21Å; L759-V777 HydrophobicContact CD1-CG2 3.51Å; L759-V777 HydrophobicContact CG-CG2 4.49Å; L773-V777 HydrophobicContact CD2-CG1 4.08Å; S774-V777 PolarHBondContact O-N 2.93Å; S774-V777 WeakPolarHBondContact OG-CG2 2.81Å; V777-Q779 VanDerWaalsContact C-N 3.33Å; V777-Q779 PolarHBondContact O-N 3.36Å; V777-S780 PolarHBondContact O-N 2.89Å; V777-L781 WeakPolarHBondContact O-CB 3.02Å; V777-L781 PolarHBondContact O-N 3.09Å
778E78.9Confident75.1Confident72 Ų7252.6 Ų52.634%0.33631%0.311SS..Hα-helixtrans-61.4-42.3175.3-65.6-169.7166.300111.8L773 S774 L781 L782L773-E778 HydrophobicContact CB-CG 3.48Å; L773-E778 VanDerWaalsContact CB-CG 3.48Å; L773-E778 HydrophobicContact CD1-CG 4.16Å; L773-E778 HydrophobicContact CG-CG 4.46Å; S774-E778 PolarHBondContact O-N 3.26Å; S774-E778 VanDerWaalsContact O-N 3.09Å; E778-L781 PolarHBondContact O-N 2.81Å; E778-L782 VanDerWaalsContact O-CB 3.25Å; E778-L782 WeakPolarHBondContact O-CB 3.31Å; E778-L782 PolarHBondContact O-N 3.35Å
779Q80.3Confident77.5Confident87 Ų8749.3 Ų49.341%0.40729%0.287SS..Hα-helixtrans-66-42.3176.6-70.6-59-23.800112S775 E776 V777 L781 L782 S783S775-Q779 WeakPolarHBondContact O-CB 3.13Å; S775-Q779 VanDerWaalsContact O-CG 3.24Å; S775-Q779 WeakPolarHBondContact O-CG 3.18Å; S775-Q779 PolarHBondContact O-N 2.77Å; E776-Q779 PolarHBondContact O-N 3.17Å; V777-Q779 VanDerWaalsContact C-N 3.33Å; V777-Q779 PolarHBondContact O-N 3.36Å; Q779-L781 VanDerWaalsContact C-N 3.32Å; Q779-L781 PolarHBondContact O-N 2.86Å; Q779-L782 PolarHBondContact O-N 3.34Å; Q779-S783 PolarHBondContact O-N 3.4Å; Q779-S783 PolarHBondContact O-OG 2.89Å
780S82.2Confident79.8Confident5 Ų542.1 Ų42.14%0.03525%0.249CC..Hα-helixtrans-62.5-39.4175.8-173.40000112.6R755 E776 V777 S783 A784R755-S780 PolarHBondContact NH2-OG 2.97Å; E776-S780 WeakPolarHBondContact O-CB 3.41Å; E776-S780 PolarHBondContact O-N 2.99Å; V777-S780 PolarHBondContact O-N 2.89Å; S780-S783 WeakPolarHBondContact CA-OG 3.38Å; S780-S783 PolarHBondContact O-OG 2.88Å; S780-A784 WeakPolarHBondContact O-CB 3.29Å; S780-A784 PolarHBondContact O-N 2.99Å
781L87.6Confident82.3Confident0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-69.6-43.7177.1-179.659.6000110.5L753 V756 V777 E778 Q779 S783 A784 C785 T821 L824 F825L753-L781 HydrophobicContact CD2-CD1 3.75Å; V756-L781 HydrophobicContact CG1-CD1 4.45Å; V756-L781 HydrophobicContact CG1-CD2 4.38Å; V756-L781 HydrophobicContact CG2-CB 4.07Å; V756-L781 HydrophobicContact CG2-CD1 4.44Å; V777-L781 WeakPolarHBondContact O-CB 3.02Å; V777-L781 PolarHBondContact O-N 3.09Å; E778-L781 PolarHBondContact O-N 2.81Å; Q779-L781 VanDerWaalsContact C-N 3.32Å; Q779-L781 PolarHBondContact O-N 2.86Å; L781-S783 VanDerWaalsContact C-N 3.32Å; L781-S783 PolarHBondContact O-N 2.91Å; L781-A784 PolarHBondContact O-N 3.35Å; L781-C785 WeakPolarHBondContact O-CB 3.35Å; L781-C785 PolarHBondContact O-N 3.2Å; L781-C785 PolarHBondContact O-SG 2.66Å; L781-C785 VanDerWaalsContact O-SG 3.37Å; L781-T821 HydrophobicContact CD2-CG2 3.94Å; L781-T821 WeakPolarHBondContact CD2-OG1 3.46Å; L781-L824 HydrophobicContact CD2-CD1 4.21Å; L781-L824 HydrophobicContact CG-CD1 4.13Å; L781-F825 HydrophobicContact CD1-CE1 4.26Å; L781-F825 HydrophobicContact CD1-CE2 4.32Å; L781-F825 HydrophobicContact CD1-CZ 3.69Å; L781-F825 HydrophobicContact CD2-CE2 4.18Å; L781-F825 HydrophobicContact CD2-CZ 4.27Å; L781-F825 HydrophobicContact CG-CZ 4.49Å
782L88.6Confident84.4Confident26 Ų2633.7 Ų33.714%0.13619%0.192CC..Hα-helixtrans-58.2-44.2175.4177.263.4000111.5E778 Q779 N786 L824E778-L782 VanDerWaalsContact O-CB 3.25Å; E778-L782 WeakPolarHBondContact O-CB 3.31Å; E778-L782 PolarHBondContact O-N 3.35Å; Q779-L782 PolarHBondContact O-N 3.34Å; L782-N786 VanDerWaalsContact O-CB 3.31Å; L782-N786 WeakPolarHBondContact O-CB 3.48Å; L782-N786 PolarHBondContact O-N 3.26Å; L782-N786 PolarHBondContact O-ND2 3.01Å; L782-N786 VanDerWaalsContact O-ND2 3.16Å; L782-L824 HydrophobicContact CB-CD1 4.37Å; L782-L824 HydrophobicContact CD1-CD2 3.73Å
783S87.6Confident86.3Confident37 Ų3733 Ų3326%0.25918%0.18SC..Hα-helixtrans-64.9-43.1176.862.40000112S706 Q779 S780 L781 N786 A787S706-S783 WeakPolarHBondContact OG-CA 3.37Å; S706-S783 PolarHBondContact OG-O 2.81Å; Q779-S783 PolarHBondContact O-N 3.4Å; Q779-S783 PolarHBondContact O-OG 2.89Å; S780-S783 WeakPolarHBondContact CA-OG 3.38Å; S780-S783 PolarHBondContact O-OG 2.88Å; L781-S783 VanDerWaalsContact C-N 3.32Å; L781-S783 PolarHBondContact O-N 2.91Å; S783-N786 PolarHBondContact O-N 3.24Å; S783-A787 VanDerWaalsContact O-CB 3.3Å; S783-A787 WeakPolarHBondContact O-CB 3.19Å; S783-A787 PolarHBondContact O-N 3.26Å
784A90.8Very high87.7Confident1 Ų134.2 Ų34.21%0.00818%0.184CC..Hα-helixtrans-63.1-45.2177.600000112I749 D752 L753 S780 L781 A787 T788I749-A784 HydrophobicContact CG2-CB 4.48Å; D752-A784 HydrophobicContact CB-CB 4.16Å; L753-A784 HydrophobicContact CD2-CB 4.33Å; L753-A784 HydrophobicContact CG-CB 4.44Å; S780-A784 WeakPolarHBondContact O-CB 3.29Å; S780-A784 PolarHBondContact O-N 2.99Å; L781-A784 PolarHBondContact O-N 3.35Å; A784-A787 PolarHBondContact O-N 2.7Å; A784-T788 WeakPolarHBondContact O-CB 3.36Å; A784-T788 PolarHBondContact O-N 3.29Å; A784-T788 PolarHBondContact O-OG1 3.43Å
785C93.5Very high88.7Confident3 Ų331.4 Ų31.42%0.0216%0.164CC..Hα-helixtrans-64.1-43.5176.2-70.10000111.9L781 T788 N789 L824 P828L781-C785 WeakPolarHBondContact O-CB 3.35Å; L781-C785 PolarHBondContact O-N 3.2Å; L781-C785 PolarHBondContact O-SG 2.66Å; L781-C785 VanDerWaalsContact O-SG 3.37Å; C785-T788 WeakPolarHBondContact O-CB 3.41Å; C785-T788 PolarHBondContact O-N 2.87Å; C785-N789 PolarHBondContact O-N 3.25Å; C785-L824 HydrophobicContact CB-CB 4.26Å; C785-P828 HydrophobicContact CB-CG 4.23Å; C785-P828 WeakPolarHBondContact O-CG 3.39Å
786N93.6Very high89.6Confident29 Ų2929.3 Ų29.316%0.15515%0.147CC..Hα-helixtrans-63.4-45.5176.7-74.8-25.3000111.9S706 S709 L782 S783 T788 N789 T790S706-N786 WeakPolarHBondContact O-CB 3.29Å; S709-N786 WeakPolarHBondContact CB-O 3.23Å; L782-N786 VanDerWaalsContact O-CB 3.31Å; L782-N786 WeakPolarHBondContact O-CB 3.48Å; L782-N786 PolarHBondContact O-N 3.26Å; L782-N786 PolarHBondContact O-ND2 3.01Å; L782-N786 VanDerWaalsContact O-ND2 3.16Å; S783-N786 PolarHBondContact O-N 3.24Å; N786-T788 VanDerWaalsContact C-N 3.26Å; N786-T788 PolarHBondContact O-N 3.21Å; N786-N789 WeakPolarHBondContact O-CB 3.45Å; N786-N789 PolarHBondContact O-N 3.31Å; N786-T790 PolarHBondContact O-N 3.25Å; N786-T790 VanDerWaalsContact O-N 3.16Å
787A94.5Very high90.5Very high1 Ų124.1 Ų24.11%0.00812%0.124CC..Hα-helixtrans-59.7-41.1176.400000111.1L702 V705 I749 S783 A784 N789 T790 L791L702-A787 HydrophobicContact CD1-CB 4.14Å; V705-A787 HydrophobicContact CG1-CB 4.28Å; V705-A787 WeakPolarHBondContact CG1-O 2.93Å; I749-A787 HydrophobicContact CD1-CB 3.94Å; I749-A787 HydrophobicContact CG1-CB 4.16Å; S783-A787 VanDerWaalsContact O-CB 3.3Å; S783-A787 WeakPolarHBondContact O-CB 3.19Å; S783-A787 PolarHBondContact O-N 3.26Å; A784-A787 PolarHBondContact O-N 2.7Å; A787-N789 PolarHBondContact O-N 3.12Å; A787-T790 PolarHBondContact O-N 2.68Å; A787-L791 VanDerWaalsContact O-CB 3.3Å; A787-L791 WeakPolarHBondContact O-CB 3.49Å; A787-L791 PolarHBondContact O-N 3.33Å
788T94.9Very high91Very high1 Ų129.5 Ų29.51%0.00615%0.152CC..Hα-helixtrans-63-41.2176.5-57.50000112.5I749 A784 C785 N786 T790 L791 F792 M806 M810 P828I749-T788 WeakPolarHBondContact CG2-OG1 3.23Å; A784-T788 WeakPolarHBondContact O-CB 3.36Å; A784-T788 PolarHBondContact O-N 3.29Å; A784-T788 PolarHBondContact O-OG1 3.43Å; C785-T788 WeakPolarHBondContact O-CB 3.41Å; C785-T788 PolarHBondContact O-N 2.87Å; N786-T788 VanDerWaalsContact C-N 3.26Å; N786-T788 PolarHBondContact O-N 3.21Å; T788-T790 PolarHBondContact O-N 3.01Å; T788-L791 WeakPolarHBondContact O-CB 3.26Å; T788-L791 PolarHBondContact O-N 3.17Å; T788-F792 HydrophobicContact CG2-CD2 3.78Å; T788-F792 HydrophobicContact CG2-CE1 4.08Å; T788-F792 HydrophobicContact CG2-CE2 3.24Å; T788-F792 HydrophobicContact CG2-CG 4.4Å; T788-F792 HydrophobicContact CG2-CZ 3.4Å; T788-F792 WeakPolarHBondContact O-CD2 3.41Å; T788-F792 WeakPolarHBondContact O-CG 3.2Å; T788-F792 PolarHBondContact O-N 3.26Å; T788-M806 HydrophobicContact CG2-CE 3.51Å; T788-M810 HydrophobicContact CG2-CE 3.58Å; T788-M810 HydrophobicContact CG2-SD 3.66Å; T788-P828 HydrophobicContact CG2-CB 4.15Å
789N96.4Very high91.6Very high18 Ų1826.4 Ų26.410%0.09614%0.138CC..Hα-helixtrans-58.4-49.3176.9-172.152.9000111.1S709 C785 N786 A787 F792 E793 P828 Q831S709-N789 PolarHBondContact OG-ND2 3.42Å; C785-N789 PolarHBondContact O-N 3.25Å; N786-N789 WeakPolarHBondContact O-CB 3.45Å; N786-N789 PolarHBondContact O-N 3.31Å; A787-N789 PolarHBondContact O-N 3.12Å; N789-F792 PolarHBondContact O-N 3.23Å; N789-E793 PolarHBondContact O-N 3.4Å; N789-P828 HydrophobicContact CB-CB 4.44Å; N789-P828 HydrophobicContact CB-CG 4.18Å; N789-Q831 WeakPolarHBondContact OD1-CB 3.32Å
790T95Very high92.1Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-68.4-36.1177.8-61.80000112.4V705 A708 S709 N786 A787 T788 F792 E793 Y794V705-T790 HydrophobicContact CG1-CG2 3.83Å; V705-T790 VanDerWaalsContact O-CB 3.3Å; V705-T790 WeakPolarHBondContact O-CB 3.38Å; V705-T790 PolarHBondContact O-OG1 3.07Å; A708-T790 HydrophobicContact CB-CG2 3.92Å; S709-T790 WeakPolarHBondContact CA-OG1 3.48Å; S709-T790 WeakPolarHBondContact CB-OG1 3.45Å; S709-T790 PolarHBondContact N-OG1 3.31Å; S709-T790 VanDerWaalsContact N-OG1 3.16Å; N786-T790 PolarHBondContact O-N 3.25Å; N786-T790 VanDerWaalsContact O-N 3.16Å; A787-T790 PolarHBondContact O-N 2.68Å; T788-T790 PolarHBondContact O-N 3.01Å; T790-F792 PolarHBondContact O-N 2.94Å; T790-E793 WeakPolarHBondContact O-CB 3.35Å; T790-E793 PolarHBondContact O-N 3.36Å; T790-Y794 HydrophobicContact CG2-CD2 3.73Å; T790-Y794 HydrophobicContact CG2-CE2 3.78Å; T790-Y794 WeakPolarHBondContact O-CD2 3.41Å; T790-Y794 PolarHBondContact O-N 3.28Å
791L96.6Very high92.5Very high0 Ų027.1 Ų27.10%015%0.15CC..Hα-helixtrans-57.1-49.8173.1178.666.8000110.6I738 L745 V746 I749 A787 T788 E793 Y794 C795 L803 M806I738-L791 HydrophobicContact CG2-CD1 3.54Å; L745-L791 HydrophobicContact CB-CD1 4.45Å; L745-L791 HydrophobicContact CD1-CD1 4.17Å; V746-L791 HydrophobicContact CG2-CD2 3.74Å; I749-L791 HydrophobicContact CD1-CD2 4.07Å; A787-L791 VanDerWaalsContact O-CB 3.3Å; A787-L791 WeakPolarHBondContact O-CB 3.49Å; A787-L791 PolarHBondContact O-N 3.33Å; T788-L791 WeakPolarHBondContact O-CB 3.26Å; T788-L791 PolarHBondContact O-N 3.17Å; L791-E793 VanDerWaalsContact C-N 3.29Å; L791-E793 PolarHBondContact O-N 3.43Å; L791-Y794 PolarHBondContact O-N 3.41Å; L791-C795 VanDerWaalsContact O-CB 3.23Å; L791-C795 WeakPolarHBondContact O-CB 3.48Å; L791-C795 PolarHBondContact O-N 3.16Å; L791-C795 PolarHBondContact O-SG 2.87Å; L791-L803 HydrophobicContact CD2-CD2 3.85Å; L791-L803 HydrophobicContact CG-CD2 4.41Å; L791-M806 HydrophobicContact CD2-CE 4.09Å; L791-M806 HydrophobicContact CD2-SD 4.22Å
792F95.7Very high92.5Very high0 Ų030 Ų300%017%0.167CC..Hα-helixtrans-64.7-31176.9-65-29000113.3T788 N789 T790 Y794 L803 M806 V807 M810 P828 Q831 L832 T835T788-F792 HydrophobicContact CG2-CD2 3.78Å; T788-F792 HydrophobicContact CG2-CE1 4.08Å; T788-F792 HydrophobicContact CG2-CE2 3.24Å; T788-F792 HydrophobicContact CG2-CG 4.4Å; T788-F792 HydrophobicContact CG2-CZ 3.4Å; T788-F792 WeakPolarHBondContact O-CD2 3.41Å; T788-F792 WeakPolarHBondContact O-CG 3.2Å; T788-F792 PolarHBondContact O-N 3.26Å; N789-F792 PolarHBondContact O-N 3.23Å; T790-F792 PolarHBondContact O-N 2.94Å; F792-Y794 VanDerWaalsContact C-N 3.34Å; F792-L803 HydrophobicContact CE1-CD1 4.46Å; F792-L803 HydrophobicContact CE1-CD2 4.1Å; F792-M806 HydrophobicContact CE1-CE 3.87Å; F792-M806 HydrophobicContact CZ-CE 3.83Å; F792-V807 HydrophobicContact CE1-CG2 4.41Å; F792-V807 HydrophobicContact CZ-CG2 3.96Å; F792-M810 HydrophobicContact CE2-CE 4.49Å; F792-M810 HydrophobicContact CE2-SD 4.45Å; F792-M810 HydrophobicContact CZ-SD 4.16Å; F792-P828 HydrophobicContact CD2-CB 4.3Å; F792-P828 VanDerWaalsContact CD2-O 3.28Å; F792-P828 WeakPolarHBondContact CD2-O 3.32Å; F792-P828 HydrophobicContact CE2-CB 4.17Å; F792-Q831 HydrophobicContact CB-CB 4.45Å; F792-Q831 HydrophobicContact CB-CG 3.78Å; F792-L832 HydrophobicContact CD1-CD1 4.01Å; F792-L832 HydrophobicContact CD2-CB 3.76Å; F792-L832 HydrophobicContact CD2-CD1 4.41Å; F792-L832 HydrophobicContact CE1-CD1 3.9Å; F792-L832 HydrophobicContact CE2-CB 3.79Å; F792-L832 HydrophobicContact CE2-CD1 4.29Å; F792-L832 HydrophobicContact CE2-CD2 4.17Å; F792-L832 HydrophobicContact CE2-CG 4.31Å; F792-L832 HydrophobicContact CG-CB 4.3Å; F792-L832 HydrophobicContact CG-CD1 4.27Å; F792-L832 HydrophobicContact CZ-CB 4.37Å; F792-L832 HydrophobicContact CZ-CD1 4.06Å; F792-L832 HydrophobicContact CZ-CD2 4.1Å; F792-L832 HydrophobicContact CZ-CG 4.41Å; F792-T835 WeakPolarHBondContact O-CG2 3.4Å; F792-T835 PolarHBondContact O-OG1 3.19Å
793E95Very high92.7Very high67 Ų6728.9 Ų28.931%0.31316%0.161SC..Hα-helixtrans-62.6-39.7176.6-171.9-179.5172.700112.2R719 N789 T790 L791 Q831R719-E793 IonicContact NH2-OE2 2.85Å; N789-E793 PolarHBondContact O-N 3.4Å; T790-E793 WeakPolarHBondContact O-CB 3.35Å; T790-E793 PolarHBondContact O-N 3.36Å; L791-E793 VanDerWaalsContact C-N 3.29Å; L791-E793 PolarHBondContact O-N 3.43Å; E793-Q831 HydrophobicContact CB-CG 4.46Å
794Y94.2Very high92.8Very high45 Ų4529.8 Ų29.818%0.17616%0.161CC..Hα-helixtrans-106.4-19.8-171.2-70.6-68.2000115.8V734 S735 T790 L791 F792V734-Y794 HydrophobicContact CB-CD1 4.05Å; V734-Y794 HydrophobicContact CB-CE1 4.03Å; V734-Y794 HydrophobicContact CG1-CD1 3.76Å; V734-Y794 HydrophobicContact CG1-CD2 4.03Å; V734-Y794 HydrophobicContact CG1-CE1 3.83Å; V734-Y794 HydrophobicContact CG1-CE2 4.08Å; V734-Y794 HydrophobicContact CG1-CG 3.88Å; S735-Y794 WeakPolarHBondContact CA-O 3.35Å; S735-Y794 VanDerWaalsContact CB-O 3.25Å; S735-Y794 WeakPolarHBondContact CB-O 3.4Å; S735-Y794 PolarHBondContact OG-O 3.11Å; T790-Y794 HydrophobicContact CG2-CD2 3.73Å; T790-Y794 HydrophobicContact CG2-CE2 3.78Å; T790-Y794 WeakPolarHBondContact O-CD2 3.41Å; T790-Y794 PolarHBondContact O-N 3.28Å; L791-Y794 PolarHBondContact O-N 3.41Å; F792-Y794 VanDerWaalsContact C-N 3.34Å
795C93.4Very high92.8Very high7 Ų733.5 Ų33.55%0.04719%0.185CC..  trans-68.3146.7-173.765.10000113.8L791 V799L791-C795 VanDerWaalsContact O-CB 3.23Å; L791-C795 WeakPolarHBondContact O-CB 3.48Å; L791-C795 PolarHBondContact O-N 3.16Å; L791-C795 PolarHBondContact O-SG 2.87Å; C795-V799 HydrophobicContact CB-CG2 4.31Å
796T91.6Very high92.9Very high43 Ų4333.4 Ų33.426%0.26418%0.184SC..  trans-89.5170.3170.267.90000111.6T739 D798 V799 W839T739-T796 HydrophobicContact CG2-CG2 4.47Å; T739-T796 WeakPolarHBondContact CG2-OG1 3.29Å; T739-T796 PolarHBondContact OG1-N 2.84Å; T739-T796 PolarHBondContact OG1-OG1 2.97Å; T796-D798 WeakPolarHBondContact CB-OD2 3.29Å; T796-D798 PolarHBondContact O-N 2.93Å; T796-D798 PolarHBondContact OG1-OD2 3.34Å; T796-V799 PolarHBondContact O-N 3.43Å; T796-W839 VanDerWaalsContact C-CZ2 3.45Å; T796-W839 VanDerWaalsContact O-CZ2 3.26Å; T796-W839 WeakPolarHBondContact O-CZ2 3.33Å
797I91.1Very high92.9Very high54 Ų5432 Ų3228%0.27718%0.177SC..G310 helixtrans-61.6-22.5178.8-165.4172.2000112.8V799 L800 W839 L843I797-V799 PolarHBondContact O-N 2.94Å; I797-L800 HydrophobicContact CG1-CD2 4.48Å; I797-L800 WeakPolarHBondContact O-CB 3.21Å; I797-L800 PolarHBondContact O-N 3.09Å; I797-W839 HydrophobicContact CB-CD2 4.1Å; I797-W839 HydrophobicContact CB-CG 4.07Å; I797-W839 HydrophobicContact CD1-CB 4.23Å; I797-W839 HydrophobicContact CG1-CD2 4.26Å; I797-W839 HydrophobicContact CG1-CE3 4.4Å; I797-W839 HydrophobicContact CG1-CG 4.34Å; I797-L843 HydrophobicContact CD1-CD1 3.62Å; I797-L843 HydrophobicContact CD1-CD2 4.14Å; I797-L843 HydrophobicContact CD1-CG 4.03Å
798D89.3Confident92.8Very high123 Ų12335.3 Ų35.366%0.65820%0.197SC*.G310 helixtrans-63.2-24.7-177.9-47.4-58.1000112.7T796 L800 P801T796-D798 WeakPolarHBondContact CB-OD2 3.29Å; T796-D798 PolarHBondContact O-N 2.93Å; T796-D798 PolarHBondContact OG1-OD2 3.34Å; D798-L800 VanDerWaalsContact C-N 3.32Å; D798-P801 WeakPolarHBondContact O-CD 3.11Å
799V91.3Very high92.5Very high7 Ų737.3 Ų37.34%0.04221%0.205CC..G310 helixtrans-82.5-10.7-179.9-165.80000112.4T739 A742 C795 T796 I797 P801 V802 L803T739-V799 HydrophobicContact CG2-CG2 3.73Å; A742-V799 HydrophobicContact CB-CB 4.27Å; A742-V799 HydrophobicContact CB-CG1 3.26Å; A742-V799 HydrophobicContact CB-CG2 3.89Å; C795-V799 HydrophobicContact CB-CG2 4.31Å; T796-V799 PolarHBondContact O-N 3.43Å; I797-V799 PolarHBondContact O-N 2.94Å; V799-P801 VanDerWaalsContact C-N 3.34Å; V799-P801 VanDerWaalsContact O-N 3.13Å; V799-V802 HydrophobicContact CG1-CB 4.44Å; V799-V802 PolarHBondContact O-N 3.46Å; V799-L803 HydrophobicContact CB-CD1 4.31Å; V799-L803 HydrophobicContact CB-CG 4.36Å; V799-L803 HydrophobicContact CG1-CD1 4.33Å; V799-L803 HydrophobicContact CG1-CD2 4.2Å; V799-L803 HydrophobicContact CG1-CG 3.92Å; V799-L803 PolarHBondContact O-N 2.85Å; V799-L803 VanDerWaalsContact O-N 3.09Å
800L91.3Very high92.4Very high15 Ų1536.5 Ų36.58%0.07920%0.201CC..Hα-helixtrans-48.2-42.7-174.2179.263.3000114.9I797 D798 V802 L803 K804 W839 D940 H941 I944I797-L800 HydrophobicContact CG1-CD2 4.48Å; I797-L800 WeakPolarHBondContact O-CB 3.21Å; I797-L800 PolarHBondContact O-N 3.09Å; D798-L800 VanDerWaalsContact C-N 3.32Å; L800-V802 PolarHBondContact O-N 3.09Å; L800-L803 PolarHBondContact O-N 3.33Å; L800-L803 VanDerWaalsContact O-N 3.16Å; L800-K804 PolarHBondContact O-N 3.35Å; L800-W839 HydrophobicContact CD1-CZ3 4.19Å; L800-D940 HydrophobicContact CD2-CB 3.89Å; L800-D940 HydrophobicContact CG-CB 4.29Å; L800-H941 HydrophobicContact CD1-CB 3.9Å; L800-H941 HydrophobicContact CD2-CB 3.87Å; L800-I944 HydrophobicContact CD1-CD1 3.67Å
801P89.8Confident92.3Very high93 Ų9336.8 Ų36.860%0.60420%0.202SC*.Hα-helixtrans-59.9-33.3178.7-24.135.3000113.6D798 V799 P805D798-P801 WeakPolarHBondContact O-CD 3.11Å; V799-P801 VanDerWaalsContact C-N 3.34Å; V799-P801 VanDerWaalsContact O-N 3.13Å; P801-P805 VanDerWaalsContact O-CD 3.23Å; P801-P805 WeakPolarHBondContact O-CD 3.46Å
802V89.5Confident91.9Very high60 Ų6038.7 Ų38.736%0.36422%0.216SC..Hα-helixtrans-82.7-31.7179.3-168.60000110.6V746 V799 L800 P805V746-V802 HydrophobicContact CB-CG1 3.77Å; V746-V802 HydrophobicContact CG1-CG1 3.67Å; V746-V802 HydrophobicContact CG2-CG1 4.08Å; V799-V802 HydrophobicContact CG1-CB 4.44Å; V799-V802 PolarHBondContact O-N 3.46Å; L800-V802 PolarHBondContact O-N 3.09Å; V802-P805 WeakPolarHBondContact O-CD 3.47Å; V802-P805 WeakPolarHBondContact O-CG 3.34Å
803L91.6Very high91.6Very high2 Ų238.7 Ų38.71%0.0122%0.216CC..Hα-helixtrans-70.8-37.1177.7-65.1177.4000113.2V746 L791 F792 V799 L800 M806 V807 W839V746-L803 HydrophobicContact CG2-CD2 3.77Å; L791-L803 HydrophobicContact CD2-CD2 3.85Å; L791-L803 HydrophobicContact CG-CD2 4.41Å; F792-L803 HydrophobicContact CE1-CD1 4.46Å; F792-L803 HydrophobicContact CE1-CD2 4.1Å; V799-L803 HydrophobicContact CB-CD1 4.31Å; V799-L803 HydrophobicContact CB-CG 4.36Å; V799-L803 HydrophobicContact CG1-CD1 4.33Å; V799-L803 HydrophobicContact CG1-CD2 4.2Å; V799-L803 HydrophobicContact CG1-CG 3.92Å; V799-L803 PolarHBondContact O-N 2.85Å; V799-L803 VanDerWaalsContact O-N 3.09Å; L800-L803 PolarHBondContact O-N 3.33Å; L800-L803 VanDerWaalsContact O-N 3.16Å; L803-M806 HydrophobicContact CD2-CE 4.29Å; L803-M806 WeakPolarHBondContact O-CB 3.46Å; L803-M806 PolarHBondContact O-N 2.74Å; L803-M806 VanDerWaalsContact O-N 3.08Å; L803-V807 WeakPolarHBondContact O-CG2 3.27Å; L803-V807 PolarHBondContact O-N 3.11Å; L803-W839 HydrophobicContact CD1-CH2 3.85Å
804K90.7Very high91.4Very high56 Ų5635.6 Ų35.624%0.24320%0.201CC..Hα-helixtrans-50.4-56.4-177.8-169.5174.6-169.5173.40113L800 M806 V807 T808 D940 I944L800-K804 PolarHBondContact O-N 3.35Å; K804-M806 VanDerWaalsContact C-N 3.3Å; K804-M806 PolarHBondContact O-N 3.35Å; K804-V807 PolarHBondContact O-N 2.71Å; K804-T808 PolarHBondContact O-N 2.84Å; K804-T808 VanDerWaalsContact O-N 3.11Å; K804-T808 PolarHBondContact O-OG1 3.21Å; K804-D940 IonicContact NZ-OD1 3.19Å; K804-D940 PolarHBondContact NZ-OD1 3.21Å; K804-I944 HydrophobicContact CB-CD1 3.96Å; K804-I944 HydrophobicContact CG-CD1 4.06Å; K804-I944 HydrophobicContact CG-CG1 4.15Å
805P90.9Very high91Very high80 Ų8036.5 Ų36.552%0.51921%0.209SC..Hα-helixtrans-64.6-32.317825.3-34.5000113.3P801 V802 T808 K809P801-P805 VanDerWaalsContact O-CD 3.23Å; P801-P805 WeakPolarHBondContact O-CD 3.46Å; V802-P805 WeakPolarHBondContact O-CD 3.47Å; V802-P805 WeakPolarHBondContact O-CG 3.34Å; P805-T808 PolarHBondContact O-N 2.9Å; P805-K809 WeakPolarHBondContact O-CB 3.45Å; P805-K809 PolarHBondContact O-N 3.3Å
806M94Very high90.6Very high0 Ų039.4 Ų39.40%023%0.227CC..Hα-helixtrans-63.9-43.8175.3-169.8-172.787.400111.2V746 I749 T788 L791 F792 L803 K804 K809 M810V746-M806 HydrophobicContact CB-SD 4.16Å; V746-M806 HydrophobicContact CG1-CB 3.69Å; V746-M806 HydrophobicContact CG1-CG 3.99Å; V746-M806 HydrophobicContact CG1-SD 3.72Å; V746-M806 HydrophobicContact CG2-SD 4Å; I749-M806 HydrophobicContact CB-SD 4.15Å; I749-M806 HydrophobicContact CD1-SD 4.46Å; I749-M806 HydrophobicContact CG2-CG 4.41Å; I749-M806 HydrophobicContact CG2-SD 3.8Å; T788-M806 HydrophobicContact CG2-CE 3.51Å; L791-M806 HydrophobicContact CD2-CE 4.09Å; L791-M806 HydrophobicContact CD2-SD 4.22Å; F792-M806 HydrophobicContact CE1-CE 3.87Å; F792-M806 HydrophobicContact CZ-CE 3.83Å; L803-M806 HydrophobicContact CD2-CE 4.29Å; L803-M806 WeakPolarHBondContact O-CB 3.46Å; L803-M806 PolarHBondContact O-N 2.74Å; L803-M806 VanDerWaalsContact O-N 3.08Å; K804-M806 VanDerWaalsContact C-N 3.3Å; K804-M806 PolarHBondContact O-N 3.35Å; M806-K809 CarbonylContact O-C 3.53Å; M806-K809 WeakPolarHBondContact O-CA 3.34Å; M806-K809 WeakPolarHBondContact O-CB 3.46Å; M806-K809 PolarHBondContact O-N 2.93Å; M806-K809 VanDerWaalsContact O-N 3.17Å; M806-M810 HydrophobicContact CE-SD 3.97Å; M806-M810 WeakPolarHBondContact O-CG 3.22Å; M806-M810 PolarHBondContact O-N 3.5Å
807V94.2Very high90.1Very high0 Ų037.4 Ų37.40%021%0.214CC..Hα-helixtrans-65.6-43.6178.4177.60000111.1F792 L803 K804 K809 M810 L811 L832 I944 V948F792-V807 HydrophobicContact CE1-CG2 4.41Å; F792-V807 HydrophobicContact CZ-CG2 3.96Å; L803-V807 WeakPolarHBondContact O-CG2 3.27Å; L803-V807 PolarHBondContact O-N 3.11Å; K804-V807 PolarHBondContact O-N 2.71Å; V807-K809 PolarHBondContact O-N 3.41Å; V807-M810 WeakPolarHBondContact O-CB 3.4Å; V807-M810 PolarHBondContact O-N 3.46Å; V807-M810 VanDerWaalsContact O-N 3.1Å; V807-L811 HydrophobicContact CG1-CD1 4.34Å; V807-L811 WeakPolarHBondContact O-CG 3.38Å; V807-L811 PolarHBondContact O-N 3.44Å; V807-L832 HydrophobicContact CG1-CD2 4.14Å; V807-L832 HydrophobicContact CG2-CD2 3.89Å; V807-I944 HydrophobicContact CB-CG2 4.27Å; V807-I944 HydrophobicContact CG1-CG2 3.79Å; V807-I944 HydrophobicContact CG2-CG2 4.27Å; V807-V948 HydrophobicContact CG1-CG2 3.93Å
808T91.5Very high89.6Confident70 Ų7039.2 Ų39.243%0.42922%0.218SC..Hα-helixtrans-57.8-40.6172.6-51.60000111K804 P805 L811 S812K804-T808 PolarHBondContact O-N 2.84Å; K804-T808 VanDerWaalsContact O-N 3.11Å; K804-T808 PolarHBondContact O-OG1 3.21Å; P805-T808 PolarHBondContact O-N 2.9Å; T808-L811 PolarHBondContact O-N 3.26Å; T808-S812 PolarHBondContact O-N 3.07Å
809K90.5Very high88.8Confident43 Ų4340.7 Ų40.719%0.18722%0.221CC..Hα-helixtrans-65.1-41.7174.9-174.361.5179.9162.30112.1T750 L753 N757 P805 M806 V807 L811 S812 S813T750-K809 HydrophobicContact CG2-CB 4.45Å; T750-K809 HydrophobicContact CG2-CG 4.14Å; L753-K809 HydrophobicContact CB-CG 4.29Å; N757-K809 PolarHBondContact ND2-NZ 3.32Å; P805-K809 WeakPolarHBondContact O-CB 3.45Å; P805-K809 PolarHBondContact O-N 3.3Å; M806-K809 CarbonylContact O-C 3.53Å; M806-K809 WeakPolarHBondContact O-CA 3.34Å; M806-K809 WeakPolarHBondContact O-CB 3.46Å; M806-K809 PolarHBondContact O-N 2.93Å; M806-K809 VanDerWaalsContact O-N 3.17Å; V807-K809 PolarHBondContact O-N 3.41Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 3.36Å; K809-S812 PolarHBondContact O-N 3.42Å; K809-S812 PolarHBondContact O-OG 3.35Å; K809-S813 WeakPolarHBondContact O-CB 3.39Å; K809-S813 PolarHBondContact O-N 2.97Å; K809-S813 PolarHBondContact O-OG 2.85Å
810M93.3Very high87.8Confident1 Ų144.6 Ų44.61%0.00524%0.236CC..Hα-helixtrans-58.9-45.1174-7017377.300111.5L753 T788 F792 M806 V807 S812 S813 L814 F825 P828 F829L753-M810 HydrophobicContact CD1-CB 4.45Å; L753-M810 HydrophobicContact CD1-CG 3.52Å; T788-M810 HydrophobicContact CG2-CE 3.58Å; T788-M810 HydrophobicContact CG2-SD 3.66Å; F792-M810 HydrophobicContact CE2-CE 4.49Å; F792-M810 HydrophobicContact CE2-SD 4.45Å; F792-M810 HydrophobicContact CZ-SD 4.16Å; M806-M810 HydrophobicContact CE-SD 3.97Å; M806-M810 WeakPolarHBondContact O-CG 3.22Å; M806-M810 PolarHBondContact O-N 3.5Å; V807-M810 WeakPolarHBondContact O-CB 3.4Å; V807-M810 PolarHBondContact O-N 3.46Å; V807-M810 VanDerWaalsContact O-N 3.1Å; M810-S812 PolarHBondContact O-N 3.19Å; M810-S813 WeakPolarHBondContact O-CB 3.44Å; M810-S813 PolarHBondContact O-N 3.3Å; M810-L814 PolarHBondContact O-N 3.46Å; M810-F825 HydrophobicContact CB-CD1 4.45Å; M810-F825 HydrophobicContact CE-CD1 4.36Å; M810-P828 HydrophobicContact CE-CB 4Å; M810-F829 HydrophobicContact CB-CE1 4.2Å; M810-F829 HydrophobicContact CB-CZ 4.27Å; M810-F829 HydrophobicContact CE-CD1 4.34Å; M810-F829 HydrophobicContact CE-CE1 3.83Å; M810-F829 HydrophobicContact SD-CE1 4.32Å
811L92.8Very high87.1Confident6 Ų644.4 Ų44.43%0.03124%0.235CC..Hα-helixtrans-60.8-45176.8-69.8170.3000111.3V807 T808 K809 S813 L814 D815 F829 E947 V948 R951V807-L811 HydrophobicContact CG1-CD1 4.34Å; V807-L811 WeakPolarHBondContact O-CG 3.38Å; V807-L811 PolarHBondContact O-N 3.44Å; T808-L811 PolarHBondContact O-N 3.26Å; K809-L811 VanDerWaalsContact C-N 3.34Å; K809-L811 PolarHBondContact O-N 3.36Å; L811-S813 PolarHBondContact O-N 3.26Å; L811-L814 WeakPolarHBondContact O-CB 3.29Å; L811-L814 PolarHBondContact O-N 3.37Å; L811-D815 PolarHBondContact O-N 3.41Å; L811-F829 HydrophobicContact CD2-CE1 4.44Å; L811-F829 HydrophobicContact CD2-CE2 4.02Å; L811-F829 HydrophobicContact CD2-CZ 3.68Å; L811-F829 HydrophobicContact CG-CZ 4.25Å; L811-E947 HydrophobicContact CD1-CB 3.95Å; L811-V948 HydrophobicContact CD1-CG2 4.36Å; L811-V948 HydrophobicContact CD2-CG2 4.32Å; L811-R951 HydrophobicContact CD2-CB 4.02Å; L811-R951 HydrophobicContact CD2-CG 4.19Å
812S89.1Confident86.8Confident40 Ų4040.1 Ų40.128%0.2821%0.207SC..Hα-helixtrans-63-29.5174.476.60000113.1T808 K809 M810 V816T808-S812 PolarHBondContact O-N 3.07Å; K809-S812 PolarHBondContact O-N 3.42Å; K809-S812 PolarHBondContact O-OG 3.35Å; M810-S812 PolarHBondContact O-N 3.19Å; S812-V816 WeakPolarHBondContact O-CG2 3.4Å; S812-V816 PolarHBondContact O-N 3.38Å
813S88.7Confident86.8Confident0 Ų040.4 Ų40.40%021%0.205CC..Hα-helixtrans-78.9-37.3179.7-49.80000111.3N757 K809 M810 L811 D815 V816 T817N757-S813 PolarHBondContact ND2-OG 3.33Å; N757-S813 VanDerWaalsContact ND2-OG 3.1Å; N757-S813 WeakPolarHBondContact OD1-CA 3.43Å; N757-S813 VanDerWaalsContact OD1-CB 3.22Å; N757-S813 WeakPolarHBondContact OD1-CB 3.28Å; N757-S813 PolarHBondContact OD1-OG 3.43Å; K809-S813 WeakPolarHBondContact O-CB 3.39Å; K809-S813 PolarHBondContact O-N 2.97Å; K809-S813 PolarHBondContact O-OG 2.85Å; M810-S813 WeakPolarHBondContact O-CB 3.44Å; M810-S813 PolarHBondContact O-N 3.3Å; L811-S813 PolarHBondContact O-N 3.26Å; S813-D815 VanDerWaalsContact C-N 3.29Å; S813-D815 PolarHBondContact O-N 3.01Å; S813-V816 PolarHBondContact O-N 2.87Å; S813-T817 WeakPolarHBondContact O-CB 3.4Å; S813-T817 WeakPolarHBondContact O-CG2 3.34Å; S813-T817 PolarHBondContact O-N 3.28Å; S813-T817 PolarHBondContact O-OG1 3.39Å
814L90Very high86.7Confident2 Ų242.5 Ų42.51%0.0122%0.216CC..Hα-helixtrans-56.5-45.6168.5177.9100.2000110.6M810 L811 V816 T817 Y818 T822 F825 F829 R951 L955M810-L814 PolarHBondContact O-N 3.46Å; L811-L814 WeakPolarHBondContact O-CB 3.29Å; L811-L814 PolarHBondContact O-N 3.37Å; L814-V816 VanDerWaalsContact C-N 3.35Å; L814-V816 PolarHBondContact O-N 3.27Å; L814-T817 CarbonylContact O-C 3.57Å; L814-T817 PolarHBondContact O-N 2.85Å; L814-Y818 WeakPolarHBondContact O-CA 3.47Å; L814-Y818 PolarHBondContact O-N 2.9Å; L814-T822 HydrophobicContact CD1-CG2 3.92Å; L814-F825 HydrophobicContact CB-CD1 4.37Å; L814-F825 HydrophobicContact CB-CD2 4.18Å; L814-F825 HydrophobicContact CB-CE1 4.5Å; L814-F825 HydrophobicContact CB-CE2 4.3Å; L814-F825 HydrophobicContact CB-CG 4.19Å; L814-F825 HydrophobicContact CB-CZ 4.45Å; L814-F825 HydrophobicContact CD1-CB 3.52Å; L814-F825 HydrophobicContact CD1-CD2 3.54Å; L814-F825 HydrophobicContact CD1-CE2 4.36Å; L814-F825 HydrophobicContact CD1-CG 3.64Å; L814-F825 HydrophobicContact CG-CD2 4.44Å; L814-F829 HydrophobicContact CD1-CE2 4.44Å; L814-R951 HydrophobicContact CD2-CG 3.36Å; L814-L955 HydrophobicContact CD2-CD1 4.47Å
815D87.1Confident86.9Confident65 Ų6539.8 Ų39.835%0.34820%0.204SC..Hα-helixtrans-62-41.8-178.4-66.1-22.8000112.8L811 S813 R951L811-D815 PolarHBondContact O-N 3.41Å; S813-D815 VanDerWaalsContact C-N 3.29Å; S813-D815 PolarHBondContact O-N 3.01Å; D815-R951 WeakPolarHBondContact OD1-CD 3.27Å; D815-R951 IonicContact OD1-CZ 3.11Å; D815-R951 IonicContact OD1-NE 3.7Å; D815-R951 IonicContact OD1-NH1 3Å; D815-R951 PolarHBondContact OD1-NH1 3.24Å; D815-R951 IonicContact OD1-NH2 3.36Å; D815-R951 IonicContact OD2-CZ 2.63Å; D815-R951 IonicContact OD2-NH1 3.2Å; D815-R951 PolarHBondContact OD2-NH1 3.42Å; D815-R951 IonicContact OD2-NH2 3.94Å; D815-R951 PolarHBondContact OD2-NH2 3.47Å
816V83.7Confident87.1Confident68 Ų6836.1 Ų36.141%0.41218%0.18SC..Hα-helixtrans-76-28.8179.8176.90000111.7T760 S812 S813 L814T760-V816 WeakPolarHBondContact OG1-CG1 3.5Å; S812-V816 WeakPolarHBondContact O-CG2 3.4Å; S812-V816 PolarHBondContact O-N 3.38Å; S813-V816 PolarHBondContact O-N 2.87Å; L814-V816 VanDerWaalsContact C-N 3.35Å; L814-V816 PolarHBondContact O-N 3.27Å
817T81.3Confident87.1Confident0 Ų039.4 Ų39.40%020%0.2CC..THydrogen-bonded Turntrans-102.919.4-177.463.60000114V756 T760 S813 L814 E819 Y820 T821 F825V756-T817 HydrophobicContact CG1-CG2 3.94Å; T760-T817 HydrophobicContact CG2-CG2 3.84Å; S813-T817 WeakPolarHBondContact O-CB 3.4Å; S813-T817 WeakPolarHBondContact O-CG2 3.34Å; S813-T817 PolarHBondContact O-N 3.28Å; S813-T817 PolarHBondContact O-OG1 3.39Å; L814-T817 CarbonylContact O-C 3.57Å; L814-T817 PolarHBondContact O-N 2.85Å; T817-E819 PolarHBondContact O-N 3.04Å; T817-E819 VanDerWaalsContact O-N 3.11Å; T817-Y820 PolarHBondContact O-N 3Å; T817-Y820 VanDerWaalsContact O-N 3.1Å; T817-T821 VanDerWaalsContact CB-OG1 3.28Å; T817-T821 WeakPolarHBondContact CB-OG1 3.37Å; T817-T821 PolarHBondContact O-N 3.41Å; T817-T821 PolarHBondContact OG1-OG1 3.13Å; T817-F825 WeakPolarHBondContact OG1-CE2 3.36Å
818Y80.9Confident87.1Confident92 Ų9239.6 Ų39.636%0.36120%0.201SC..THydrogen-bonded Turntrans-51.7-40.2-171.6-175.3-87.3000113.6L814 Y820 T822 L955 D958L814-Y818 WeakPolarHBondContact O-CA 3.47Å; L814-Y818 PolarHBondContact O-N 2.9Å; Y818-Y820 VanDerWaalsContact C-N 3.35Å; Y818-Y820 PolarHBondContact O-N 3.49Å; Y818-T822 VanDerWaalsContact CA-OG1 3.3Å; Y818-T822 WeakPolarHBondContact CA-OG1 3.37Å; Y818-T822 PolarHBondContact O-OG1 3.1Å; Y818-L955 HydrophobicContact CD2-CD2 4.23Å; Y818-L955 HydrophobicContact CE2-CD2 3.41Å; Y818-L955 VanDerWaalsContact CE2-CD2 3.41Å; Y818-D958 PolarHBondContact OH-OD2 2.86Å
819E72.1Confident87.4Confident155 Ų15536.3 Ų36.372%0.72418%0.181SC*.THydrogen-bonded Turntrans-74.7-21-173.9-62.5-176.7156.700113.9T817T817-E819 PolarHBondContact O-N 3.04Å; T817-E819 VanDerWaalsContact O-N 3.11Å
820Y71.4Confident87.8Confident89 Ų8937.7 Ų37.735%0.34919%0.185SC..THydrogen-bonded Turntrans-117.3-45.1-165.7-50.2-78000113.3A770 L773 T817 Y818A770-Y820 PolarHBondContact O-OH 2.92Å; L773-Y820 HydrophobicContact CD1-CD2 4.31Å; L773-Y820 HydrophobicContact CD1-CG 4.1Å; L773-Y820 HydrophobicContact CG-CD2 4.24Å; L773-Y820 HydrophobicContact CG-CG 4.1Å; T817-Y820 PolarHBondContact O-N 3Å; T817-Y820 VanDerWaalsContact O-N 3.1Å; Y818-Y820 VanDerWaalsContact C-N 3.35Å; Y818-Y820 PolarHBondContact O-N 3.49Å
821T76.8Confident87.9Confident10 Ų1038.8 Ų38.86%0.06119%0.191CC..  trans-135.116.2-16047.20000114.9L773 L781 T817 E823 L824L773-T821 HydrophobicContact CD1-CG2 3.88Å; L781-T821 HydrophobicContact CD2-CG2 3.94Å; L781-T821 WeakPolarHBondContact CD2-OG1 3.46Å; T817-T821 VanDerWaalsContact CB-OG1 3.28Å; T817-T821 WeakPolarHBondContact CB-OG1 3.37Å; T817-T821 PolarHBondContact O-N 3.41Å; T817-T821 PolarHBondContact OG1-OG1 3.13Å; T821-E823 PolarHBondContact O-N 3.1Å; T821-L824 HydrophobicContact CG2-CD1 3.97Å; T821-L824 WeakPolarHBondContact O-CB 3.21Å; T821-L824 PolarHBondContact O-N 2.56Å
822T83.6Confident88.1Confident3 Ų338.6 Ų38.62%0.01819%0.19CC..Hα-helixtrans-51.7-33.8179.6-62.20000113.9L814 Y818 L824 F825 L955 L963L814-T822 HydrophobicContact CD1-CG2 3.92Å; Y818-T822 VanDerWaalsContact CA-OG1 3.3Å; Y818-T822 WeakPolarHBondContact CA-OG1 3.37Å; Y818-T822 PolarHBondContact O-OG1 3.1Å; T822-L824 VanDerWaalsContact C-N 3.26Å; T822-L824 PolarHBondContact O-N 3.49Å; T822-F825 PolarHBondContact O-N 2.84Å; T822-L955 HydrophobicContact CG2-CD1 3.86Å; T822-L955 HydrophobicContact CG2-CD2 3.56Å; T822-L955 HydrophobicContact CG2-CG 4.39Å; T822-L963 HydrophobicContact CG2-CD1 3.93Å; T822-L963 HydrophobicContact CG2-CD2 4.03Å
823E88.9Confident88.5Confident67 Ų6736.7 Ų36.731%0.31318%0.177SC..Hα-helixtrans-58.9-36.3178.4-165.8-165.3135.900112.8T821 F825 L826 K962 L963 L966T821-E823 PolarHBondContact O-N 3.1Å; E823-F825 VanDerWaalsContact C-N 3.25Å; E823-F825 PolarHBondContact O-N 3.39Å; E823-L826 PolarHBondContact O-N 3.16Å; E823-K962 HydrophobicContact CG-CD 4.48Å; E823-K962 WeakPolarHBondContact OE1-CE 3.46Å; E823-K962 IonicContact OE1-NZ 3.11Å; E823-K962 PolarHBondContact OE1-NZ 3Å; E823-K962 WeakPolarHBondContact OE2-CD 3.44Å; E823-K962 VanDerWaalsContact OE2-CE 3.23Å; E823-K962 WeakPolarHBondContact OE2-CE 3.29Å; E823-K962 IonicContact OE2-NZ 2.63Å; E823-K962 PolarHBondContact OE2-NZ 2.93Å; E823-L963 HydrophobicContact CB-CD2 3.86Å; E823-L963 HydrophobicContact CG-CD2 4.38Å; E823-L966 HydrophobicContact CG-CD1 3.63Å
824L90.1Very high88.9Confident45 Ų4539.3 Ų39.324%0.23619%0.189CC..Hα-helixtrans-64.9-29.1-173-61.5-177.7000112.8L781 L782 C785 T821 T822 P828L781-L824 HydrophobicContact CD2-CD1 4.21Å; L781-L824 HydrophobicContact CG-CD1 4.13Å; L782-L824 HydrophobicContact CB-CD1 4.37Å; L782-L824 HydrophobicContact CD1-CD2 3.73Å; C785-L824 HydrophobicContact CB-CB 4.26Å; T821-L824 HydrophobicContact CG2-CD1 3.97Å; T821-L824 WeakPolarHBondContact O-CB 3.21Å; T821-L824 PolarHBondContact O-N 2.56Å; T822-L824 VanDerWaalsContact C-N 3.26Å; T822-L824 PolarHBondContact O-N 3.49Å; L824-P828 WeakPolarHBondContact O-CD 3.44Å
825F94.1Very high89.1Confident0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-82.7-25.2-178-64.6-89.1000113.3L753 L781 M810 L814 T817 T822 E823 T827 P828 F829L753-F825 HydrophobicContact CD2-CE1 4.25Å; L781-F825 HydrophobicContact CD1-CE1 4.26Å; L781-F825 HydrophobicContact CD1-CE2 4.32Å; L781-F825 HydrophobicContact CD1-CZ 3.69Å; L781-F825 HydrophobicContact CD2-CE2 4.18Å; L781-F825 HydrophobicContact CD2-CZ 4.27Å; L781-F825 HydrophobicContact CG-CZ 4.49Å; M810-F825 HydrophobicContact CB-CD1 4.45Å; M810-F825 HydrophobicContact CE-CD1 4.36Å; L814-F825 HydrophobicContact CB-CD1 4.37Å; L814-F825 HydrophobicContact CB-CD2 4.18Å; L814-F825 HydrophobicContact CB-CE1 4.5Å; L814-F825 HydrophobicContact CB-CE2 4.3Å; L814-F825 HydrophobicContact CB-CG 4.19Å; L814-F825 HydrophobicContact CB-CZ 4.45Å; L814-F825 HydrophobicContact CD1-CB 3.52Å; L814-F825 HydrophobicContact CD1-CD2 3.54Å; L814-F825 HydrophobicContact CD1-CE2 4.36Å; L814-F825 HydrophobicContact CD1-CG 3.64Å; L814-F825 HydrophobicContact CG-CD2 4.44Å; T817-F825 WeakPolarHBondContact OG1-CE2 3.36Å; T822-F825 PolarHBondContact O-N 2.84Å; E823-F825 VanDerWaalsContact C-N 3.25Å; E823-F825 PolarHBondContact O-N 3.39Å; F825-T827 PolarHBondContact O-N 2.95Å; F825-P828 WeakPolarHBondContact O-CD 3.36Å; F825-F829 HydrophobicContact CB-CD2 4.25Å; F825-F829 HydrophobicContact CB-CE2 3.82Å; F825-F829 HydrophobicContact CB-CZ 4.22Å; F825-F829 WeakPolarHBondContact O-CB 3.39Å; F825-F829 VanDerWaalsContact O-CD2 3.29Å; F825-F829 WeakPolarHBondContact O-CD2 3.46Å; F825-F829 VanDerWaalsContact O-CG 3.22Å; F825-F829 WeakPolarHBondContact O-CG 3.16Å; F825-F829 PolarHBondContact O-N 3.27Å
826L94.9Very high89.5Confident2 Ų236.3 Ų36.31%0.0117%0.173CC..Hα-helixtrans-70.3-32.6-173-66.6175.1000112.8E823 F829 Y830 L955 L963 L966 V970E823-L826 PolarHBondContact O-N 3.16Å; L826-F829 HydrophobicContact CD2-CD2 4.46Å; L826-F829 PolarHBondContact O-N 3.45Å; L826-Y830 WeakPolarHBondContact O-CB 3.29Å; L826-Y830 PolarHBondContact O-N 3.47Å; L826-L955 HydrophobicContact CD2-CD1 3.87Å; L826-L963 HydrophobicContact CD1-CD2 3.89Å; L826-L966 HydrophobicContact CB-CB 3.95Å; L826-L966 HydrophobicContact CB-CD1 4.33Å; L826-L966 HydrophobicContact CD1-CB 3.4Å; L826-L966 VanDerWaalsContact CD1-CB 3.4Å; L826-L966 HydrophobicContact CD1-CD1 4.06Å; L826-L966 HydrophobicContact CD1-CG 4.4Å; L826-L966 HydrophobicContact CG-CB 4.26Å; L826-V970 HydrophobicContact CD2-CG2 4.38Å
827T93.5Very high90.1Very high70 Ų7037 Ų3743%0.42917%0.168SC..Hα-helixtrans-66.2-52.2175.5-58.40000111.8F825 F829 Y830 Q831F825-T827 PolarHBondContact O-N 2.95Å; T827-F829 VanDerWaalsContact C-N 3.3Å; T827-F829 PolarHBondContact O-N 3.23Å; T827-Y830 WeakPolarHBondContact O-CB 3.25Å; T827-Y830 PolarHBondContact O-N 3.48Å; T827-Q831 PolarHBondContact O-N 2.98Å
828P96.1Very high90.6Very high3 Ų342.2 Ų42.22%0.01919%0.191CC..Hα-helixtrans-55.7-40.2171-24.329.8000113.8C785 T788 N789 F792 M810 L824 F825 Q831 L832C785-P828 HydrophobicContact CB-CG 4.23Å; C785-P828 WeakPolarHBondContact O-CG 3.39Å; T788-P828 HydrophobicContact CG2-CB 4.15Å; N789-P828 HydrophobicContact CB-CB 4.44Å; N789-P828 HydrophobicContact CB-CG 4.18Å; F792-P828 HydrophobicContact CD2-CB 4.3Å; F792-P828 VanDerWaalsContact CD2-O 3.28Å; F792-P828 WeakPolarHBondContact CD2-O 3.32Å; F792-P828 HydrophobicContact CE2-CB 4.17Å; M810-P828 HydrophobicContact CE-CB 4Å; L824-P828 WeakPolarHBondContact O-CD 3.44Å; F825-P828 WeakPolarHBondContact O-CD 3.36Å; P828-Q831 PolarHBondContact O-N 3.08Å; P828-L832 WeakPolarHBondContact O-CB 3.33Å; P828-L832 PolarHBondContact O-N 2.95Å
829F97.5Very high91.2Very high1 Ų138.6 Ų38.60%0.00418%0.176CC..Hα-helixtrans-65.8-39.8177.4-69.5-24.3000112.6M810 L811 L814 F825 L826 T827 Q831 L832 M833 V948 V970M810-F829 HydrophobicContact CB-CE1 4.2Å; M810-F829 HydrophobicContact CB-CZ 4.27Å; M810-F829 HydrophobicContact CE-CD1 4.34Å; M810-F829 HydrophobicContact CE-CE1 3.83Å; M810-F829 HydrophobicContact SD-CE1 4.32Å; L811-F829 HydrophobicContact CD2-CE1 4.44Å; L811-F829 HydrophobicContact CD2-CE2 4.02Å; L811-F829 HydrophobicContact CD2-CZ 3.68Å; L811-F829 HydrophobicContact CG-CZ 4.25Å; L814-F829 HydrophobicContact CD1-CE2 4.44Å; F825-F829 HydrophobicContact CB-CD2 4.25Å; F825-F829 HydrophobicContact CB-CE2 3.82Å; F825-F829 HydrophobicContact CB-CZ 4.22Å; F825-F829 WeakPolarHBondContact O-CB 3.39Å; F825-F829 VanDerWaalsContact O-CD2 3.29Å; F825-F829 WeakPolarHBondContact O-CD2 3.46Å; F825-F829 VanDerWaalsContact O-CG 3.22Å; F825-F829 WeakPolarHBondContact O-CG 3.16Å; F825-F829 PolarHBondContact O-N 3.27Å; L826-F829 HydrophobicContact CD2-CD2 4.46Å; L826-F829 PolarHBondContact O-N 3.45Å; T827-F829 VanDerWaalsContact C-N 3.3Å; T827-F829 PolarHBondContact O-N 3.23Å; F829-Q831 VanDerWaalsContact C-N 3.32Å; F829-Q831 PolarHBondContact O-N 3.31Å; F829-L832 WeakPolarHBondContact O-CB 3.49Å; F829-L832 PolarHBondContact O-N 3.33Å; F829-M833 WeakPolarHBondContact O-CG 3.34Å; F829-M833 PolarHBondContact O-N 3.38Å; F829-V948 HydrophobicContact CB-CG1 3.79Å; F829-V948 HydrophobicContact CD1-CG1 4.07Å; F829-V948 HydrophobicContact CD1-CG2 4.24Å; F829-V948 HydrophobicContact CD2-CG1 3.93Å; F829-V948 HydrophobicContact CE1-CG2 4.35Å; F829-V948 HydrophobicContact CG-CG1 3.67Å; F829-V970 HydrophobicContact CB-CG1 4.22Å; F829-V970 HydrophobicContact CB-CG2 4.27Å
830Y97.1Very high92.1Very high72 Ų7232.2 Ų32.228%0.28215%0.147SC..Hα-helixtrans-59.2-45.9172.8-178.9-95.6000111.1L826 T827 L832 M833 Q834 N969 E973L826-Y830 WeakPolarHBondContact O-CB 3.29Å; L826-Y830 PolarHBondContact O-N 3.47Å; T827-Y830 WeakPolarHBondContact O-CB 3.25Å; T827-Y830 PolarHBondContact O-N 3.48Å; Y830-L832 PolarHBondContact O-N 3.41Å; Y830-M833 PolarHBondContact O-N 3.03Å; Y830-Q834 HydrophobicContact CE1-CG 4.16Å; Y830-Q834 PolarHBondContact O-N 3.45Å; Y830-Q834 PolarHBondContact OH-NE2 3.03Å; Y830-Q834 VanDerWaalsContact OH-NE2 3.09Å; Y830-N969 HydrophobicContact CD2-CB 4.09Å; Y830-N969 HydrophobicContact CE2-CB 4.16Å; Y830-E973 HydrophobicContact CD2-CG 3.81Å; Y830-E973 HydrophobicContact CE2-CB 4.31Å; Y830-E973 HydrophobicContact CE2-CG 3.15Å; Y830-E973 PolarHBondContact OH-OE1 3.43Å
831Q96.9Very high92.9Very high24 Ų2432.6 Ų32.611%0.11215%0.152CC..Hα-helixtrans-61.5-42.2175.7-176.458.739.200112.1N789 F792 E793 T827 P828 F829 M833 Q834 T835N789-Q831 WeakPolarHBondContact OD1-CB 3.32Å; F792-Q831 HydrophobicContact CB-CB 4.45Å; F792-Q831 HydrophobicContact CB-CG 3.78Å; E793-Q831 HydrophobicContact CB-CG 4.46Å; T827-Q831 PolarHBondContact O-N 2.98Å; P828-Q831 PolarHBondContact O-N 3.08Å; F829-Q831 VanDerWaalsContact C-N 3.32Å; F829-Q831 PolarHBondContact O-N 3.31Å; Q831-M833 VanDerWaalsContact C-N 3.34Å; Q831-M833 PolarHBondContact O-N 2.88Å; Q831-Q834 WeakPolarHBondContact O-CB 3.48Å; Q831-Q834 PolarHBondContact O-N 3.43Å; Q831-T835 PolarHBondContact NE2-OG1 2.95Å; Q831-T835 PolarHBondContact O-N 3.39Å; Q831-T835 PolarHBondContact O-OG1 3.37Å
832L96.9Very high93.3Very high3 Ų336.9 Ų36.92%0.01617%0.174CC..Hα-helixtrans-58.3-44.8175.2-179.260.3000111.5F792 V807 P828 F829 Y830 Q834 T835 C836 I944 V948F792-L832 HydrophobicContact CD1-CD1 4.01Å; F792-L832 HydrophobicContact CD2-CB 3.76Å; F792-L832 HydrophobicContact CD2-CD1 4.41Å; F792-L832 HydrophobicContact CE1-CD1 3.9Å; F792-L832 HydrophobicContact CE2-CB 3.79Å; F792-L832 HydrophobicContact CE2-CD1 4.29Å; F792-L832 HydrophobicContact CE2-CD2 4.17Å; F792-L832 HydrophobicContact CE2-CG 4.31Å; F792-L832 HydrophobicContact CG-CB 4.3Å; F792-L832 HydrophobicContact CG-CD1 4.27Å; F792-L832 HydrophobicContact CZ-CB 4.37Å; F792-L832 HydrophobicContact CZ-CD1 4.06Å; F792-L832 HydrophobicContact CZ-CD2 4.1Å; F792-L832 HydrophobicContact CZ-CG 4.41Å; V807-L832 HydrophobicContact CG1-CD2 4.14Å; V807-L832 HydrophobicContact CG2-CD2 3.89Å; P828-L832 WeakPolarHBondContact O-CB 3.33Å; P828-L832 PolarHBondContact O-N 2.95Å; F829-L832 WeakPolarHBondContact O-CB 3.49Å; F829-L832 PolarHBondContact O-N 3.33Å; Y830-L832 PolarHBondContact O-N 3.41Å; L832-Q834 VanDerWaalsContact C-N 3.31Å; L832-Q834 PolarHBondContact O-N 3.46Å; L832-T835 PolarHBondContact O-N 2.85Å; L832-C836 WeakPolarHBondContact O-CB 3.47Å; L832-C836 PolarHBondContact O-N 3.28Å; L832-C836 PolarHBondContact O-SG 3.23Å; L832-I944 HydrophobicContact CD2-CG2 3.8Å; L832-V948 HydrophobicContact CD2-CG2 4.32Å
833M97.1Very high93.4Very high0 Ų040 Ų400%019%0.19CC..Hα-helixtrans-59.2-44.2177.1-62.3-53.1103.100111.4F829 Y830 Q831 R837 V945 V948 V970 E973 T977F829-M833 WeakPolarHBondContact O-CG 3.34Å; F829-M833 PolarHBondContact O-N 3.38Å; Y830-M833 PolarHBondContact O-N 3.03Å; Q831-M833 VanDerWaalsContact C-N 3.34Å; Q831-M833 PolarHBondContact O-N 2.88Å; M833-R837 WeakPolarHBondContact O-CB 3.3Å; M833-R837 PolarHBondContact O-N 2.66Å; M833-V945 HydrophobicContact CE-CG2 4.2Å; M833-V945 HydrophobicContact SD-CB 4.19Å; M833-V945 HydrophobicContact SD-CG1 3.8Å; M833-V945 HydrophobicContact SD-CG2 3.93Å; M833-V948 HydrophobicContact CE-CB 3.8Å; M833-V948 HydrophobicContact CE-CG1 3.73Å; M833-V948 HydrophobicContact CE-CG2 4.16Å; M833-V970 HydrophobicContact CG-CG1 3.87Å; M833-V970 HydrophobicContact SD-CG1 4.49Å; M833-E973 HydrophobicContact CB-CB 3.64Å; M833-E973 HydrophobicContact CG-CB 4.31Å; M833-T977 PolarHBondContact O-OG1 3.11Å; M833-T977 VanDerWaalsContact O-OG1 3.12Å
834Q96.7Very high92.9Very high55 Ų5539.5 Ų39.526%0.25719%0.192SC..Hα-helixtrans-63.4-41.1176.9-67.8-171.8-24.400112.1Y830 Q831 L832 R837 K838 E973Y830-Q834 HydrophobicContact CE1-CG 4.16Å; Y830-Q834 PolarHBondContact O-N 3.45Å; Y830-Q834 PolarHBondContact OH-NE2 3.03Å; Y830-Q834 VanDerWaalsContact OH-NE2 3.09Å; Q831-Q834 WeakPolarHBondContact O-CB 3.48Å; Q831-Q834 PolarHBondContact O-N 3.43Å; L832-Q834 VanDerWaalsContact C-N 3.31Å; L832-Q834 PolarHBondContact O-N 3.46Å; Q834-R837 WeakPolarHBondContact O-CB 3.49Å; Q834-R837 PolarHBondContact O-N 2.9Å; Q834-K838 WeakPolarHBondContact O-CG 3.34Å; Q834-K838 PolarHBondContact O-N 3.1Å; Q834-E973 HydrophobicContact CG-CG 4.41Å
835T95.4Very high92.2Very high4 Ų446.1 Ų46.13%0.02521%0.214CC..Hα-helixtrans-67.3-46.5178.4-63.90000111.4F792 Q831 L832 R837 K838 W839F792-T835 WeakPolarHBondContact O-CG2 3.4Å; F792-T835 PolarHBondContact O-OG1 3.19Å; Q831-T835 PolarHBondContact NE2-OG1 2.95Å; Q831-T835 PolarHBondContact O-N 3.39Å; Q831-T835 PolarHBondContact O-OG1 3.37Å; L832-T835 PolarHBondContact O-N 2.85Å; T835-R837 PolarHBondContact O-N 3.38Å; T835-K838 WeakPolarHBondContact O-CB 3.33Å; T835-K838 PolarHBondContact O-N 3.14Å; T835-K838 VanDerWaalsContact O-N 3.15Å; T835-W839 HydrophobicContact CG2-CD2 3.99Å; T835-W839 VanDerWaalsContact CG2-CE2 3.44Å; T835-W839 HydrophobicContact CG2-CE3 4.37Å; T835-W839 HydrophobicContact CG2-CH2 3.81Å; T835-W839 HydrophobicContact CG2-CZ2 3.38Å; T835-W839 HydrophobicContact CG2-CZ3 4.27Å; T835-W839 PolarHBondContact O-N 2.98Å
836C95.5Very high90.7Very high0 Ų051 Ų510%024%0.24CC..Hα-helixtrans-58.1-38.2173.6-68.60000111.9L832 W839 N840 V945 T977L832-C836 WeakPolarHBondContact O-CB 3.47Å; L832-C836 PolarHBondContact O-N 3.28Å; L832-C836 PolarHBondContact O-SG 3.23Å; C836-W839 PolarHBondContact O-N 3.27Å; C836-N840 WeakPolarHBondContact O-CB 3.31Å; C836-N840 PolarHBondContact O-N 3.39Å; C836-V945 HydrophobicContact CB-CG2 3.76Å; C836-T977 HydrophobicContact CB-CG2 3.98Å
837R94.5Very high88.9Confident81 Ų8156.1 Ų56.131%0.30627%0.267SS..Hα-helixtrans-63.9-47.1174.7-173.5175.2163.2-167-4.7112.4M833 Q834 T835 W839 N840 E841 E973 T977M833-R837 WeakPolarHBondContact O-CB 3.3Å; M833-R837 PolarHBondContact O-N 2.66Å; Q834-R837 WeakPolarHBondContact O-CB 3.49Å; Q834-R837 PolarHBondContact O-N 2.9Å; T835-R837 PolarHBondContact O-N 3.38Å; R837-W839 VanDerWaalsContact C-N 3.28Å; R837-W839 PolarHBondContact O-N 3.43Å; R837-N840 PolarHBondContact O-N 3.38Å; R837-E841 HydrophobicContact CG-CG 4.46Å; R837-E841 IonicContact CZ-OE1 4Å; R837-E841 IonicContact NE-OE1 3.97Å; R837-E841 PolarHBondContact NE-OE1 2.74Å; R837-E841 IonicContact NH2-OE1 3.57Å; R837-E841 PolarHBondContact NH2-OE1 3.26Å; R837-E841 VanDerWaalsContact NH2-OE1 3.12Å; R837-E841 WeakPolarHBondContact O-CG 3.11Å; R837-E841 PolarHBondContact O-N 3.36Å; R837-E973 IonicContact NH1-OE2 3.35Å; R837-T977 HydrophobicContact CB-CG2 4.18Å
838K93.2Very high87Confident111 Ų11160.6 Ų60.648%0.48328%0.281SS..Hα-helixtrans-57.7-42.8175.9-71.6172.3-176.3176.10111Q834 T835 E841 L842Q834-K838 WeakPolarHBondContact O-CG 3.34Å; Q834-K838 PolarHBondContact O-N 3.1Å; T835-K838 WeakPolarHBondContact O-CB 3.33Å; T835-K838 PolarHBondContact O-N 3.14Å; T835-K838 VanDerWaalsContact O-N 3.15Å; K838-E841 PolarHBondContact O-N 2.89Å; K838-L842 VanDerWaalsContact O-CG 3.28Å; K838-L842 WeakPolarHBondContact O-CG 3.48Å; K838-L842 PolarHBondContact O-N 3.47Å
839W93.1Very high84.5Confident15 Ų1565.1 Ų65.16%0.05731%0.312CS..Hα-helixtrans-63.5-44176.1-65.4-19.4000112.4T796 I797 L800 L803 T835 C836 R837 L842 L843 H941T796-W839 VanDerWaalsContact C-CZ2 3.45Å; T796-W839 VanDerWaalsContact O-CZ2 3.26Å; T796-W839 WeakPolarHBondContact O-CZ2 3.33Å; I797-W839 HydrophobicContact CB-CD2 4.1Å; I797-W839 HydrophobicContact CB-CG 4.07Å; I797-W839 HydrophobicContact CD1-CB 4.23Å; I797-W839 HydrophobicContact CG1-CD2 4.26Å; I797-W839 HydrophobicContact CG1-CE3 4.4Å; I797-W839 HydrophobicContact CG1-CG 4.34Å; L800-W839 HydrophobicContact CD1-CZ3 4.19Å; L803-W839 HydrophobicContact CD1-CH2 3.85Å; T835-W839 HydrophobicContact CG2-CD2 3.99Å; T835-W839 VanDerWaalsContact CG2-CE2 3.44Å; T835-W839 HydrophobicContact CG2-CE3 4.37Å; T835-W839 HydrophobicContact CG2-CH2 3.81Å; T835-W839 HydrophobicContact CG2-CZ2 3.38Å; T835-W839 HydrophobicContact CG2-CZ3 4.27Å; T835-W839 PolarHBondContact O-N 2.98Å; C836-W839 PolarHBondContact O-N 3.27Å; R837-W839 VanDerWaalsContact C-N 3.28Å; R837-W839 PolarHBondContact O-N 3.43Å; W839-L842 PolarHBondContact O-N 2.98Å; W839-L843 WeakPolarHBondContact O-CG 3.4Å; W839-L843 PolarHBondContact O-N 3.24Å; W839-H941 HydrophobicContact CE3-CB 4.25Å
840N90.3Very high81.8Confident21 Ų2168.4 Ų68.411%0.11234%0.335CS..Hα-helixtrans-64-42.1177.5-164.932.9000111.9C836 R837 L842 L843 T844 T977C836-N840 WeakPolarHBondContact O-CB 3.31Å; C836-N840 PolarHBondContact O-N 3.39Å; R837-N840 PolarHBondContact O-N 3.38Å; N840-L842 VanDerWaalsContact C-N 3.31Å; N840-L842 PolarHBondContact O-N 3Å; N840-L843 PolarHBondContact O-N 3.35Å; N840-T844 WeakPolarHBondContact O-CB 3.39Å; N840-T844 VanDerWaalsContact O-CG2 3.31Å; N840-T844 WeakPolarHBondContact O-CG2 3.48Å; N840-T844 PolarHBondContact O-N 2.8Å; N840-T844 PolarHBondContact O-OG1 3.49Å; N840-T977 PolarHBondContact ND2-O 3.41Å
841E88.9Confident79.1Confident97 Ų9771.8 Ų71.845%0.45336%0.357SS..Hα-helixtrans-62.3-36.5174.5-72.4177.5-175.400112R837 K838 T844 R845R837-E841 HydrophobicContact CG-CG 4.46Å; R837-E841 IonicContact CZ-OE1 4Å; R837-E841 IonicContact NE-OE1 3.97Å; R837-E841 PolarHBondContact NE-OE1 2.74Å; R837-E841 IonicContact NH2-OE1 3.57Å; R837-E841 PolarHBondContact NH2-OE1 3.26Å; R837-E841 VanDerWaalsContact NH2-OE1 3.12Å; R837-E841 WeakPolarHBondContact O-CG 3.11Å; R837-E841 PolarHBondContact O-N 3.36Å; K838-E841 PolarHBondContact O-N 2.89Å; E841-T844 WeakPolarHBondContact CA-OG1 3.38Å; E841-T844 PolarHBondContact O-OG1 2.8Å; E841-T844 VanDerWaalsContact O-OG1 3.12Å; E841-R845 VanDerWaalsContact O-CB 3.26Å; E841-R845 WeakPolarHBondContact O-CB 3.37Å; E841-R845 PolarHBondContact O-N 3.02Å; E841-R845 VanDerWaalsContact O-N 3.12Å
842L85.9Confident76.3Confident101 Ų10179.5 Ų79.553%0.52939%0.394SS..Hα-helixtrans-70.1-45.4175.7-73.6171.1000112.7K838 W839 N840 R845 N846K838-L842 VanDerWaalsContact O-CG 3.28Å; K838-L842 WeakPolarHBondContact O-CG 3.48Å; K838-L842 PolarHBondContact O-N 3.47Å; W839-L842 PolarHBondContact O-N 2.98Å; N840-L842 VanDerWaalsContact C-N 3.31Å; N840-L842 PolarHBondContact O-N 3Å; L842-R845 PolarHBondContact O-N 2.9Å; L842-N846 PolarHBondContact O-N 3.43Å
843L85Confident73Confident68 Ų6883 Ų8336%0.35642%0.423SS..Hα-helixtrans-62.3-45178.2-72.3173.5000111.6I797 W839 N840 R845 N846 N847I797-L843 HydrophobicContact CD1-CD1 3.62Å; I797-L843 HydrophobicContact CD1-CD2 4.14Å; I797-L843 HydrophobicContact CD1-CG 4.03Å; W839-L843 WeakPolarHBondContact O-CG 3.4Å; W839-L843 PolarHBondContact O-N 3.24Å; N840-L843 PolarHBondContact O-N 3.35Å; L843-R845 PolarHBondContact O-N 3.33Å; L843-N846 PolarHBondContact O-N 2.97Å; L843-N847 PolarHBondContact O-N 3.46Å; L843-N847 VanDerWaalsContact O-N 3.17Å
844T77.9Confident69.8Low57 Ų5788.9 Ų88.935%0.3546%0.459SS..Hα-helixtrans-68-32.9178.753.60000112.8N840 E841 K848N840-T844 WeakPolarHBondContact O-CB 3.39Å; N840-T844 VanDerWaalsContact O-CG2 3.31Å; N840-T844 WeakPolarHBondContact O-CG2 3.48Å; N840-T844 PolarHBondContact O-N 2.8Å; N840-T844 PolarHBondContact O-OG1 3.49Å; E841-T844 WeakPolarHBondContact CA-OG1 3.38Å; E841-T844 PolarHBondContact O-OG1 2.8Å; E841-T844 VanDerWaalsContact O-OG1 3.12Å; T844-K848 WeakPolarHBondContact O-CG 2.97Å; T844-K848 PolarHBondContact O-N 3.36Å
845R74.8Confident66.7Low183 Ų18393.6 Ų93.669%0.69149%0.486SS*.Hα-helixtrans-70.9-38.2175.7-169.2174.8-175.4170.90.4112.3E841 L842 L843 K848 C849E841-R845 VanDerWaalsContact O-CB 3.26Å; E841-R845 WeakPolarHBondContact O-CB 3.37Å; E841-R845 PolarHBondContact O-N 3.02Å; E841-R845 VanDerWaalsContact O-N 3.12Å; L842-R845 PolarHBondContact O-N 2.9Å; L843-R845 PolarHBondContact O-N 3.33Å; R845-K848 PolarHBondContact O-N 2.98Å; R845-C849 PolarHBondContact O-N 3.39Å
846N62.9Low63.4Low104 Ų104100.6 Ų100.656%0.55653%0.529SS*.Hα-helixtrans-65.5-41.9177.2-73.5-9.9000111.6L842 L843 K848 C849 S850L842-N846 PolarHBondContact O-N 3.43Å; L843-N846 PolarHBondContact O-N 2.97Å; N846-K848 VanDerWaalsContact C-N 3.29Å; N846-K848 PolarHBondContact O-N 2.95Å; N846-C849 PolarHBondContact O-N 3.38Å; N846-S850 PolarHBondContact O-N 3.42Å; N846-S850 PolarHBondContact O-OG 3.05Å
847N58.4Low60.1Low108 Ų108105.5 Ų105.558%0.57856%0.563SS**Hα-helixtrans-62.7-34.2176.2-70.7-8000112.7L843 S850L843-N847 PolarHBondContact O-N 3.46Å; L843-N847 VanDerWaalsContact O-N 3.17Å; N847-S850 WeakPolarHBondContact CA-OG 3.4Å; N847-S850 PolarHBondContact O-OG 2.87Å
848K52Low56.9Low165 Ų165107.3 Ų107.372%0.71759%0.586SS**Hα-helixtrans-72.5-27.1176.6-73178.7-178.7177.60113.9T844 R845 N846T844-K848 WeakPolarHBondContact O-CG 2.97Å; T844-K848 PolarHBondContact O-N 3.36Å; R845-K848 PolarHBondContact O-N 2.98Å; N846-K848 VanDerWaalsContact C-N 3.29Å; N846-K848 PolarHBondContact O-N 2.95Å
849C43.9Very low53.8Low98 Ų98108.2 Ų108.266%0.66260%0.6SS**Hα-helixtrans-84.2-27.3178.8-101.70000112.9R845 N846 D851R845-C849 PolarHBondContact O-N 3.39Å; N846-C849 PolarHBondContact O-N 3.38Å; C849-D851 VanDerWaalsContact C-N 3.29Å; C849-D851 PolarHBondContact O-N 2.78Å
850S41.7Very low50.6Low70 Ų70112.6 Ų112.649%0.4963%0.629SS.*Hα-helixtrans-68.6-25.1176.2420000113.6N846 N847 Q852N846-S850 PolarHBondContact O-N 3.42Å; N846-S850 PolarHBondContact O-OG 3.05Å; N847-S850 WeakPolarHBondContact CA-OG 3.4Å; N847-S850 PolarHBondContact O-OG 2.87Å; S850-Q852 PolarHBondContact O-N 3.31Å
851D40.1Very low47.5Very low142 Ų142120 Ų12076%0.75966%0.662SS**THydrogen-bonded Turntrans-77.71.5-177.8-72.4-12.6000114.8C849C849-D851 VanDerWaalsContact C-N 3.29Å; C849-D851 PolarHBondContact O-N 2.78Å
852Q37.2Very low44.6Very low186 Ų186120.5 Ų120.587%0.86968%0.676SS**THydrogen-bonded Turntrans-114.910.6177.3-70.5-169.33.700114.9S850S850-Q852 PolarHBondContact O-N 3.31Å
853A29.6Very low41.7Very low78 Ų78122.9 Ų122.965%0.64569%0.688SS**SBendtrans-131.245.1-174.300000114.7
854T29.3Very low39.2Very low123 Ų123126.3 Ų126.376%0.75571%0.712SS**SBendtrans-150.6138.9156.646.30000111.3
855D30.9Very low36.7Very low153 Ų153130 Ų13082%0.81873%0.73SS**  trans88.159.5163.4-56.9-14.9000119.3S857D855-S857 PolarHBondContact O-N 3.18Å
856T26.4Very low34.3Very low151 Ų151128.8 Ų128.893%0.92673%0.732SS**  trans-72.4103137.534.30000110.2
857S25.5Very low32.4Very low103 Ų103132.1 Ų132.172%0.7274%0.744SS**  trans-139.2119.8151.9-174.70000109.2D855D855-S857 PolarHBondContact O-N 3.18Å
858P27.9Very low31Very low119 Ų119136.3 Ų136.377%0.77376%0.757SS**  trans-98121.7-170.535.1-28.5000112
859V27.6Very low29.7Very low130 Ų130134.4 Ų134.479%0.78876%0.76SS**  trans-140.191165.1-177.90000106.1
860V25.6Very low28.6Very low108 Ų108136.8 Ų136.866%0.65576%0.763SS**  80.9127.894.2171.50000113.2
861E25.6Very low28.1Very low176 Ų176141.2 Ų141.282%0.82278%0.781SS**  trans73.2119.5161.6-77.2160.2-165.500117.1
862S28.4Very low27.3Very low107 Ų107142 Ų14275%0.74878%0.78SS**  -165.3135.552.3-58.70000111.8
863I26.2Very low26.8Very low151 Ų151138.1 Ų138.177%0.77477%0.773SS**  trans-67126.4166.3-66160.5000108.7
864T30.5Very low26.7Very low140 Ų140143.2 Ų143.286%0.85978%0.784SS**  trans-123114.1156.829.30000110
865N26.3Very low26.6Very low136 Ų136142.3 Ų142.373%0.72778%0.782SS**  trans-64.4132.7-179.9-77.9-35.1000112.6
866Q23.5Very low26.6Very low156 Ų156140.7 Ų140.773%0.72978%0.782SS**  20.6134.9119.5-69.9-172.6-0.800120
867Q24.2Very low27Very low174 Ų174142.4 Ų142.481%0.81378%0.776SS**  trans82.897.7146.5-68.2168.615.800118.9
868K29.1Very low27.8Very low197 Ų197140.2 Ų140.286%0.85776%0.761SS**  trans-142.9103143.9-103.6177.7-175.9177.30111.9
869T24.8Very low28.5Very low125 Ų125139.7 Ų139.777%0.76776%0.758SS**  trans52.1114.3132.9570000120.5
870M21Very low29Very low148 Ų148139.3 Ų139.373%0.72975%0.751SS**  trans-47.7136.3156.6-66.7174.282.200112.5H872M870-H872 VanDerWaalsContact CE-NE2 3.28Å; M870-H872 WeakPolarHBondContact CE-NE2 3.45Å
871N29.8Very low29.8Very low163 Ų163137.8 Ų137.887%0.87274%0.742SS**  trans-142.8116.2148.1-90.1-27.3000108.5
872H23.8Very low31.1Very low158 Ų158134.8 Ų134.873%0.73173%0.728SS**  trans-71.6131.2170.1-74.6-85.5000109.7M870M870-H872 VanDerWaalsContact CE-NE2 3.28Å; M870-H872 WeakPolarHBondContact CE-NE2 3.45Å
873S26.5Very low32.2Very low105 Ų105134.9 Ų134.973%0.73472%0.719SS**  trans177.8142.613640.80000110.9
874E28.6Very low33.3Very low184 Ų184135.6 Ų135.686%0.8671%0.714SS**  trans83.2101152.3-70.7170.9-167.400120.4
875C27.2Very low34.7Very low105 Ų105135.4 Ų135.471%0.70970%0.703SS**  trans74.686.3132.7-1490000117.1K877C875-K877 VanDerWaalsContact C-N 3.35Å; C875-K877 PolarHBondContact O-N 2.96Å
876S30.6Very low36.5Very low118 Ų118135 Ų13583%0.82570%0.695SS**  trans-31.288.3145.152.70000114
877K35.5Very low38Very low187 Ų187131.4 Ų131.481%0.81368%0.683SS**  trans-92.396.8146.3-72.5-177.1179.6177.50105.7C875C875-K877 VanDerWaalsContact C-N 3.35Å; C875-K877 PolarHBondContact O-N 2.96Å
878S41Very low39.4Very low58 Ų58128 Ų12841%0.40667%0.67SS.*  trans-55140.3-178.853.70000110.4L880 T881S878-L880 PolarHBondContact O-N 3.35Å; S878-T881 PolarHBondContact O-N 2.82Å
879P42.9Very low41.2Very low108 Ų108121.7 Ų121.770%0.70165%0.65SS**Hα-helixtrans-54.1-17.1176.519.4-31.4000113.6T881 E882 L883P879-T881 VanDerWaalsContact C-N 3.32Å; P879-T881 PolarHBondContact O-N 2.78Å; P879-E882 PolarHBondContact O-N 3.13Å; P879-L883 WeakPolarHBondContact O-CB 3.31Å; P879-L883 PolarHBondContact O-N 3.5Å
880L38.3Very low43.1Very low121 Ų121121.1 Ų121.163%0.63464%0.642SS**Hα-helixtrans-56-38.4170.7-84.2164.9000113.9S878 L883 Y884S878-L880 PolarHBondContact O-N 3.35Å; L880-L883 PolarHBondContact O-N 3.5Å; L880-Y884 WeakPolarHBondContact O-CB 3.24Å; L880-Y884 PolarHBondContact O-N 3.33Å
881T42.6Very low44.9Very low77 Ų77117 Ų11747%0.47263%0.625SS.*Hα-helixtrans-71.7-38.9-177.7-46.50000111.6S878 P879 Y884 Q885S878-T881 PolarHBondContact O-N 2.82Å; P879-T881 VanDerWaalsContact C-N 3.32Å; P879-T881 PolarHBondContact O-N 2.78Å; T881-Y884 PolarHBondContact O-N 3.27Å; T881-Q885 PolarHBondContact O-N 2.93Å
882E52Low46.3Very low112 Ų112112.6 Ų112.652%0.52361%0.607SS.*Hα-helixtrans-68.2-40.2175.7-160.9-166.4148.700110.9P879 Q885 K886P879-E882 PolarHBondContact O-N 3.13Å; E882-Q885 PolarHBondContact O-N 2.77Å; E882-K886 WeakPolarHBondContact O-CB 3.43Å; E882-K886 PolarHBondContact O-N 3.49Å; E882-K886 IonicContact OE1-NZ 2.64Å; E882-K886 PolarHBondContact OE1-NZ 3.43Å
883L52.2Low47.9Very low109 Ų109110.6 Ų110.657%0.57160%0.598SS**Hα-helixtrans-61.5-44.8173.5-165.972.3000111P879 L880 Q885 K886 T887P879-L883 WeakPolarHBondContact O-CB 3.31Å; P879-L883 PolarHBondContact O-N 3.5Å; L880-L883 PolarHBondContact O-N 3.5Å; L883-Q885 PolarHBondContact O-N 3.18Å; L883-K886 PolarHBondContact O-N 3.36Å; L883-T887 PolarHBondContact O-N 3.49Å; L883-T887 PolarHBondContact O-OG1 3.4Å
884Y48.5Very low49.1Very low167 Ų167108.6 Ų108.666%0.65558%0.582SS**Hα-helixtrans-62.7-42.1178.5-144.7-91.5000112L880 T881 T887 I888L880-Y884 WeakPolarHBondContact O-CB 3.24Å; L880-Y884 PolarHBondContact O-N 3.33Å; T881-Y884 PolarHBondContact O-N 3.27Å; Y884-T887 PolarHBondContact O-N 3.21Å; Y884-I888 HydrophobicContact CD1-CD1 3.75Å; Y884-I888 HydrophobicContact CD1-CG1 4.37Å; Y884-I888 HydrophobicContact CE1-CD1 3.98Å; Y884-I888 WeakPolarHBondContact O-CG1 3.23Å; Y884-I888 PolarHBondContact O-N 3.49Å
885Q60.6Low50.1Low136 Ų136106.2 Ų106.264%0.63657%0.565SS**Hα-helixtrans-66.1-41.6174.8-81.2-177.7-34.400112.2T881 E882 L883 T887 I888 S889T881-Q885 PolarHBondContact O-N 2.93Å; E882-Q885 PolarHBondContact O-N 2.77Å; L883-Q885 PolarHBondContact O-N 3.18Å; Q885-T887 VanDerWaalsContact C-N 3.34Å; Q885-T887 PolarHBondContact O-N 3.35Å; Q885-I888 PolarHBondContact O-N 3.28Å; Q885-S889 WeakPolarHBondContact O-CB 3.45Å; Q885-S889 PolarHBondContact O-N 3.11Å
886K64Low51.4Low127 Ų127105.5 Ų105.555%0.55256%0.561SS**Hα-helixtrans-61.1-41.5173.5-90.9172.4174.3150.20111.8E882 L883 S889 L890E882-K886 WeakPolarHBondContact O-CB 3.43Å; E882-K886 PolarHBondContact O-N 3.49Å; E882-K886 IonicContact OE1-NZ 2.64Å; E882-K886 PolarHBondContact OE1-NZ 3.43Å; L883-K886 PolarHBondContact O-N 3.36Å; K886-S889 WeakPolarHBondContact O-CB 3.48Å; K886-S889 PolarHBondContact O-N 3.16Å; K886-L890 WeakPolarHBondContact O-CB 3.34Å; K886-L890 PolarHBondContact O-N 2.87Å
887T54.2Low52.5Low80 Ų80105.8 Ų105.849%0.49155%0.552SS.*Hα-helixtrans-65.4-44.3176.8-52.50000111.8L883 Y884 Q885 S889 L890 V891L883-T887 PolarHBondContact O-N 3.49Å; L883-T887 PolarHBondContact O-OG1 3.4Å; Y884-T887 PolarHBondContact O-N 3.21Å; Q885-T887 VanDerWaalsContact C-N 3.34Å; Q885-T887 PolarHBondContact O-N 3.35Å; T887-S889 VanDerWaalsContact C-N 3.33Å; T887-S889 PolarHBondContact O-N 3.35Å; T887-L890 PolarHBondContact O-N 3.44Å; T887-V891 HydrophobicContact CG2-CG2 4.36Å; T887-V891 WeakPolarHBondContact O-CB 3.47Å; T887-V891 VanDerWaalsContact O-CG2 3.23Å; T887-V891 WeakPolarHBondContact O-CG2 3.27Å; T887-V891 PolarHBondContact O-N 2.94Å
888I54Low52.8Low102 Ų102103.3 Ų103.352%0.52354%0.543SS..Hα-helixtrans-61.4-43.2176.1-69.3170.3000110.8Y884 Q885 V891 S892Y884-I888 HydrophobicContact CD1-CD1 3.75Å; Y884-I888 HydrophobicContact CD1-CG1 4.37Å; Y884-I888 HydrophobicContact CE1-CD1 3.98Å; Y884-I888 WeakPolarHBondContact O-CG1 3.23Å; Y884-I888 PolarHBondContact O-N 3.49Å; Q885-I888 PolarHBondContact O-N 3.28Å; I888-V891 PolarHBondContact O-N 3.39Å; I888-S892 WeakPolarHBondContact O-CB 3.38Å; I888-S892 PolarHBondContact O-N 2.74Å; I888-S892 PolarHBondContact O-OG 3.46Å
889S68.1Low53.1Low65 Ų65109 Ų10946%0.45556%0.563SS.*Hα-helixtrans-55.7-52.8173.9177.80000111.1Q885 K886 T887 V891 S892 E893Q885-S889 WeakPolarHBondContact O-CB 3.45Å; Q885-S889 PolarHBondContact O-N 3.11Å; K886-S889 WeakPolarHBondContact O-CB 3.48Å; K886-S889 PolarHBondContact O-N 3.16Å; T887-S889 VanDerWaalsContact C-N 3.33Å; T887-S889 PolarHBondContact O-N 3.35Å; S889-V891 VanDerWaalsContact C-N 3.32Å; S889-V891 PolarHBondContact O-N 3.48Å; S889-S892 PolarHBondContact O-N 3.49Å; S889-S892 PolarHBondContact O-OG 2.92Å; S889-E893 WeakPolarHBondContact O-CB 3.3Å; S889-E893 PolarHBondContact O-N 2.77Å
890L63.8Low53Low113 Ų113108.9 Ų108.959%0.59256%0.556SS**Hα-helixtrans-62-38.5-179.4-142.594.1000112.5K886 T887 E893 T894K886-L890 WeakPolarHBondContact O-CB 3.34Å; K886-L890 PolarHBondContact O-N 2.87Å; T887-L890 PolarHBondContact O-N 3.44Å; L890-E893 PolarHBondContact O-N 3.34Å; L890-T894 WeakPolarHBondContact O-CB 3.41Å; L890-T894 PolarHBondContact O-N 3.43Å; L890-T894 PolarHBondContact O-OG1 3.2Å
891V58.7Low53.1Low62 Ų62105.7 Ų105.738%0.37655%0.552SS.*Hα-helixtrans-68.6-37.6177.1171.10000111.3T887 I888 S889 T894 R895T887-V891 HydrophobicContact CG2-CG2 4.36Å; T887-V891 WeakPolarHBondContact O-CB 3.47Å; T887-V891 VanDerWaalsContact O-CG2 3.23Å; T887-V891 WeakPolarHBondContact O-CG2 3.27Å; T887-V891 PolarHBondContact O-N 2.94Å; I888-V891 PolarHBondContact O-N 3.39Å; S889-V891 VanDerWaalsContact C-N 3.32Å; S889-V891 PolarHBondContact O-N 3.48Å; V891-T894 VanDerWaalsContact CA-OG1 3.31Å; V891-T894 WeakPolarHBondContact CA-OG1 3.37Å; V891-T894 PolarHBondContact O-OG1 3.36Å; V891-T894 VanDerWaalsContact O-OG1 3.1Å; V891-R895 WeakPolarHBondContact O-CB 3.42Å; V891-R895 WeakPolarHBondContact O-CG 3.46Å; V891-R895 PolarHBondContact O-N 2.9Å
892S59Low53Low71 Ų71107.7 Ų107.750%0.49757%0.566SS.*Hα-helixtrans-68.8-38.2175.570.40000112.3I888 S889 R895 S896I888-S892 WeakPolarHBondContact O-CB 3.38Å; I888-S892 PolarHBondContact O-N 2.74Å; I888-S892 PolarHBondContact O-OG 3.46Å; S889-S892 PolarHBondContact O-N 3.49Å; S889-S892 PolarHBondContact O-OG 2.92Å; S892-R895 PolarHBondContact O-N 3.12Å; S892-S896 PolarHBondContact O-N 3.06Å
893E57.5Low52.1Low116 Ų116109.5 Ų109.554%0.54258%0.578SS.*Hα-helixtrans-69.3-44.7177.8-172.8168.2-165.800111.9S889 L890 R895 S896 L897S889-E893 WeakPolarHBondContact O-CB 3.3Å; S889-E893 PolarHBondContact O-N 2.77Å; L890-E893 PolarHBondContact O-N 3.34Å; E893-R895 VanDerWaalsContact C-N 3.32Å; E893-R895 PolarHBondContact O-N 3.31Å; E893-S896 WeakPolarHBondContact O-CB 3.41Å; E893-S896 PolarHBondContact O-N 2.83Å; E893-L897 WeakPolarHBondContact O-CG 3.13Å; E893-L897 PolarHBondContact O-N 3.42Å
894T51.5Low51.3Low63 Ų63111.6 Ų111.639%0.38759%0.59SS.*Hα-helixtrans-62.7-37.2172.641.50000112.3L890 V891 L897 H898L890-T894 WeakPolarHBondContact O-CB 3.41Å; L890-T894 PolarHBondContact O-N 3.43Å; L890-T894 PolarHBondContact O-OG1 3.2Å; V891-T894 VanDerWaalsContact CA-OG1 3.31Å; V891-T894 WeakPolarHBondContact CA-OG1 3.37Å; V891-T894 PolarHBondContact O-OG1 3.36Å; V891-T894 VanDerWaalsContact O-OG1 3.1Å; T894-L897 PolarHBondContact O-N 3.47Å; T894-H898 WeakPolarHBondContact O-CB 3.38Å; T894-H898 PolarHBondContact O-CD2 3.02Å; T894-H898 PolarHBondContact O-N 3.22Å; T894-H898 VanDerWaalsContact O-N 3.08Å
895R49.9Very low50.3Low134 Ų134111.6 Ų111.651%0.50660%0.596SS.*Hα-helixtrans-66.8-37.5174.3-81.3-179.1177173.4-0.5113.3V891 S892 E893 H898 H899 I900V891-R895 WeakPolarHBondContact O-CB 3.42Å; V891-R895 WeakPolarHBondContact O-CG 3.46Å; V891-R895 PolarHBondContact O-N 2.9Å; S892-R895 PolarHBondContact O-N 3.12Å; E893-R895 VanDerWaalsContact C-N 3.32Å; E893-R895 PolarHBondContact O-N 3.31Å; R895-H898 PolarHBondContact O-N 2.65Å; R895-H899 PolarHBondContact O-N 3.05Å; R895-I900 HydrophobicContact CG-CB 4.41Å; R895-I900 PolarHBondContact O-N 3.17Å
896S55.6Low48.8Very low89 Ų89110.9 Ų110.962%0.62260%0.601SS**Hα-helixtrans-60.9-48.6172.6175.80000111.3S892 E893 H898 H899S892-S896 PolarHBondContact O-N 3.06Å; E893-S896 WeakPolarHBondContact O-CB 3.41Å; E893-S896 PolarHBondContact O-N 2.83Å; S896-H898 PolarHBondContact O-N 2.97Å; S896-H899 PolarHBondContact O-N 3.02Å
897L53.3Low47.1Very low124 Ų124111.3 Ų111.365%0.64961%0.609SS**Hα-helixtrans-61.3-28.6177.5-77165.2000113.3E893 T894E893-L897 WeakPolarHBondContact O-CG 3.13Å; E893-L897 PolarHBondContact O-N 3.42Å; T894-L897 PolarHBondContact O-N 3.47Å
898H41.6Very low45.7Very low135 Ų135115.7 Ų115.763%0.62562%0.624SS**THydrogen-bonded Turntrans-99.39.1179.7-71.7-61.7000114.5T894 R895 S896 I900T894-H898 WeakPolarHBondContact O-CB 3.38Å; T894-H898 PolarHBondContact O-CD2 3.02Å; T894-H898 PolarHBondContact O-N 3.22Å; T894-H898 VanDerWaalsContact O-N 3.08Å; R895-H898 PolarHBondContact O-N 2.65Å; S896-H898 PolarHBondContact O-N 2.97Å; H898-I900 HydrophobicContact CB-CD1 3.98Å; H898-I900 HydrophobicContact CB-CG1 3.99Å; H898-I900 WeakPolarHBondContact O-CG1 3.33Å; H898-I900 PolarHBondContact O-N 3.26Å; H898-I900 VanDerWaalsContact O-N 3.09Å
899H46.8Very low44.4Very low177 Ų177116.5 Ų116.582%0.81963%0.634SS**THydrogen-bonded Turntrans52.330.4-178.7-56.1-58.5000114.1R895 S896 G901R895-H899 PolarHBondContact O-N 3.05Å; S896-H899 PolarHBondContact O-N 3.02Å; H899-G901 PolarHBondContact O-N 3.07Å
900I40.6Very low42.5Very low106 Ų106119.3 Ų119.354%0.54465%0.648SS.*  trans-87.295.9178-58.3176.1000107.4R895 H898R895-I900 HydrophobicContact CG-CB 4.41Å; R895-I900 PolarHBondContact O-N 3.17Å; H898-I900 HydrophobicContact CB-CD1 3.98Å; H898-I900 HydrophobicContact CB-CG1 3.99Å; H898-I900 WeakPolarHBondContact O-CG1 3.33Å; H898-I900 PolarHBondContact O-N 3.26Å; H898-I900 VanDerWaalsContact O-N 3.09Å
901G41.3Very low40.7Very low54 Ų54119.3 Ų119.356%0.55766%0.658SS**  trans-61.3150.8179.800000113.5H899H899-G901 PolarHBondContact O-N 3.07Å
902P39.9Very low39.4Very low119 Ų119124.5 Ų124.577%0.77368%0.682SS**  trans-66.3139.2-178.925.6-31.7000111.9N904P902-N904 VanDerWaalsContact C-N 3.28Å; P902-N904 PolarHBondContact O-N 3.39Å
903I32.6Very low37.9Very low150 Ų150128 Ų12877%0.76970%0.695SS**  trans-70.882.8177.6-54.8165.6000108.3
904N36.8Very low36.5Very low154 Ų154128.2 Ų128.282%0.82470%0.704SS**  trans-124.1111.6159.7-84.2-18.6000107.7P902P902-N904 VanDerWaalsContact C-N 3.28Å; P902-N904 PolarHBondContact O-N 3.39Å
905Q27.7Very low35.3Very low167 Ų167134 Ų13478%0.7873%0.732SS**  trans-62.1155.6177.9-65.6166.2-12.400110.6
906T27.3Very low34.2Very low121 Ų121134.5 Ų134.574%0.74274%0.744SS**  trans102.1130.5159.8700000117.8
907N28.8Very low32.9Very low136 Ų136138.8 Ų138.873%0.72775%0.754SS**  trans8898.3159.4-52.2-15.5000115.6
908E25.6Very low31.7Very low172 Ų172137.9 Ų137.980%0.80476%0.759SS**  94.8113.879.2-90.7-170.7171.600112.3
909V25.4Very low31.1Very low119 Ų119140.2 Ų140.272%0.72177%0.77SS**  trans60.6117.5141.6-164.30000119.7
910T29.8Very low30Very low124 Ų124141.6 Ų141.676%0.76177%0.773SS**  trans146.999.8132.151.10000108.6
911S25.6Very low29.5Very low113 Ų113141.2 Ų141.279%0.7978%0.78SS**  57.783.290-50.60000114.3
912I31.5Very low28.8Very low171 Ų171147.6 Ų147.688%0.87779%0.793SS**  trans-136.5113.2148.8-59.8179.8000107.3
913D26.5Very low28.2Very low144 Ų144150.8 Ų150.877%0.7780%0.8SS**  trans-70160.9175.6-80.5-50.5000112.7
914T28.1Very low28Very low121 Ų121150.5 Ų150.574%0.74280%0.8SS**  trans72.684.4152.730.20000118.9
915L27.7Very low27.8Very low184 Ų184148.7 Ų148.796%0.96380%0.796SS**  trans-130.864.7139.7-76.9172.2000109
916N25.9Very low28Very low144 Ų144149.1 Ų149.177%0.7780%0.8SS**  trans-109.4109.5162.2-98-22.7000106.5
917Q29.2Very low28.3Very low179 Ų179149.4 Ų149.484%0.83680%0.797SS**SBendtrans154.5105.3137.8-83.116930.900111.5
918S27.3Very low28.5Very low105 Ų105150.2 Ų150.273%0.73480%0.801SS**  trans4678.4138.366.60000118.4K920S918-K920 PolarHBondContact O-N 3.39Å
919E28.6Very low28.9Very low185 Ų185147.7 Ų147.786%0.86479%0.793SS**  trans-83.993.1149.5-76.9-173.6164.900108.7S921E919-S921 PolarHBondContact O-N 3.38Å
920K24.4Very low29.4Very low205 Ų205150 Ų15089%0.89180%0.799SS**  trans-67.974.3148-77178.5175177.60106.7S918 K922S918-K920 PolarHBondContact O-N 3.39Å; K920-K922 PolarHBondContact O-N 3.5Å
921S29.5Very low29.6Very low98 Ų98151.4 Ų151.469%0.68580%0.801SS**  trans-69.9117.6169.254.30000107.2E919 M923E919-S921 PolarHBondContact O-N 3.38Å; S921-M923 PolarHBondContact O-N 2.79Å
922K26.8Very low30.5Very low189 Ų189152.7 Ų152.782%0.82280%0.799SS**  trans-49.7132.2169.2-66.2169.7177.7176.40106.9K920 D924K920-K922 PolarHBondContact O-N 3.5Å; K922-D924 VanDerWaalsContact C-N 3.3Å; K922-D924 PolarHBondContact O-N 2.96Å
923M27.5Very low31.2Very low186 Ų186151.7 Ų151.792%0.91680%0.796SS**  trans-48.9101.2164-84.5154.916200107.5S921S921-M923 PolarHBondContact O-N 2.79Å
924D27.6Very low32.2Very low144 Ų144151.8 Ų151.877%0.7779%0.792SS**  trans-60.7124.4155.9-83.1-32.8000104.9K922 M926K922-D924 VanDerWaalsContact C-N 3.3Å; K922-D924 PolarHBondContact O-N 2.96Å; D924-M926 PolarHBondContact O-N 3.31Å
925P33.1Very low33.3Very low116 Ų116153.5 Ų153.575%0.75380%0.796SS**  trans-58.2111.3177.923.3-29.7000106.5N927P925-N927 PolarHBondContact O-N 3.37Å; P925-N927 VanDerWaalsContact O-N 3.09Å
926M32.1Very low34.8Very low176 Ų176150.6 Ų150.687%0.86778%0.777SS**  trans-50.7119.3176.6-155.380.8158.700106.7D924 D928D924-M926 PolarHBondContact O-N 3.31Å; M926-D928 PolarHBondContact O-N 3.46Å
927N33.1Very low37.1Very low126 Ų126149.2 Ų149.267%0.67478%0.775SS**  trans-40.1123.5170.4-104.98.3000109.5P925 D929P925-N927 PolarHBondContact O-N 3.37Å; P925-N927 VanDerWaalsContact O-N 3.09Å; N927-D929 HydrophobicContact CB-CB 4.22Å; N927-D929 PolarHBondContact ND2-OD2 3.44Å; N927-D929 PolarHBondContact O-N 2.92Å
928D34Very low39.7Very low153 Ų153142.6 Ų142.682%0.81874%0.743SS**  trans-67.246.1167.2-74.7-42.1000111.2M926M926-D928 PolarHBondContact O-N 3.46Å
929D33.9Very low42.6Very low119 Ų119140.6 Ų140.664%0.63673%0.727SS**  trans-100.737-177.7-74.4-26000112.5N927N927-D929 HydrophobicContact CB-CB 4.22Å; N927-D929 PolarHBondContact ND2-OD2 3.44Å; N927-D929 PolarHBondContact O-N 2.92Å
930M34.9Very low45.4Very low168 Ų168135.1 Ų135.183%0.82870%0.704SS**  trans-12656.7159.2-67.4-62.9-61.800109.4N932M930-N932 PolarHBondContact O-N 3.42Å
931D35.1Very low48.7Very low153 Ų153125.5 Ų125.582%0.81866%0.662SS**THydrogen-bonded Turntrans-77.949.8171.3-143.811.2000110.8
932N42.9Very low51.8Low140 Ų140120.8 Ų120.875%0.74963%0.63SS**THydrogen-bonded Turntrans-147.827.1175.9-93.5-19.2000111.8M930 E934M930-N932 PolarHBondContact O-N 3.42Å; N932-E934 PolarHBondContact O-N 2.89Å
933D46.3Very low54.9Low150 Ų150114 Ų11480%0.80260%0.601SS**  trans-63.987.2147.3-95.5-12.6000104.7N935D933-N935 PolarHBondContact O-N 2.88Å
934E48Very low58Low147 Ų147105.3 Ų105.369%0.68756%0.558SS**  trans-38.8114159.1-68.2-179.7172.600104.7N932 H936N932-E934 PolarHBondContact O-N 2.89Å; E934-H936 PolarHBondContact O-N 2.86Å; E934-H936 IonicContact OE2-CE1 3.65Å; E934-H936 IonicContact OE2-ND1 3.28Å
935N50.9Low61.3Low157 Ų15798.4 Ų98.484%0.8452%0.521SS*.  trans-61.170.9-178.8-80.7-49000109D933 T937D933-N935 PolarHBondContact O-N 2.88Å; N935-T937 PolarHBondContact O-N 2.89Å; N935-T937 PolarHBondContact O-OG1 2.71Å
936H60.1Low64.2Low122 Ų12295.4 Ų95.457%0.56550%0.497SS*.  trans-73.691.4-177.8-121.479.9000104.1E934 F938E934-H936 PolarHBondContact O-N 2.86Å; E934-H936 IonicContact OE2-CE1 3.65Å; E934-H936 IonicContact OE2-ND1 3.28Å; H936-F938 VanDerWaalsContact O-CD2 3.31Å; H936-F938 WeakPolarHBondContact O-CD2 3.23Å; H936-F938 WeakPolarHBondContact O-CE2 3.41Å; H936-F938 PolarHBondContact O-N 3.11Å
937T74.5Confident67.2Low116 Ų11690.4 Ų90.471%0.71247%0.471SS*.  trans-71.5104.9178.1-56.20000106.3N935N935-T937 PolarHBondContact O-N 2.89Å; N935-T937 PolarHBondContact O-OG1 2.71Å
938F83.5Confident70.2Confident40 Ų4084.4 Ų84.418%0.17544%0.439CS..  trans-65.7150.6179.1-61-79000110.7H936 D940 Q943 N983 L984H936-F938 VanDerWaalsContact O-CD2 3.31Å; H936-F938 WeakPolarHBondContact O-CD2 3.23Å; H936-F938 WeakPolarHBondContact O-CE2 3.41Å; H936-F938 PolarHBondContact O-N 3.11Å; F938-D940 PolarHBondContact O-N 3.35Å; F938-Q943 HydrophobicContact CB-CG 4.4Å; F938-Q943 PolarHBondContact O-NE2 2.82Å; F938-N983 HydrophobicContact CE1-CB 4.29Å; F938-N983 HydrophobicContact CZ-CB 3.85Å; F938-L984 HydrophobicContact CB-CD1 3.62Å; F938-L984 HydrophobicContact CB-CG 4.41Å; F938-L984 HydrophobicContact CD1-CD1 3.47Å; F938-L984 VanDerWaalsContact CD1-CD1 3.47Å; F938-L984 HydrophobicContact CD1-CG 3.68Å; F938-L984 HydrophobicContact CD2-CD1 3.71Å; F938-L984 HydrophobicContact CD2-CD2 3.44Å; F938-L984 VanDerWaalsContact CD2-CD2 3.44Å; F938-L984 HydrophobicContact CD2-CG 3.52Å; F938-L984 HydrophobicContact CE1-CD1 4.04Å; F938-L984 HydrophobicContact CE1-CG 3.72Å; F938-L984 HydrophobicContact CE2-CD1 4.24Å; F938-L984 HydrophobicContact CE2-CD2 3.52Å; F938-L984 HydrophobicContact CE2-CG 3.56Å; F938-L984 HydrophobicContact CG-CD1 3.29Å; F938-L984 HydrophobicContact CG-CD2 3.98Å; F938-L984 HydrophobicContact CG-CG 3.59Å; F938-L984 HydrophobicContact CZ-CD1 4.39Å; F938-L984 HydrophobicContact CZ-CD2 4.13Å; F938-L984 HydrophobicContact CZ-CG 3.67Å
939P87.9Confident73.2Confident62 Ų6277.1 Ų77.140%0.40340%0.4SS..  trans-50.2138.8174.8-27.133.5000112.1H941 L942 Q943P939-H941 WeakPolarHBondContact CB-CE1 3.35Å; P939-H941 WeakPolarHBondContact CB-ND1 3.36Å; P939-H941 PolarHBondContact O-N 3.47Å; P939-H941 VanDerWaalsContact O-N 3.08Å; P939-L942 HydrophobicContact CB-CD1 4.5Å; P939-L942 HydrophobicContact CB-CG 4.31Å; P939-L942 HydrophobicContact CG-CD1 4.24Å; P939-L942 WeakPolarHBondContact O-CA 3.42Å; P939-L942 WeakPolarHBondContact O-CB 3.5Å; P939-L942 PolarHBondContact O-N 2.97Å; P939-Q943 PolarHBondContact O-N 3.47Å
940D88.4Confident76.1Confident70 Ų7073.8 Ų73.837%0.37438%0.383SS..Hα-helixtrans-53-38.2-173.8-79.4-40.7000113.6L800 K804 F938 L942 Q943 I944L800-D940 HydrophobicContact CD2-CB 3.89Å; L800-D940 HydrophobicContact CG-CB 4.29Å; K804-D940 IonicContact NZ-OD1 3.19Å; K804-D940 PolarHBondContact NZ-OD1 3.21Å; F938-D940 PolarHBondContact O-N 3.35Å; D940-L942 VanDerWaalsContact C-N 3.26Å; D940-L942 PolarHBondContact O-N 3.47Å; D940-Q943 WeakPolarHBondContact O-CB 3.3Å; D940-Q943 PolarHBondContact O-N 3.06Å; D940-I944 WeakPolarHBondContact O-CG1 3.36Å; D940-I944 PolarHBondContact O-N 2.69Å
941H92.5Very high78.9Confident3 Ų370 Ų701%0.01436%0.359CS..Hα-helixtrans-65.9-27.6178.967.3-79000112.9L800 W839 P939 V945L800-H941 HydrophobicContact CD1-CB 3.9Å; L800-H941 HydrophobicContact CD2-CB 3.87Å; W839-H941 HydrophobicContact CE3-CB 4.25Å; P939-H941 WeakPolarHBondContact CB-CE1 3.35Å; P939-H941 WeakPolarHBondContact CB-ND1 3.36Å; P939-H941 PolarHBondContact O-N 3.47Å; P939-H941 VanDerWaalsContact O-N 3.08Å; H941-V945 VanDerWaalsContact O-CG2 3.27Å; H941-V945 WeakPolarHBondContact O-CG2 3.16Å; H941-V945 PolarHBondContact O-N 2.61Å
942L93.9Very high81.7Confident0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-81.5-31.7176-56.2-172.5000112P939 D940 I944 V945 E946 T977 L978 E981 L984P939-L942 HydrophobicContact CB-CD1 4.5Å; P939-L942 HydrophobicContact CB-CG 4.31Å; P939-L942 HydrophobicContact CG-CD1 4.24Å; P939-L942 WeakPolarHBondContact O-CA 3.42Å; P939-L942 WeakPolarHBondContact O-CB 3.5Å; P939-L942 PolarHBondContact O-N 2.97Å; D940-L942 VanDerWaalsContact C-N 3.26Å; D940-L942 PolarHBondContact O-N 3.47Å; L942-I944 VanDerWaalsContact C-N 3.33Å; L942-V945 WeakPolarHBondContact O-CB 3.47Å; L942-V945 PolarHBondContact O-N 2.84Å; L942-E946 PolarHBondContact O-N 3.42Å; L942-T977 HydrophobicContact CD2-CG2 4.11Å; L942-L978 HydrophobicContact CB-CD2 4.02Å; L942-L978 HydrophobicContact CD1-CD2 4.5Å; L942-L978 HydrophobicContact CD2-CD2 4.04Å; L942-L978 HydrophobicContact CG-CD2 4.41Å; L942-E981 HydrophobicContact CD1-CB 4.5Å; L942-E981 HydrophobicContact CD1-CG 3.46Å; L942-E981 VanDerWaalsContact CD1-CG 3.46Å; L942-L984 HydrophobicContact CB-CD1 4.08Å
943Q92.2Very high84.2Confident46 Ų4656.6 Ų56.622%0.21529%0.287CS..Hα-helixtrans-61.9-43.2169.5-61.1178.24.800110.9F938 P939 D940 V945 E946 E947F938-Q943 HydrophobicContact CB-CG 4.4Å; F938-Q943 PolarHBondContact O-NE2 2.82Å; P939-Q943 PolarHBondContact O-N 3.47Å; D940-Q943 WeakPolarHBondContact O-CB 3.3Å; D940-Q943 PolarHBondContact O-N 3.06Å; Q943-V945 VanDerWaalsContact C-N 3.3Å; Q943-V945 PolarHBondContact O-N 3.32Å; Q943-E946 WeakPolarHBondContact O-CB 3.39Å; Q943-E946 PolarHBondContact O-N 3.13Å; Q943-E947 PolarHBondContact O-N 3.36Å
944I93.7Very high86.2Confident3 Ų355.8 Ų55.82%0.01528%0.278CS..Hα-helixtrans-59.6-42.3174.5-67.7171000111.1L800 K804 V807 L832 D940 L942 E946 E947 V948L800-I944 HydrophobicContact CD1-CD1 3.67Å; K804-I944 HydrophobicContact CB-CD1 3.96Å; K804-I944 HydrophobicContact CG-CD1 4.06Å; K804-I944 HydrophobicContact CG-CG1 4.15Å; V807-I944 HydrophobicContact CB-CG2 4.27Å; V807-I944 HydrophobicContact CG1-CG2 3.79Å; V807-I944 HydrophobicContact CG2-CG2 4.27Å; L832-I944 HydrophobicContact CD2-CG2 3.8Å; D940-I944 WeakPolarHBondContact O-CG1 3.36Å; D940-I944 PolarHBondContact O-N 2.69Å; L942-I944 VanDerWaalsContact C-N 3.33Å; I944-E946 VanDerWaalsContact C-N 3.34Å; I944-E946 PolarHBondContact O-N 3.39Å; I944-E947 PolarHBondContact O-N 2.86Å; I944-V948 HydrophobicContact CG2-CG2 4.44Å; I944-V948 WeakPolarHBondContact O-CG2 3.36Å; I944-V948 PolarHBondContact O-N 2.81Å; I944-V948 VanDerWaalsContact O-N 3.09Å
945V96.1Very high88.3Confident0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-58.8-46.6175.9168.60000110.6M833 C836 H941 L942 Q943 V948 M949 T977 L978M833-V945 HydrophobicContact CE-CG2 4.2Å; M833-V945 HydrophobicContact SD-CB 4.19Å; M833-V945 HydrophobicContact SD-CG1 3.8Å; M833-V945 HydrophobicContact SD-CG2 3.93Å; C836-V945 HydrophobicContact CB-CG2 3.76Å; H941-V945 VanDerWaalsContact O-CG2 3.27Å; H941-V945 WeakPolarHBondContact O-CG2 3.16Å; H941-V945 PolarHBondContact O-N 2.61Å; L942-V945 WeakPolarHBondContact O-CB 3.47Å; L942-V945 PolarHBondContact O-N 2.84Å; Q943-V945 VanDerWaalsContact C-N 3.3Å; Q943-V945 PolarHBondContact O-N 3.32Å; V945-V948 PolarHBondContact O-N 3.49Å; V945-M949 HydrophobicContact CG1-CG 4.22Å; V945-M949 HydrophobicContact CG1-SD 3.69Å; V945-M949 WeakPolarHBondContact O-CB 3.25Å; V945-M949 WeakPolarHBondContact O-CG 3.36Å; V945-M949 PolarHBondContact O-N 2.91Å; V945-T977 HydrophobicContact CG2-CG2 3.97Å; V945-L978 HydrophobicContact CG1-CD1 3.97Å; V945-L978 HydrophobicContact CG1-CD2 4.11Å; V945-L978 HydrophobicContact CG1-CG 3.84Å
946E95.4Very high90.2Very high53 Ų5341.4 Ų41.425%0.24821%0.206CC..Hα-helixtrans-57.4-51.8175.7175.4176-15200111.9L942 Q943 I944 V948 M949 L950 I988L942-E946 PolarHBondContact O-N 3.42Å; Q943-E946 WeakPolarHBondContact O-CB 3.39Å; Q943-E946 PolarHBondContact O-N 3.13Å; I944-E946 VanDerWaalsContact C-N 3.34Å; I944-E946 PolarHBondContact O-N 3.39Å; E946-V948 VanDerWaalsContact C-N 3.32Å; E946-V948 PolarHBondContact O-N 3Å; E946-M949 PolarHBondContact O-N 3.12Å; E946-L950 HydrophobicContact CG-CD1 3.88Å; E946-L950 HydrophobicContact CG-CG 4.17Å; E946-L950 VanDerWaalsContact O-CG 3.3Å; E946-L950 WeakPolarHBondContact O-CG 3.48Å; E946-L950 PolarHBondContact O-N 3.17Å; E946-I988 HydrophobicContact CB-CD1 4.03Å; E946-I988 HydrophobicContact CG-CD1 3.85Å; E946-I988 HydrophobicContact CG-CG1 4.43Å
947E93.3Very high91.6Very high70 Ų7038.9 Ų38.933%0.32721%0.206SC..Hα-helixtrans-56.5-44.9-178.4-72.9-176-157.600112.4L811 Q943 I944 R951L811-E947 HydrophobicContact CD1-CB 3.95Å; Q943-E947 PolarHBondContact O-N 3.36Å; I944-E947 PolarHBondContact O-N 2.86Å; E947-R951 PolarHBondContact O-N 2.97Å
948V96.7Very high92.3Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-67.7-42.7178.71750000111.2V807 L811 F829 L832 M833 I944 V945 E946 R951 C952 V970V807-V948 HydrophobicContact CG1-CG2 3.93Å; L811-V948 HydrophobicContact CD1-CG2 4.36Å; L811-V948 HydrophobicContact CD2-CG2 4.32Å; F829-V948 HydrophobicContact CB-CG1 3.79Å; F829-V948 HydrophobicContact CD1-CG1 4.07Å; F829-V948 HydrophobicContact CD1-CG2 4.24Å; F829-V948 HydrophobicContact CD2-CG1 3.93Å; F829-V948 HydrophobicContact CE1-CG2 4.35Å; F829-V948 HydrophobicContact CG-CG1 3.67Å; L832-V948 HydrophobicContact CD2-CG2 4.32Å; M833-V948 HydrophobicContact CE-CB 3.8Å; M833-V948 HydrophobicContact CE-CG1 3.73Å; M833-V948 HydrophobicContact CE-CG2 4.16Å; I944-V948 HydrophobicContact CG2-CG2 4.44Å; I944-V948 WeakPolarHBondContact O-CG2 3.36Å; I944-V948 PolarHBondContact O-N 2.81Å; I944-V948 VanDerWaalsContact O-N 3.09Å; V945-V948 PolarHBondContact O-N 3.49Å; E946-V948 VanDerWaalsContact C-N 3.32Å; E946-V948 PolarHBondContact O-N 3Å; V948-R951 PolarHBondContact O-N 3.4Å; V948-C952 PolarHBondContact O-N 3.29Å; V948-C952 PolarHBondContact O-SG 3.12Å; V948-V970 HydrophobicContact CG1-CG1 4.07Å
949M97.5Very high92.5Very high0 Ų035.9 Ų35.90%020%0.203CC..Hα-helixtrans-61.7-44.6177.3-74.4-178.479.700111.4V945 E946 R951 C952 I953 L971 G974 C975 L978 I988 I992V945-M949 HydrophobicContact CG1-CG 4.22Å; V945-M949 HydrophobicContact CG1-SD 3.69Å; V945-M949 WeakPolarHBondContact O-CB 3.25Å; V945-M949 WeakPolarHBondContact O-CG 3.36Å; V945-M949 PolarHBondContact O-N 2.91Å; E946-M949 PolarHBondContact O-N 3.12Å; M949-R951 PolarHBondContact O-N 3.02Å; M949-C952 PolarHBondContact O-N 3.29Å; M949-I953 WeakPolarHBondContact O-CG1 3.4Å; M949-I953 PolarHBondContact O-N 3.43Å; M949-L971 HydrophobicContact CB-CD2 3.87Å; M949-L971 HydrophobicContact CE-CD2 4.02Å; M949-L971 HydrophobicContact CG-CD2 4.09Å; M949-L971 WeakPolarHBondContact O-CD2 3.43Å; M949-G974 VanDerWaalsContact SD-C 3.56Å; M949-G974 VanDerWaalsContact SD-CA 3.6Å; M949-C975 HydrophobicContact CE-CB 4.49Å; M949-C975 VanDerWaalsContact CE-SG 3.56Å; M949-L978 HydrophobicContact SD-CD1 3.86Å; M949-I988 HydrophobicContact CB-CG2 4.34Å; M949-I988 HydrophobicContact CE-CG2 3.6Å; M949-I988 HydrophobicContact SD-CD1 4.39Å; M949-I988 HydrophobicContact SD-CG2 4.27Å; M949-I992 HydrophobicContact CE-CD1 4.04Å
950L95Very high92.5Very high50 Ų5036.3 Ų36.326%0.26220%0.202SC..Hα-helixtrans-56.8-40.5178-70.6175.3000111.6E946 I953 H954 K991E946-L950 HydrophobicContact CG-CD1 3.88Å; E946-L950 HydrophobicContact CG-CG 4.17Å; E946-L950 VanDerWaalsContact O-CG 3.3Å; E946-L950 WeakPolarHBondContact O-CG 3.48Å; E946-L950 PolarHBondContact O-N 3.17Å; L950-I953 HydrophobicContact CD2-CD1 4.4Å; L950-I953 PolarHBondContact O-N 2.93Å; L950-H954 PolarHBondContact O-CD2 3.4Å; L950-K991 HydrophobicContact CD2-CD 3.54Å
951R92.2Very high92.6Very high88 Ų8834.6 Ų34.633%0.33220%0.195SC..Hα-helixtrans-67.2-41.1175-1576358.7147.512.6112.8L811 L814 D815 E947 V948 M949 I953 H954 L955L811-R951 HydrophobicContact CD2-CB 4.02Å; L811-R951 HydrophobicContact CD2-CG 4.19Å; L814-R951 HydrophobicContact CD2-CG 3.36Å; D815-R951 WeakPolarHBondContact OD1-CD 3.27Å; D815-R951 IonicContact OD1-CZ 3.11Å; D815-R951 IonicContact OD1-NE 3.7Å; D815-R951 IonicContact OD1-NH1 3Å; D815-R951 PolarHBondContact OD1-NH1 3.24Å; D815-R951 IonicContact OD1-NH2 3.36Å; D815-R951 IonicContact OD2-CZ 2.63Å; D815-R951 IonicContact OD2-NH1 3.2Å; D815-R951 PolarHBondContact OD2-NH1 3.42Å; D815-R951 IonicContact OD2-NH2 3.94Å; D815-R951 PolarHBondContact OD2-NH2 3.47Å; E947-R951 PolarHBondContact O-N 2.97Å; V948-R951 PolarHBondContact O-N 3.4Å; M949-R951 PolarHBondContact O-N 3.02Å; R951-I953 VanDerWaalsContact C-N 3.31Å; R951-I953 PolarHBondContact O-N 3.18Å; R951-H954 PolarHBondContact O-N 3.17Å; R951-L955 PolarHBondContact O-N 3.48Å
952C94.8Very high92.6Very high1 Ų139 Ų391%0.00721%0.214CC..Hα-helixtrans-66.8-29179.2-680000113.2V948 M949 H954 L955 M956 S967 L971V948-C952 PolarHBondContact O-N 3.29Å; V948-C952 PolarHBondContact O-SG 3.12Å; M949-C952 PolarHBondContact O-N 3.29Å; C952-H954 VanDerWaalsContact C-N 3.28Å; C952-H954 PolarHBondContact O-N 3.13Å; C952-L955 PolarHBondContact O-N 3.4Å; C952-M956 PolarHBondContact O-N 2.89Å; C952-S967 WeakPolarHBondContact O-CB 3.47Å; C952-L971 HydrophobicContact CB-CD1 4.46Å; C952-L971 HydrophobicContact CB-CD2 3.96Å; C952-L971 HydrophobicContact CB-CG 3.95Å
953I94.7Very high92.5Very high11 Ų1139.5 Ų39.56%0.05622%0.217CC..Hα-helixtrans-60-40174.3-67.6169000111M949 L950 R951 M956 L971 I988 K991 I992M949-I953 WeakPolarHBondContact O-CG1 3.4Å; M949-I953 PolarHBondContact O-N 3.43Å; L950-I953 HydrophobicContact CD2-CD1 4.4Å; L950-I953 PolarHBondContact O-N 2.93Å; R951-I953 VanDerWaalsContact C-N 3.31Å; R951-I953 PolarHBondContact O-N 3.18Å; I953-M956 WeakPolarHBondContact O-CB 3.35Å; I953-M956 PolarHBondContact O-N 3.35Å; I953-L971 HydrophobicContact CG1-CD1 4.24Å; I953-L971 HydrophobicContact CG1-CD2 3.84Å; I953-I988 HydrophobicContact CD1-CG2 4.24Å; I953-K991 HydrophobicContact CD1-CB 3.74Å; I953-I992 HydrophobicContact CD1-CG1 3.69Å; I953-I992 HydrophobicContact CG1-CG1 3.72Å
954H89.5Confident92.6Very high133 Ų13338 Ų3862%0.61621%0.209SC*.Hα-helixtrans-66.8-39.9176.3-65.3-68.4000111.6L950 R951 C952 M956 A957L950-H954 PolarHBondContact O-CD2 3.4Å; R951-H954 PolarHBondContact O-N 3.17Å; C952-H954 VanDerWaalsContact C-N 3.28Å; C952-H954 PolarHBondContact O-N 3.13Å; H954-M956 PolarHBondContact O-N 3.16Å; H954-A957 WeakPolarHBondContact O-CB 3.48Å; H954-A957 PolarHBondContact O-N 2.96Å
955L90.7Very high92.6Very high2 Ų239.5 Ų39.51%0.0122%0.217CC..Hα-helixtrans-66.5-16178.1-67.6176000114.3L814 Y818 T822 L826 R951 C952 A957 D958L814-L955 HydrophobicContact CD2-CD1 4.47Å; Y818-L955 HydrophobicContact CD2-CD2 4.23Å; Y818-L955 HydrophobicContact CE2-CD2 3.41Å; Y818-L955 VanDerWaalsContact CE2-CD2 3.41Å; T822-L955 HydrophobicContact CG2-CD1 3.86Å; T822-L955 HydrophobicContact CG2-CD2 3.56Å; T822-L955 HydrophobicContact CG2-CG 4.39Å; L826-L955 HydrophobicContact CD2-CD1 3.87Å; R951-L955 PolarHBondContact O-N 3.48Å; C952-L955 PolarHBondContact O-N 3.4Å; L955-A957 PolarHBondContact O-N 3.3Å; L955-D958 WeakPolarHBondContact O-CB 3.46Å; L955-D958 PolarHBondContact O-N 3.34Å
956M91.4Very high92.5Very high0 Ų041.2 Ų41.20%023%0.226CC..THydrogen-bonded Turntrans-66.3-21.3170.4-66.7-177.56400112.9C952 I953 H954 R964 M968 L971 L996 R999 L1014C952-M956 PolarHBondContact O-N 2.89Å; I953-M956 WeakPolarHBondContact O-CB 3.35Å; I953-M956 PolarHBondContact O-N 3.35Å; H954-M956 PolarHBondContact O-N 3.16Å; M956-R964 WeakPolarHBondContact O-CD 3.43Å; M956-R964 WeakPolarHBondContact O-CG 3.46Å; M956-M968 HydrophobicContact CE-CE 4.28Å; M956-M968 HydrophobicContact CE-CG 3.79Å; M956-M968 HydrophobicContact CE-SD 4.13Å; M956-M968 HydrophobicContact CG-CG 3.99Å; M956-M968 HydrophobicContact SD-CG 4.21Å; M956-L971 HydrophobicContact CG-CD1 3.86Å; M956-L971 HydrophobicContact SD-CD1 3.29Å; M956-L971 WeakPolarHBondContact SD-CD1 3.32Å; M956-L996 HydrophobicContact CE-CB 4.05Å; M956-L996 HydrophobicContact CE-CD1 4.21Å; M956-R999 HydrophobicContact CE-CG 3.93Å; M956-R999 WeakPolarHBondContact O-CD 3.25Å; M956-R999 PolarHBondContact O-NE 3.38Å; M956-L1014 HydrophobicContact CE-CD2 4.18Å; M956-L1014 HydrophobicContact SD-CD2 4.39Å
957A89.4Confident92.5Very high68 Ų6838.7 Ų38.756%0.56221%0.214SC*.THydrogen-bonded Turntrans-92.1-0.1178.200000113.4H954 L955H954-A957 WeakPolarHBondContact O-CB 3.48Å; H954-A957 PolarHBondContact O-N 2.96Å; L955-A957 PolarHBondContact O-N 3.3Å
958D89.6Confident92.7Very high26 Ų2635.4 Ų35.414%0.13920%0.199CC..  trans-64.6152.6-177.4-169.6-95.7000112.8Y818 L955 N960 L963 R964Y818-D958 PolarHBondContact OH-OD2 2.86Å; L955-D958 WeakPolarHBondContact O-CB 3.46Å; L955-D958 PolarHBondContact O-N 3.34Å; D958-N960 VanDerWaalsContact C-N 3.35Å; D958-N960 PolarHBondContact O-N 3.47Å; D958-N960 VanDerWaalsContact OD1-CB 3.24Å; D958-N960 WeakPolarHBondContact OD1-CB 3.4Å; D958-N960 PolarHBondContact OD1-N 2.91Å; D958-L963 HydrophobicContact CB-CB 4.37Å; D958-L963 WeakPolarHBondContact OD1-CD1 3.42Å; D958-R964 VanDerWaalsContact O-CD 3.28Å; D958-R964 WeakPolarHBondContact O-CD 3.48Å; D958-R964 WeakPolarHBondContact O-CG 3.41Å; D958-R964 PolarHBondContact O-NH1 3.38Å
959G86.6Confident92.8Very high67 Ų6737.3 Ų37.369%0.69121%0.209SC*.SBendtrans-67-30.4178.300000114.1R964G959-R964 PolarHBondContact O-NH1 3.29Å
960N88.8Confident92.8Very high71 Ų7137.4 Ų37.438%0.3821%0.209SC..  trans-80.2117.1-178.9-175.2-17000111.6D958 K962 L963 R964D958-N960 VanDerWaalsContact C-N 3.35Å; D958-N960 PolarHBondContact O-N 3.47Å; D958-N960 VanDerWaalsContact OD1-CB 3.24Å; D958-N960 WeakPolarHBondContact OD1-CB 3.4Å; D958-N960 PolarHBondContact OD1-N 2.91Å; N960-K962 PolarHBondContact O-N 2.99Å; N960-K962 VanDerWaalsContact O-N 3.16Å; N960-K962 VanDerWaalsContact OD1-CB 3.31Å; N960-K962 WeakPolarHBondContact OD1-CB 3.42Å; N960-K962 PolarHBondContact OD1-N 2.95Å; N960-L963 HydrophobicContact CB-CB 4.34Å; N960-L963 HydrophobicContact CB-CD1 4.12Å; N960-L963 HydrophobicContact CB-CG 4.03Å; N960-L963 PolarHBondContact O-N 3.34Å; N960-R964 PolarHBondContact O-N 2.87Å
961P90.8Very high93Very high35 Ų3535 Ų3523%0.22720%0.197CC..Hα-helixtrans-60.6-28.5-179.125.5-34.8000113.4R964 I965 H1004 V1007P961-R964 PolarHBondContact O-N 2.94Å; P961-I965 WeakPolarHBondContact O-CD1 3.25Å; P961-I965 VanDerWaalsContact O-CG1 3.27Å; P961-I965 WeakPolarHBondContact O-CG1 3.45Å; P961-I965 PolarHBondContact O-N 3.44Å; P961-H1004 HydrophobicContact CB-CB 4.38Å; P961-V1007 HydrophobicContact CB-CG2 3.87Å
962K91.4Very high93.2Very high94 Ų9434.7 Ų34.741%0.40920%0.196SC..Hα-helixtrans-67.4-42.6178.5-170.5176.2-179.3-171.90111.8E823 N960 R964 I965 L966E823-K962 HydrophobicContact CG-CD 4.48Å; E823-K962 WeakPolarHBondContact OE1-CE 3.46Å; E823-K962 IonicContact OE1-NZ 3.11Å; E823-K962 PolarHBondContact OE1-NZ 3Å; E823-K962 WeakPolarHBondContact OE2-CD 3.44Å; E823-K962 VanDerWaalsContact OE2-CE 3.23Å; E823-K962 WeakPolarHBondContact OE2-CE 3.29Å; E823-K962 IonicContact OE2-NZ 2.63Å; E823-K962 PolarHBondContact OE2-NZ 2.93Å; N960-K962 PolarHBondContact O-N 2.99Å; N960-K962 VanDerWaalsContact O-N 3.16Å; N960-K962 VanDerWaalsContact OD1-CB 3.31Å; N960-K962 WeakPolarHBondContact OD1-CB 3.42Å; N960-K962 PolarHBondContact OD1-N 2.95Å; K962-R964 VanDerWaalsContact C-N 3.32Å; K962-R964 PolarHBondContact O-N 3.48Å; K962-I965 PolarHBondContact O-N 2.72Å; K962-L966 HydrophobicContact CG-CD1 4.15Å; K962-L966 WeakPolarHBondContact O-CB 3.36Å; K962-L966 WeakPolarHBondContact O-CG 3.39Å; K962-L966 PolarHBondContact O-N 2.9Å
963L92.2Very high93.3Very high12 Ų1235.3 Ų35.36%0.06320%0.199CC..Hα-helixtrans-64.7-39.2176.6-64.7-175.4000111.1T822 E823 L826 D958 N960 I965 L966 S967T822-L963 HydrophobicContact CG2-CD1 3.93Å; T822-L963 HydrophobicContact CG2-CD2 4.03Å; E823-L963 HydrophobicContact CB-CD2 3.86Å; E823-L963 HydrophobicContact CG-CD2 4.38Å; L826-L963 HydrophobicContact CD1-CD2 3.89Å; D958-L963 HydrophobicContact CB-CB 4.37Å; D958-L963 WeakPolarHBondContact OD1-CD1 3.42Å; N960-L963 HydrophobicContact CB-CB 4.34Å; N960-L963 HydrophobicContact CB-CD1 4.12Å; N960-L963 HydrophobicContact CB-CG 4.03Å; N960-L963 PolarHBondContact O-N 3.34Å; L963-I965 PolarHBondContact O-N 3.28Å; L963-L966 PolarHBondContact O-N 3.35Å; L963-S967 WeakPolarHBondContact O-CB 3.34Å; L963-S967 PolarHBondContact O-N 3.38Å; L963-S967 PolarHBondContact O-OG 2.99Å
964R94.5Very high93.4Very high14 Ų1434.8 Ų34.85%0.05320%0.196CC..Hα-helixtrans-60.1-44.7172.7-59.7-162.8-66-907.4112.2M956 D958 G959 N960 P961 K962 S967 M968 D1002 H1004 V1007M956-R964 WeakPolarHBondContact O-CD 3.43Å; M956-R964 WeakPolarHBondContact O-CG 3.46Å; D958-R964 VanDerWaalsContact O-CD 3.28Å; D958-R964 WeakPolarHBondContact O-CD 3.48Å; D958-R964 WeakPolarHBondContact O-CG 3.41Å; D958-R964 PolarHBondContact O-NH1 3.38Å; G959-R964 PolarHBondContact O-NH1 3.29Å; N960-R964 PolarHBondContact O-N 2.87Å; P961-R964 PolarHBondContact O-N 2.94Å; K962-R964 VanDerWaalsContact C-N 3.32Å; K962-R964 PolarHBondContact O-N 3.48Å; R964-S967 PolarHBondContact O-OG 3.38Å; R964-M968 WeakPolarHBondContact O-CB 3.16Å; R964-M968 WeakPolarHBondContact O-CG 3.42Å; R964-M968 PolarHBondContact O-N 3.1Å; R964-M968 VanDerWaalsContact O-N 3.16Å; R964-D1002 IonicContact CZ-OD1 2.56Å; R964-D1002 IonicContact CZ-OD2 3.45Å; R964-D1002 IonicContact NE-OD2 3.79Å; R964-D1002 PolarHBondContact NE-OD2 3Å; R964-D1002 VanDerWaalsContact NH2-CG 3.34Å; R964-D1002 IonicContact NH2-OD1 3.61Å; R964-D1002 PolarHBondContact NH2-OD1 3.38Å; R964-D1002 IonicContact NH2-OD2 3.13Å; R964-D1002 PolarHBondContact NH2-OD2 3.29Å; R964-H1004 PolarHBondContact NH2-CD2 3.28Å; R964-V1007 HydrophobicContact CB-CG1 4.26Å
965I94.2Very high93.8Very high34 Ų3428.4 Ų28.417%0.17417%0.166CC..Hα-helixtrans-63.5-48178.4-71162.7000111.2P961 K962 L963 M968 N969 I1006 V1007 K1010P961-I965 WeakPolarHBondContact O-CD1 3.25Å; P961-I965 VanDerWaalsContact O-CG1 3.27Å; P961-I965 WeakPolarHBondContact O-CG1 3.45Å; P961-I965 PolarHBondContact O-N 3.44Å; K962-I965 PolarHBondContact O-N 2.72Å; L963-I965 PolarHBondContact O-N 3.28Å; I965-M968 PolarHBondContact O-N 3.36Å; I965-N969 PolarHBondContact O-N 3.48Å; I965-N969 VanDerWaalsContact O-N 3.11Å; I965-I1006 HydrophobicContact CD1-CB 4.32Å; I965-I1006 HydrophobicContact CD1-CG2 3.67Å; I965-V1007 HydrophobicContact CD1-CG2 4.21Å; I965-V1007 HydrophobicContact CG1-CG2 4.03Å; I965-K1010 HydrophobicContact CG1-CG 4.2Å; I965-K1010 HydrophobicContact CG2-CD 4.25Å; I965-K1010 HydrophobicContact CG2-CG 3.99Å
966L93.9Very high94Very high36 Ų3629.1 Ų29.119%0.18817%0.17CC..Hα-helixtrans-66.6-42.7-177.6-71.2174.1000111.9E823 L826 K962 L963 M968 N969 V970E823-L966 HydrophobicContact CG-CD1 3.63Å; L826-L966 HydrophobicContact CB-CB 3.95Å; L826-L966 HydrophobicContact CB-CD1 4.33Å; L826-L966 HydrophobicContact CD1-CB 3.4Å; L826-L966 VanDerWaalsContact CD1-CB 3.4Å; L826-L966 HydrophobicContact CD1-CD1 4.06Å; L826-L966 HydrophobicContact CD1-CG 4.4Å; L826-L966 HydrophobicContact CG-CB 4.26Å; K962-L966 HydrophobicContact CG-CD1 4.15Å; K962-L966 WeakPolarHBondContact O-CB 3.36Å; K962-L966 WeakPolarHBondContact O-CG 3.39Å; K962-L966 PolarHBondContact O-N 2.9Å; L963-L966 PolarHBondContact O-N 3.35Å; L966-M968 VanDerWaalsContact C-N 3.31Å; L966-M968 PolarHBondContact O-N 3.17Å; L966-N969 WeakPolarHBondContact O-CB 3.34Å; L966-N969 PolarHBondContact O-N 3.06Å; L966-N969 VanDerWaalsContact O-N 3.15Å; L966-V970 WeakPolarHBondContact O-CG2 3.45Å; L966-V970 PolarHBondContact O-N 2.93Å; L966-V970 VanDerWaalsContact O-N 3.07Å
967S96Very high94.2Very high0 Ų029.2 Ų29.20%017%0.171CC..Hα-helixtrans-61.9-39.4176.862.50000111.9C952 L963 R964 N969 V970 L971C952-S967 WeakPolarHBondContact O-CB 3.47Å; L963-S967 WeakPolarHBondContact O-CB 3.34Å; L963-S967 PolarHBondContact O-N 3.38Å; L963-S967 PolarHBondContact O-OG 2.99Å; R964-S967 PolarHBondContact O-OG 3.38Å; S967-N969 VanDerWaalsContact C-N 3.34Å; S967-N969 PolarHBondContact O-N 2.8Å; S967-V970 PolarHBondContact O-N 2.98Å; S967-L971 VanDerWaalsContact O-CG 3.3Å; S967-L971 WeakPolarHBondContact O-CG 3.43Å; S967-L971 PolarHBondContact O-N 2.92Å
968M97.8Very high94.4Very high2 Ų226 Ų261%0.0114%0.144CC..Hα-helixtrans-66.7-33.5175.6-67.6166.573.800112.8M956 R964 I965 L966 R972 L996 R999 V1007 K1010 A1011 L1014M956-M968 HydrophobicContact CE-CE 4.28Å; M956-M968 HydrophobicContact CE-CG 3.79Å; M956-M968 HydrophobicContact CE-SD 4.13Å; M956-M968 HydrophobicContact CG-CG 3.99Å; M956-M968 HydrophobicContact SD-CG 4.21Å; R964-M968 WeakPolarHBondContact O-CB 3.16Å; R964-M968 WeakPolarHBondContact O-CG 3.42Å; R964-M968 PolarHBondContact O-N 3.1Å; R964-M968 VanDerWaalsContact O-N 3.16Å; I965-M968 PolarHBondContact O-N 3.36Å; L966-M968 VanDerWaalsContact C-N 3.31Å; L966-M968 PolarHBondContact O-N 3.17Å; M968-R972 VanDerWaalsContact O-CB 3.27Å; M968-R972 WeakPolarHBondContact O-CB 3.27Å; M968-R972 PolarHBondContact O-N 3.26Å; M968-L996 HydrophobicContact CE-CD1 4.06Å; M968-R999 HydrophobicContact CE-CG 4.48Å; M968-R999 HydrophobicContact SD-CG 4.16Å; M968-V1007 HydrophobicContact SD-CG1 4.37Å; M968-K1010 HydrophobicContact CE-CB 4.17Å; M968-K1010 WeakPolarHBondContact CE-O 3.1Å; M968-K1010 HydrophobicContact SD-CB 4.49Å; M968-A1011 HydrophobicContact CE-CB 3.67Å; M968-L1014 HydrophobicContact CB-CD2 4.26Å; M968-L1014 HydrophobicContact CE-CB 4.4Å; M968-L1014 HydrophobicContact CE-CD2 4.39Å; M968-L1014 HydrophobicContact CG-CD2 4.15Å
969N97.5Very high94.5Very high40 Ų4028.3 Ų28.321%0.21415%0.154CC..Hα-helixtrans-66.5-41.2173-69.9-23.8000111.7Y830 I965 L966 S967 R972 E973Y830-N969 HydrophobicContact CD2-CB 4.09Å; Y830-N969 HydrophobicContact CE2-CB 4.16Å; I965-N969 PolarHBondContact O-N 3.48Å; I965-N969 VanDerWaalsContact O-N 3.11Å; L966-N969 WeakPolarHBondContact O-CB 3.34Å; L966-N969 PolarHBondContact O-N 3.06Å; L966-N969 VanDerWaalsContact O-N 3.15Å; S967-N969 VanDerWaalsContact C-N 3.34Å; S967-N969 PolarHBondContact O-N 2.8Å; N969-R972 WeakPolarHBondContact O-CB 3.47Å; N969-R972 PolarHBondContact O-N 3.14Å; N969-E973 PolarHBondContact O-N 3.07Å; N969-E973 VanDerWaalsContact O-N 3.14Å
970V97.9Very high94.5Very high1 Ų128.2 Ų28.21%0.00614%0.143CC..Hα-helixtrans-62.4-48.4175178.30000110.3L826 F829 M833 V948 L966 S967 R972 E973 G974L826-V970 HydrophobicContact CD2-CG2 4.38Å; F829-V970 HydrophobicContact CB-CG1 4.22Å; F829-V970 HydrophobicContact CB-CG2 4.27Å; M833-V970 HydrophobicContact CG-CG1 3.87Å; M833-V970 HydrophobicContact SD-CG1 4.49Å; V948-V970 HydrophobicContact CG1-CG1 4.07Å; L966-V970 WeakPolarHBondContact O-CG2 3.45Å; L966-V970 PolarHBondContact O-N 2.93Å; L966-V970 VanDerWaalsContact O-N 3.07Å; S967-V970 PolarHBondContact O-N 2.98Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 2.92Å; V970-E973 PolarHBondContact O-N 3.04Å; V970-G974 PolarHBondContact O-N 2.91Å
971L98.3Very high94.5Very high0 Ų027.6 Ų27.60%014%0.137CC..Hα-helixtrans-60.3-39.4177.4-68.7170.6000112.3M949 C952 I953 M956 S967 G974 C975 I992 L1014M949-L971 HydrophobicContact CB-CD2 3.87Å; M949-L971 HydrophobicContact CE-CD2 4.02Å; M949-L971 HydrophobicContact CG-CD2 4.09Å; M949-L971 WeakPolarHBondContact O-CD2 3.43Å; C952-L971 HydrophobicContact CB-CD1 4.46Å; C952-L971 HydrophobicContact CB-CD2 3.96Å; C952-L971 HydrophobicContact CB-CG 3.95Å; I953-L971 HydrophobicContact CG1-CD1 4.24Å; I953-L971 HydrophobicContact CG1-CD2 3.84Å; M956-L971 HydrophobicContact CG-CD1 3.86Å; M956-L971 HydrophobicContact SD-CD1 3.29Å; M956-L971 WeakPolarHBondContact SD-CD1 3.32Å; S967-L971 VanDerWaalsContact O-CG 3.3Å; S967-L971 WeakPolarHBondContact O-CG 3.43Å; S967-L971 PolarHBondContact O-N 2.92Å; L971-G974 PolarHBondContact O-N 3.48Å; L971-C975 WeakPolarHBondContact O-CB 3.34Å; L971-C975 PolarHBondContact O-N 3.45Å; L971-C975 PolarHBondContact O-SG 3.09Å; L971-C975 VanDerWaalsContact O-SG 3.36Å; L971-I992 HydrophobicContact CD1-CG1 4.4Å; L971-I992 HydrophobicContact CD2-CD1 4.12Å; L971-I992 HydrophobicContact CD2-CG1 4.26Å; L971-L1014 HydrophobicContact CB-CD1 4.22Å; L971-L1014 HydrophobicContact CB-CD2 4.26Å; L971-L1014 HydrophobicContact CD1-CD2 4.3Å
972R97.7Very high94.4Very high82 Ų8229.2 Ų29.231%0.30915%0.147SC..Hα-helixtrans-59.2-48.8176.8-174.1-172.5164.1-80.7-2.7111.1M968 N969 V970 L976 L1014 V1017M968-R972 VanDerWaalsContact O-CB 3.27Å; M968-R972 WeakPolarHBondContact O-CB 3.27Å; M968-R972 PolarHBondContact O-N 3.26Å; N969-R972 WeakPolarHBondContact O-CB 3.47Å; N969-R972 PolarHBondContact O-N 3.14Å; V970-R972 VanDerWaalsContact C-N 3.29Å; V970-R972 PolarHBondContact O-N 2.92Å; R972-L976 WeakPolarHBondContact O-CG 3.37Å; R972-L976 PolarHBondContact O-N 3.15Å; R972-L1014 HydrophobicContact CB-CD1 4.26Å; R972-V1017 HydrophobicContact CG-CB 4.06Å; R972-V1017 HydrophobicContact CG-CG1 4.33Å; R972-V1017 HydrophobicContact CG-CG2 3.52Å
973E96.6Very high94.3Very high13 Ų1330.4 Ų30.46%0.06116%0.158CC..Hα-helixtrans-67.7-42.2176.4-66-58150.800111.7Y830 M833 Q834 R837 N969 V970 C975 L976 T977Y830-E973 HydrophobicContact CD2-CG 3.81Å; Y830-E973 HydrophobicContact CE2-CB 4.31Å; Y830-E973 HydrophobicContact CE2-CG 3.15Å; Y830-E973 PolarHBondContact OH-OE1 3.43Å; M833-E973 HydrophobicContact CB-CB 3.64Å; M833-E973 HydrophobicContact CG-CB 4.31Å; Q834-E973 HydrophobicContact CG-CG 4.41Å; R837-E973 IonicContact NH1-OE2 3.35Å; N969-E973 PolarHBondContact O-N 3.07Å; N969-E973 VanDerWaalsContact O-N 3.14Å; V970-E973 PolarHBondContact O-N 3.04Å; E973-C975 VanDerWaalsContact C-N 3.33Å; E973-C975 PolarHBondContact O-N 2.94Å; E973-L976 CarbonylContact O-C 3.44Å; E973-L976 WeakPolarHBondContact O-CA 3.2Å; E973-L976 WeakPolarHBondContact O-CB 3.39Å; E973-L976 PolarHBondContact O-N 2.91Å; E973-T977 PolarHBondContact O-N 3.37Å; E973-T977 PolarHBondContact O-OG1 3.4Å
974G97.3Very high94.1Very high0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-58.3-41.7177.800000113.2M949 V970 L971 L976 T977 L978M949-G974 VanDerWaalsContact SD-C 3.56Å; M949-G974 VanDerWaalsContact SD-CA 3.6Å; V970-G974 PolarHBondContact O-N 2.91Å; L971-G974 PolarHBondContact O-N 3.48Å; G974-L976 VanDerWaalsContact C-N 3.31Å; G974-L976 PolarHBondContact O-N 3.31Å; G974-T977 WeakPolarHBondContact O-CB 3.08Å; G974-T977 PolarHBondContact O-N 3.34Å; G974-L978 WeakPolarHBondContact O-CG 3.49Å; G974-L978 PolarHBondContact O-N 3.34Å
975C97.4Very high94.1Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-62.1-37173.2-75.90000112.9M949 L971 E973 E979 L985 V1017 V1021M949-C975 HydrophobicContact CE-CB 4.49Å; M949-C975 VanDerWaalsContact CE-SG 3.56Å; L971-C975 WeakPolarHBondContact O-CB 3.34Å; L971-C975 PolarHBondContact O-N 3.45Å; L971-C975 PolarHBondContact O-SG 3.09Å; L971-C975 VanDerWaalsContact O-SG 3.36Å; E973-C975 VanDerWaalsContact C-N 3.33Å; E973-C975 PolarHBondContact O-N 2.94Å; C975-E979 PolarHBondContact O-N 3.26Å; C975-L985 HydrophobicContact CB-CD1 4.32Å; C975-V1017 HydrophobicContact CB-CG1 3.76Å; C975-V1021 HydrophobicContact CB-CG2 4.21Å
976L95.6Very high94.1Very high17 Ų1730.1 Ų30.19%0.08916%0.157CC..Hα-helixtrans-70.7-34.6175.1-66.8170.8000111.4R972 E973 G974 L978 E979 V1017 V1021R972-L976 WeakPolarHBondContact O-CG 3.37Å; R972-L976 PolarHBondContact O-N 3.15Å; E973-L976 CarbonylContact O-C 3.44Å; E973-L976 WeakPolarHBondContact O-CA 3.2Å; E973-L976 WeakPolarHBondContact O-CB 3.39Å; E973-L976 PolarHBondContact O-N 2.91Å; G974-L976 VanDerWaalsContact C-N 3.31Å; G974-L976 PolarHBondContact O-N 3.31Å; L976-L978 VanDerWaalsContact C-N 3.34Å; L976-E979 WeakPolarHBondContact O-CB 3.25Å; L976-E979 PolarHBondContact O-N 3.06Å; L976-V1017 HydrophobicContact CD2-CG1 3.94Å; L976-V1017 HydrophobicContact CD2-CG2 4.46Å; L976-V1017 HydrophobicContact CG-CG1 3.92Å; L976-V1021 HydrophobicContact CD2-CG1 4.33Å
977T94.5Very high94.1Very high2 Ų231.4 Ų31.41%0.01217%0.168CC..Hα-helixtrans-64.4-38.4175.5-54.90000112.1M833 C836 R837 N840 L942 V945 E973 G974M833-T977 PolarHBondContact O-OG1 3.11Å; M833-T977 VanDerWaalsContact O-OG1 3.12Å; C836-T977 HydrophobicContact CB-CG2 3.98Å; R837-T977 HydrophobicContact CB-CG2 4.18Å; N840-T977 PolarHBondContact ND2-O 3.41Å; L942-T977 HydrophobicContact CD2-CG2 4.11Å; V945-T977 HydrophobicContact CG2-CG2 3.97Å; E973-T977 PolarHBondContact O-N 3.37Å; E973-T977 PolarHBondContact O-OG1 3.4Å; G974-T977 WeakPolarHBondContact O-CB 3.08Å; G974-T977 PolarHBondContact O-N 3.34Å
978L94.7Very high94Very high0 Ų031.4 Ų31.40%017%0.168CC..THydrogen-bonded Turntrans-89.811.1-179.6-61.2177.5000114.2L942 V945 M949 G974 L976 S980 E981 L984 L985 I988L942-L978 HydrophobicContact CB-CD2 4.02Å; L942-L978 HydrophobicContact CD1-CD2 4.5Å; L942-L978 HydrophobicContact CD2-CD2 4.04Å; L942-L978 HydrophobicContact CG-CD2 4.41Å; V945-L978 HydrophobicContact CG1-CD1 3.97Å; V945-L978 HydrophobicContact CG1-CD2 4.11Å; V945-L978 HydrophobicContact CG1-CG 3.84Å; M949-L978 HydrophobicContact SD-CD1 3.86Å; G974-L978 WeakPolarHBondContact O-CG 3.49Å; G974-L978 PolarHBondContact O-N 3.34Å; L976-L978 VanDerWaalsContact C-N 3.34Å; L978-S980 PolarHBondContact O-N 3.04Å; L978-S980 VanDerWaalsContact O-N 3.13Å; L978-E981 PolarHBondContact O-N 3.47Å; L978-L984 HydrophobicContact CD2-CD1 4.25Å; L978-L985 HydrophobicContact CB-CB 4.11Å; L978-L985 HydrophobicContact CB-CD1 4.08Å; L978-I988 HydrophobicContact CD1-CD1 3.62Å
979E90.5Very high93.9Very high75 Ų7531.3 Ų31.335%0.3517%0.168SC..THydrogen-bonded Turntrans-57.2-30.7-175.2-176.2169.9-165.600113.2C975 L976 K1020 V1021C975-E979 PolarHBondContact O-N 3.26Å; L976-E979 WeakPolarHBondContact O-CB 3.25Å; L976-E979 PolarHBondContact O-N 3.06Å; E979-K1020 VanDerWaalsContact CD-NZ 3.27Å; E979-K1020 IonicContact OE1-NZ 2.7Å; E979-K1020 PolarHBondContact OE1-NZ 3.25Å; E979-K1020 IonicContact OE2-NZ 3.29Å; E979-K1020 PolarHBondContact OE2-NZ 3.2Å; E979-V1021 HydrophobicContact CB-CG1 4.19Å; E979-V1021 HydrophobicContact CG-CB 4.47Å; E979-V1021 HydrophobicContact CG-CG1 4.02Å
980S86.9Confident93.7Very high64 Ų6433.6 Ų33.645%0.44818%0.177SC..THydrogen-bonded Turntrans-81.5-27.5176.561.90000114.2L978 T982L978-S980 PolarHBondContact O-N 3.04Å; L978-S980 VanDerWaalsContact O-N 3.13Å; S980-T982 PolarHBondContact O-N 2.9Å
981E89.3Confident93.5Very high58 Ų5838.3 Ų38.327%0.27120%0.197SC..  trans-101.473-171.4-59.3-43.8127.500111.6L942 L978 N983 L984 L985L942-E981 HydrophobicContact CD1-CB 4.5Å; L942-E981 HydrophobicContact CD1-CG 3.46Å; L942-E981 VanDerWaalsContact CD1-CG 3.46Å; L978-E981 PolarHBondContact O-N 3.47Å; E981-N983 PolarHBondContact O-N 3.36Å; E981-L984 HydrophobicContact CB-CB 4.41Å; E981-L984 HydrophobicContact CB-CD1 4.42Å; E981-L984 PolarHBondContact O-N 3.32Å; E981-L984 VanDerWaalsContact O-N 3.12Å; E981-L985 WeakPolarHBondContact O-CB 3.29Å; E981-L985 PolarHBondContact O-N 3.45Å
982T88Confident93.4Very high70 Ų7038.3 Ų38.343%0.42920%0.197SC..Hα-helixtrans-56.6-35-175.357.30000113.8S980 L984 L985 L986S980-T982 PolarHBondContact O-N 2.9Å; T982-L984 VanDerWaalsContact C-N 3.34Å; T982-L984 PolarHBondContact O-N 2.96Å; T982-L985 PolarHBondContact O-N 3.45Å; T982-L986 VanDerWaalsContact O-CG 3.28Å; T982-L986 WeakPolarHBondContact O-CG 3.33Å; T982-L986 PolarHBondContact O-N 2.87Å
983N88.8Confident93.2Very high118 Ų11834.6 Ų34.663%0.63118%0.183SC*.Hα-helixtrans-62.7-36.6179.2-67.2-20.7000113F938 E981 P987F938-N983 HydrophobicContact CE1-CB 4.29Å; F938-N983 HydrophobicContact CZ-CB 3.85Å; E981-N983 PolarHBondContact O-N 3.36Å; N983-P987 WeakPolarHBondContact O-CD 3.11Å; N983-P987 WeakPolarHBondContact O-CG 3.36Å
984L89.8Confident92.9Very high11 Ų1137.9 Ų37.96%0.05820%0.204CC..Hα-helixtrans-79.6-41.8172.1-78.4175.9000112.1F938 L942 L978 E981 T982 P987 I988F938-L984 HydrophobicContact CB-CD1 3.62Å; F938-L984 HydrophobicContact CB-CG 4.41Å; F938-L984 HydrophobicContact CD1-CD1 3.47Å; F938-L984 VanDerWaalsContact CD1-CD1 3.47Å; F938-L984 HydrophobicContact CD1-CG 3.68Å; F938-L984 HydrophobicContact CD2-CD1 3.71Å; F938-L984 HydrophobicContact CD2-CD2 3.44Å; F938-L984 VanDerWaalsContact CD2-CD2 3.44Å; F938-L984 HydrophobicContact CD2-CG 3.52Å; F938-L984 HydrophobicContact CE1-CD1 4.04Å; F938-L984 HydrophobicContact CE1-CG 3.72Å; F938-L984 HydrophobicContact CE2-CD1 4.24Å; F938-L984 HydrophobicContact CE2-CD2 3.52Å; F938-L984 HydrophobicContact CE2-CG 3.56Å; F938-L984 HydrophobicContact CG-CD1 3.29Å; F938-L984 HydrophobicContact CG-CD2 3.98Å; F938-L984 HydrophobicContact CG-CG 3.59Å; F938-L984 HydrophobicContact CZ-CD1 4.39Å; F938-L984 HydrophobicContact CZ-CD2 4.13Å; F938-L984 HydrophobicContact CZ-CG 3.67Å; L942-L984 HydrophobicContact CB-CD1 4.08Å; L978-L984 HydrophobicContact CD2-CD1 4.25Å; E981-L984 HydrophobicContact CB-CB 4.41Å; E981-L984 HydrophobicContact CB-CD1 4.42Å; E981-L984 PolarHBondContact O-N 3.32Å; E981-L984 VanDerWaalsContact O-N 3.12Å; T982-L984 VanDerWaalsContact C-N 3.34Å; T982-L984 PolarHBondContact O-N 2.96Å; L984-P987 WeakPolarHBondContact O-CD 3.2Å; L984-I988 WeakPolarHBondContact O-CD1 3.3Å; L984-I988 WeakPolarHBondContact O-CG1 3.42Å
985L93.9Very high92.6Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-66.5-47.9-171.5174.865.3000112.5C975 L978 E981 T982 I988 V989 V1021C975-L985 HydrophobicContact CB-CD1 4.32Å; L978-L985 HydrophobicContact CB-CB 4.11Å; L978-L985 HydrophobicContact CB-CD1 4.08Å; E981-L985 WeakPolarHBondContact O-CB 3.29Å; E981-L985 PolarHBondContact O-N 3.45Å; T982-L985 PolarHBondContact O-N 3.45Å; L985-I988 WeakPolarHBondContact O-CB 3.32Å; L985-I988 PolarHBondContact O-N 3.42Å; L985-I988 VanDerWaalsContact O-N 3.1Å; L985-V989 HydrophobicContact CD1-CG2 3.76Å; L985-V989 HydrophobicContact CG-CG2 3.89Å; L985-V989 VanDerWaalsContact O-CG2 3.29Å; L985-V989 WeakPolarHBondContact O-CG2 3.19Å; L985-V989 PolarHBondContact O-N 3.43Å; L985-V1021 HydrophobicContact CD1-CG2 4.06Å; L985-V1021 HydrophobicContact CD2-CB 3.78Å; L985-V1021 HydrophobicContact CD2-CG2 3.74Å; L985-V1021 HydrophobicContact CG-CG2 4.38Å
986L93.6Very high92.5Very high44 Ų4439 Ų3923%0.2321%0.212CC..Hα-helixtrans-63.8-41.8-169.8-63.6-178.6000113.8T982 I988 V989 H990 A1022 F1025T982-L986 VanDerWaalsContact O-CG 3.28Å; T982-L986 WeakPolarHBondContact O-CG 3.33Å; T982-L986 PolarHBondContact O-N 2.87Å; L986-I988 VanDerWaalsContact C-N 3.3Å; L986-I988 PolarHBondContact O-N 3.48Å; L986-V989 PolarHBondContact O-N 2.84Å; L986-H990 PolarHBondContact O-N 2.89Å; L986-A1022 HydrophobicContact CD2-CB 4.07Å; L986-F1025 HydrophobicContact CB-CD1 4.45Å; L986-F1025 HydrophobicContact CB-CD2 4.47Å; L986-F1025 HydrophobicContact CB-CE1 4.14Å; L986-F1025 HydrophobicContact CB-CE2 4.17Å; L986-F1025 HydrophobicContact CB-CZ 3.99Å; L986-F1025 HydrophobicContact CD1-CD2 3.97Å; L986-F1025 HydrophobicContact CD1-CE2 4.25Å; L986-F1025 HydrophobicContact CD1-CG 4.33Å; L986-F1025 HydrophobicContact CD2-CB 3.88Å; L986-F1025 HydrophobicContact CD2-CD1 3.76Å; L986-F1025 HydrophobicContact CD2-CD2 4.16Å; L986-F1025 HydrophobicContact CD2-CE1 4.3Å; L986-F1025 HydrophobicContact CD2-CG 3.68Å; L986-F1025 HydrophobicContact CG-CD2 4.43Å; L986-F1025 HydrophobicContact CG-CG 4.41Å; L986-F1025 WeakPolarHBondContact O-CE1 3.31Å
987P94.2Very high92.3Very high63 Ų6339.4 Ų39.441%0.40921%0.214SC..Hα-helixtrans-59.4-38171.1-25.735.4000113.3N983 L984 H990 K991N983-P987 WeakPolarHBondContact O-CD 3.11Å; N983-P987 WeakPolarHBondContact O-CG 3.36Å; L984-P987 WeakPolarHBondContact O-CD 3.2Å; P987-H990 WeakPolarHBondContact O-CB 3.34Å; P987-H990 PolarHBondContact O-N 2.95Å; P987-K991 WeakPolarHBondContact O-CG 3.48Å; P987-K991 PolarHBondContact O-N 3.44Å; P987-K991 VanDerWaalsContact O-N 3.09Å
988I94.2Very high92.2Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-69-43.6177.2-61.7170.3000110.4E946 M949 I953 L978 L984 L985 L986 H990 K991 I992E946-I988 HydrophobicContact CB-CD1 4.03Å; E946-I988 HydrophobicContact CG-CD1 3.85Å; E946-I988 HydrophobicContact CG-CG1 4.43Å; M949-I988 HydrophobicContact CB-CG2 4.34Å; M949-I988 HydrophobicContact CE-CG2 3.6Å; M949-I988 HydrophobicContact SD-CD1 4.39Å; M949-I988 HydrophobicContact SD-CG2 4.27Å; I953-I988 HydrophobicContact CD1-CG2 4.24Å; L978-I988 HydrophobicContact CD1-CD1 3.62Å; L984-I988 WeakPolarHBondContact O-CD1 3.3Å; L984-I988 WeakPolarHBondContact O-CG1 3.42Å; L985-I988 WeakPolarHBondContact O-CB 3.32Å; L985-I988 PolarHBondContact O-N 3.42Å; L985-I988 VanDerWaalsContact O-N 3.1Å; L986-I988 VanDerWaalsContact C-N 3.3Å; L986-I988 PolarHBondContact O-N 3.48Å; I988-H990 VanDerWaalsContact C-N 3.25Å; I988-H990 PolarHBondContact O-N 2.87Å; I988-K991 PolarHBondContact O-N 3.49Å; I988-I992 HydrophobicContact CG2-CD1 3.83Å; I988-I992 HydrophobicContact CG2-CG1 4.25Å; I988-I992 WeakPolarHBondContact O-CG1 3.41Å; I988-I992 PolarHBondContact O-N 3.2Å
989V94.6Very high92Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-56-42.9173.7170.90000110.6L985 L986 K991 I992 W993 L1018 A1022 F1025 I1026L985-V989 HydrophobicContact CD1-CG2 3.76Å; L985-V989 HydrophobicContact CG-CG2 3.89Å; L985-V989 VanDerWaalsContact O-CG2 3.29Å; L985-V989 WeakPolarHBondContact O-CG2 3.19Å; L985-V989 PolarHBondContact O-N 3.43Å; L986-V989 PolarHBondContact O-N 2.84Å; V989-K991 PolarHBondContact O-N 3.48Å; V989-I992 PolarHBondContact O-N 3.43Å; V989-W993 PolarHBondContact O-N 3.09Å; V989-L1018 HydrophobicContact CB-CD2 4.44Å; V989-L1018 HydrophobicContact CG1-CD2 4.22Å; V989-L1018 HydrophobicContact CG2-CD2 3.92Å; V989-A1022 HydrophobicContact CG1-CB 3.95Å; V989-A1022 HydrophobicContact CG2-CB 4.18Å; V989-F1025 HydrophobicContact CG1-CD1 4.19Å; V989-F1025 HydrophobicContact CG1-CE1 4.31Å; V989-I1026 HydrophobicContact CG1-CG2 3.57Å
990H93.6Very high91.9Very high88 Ų8845.1 Ų45.141%0.40724%0.236SC..Hα-helixtrans-58.5-46174.5175.8113.5000111.9L986 P987 I988 W993 F1025 R1029L986-H990 PolarHBondContact O-N 2.89Å; P987-H990 WeakPolarHBondContact O-CB 3.34Å; P987-H990 PolarHBondContact O-N 2.95Å; I988-H990 VanDerWaalsContact C-N 3.25Å; I988-H990 PolarHBondContact O-N 2.87Å; H990-W993 WeakPolarHBondContact O-CB 3.36Å; H990-W993 PolarHBondContact O-N 3.12Å; H990-F1025 HydrophobicContact CB-CE1 4.5Å; H990-R1029 PolarHBondContact CE1-NH2 3.33Å; H990-R1029 PolarHBondContact ND1-NH1 2.93Å; H990-R1029 PolarHBondContact ND1-NH2 3.4Å
991K94Very high91.8Very high100 Ų10048.9 Ų48.944%0.43525%0.246SC..Hα-helixtrans-67.6-38179.3-69.3172.7-178.8174.30112.3L950 I953 P987 I988 V989 W993L950-K991 HydrophobicContact CD2-CD 3.54Å; I953-K991 HydrophobicContact CD1-CB 3.74Å; P987-K991 WeakPolarHBondContact O-CG 3.48Å; P987-K991 PolarHBondContact O-N 3.44Å; P987-K991 VanDerWaalsContact O-N 3.09Å; I988-K991 PolarHBondContact O-N 3.49Å; V989-K991 PolarHBondContact O-N 3.48Å; K991-W993 VanDerWaalsContact C-N 3.32Å; K991-W993 PolarHBondContact O-N 2.98Å
992I95.7Very high91.7Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-63-40176.5-68.4166.8000110.9M949 I953 L971 I988 V989 T994 S995 L996 L1014 L1018M949-I992 HydrophobicContact CE-CD1 4.04Å; I953-I992 HydrophobicContact CD1-CG1 3.69Å; I953-I992 HydrophobicContact CG1-CG1 3.72Å; L971-I992 HydrophobicContact CD1-CG1 4.4Å; L971-I992 HydrophobicContact CD2-CD1 4.12Å; L971-I992 HydrophobicContact CD2-CG1 4.26Å; I988-I992 HydrophobicContact CG2-CD1 3.83Å; I988-I992 HydrophobicContact CG2-CG1 4.25Å; I988-I992 WeakPolarHBondContact O-CG1 3.41Å; I988-I992 PolarHBondContact O-N 3.2Å; V989-I992 PolarHBondContact O-N 3.43Å; I992-T994 PolarHBondContact O-N 3.37Å; I992-S995 PolarHBondContact O-N 2.97Å; I992-L996 HydrophobicContact CG2-CB 4.21Å; I992-L996 WeakPolarHBondContact O-CB 3.42Å; I992-L996 PolarHBondContact O-N 2.76Å; I992-L1014 HydrophobicContact CG2-CD2 4Å; I992-L1018 HydrophobicContact CD1-CD2 4.16Å; I992-L1018 HydrophobicContact CG2-CD1 3.85Å
993W94.1Very high91.6Very high4 Ų451.3 Ų51.32%0.01526%0.259CS..Hα-helixtrans-51.3-51.8-169-174.2-99000113.5V989 H990 K991 S995 L996 M997 L1015 I1026 R1029 A1030 E1033 I1034V989-W993 PolarHBondContact O-N 3.09Å; H990-W993 WeakPolarHBondContact O-CB 3.36Å; H990-W993 PolarHBondContact O-N 3.12Å; K991-W993 VanDerWaalsContact C-N 3.32Å; K991-W993 PolarHBondContact O-N 2.98Å; W993-S995 PolarHBondContact O-N 2.87Å; W993-L996 WeakPolarHBondContact O-CB 3.17Å; W993-L996 PolarHBondContact O-N 3.48Å; W993-M997 HydrophobicContact CD2-CE 4.03Å; W993-M997 HydrophobicContact CD2-CG 4.39Å; W993-M997 HydrophobicContact CE3-CE 3.95Å; W993-M997 HydrophobicContact CH2-CE 3.65Å; W993-M997 HydrophobicContact CH2-SD 4.12Å; W993-M997 HydrophobicContact CZ2-CE 3.73Å; W993-M997 HydrophobicContact CZ2-CG 4.2Å; W993-M997 HydrophobicContact CZ2-SD 3.67Å; W993-M997 HydrophobicContact CZ3-CE 3.75Å; W993-M997 WeakPolarHBondContact O-CG 3.41Å; W993-M997 PolarHBondContact O-N 3.47Å; W993-L1015 HydrophobicContact CH2-CD1 4.31Å; W993-L1015 HydrophobicContact CZ3-CD1 3.86Å; W993-I1026 HydrophobicContact CE3-CG2 4.41Å; W993-I1026 HydrophobicContact CZ3-CB 4.31Å; W993-I1026 HydrophobicContact CZ3-CD1 4.09Å; W993-R1029 HydrophobicContact CD2-CB 4.48Å; W993-R1029 HydrophobicContact CH2-CB 4.44Å; W993-R1029 HydrophobicContact CZ2-CB 3.7Å; W993-A1030 HydrophobicContact CH2-CB 3.99Å; W993-E1033 HydrophobicContact CZ2-CB 4.33Å; W993-E1033 PolarHBondContact NE1-OE2 2.95Å; W993-I1034 HydrophobicContact CH2-CG2 4.17Å
994T89.5Confident91.4Very high82 Ų8250 Ų5050%0.50325%0.248SC..Hα-helixtrans-62.4-42.7-176.7-52.20000112.2I992I992-T994 PolarHBondContact O-N 3.37Å
995S91.6Very high91Very high24 Ų2452.2 Ų52.217%0.16827%0.269CS..Hα-helixtrans-68.4-38.8177-69.10000111.6I992 W993 K998 R999I992-S995 PolarHBondContact O-N 2.97Å; W993-S995 PolarHBondContact O-N 2.87Å; S995-K998 PolarHBondContact O-N 3.36Å; S995-R999 PolarHBondContact O-N 2.96Å
996L94.5Very high90.6Very high0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-63.9-44.9177.9179.362.6000112.4M956 M968 I992 W993 K998 R999 F1000 A1011 L1014 L1015 L1018M956-L996 HydrophobicContact CE-CB 4.05Å; M956-L996 HydrophobicContact CE-CD1 4.21Å; M968-L996 HydrophobicContact CE-CD1 4.06Å; I992-L996 HydrophobicContact CG2-CB 4.21Å; I992-L996 WeakPolarHBondContact O-CB 3.42Å; I992-L996 PolarHBondContact O-N 2.76Å; W993-L996 WeakPolarHBondContact O-CB 3.17Å; W993-L996 PolarHBondContact O-N 3.48Å; L996-K998 PolarHBondContact O-N 3.39Å; L996-R999 WeakPolarHBondContact O-CA 3.27Å; L996-R999 WeakPolarHBondContact O-CB 3.38Å; L996-R999 PolarHBondContact O-N 3.33Å; L996-F1000 HydrophobicContact CD1-CE2 4.21Å; L996-F1000 HydrophobicContact CG-CE2 4.05Å; L996-A1011 HydrophobicContact CD1-CB 3.8Å; L996-L1014 HydrophobicContact CD1-CB 4.27Å; L996-L1014 HydrophobicContact CD1-CD2 4.12Å; L996-L1014 HydrophobicContact CD1-CG 4.32Å; L996-L1014 HydrophobicContact CD2-CG 4.44Å; L996-L1015 HydrophobicContact CD2-CB 4.27Å; L996-L1015 HydrophobicContact CD2-CD1 4.46Å; L996-L1018 HydrophobicContact CD2-CD1 3.47Å; L996-L1018 VanDerWaalsContact CD2-CD1 3.47Å
997M93.2Very high90.3Very high25 Ų2555.1 Ų55.112%0.12328%0.283CS..Hα-helixtrans-60.1-33.9-180-69.1-52.410300112.3W993 R999 F1000 H1001 I1034W993-M997 HydrophobicContact CD2-CE 4.03Å; W993-M997 HydrophobicContact CD2-CG 4.39Å; W993-M997 HydrophobicContact CE3-CE 3.95Å; W993-M997 HydrophobicContact CH2-CE 3.65Å; W993-M997 HydrophobicContact CH2-SD 4.12Å; W993-M997 HydrophobicContact CZ2-CE 3.73Å; W993-M997 HydrophobicContact CZ2-CG 4.2Å; W993-M997 HydrophobicContact CZ2-SD 3.67Å; W993-M997 HydrophobicContact CZ3-CE 3.75Å; W993-M997 WeakPolarHBondContact O-CG 3.41Å; W993-M997 PolarHBondContact O-N 3.47Å; M997-R999 VanDerWaalsContact C-N 3.27Å; M997-R999 PolarHBondContact O-N 3.09Å; M997-F1000 HydrophobicContact CE-CD2 4.14Å; M997-F1000 HydrophobicContact CE-CE2 3.9Å; M997-F1000 PolarHBondContact O-N 3.45Å; M997-F1000 HydrophobicContact SD-CD2 4.47Å; M997-H1001 PolarHBondContact O-ND1 3.26Å; M997-I1034 HydrophobicContact CE-CB 4.49Å; M997-I1034 HydrophobicContact SD-CB 3.94Å; M997-I1034 HydrophobicContact SD-CD1 4.08Å; M997-I1034 HydrophobicContact SD-CG1 4.3Å
998K90.8Very high90Very high133 Ų13353.4 Ų53.458%0.57827%0.272SS*.Hα-helixtrans-66.2-27.2173.3-66.6179.6-179.7179.80112.9S995 L996 H1001S995-K998 PolarHBondContact O-N 3.36Å; L996-K998 PolarHBondContact O-N 3.39Å; K998-H1001 PolarHBondContact O-N 2.98Å
999R90.6Very high89.5Confident35 Ų3556.3 Ų56.313%0.13229%0.285CS..Hα-helixtrans-76.8-18.6179.3-62-52.394.8-169.816.1113.9M956 M968 S995 L996 M997 H1001 D1002 V1007 A1011M956-R999 HydrophobicContact CE-CG 3.93Å; M956-R999 WeakPolarHBondContact O-CD 3.25Å; M956-R999 PolarHBondContact O-NE 3.38Å; M968-R999 HydrophobicContact CE-CG 4.48Å; M968-R999 HydrophobicContact SD-CG 4.16Å; S995-R999 PolarHBondContact O-N 2.96Å; L996-R999 WeakPolarHBondContact O-CA 3.27Å; L996-R999 WeakPolarHBondContact O-CB 3.38Å; L996-R999 PolarHBondContact O-N 3.33Å; M997-R999 VanDerWaalsContact C-N 3.27Å; M997-R999 PolarHBondContact O-N 3.09Å; R999-H1001 PolarHBondContact O-N 3.22Å; R999-D1002 IonicContact CZ-OD2 3.84Å; R999-D1002 IonicContact NH1-OD2 3.11Å; R999-D1002 PolarHBondContact NH1-OD2 3.48Å; R999-D1002 VanDerWaalsContact O-CB 3.25Å; R999-D1002 WeakPolarHBondContact O-CB 3.44Å; R999-D1002 PolarHBondContact O-N 2.87Å; R999-V1007 HydrophobicContact CB-CG1 4.33Å; R999-V1007 HydrophobicContact CG-CG1 4.42Å; R999-A1011 HydrophobicContact CB-CB 3.91Å
1000F87.8Confident89.2Confident28 Ų2858.8 Ų58.812%0.12330%0.296CS..THydrogen-bonded Turntrans-70-17.8171-77.9-77.5000113.2L996 M997 V1008 A1011 F1012 L1015 I1034L996-F1000 HydrophobicContact CD1-CE2 4.21Å; L996-F1000 HydrophobicContact CG-CE2 4.05Å; M997-F1000 HydrophobicContact CE-CD2 4.14Å; M997-F1000 HydrophobicContact CE-CE2 3.9Å; M997-F1000 PolarHBondContact O-N 3.45Å; M997-F1000 HydrophobicContact SD-CD2 4.47Å; F1000-V1008 HydrophobicContact CD1-CG1 4.34Å; F1000-A1011 HydrophobicContact CD1-CB 4.47Å; F1000-A1011 HydrophobicContact CD2-CB 4.35Å; F1000-A1011 HydrophobicContact CE1-CB 4.2Å; F1000-A1011 HydrophobicContact CE2-CB 4.1Å; F1000-A1011 HydrophobicContact CZ-CB 4.02Å; F1000-F1012 HydrophobicContact CD1-CE1 4.44Å; F1000-F1012 HydrophobicContact CD1-CE2 4.17Å; F1000-F1012 HydrophobicContact CD1-CZ 4.1Å; F1000-F1012 AromaticContact CE1-CD1 3.72Å; F1000-F1012 HydrophobicContact CE1-CD1 3.72Å; F1000-F1012 AromaticContact CE1-CD2 3.89Å; F1000-F1012 HydrophobicContact CE1-CD2 3.89Å; F1000-F1012 AromaticContact CE1-CE1 3.56Å; F1000-F1012 HydrophobicContact CE1-CE1 3.56Å; F1000-F1012 AromaticContact CE1-CE2 3.77Å; F1000-F1012 HydrophobicContact CE1-CE2 3.77Å; F1000-F1012 AromaticContact CE1-CG 3.88Å; F1000-F1012 HydrophobicContact CE1-CG 3.88Å; F1000-F1012 AromaticContact CE1-CZ 3.61Å; F1000-F1012 HydrophobicContact CE1-CZ 3.61Å; F1000-F1012 HydrophobicContact CZ-CD1 4.2Å; F1000-F1012 HydrophobicContact CZ-CE1 4.33Å; F1000-F1012 HydrophobicContact CZ-CG 4.46Å; F1000-L1015 HydrophobicContact CE2-CD2 4.29Å; F1000-L1015 HydrophobicContact CZ-CB 4.11Å; F1000-L1015 HydrophobicContact CZ-CD2 3.74Å; F1000-I1034 HydrophobicContact CB-CD1 4.29Å; F1000-I1034 HydrophobicContact CD1-CD1 3.9Å; F1000-I1034 HydrophobicContact CD2-CD1 3.5Å; F1000-I1034 HydrophobicContact CD2-CG1 4.5Å; F1000-I1034 HydrophobicContact CE1-CD1 4.09Å; F1000-I1034 HydrophobicContact CE2-CD1 3.69Å; F1000-I1034 HydrophobicContact CE2-CG1 4.24Å; F1000-I1034 HydrophobicContact CG-CD1 3.61Å; F1000-I1034 HydrophobicContact CZ-CD1 3.99Å; F1000-I1034 HydrophobicContact CZ-CG1 4.37Å
1001H86.5Confident89.1Confident143 Ų14354.6 Ų54.666%0.66228%0.277SS*.THydrogen-bonded Turntrans-106.421.6176.3-56.788.6000111.8M997 K998 R999M997-H1001 PolarHBondContact O-ND1 3.26Å; K998-H1001 PolarHBondContact O-N 2.98Å; R999-H1001 PolarHBondContact O-N 3.22Å
1002D87.2Confident88.8Confident20 Ų2050.9 Ų50.911%0.10726%0.26CS..  trans-73.6146-178.6-158.2-62.5000111.8R964 R999 H1004 V1007 V1008R964-D1002 IonicContact CZ-OD1 2.56Å; R964-D1002 IonicContact CZ-OD2 3.45Å; R964-D1002 IonicContact NE-OD2 3.79Å; R964-D1002 PolarHBondContact NE-OD2 3Å; R964-D1002 VanDerWaalsContact NH2-CG 3.34Å; R964-D1002 IonicContact NH2-OD1 3.61Å; R964-D1002 PolarHBondContact NH2-OD1 3.38Å; R964-D1002 IonicContact NH2-OD2 3.13Å; R964-D1002 PolarHBondContact NH2-OD2 3.29Å; R999-D1002 IonicContact CZ-OD2 3.84Å; R999-D1002 IonicContact NH1-OD2 3.11Å; R999-D1002 PolarHBondContact NH1-OD2 3.48Å; R999-D1002 VanDerWaalsContact O-CB 3.25Å; R999-D1002 WeakPolarHBondContact O-CB 3.44Å; R999-D1002 PolarHBondContact O-N 2.87Å; D1002-H1004 PolarHBondContact O-N 3.37Å; D1002-H1004 IonicContact OD1-CD2 3.61Å; D1002-H1004 PolarHBondContact OD1-N 2.75Å; D1002-V1007 HydrophobicContact CB-CB 4.15Å; D1002-V1007 HydrophobicContact CB-CG1 4.12Å; D1002-V1007 VanDerWaalsContact OD2-CG1 3.32Å; D1002-V1007 WeakPolarHBondContact OD2-CG1 3.46Å; D1002-V1008 HydrophobicContact CB-CG2 4.16Å
1003N86Confident88.6Confident159 Ų15952.1 Ų52.185%0.8527%0.267SS*.SBendtrans-66.6-25.1177.5-64-25.3000112.5
1004H83.8Confident88.6Confident90 Ų9052 Ų5242%0.41727%0.267SS..  trans-99.6115.1-178.7-61.8-83.6000111.7P961 R964 D1002 I1006 V1007 V1008P961-H1004 HydrophobicContact CB-CB 4.38Å; R964-H1004 PolarHBondContact NH2-CD2 3.28Å; D1002-H1004 PolarHBondContact O-N 3.37Å; D1002-H1004 IonicContact OD1-CD2 3.61Å; D1002-H1004 PolarHBondContact OD1-N 2.75Å; H1004-I1006 PolarHBondContact O-N 3.28Å; H1004-I1006 VanDerWaalsContact O-N 3.1Å; H1004-V1007 HydrophobicContact CB-CB 4.42Å; H1004-V1007 HydrophobicContact CB-CG2 3.81Å; H1004-V1007 WeakPolarHBondContact O-CB 3.31Å; H1004-V1007 PolarHBondContact O-N 2.83Å; H1004-V1008 PolarHBondContact O-N 3.27Å
1005A81.6Confident88.7Confident58 Ų5848.1 Ų48.148%0.47924%0.243SC..Hα-helixtrans-55.8-31.7-179.400000114.3V1007 V1008 E1009A1005-V1007 VanDerWaalsContact C-N 3.32Å; A1005-V1007 PolarHBondContact O-N 3.16Å; A1005-V1008 PolarHBondContact O-N 3.46Å; A1005-E1009 PolarHBondContact O-N 2.83Å
1006I84.3Confident88.6Confident106 Ų10648.4 Ų48.454%0.54424%0.244SC..Hα-helixtrans-66.9-34.2177.2-57.3173000111I965 H1004 E1009 K1010I965-I1006 HydrophobicContact CD1-CB 4.32Å; I965-I1006 HydrophobicContact CD1-CG2 3.67Å; H1004-I1006 PolarHBondContact O-N 3.28Å; H1004-I1006 VanDerWaalsContact O-N 3.1Å; I1006-E1009 WeakPolarHBondContact O-CB 3.3Å; I1006-E1009 PolarHBondContact O-N 3.5Å; I1006-K1010 WeakPolarHBondContact O-CG 3.25Å; I1006-K1010 PolarHBondContact O-N 2.9Å
1007V89.2Confident88.6Confident0 Ų048.8 Ų48.80%025%0.246CC..Hα-helixtrans-68.9-41.3176.5-177.90000110.2P961 R964 I965 M968 R999 D1002 H1004 A1005 E1009 K1010 A1011P961-V1007 HydrophobicContact CB-CG2 3.87Å; R964-V1007 HydrophobicContact CB-CG1 4.26Å; I965-V1007 HydrophobicContact CD1-CG2 4.21Å; I965-V1007 HydrophobicContact CG1-CG2 4.03Å; M968-V1007 HydrophobicContact SD-CG1 4.37Å; R999-V1007 HydrophobicContact CB-CG1 4.33Å; R999-V1007 HydrophobicContact CG-CG1 4.42Å; D1002-V1007 HydrophobicContact CB-CB 4.15Å; D1002-V1007 HydrophobicContact CB-CG1 4.12Å; D1002-V1007 VanDerWaalsContact OD2-CG1 3.32Å; D1002-V1007 WeakPolarHBondContact OD2-CG1 3.46Å; H1004-V1007 HydrophobicContact CB-CB 4.42Å; H1004-V1007 HydrophobicContact CB-CG2 3.81Å; H1004-V1007 WeakPolarHBondContact O-CB 3.31Å; H1004-V1007 PolarHBondContact O-N 2.83Å; A1005-V1007 VanDerWaalsContact C-N 3.32Å; A1005-V1007 PolarHBondContact O-N 3.16Å; V1007-E1009 VanDerWaalsContact C-N 3.31Å; V1007-E1009 PolarHBondContact O-N 3.33Å; V1007-K1010 CarbonylContact O-C 3.57Å; V1007-K1010 PolarHBondContact O-N 2.88Å; V1007-A1011 PolarHBondContact O-N 3.44Å
1008V86.2Confident88.6Confident27 Ų2747.6 Ų47.616%0.16424%0.24CC..Hα-helixtrans-60.5-42.2174-177.90000110.8F1000 D1002 H1004 A1005 K1010 A1011 F1012F1000-V1008 HydrophobicContact CD1-CG1 4.34Å; D1002-V1008 HydrophobicContact CB-CG2 4.16Å; H1004-V1008 PolarHBondContact O-N 3.27Å; A1005-V1008 PolarHBondContact O-N 3.46Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.46Å; V1008-A1011 VanDerWaalsContact O-CB 3.32Å; V1008-A1011 WeakPolarHBondContact O-CB 3.37Å; V1008-A1011 PolarHBondContact O-N 3.1Å; V1008-A1011 VanDerWaalsContact O-N 3.09Å; V1008-F1012 HydrophobicContact CG1-CD2 4.2Å; V1008-F1012 HydrophobicContact CG1-CE2 3.88Å; V1008-F1012 VanDerWaalsContact O-CD2 3.25Å; V1008-F1012 WeakPolarHBondContact O-CD2 3.38Å; V1008-F1012 PolarHBondContact O-N 3.32Å
1009E84.1Confident88.5Confident60 Ų6041.3 Ų41.328%0.2821%0.213SC..Hα-helixtrans-59.3-42.7174.9-179.6172.4179.800111.9A1005 I1006 V1007 A1011 F1012 D1013 R1063A1005-E1009 PolarHBondContact O-N 2.83Å; I1006-E1009 WeakPolarHBondContact O-CB 3.3Å; I1006-E1009 PolarHBondContact O-N 3.5Å; V1007-E1009 VanDerWaalsContact C-N 3.31Å; V1007-E1009 PolarHBondContact O-N 3.33Å; E1009-A1011 VanDerWaalsContact C-N 3.31Å; E1009-A1011 PolarHBondContact O-N 2.68Å; E1009-F1012 WeakPolarHBondContact O-CB 3.5Å; E1009-F1012 PolarHBondContact O-N 3.38Å; E1009-D1013 PolarHBondContact O-N 3.11Å; E1009-R1063 IonicContact OE1-CZ 3.68Å; E1009-R1063 IonicContact OE1-NH1 2.86Å; E1009-R1063 PolarHBondContact OE1-NH1 3.2Å; E1009-R1063 IonicContact OE2-CZ 2.79Å; E1009-R1063 VanDerWaalsContact OE2-CZ 3.29Å; E1009-R1063 IonicContact OE2-NH1 3.83Å; E1009-R1063 PolarHBondContact OE2-NH1 3.42Å; E1009-R1063 IonicContact OE2-NH2 2.68Å; E1009-R1063 PolarHBondContact OE2-NH2 3.46Å
1010K88.7Confident88.5Confident53 Ų5344.4 Ų44.423%0.2323%0.227CC..Hα-helixtrans-69-29174.7-69-75.3156.5-1500112.9I965 M968 I1006 V1007 V1008 F1012 D1013 L1014I965-K1010 HydrophobicContact CG1-CG 4.2Å; I965-K1010 HydrophobicContact CG2-CD 4.25Å; I965-K1010 HydrophobicContact CG2-CG 3.99Å; M968-K1010 HydrophobicContact CE-CB 4.17Å; M968-K1010 WeakPolarHBondContact CE-O 3.1Å; M968-K1010 HydrophobicContact SD-CB 4.49Å; I1006-K1010 WeakPolarHBondContact O-CG 3.25Å; I1006-K1010 PolarHBondContact O-N 2.9Å; V1007-K1010 CarbonylContact O-C 3.57Å; V1007-K1010 PolarHBondContact O-N 2.88Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.46Å; K1010-F1012 VanDerWaalsContact C-N 3.33Å; K1010-D1013 IonicContact NZ-OD2 3.17Å; K1010-D1013 PolarHBondContact NZ-OD2 2.93Å; K1010-D1013 PolarHBondContact O-N 3.42Å; K1010-L1014 PolarHBondContact O-N 3.42Å
1011A91.3Very high88.7Confident0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-64.9-39.2173.400000111.8M968 L996 R999 F1000 V1007 V1008 E1009 L1014 L1015M968-A1011 HydrophobicContact CE-CB 3.67Å; L996-A1011 HydrophobicContact CD1-CB 3.8Å; R999-A1011 HydrophobicContact CB-CB 3.91Å; F1000-A1011 HydrophobicContact CD1-CB 4.47Å; F1000-A1011 HydrophobicContact CD2-CB 4.35Å; F1000-A1011 HydrophobicContact CE1-CB 4.2Å; F1000-A1011 HydrophobicContact CE2-CB 4.1Å; F1000-A1011 HydrophobicContact CZ-CB 4.02Å; V1007-A1011 PolarHBondContact O-N 3.44Å; V1008-A1011 VanDerWaalsContact O-CB 3.32Å; V1008-A1011 WeakPolarHBondContact O-CB 3.37Å; V1008-A1011 PolarHBondContact O-N 3.1Å; V1008-A1011 VanDerWaalsContact O-N 3.09Å; E1009-A1011 VanDerWaalsContact C-N 3.31Å; E1009-A1011 PolarHBondContact O-N 2.68Å; A1011-L1014 PolarHBondContact O-N 3.22Å; A1011-L1015 WeakPolarHBondContact O-CB 3.01Å; A1011-L1015 PolarHBondContact O-N 2.99Å
1012F87.9Confident88.9Confident21 Ų2137.6 Ų37.69%0.09220%0.199CC..Hα-helixtrans-61.6-47.4170.2-79.9-70000112.3F1000 V1008 E1009 K1010 L1014 L1015 T1016 L1038 L1068F1000-F1012 HydrophobicContact CD1-CE1 4.44Å; F1000-F1012 HydrophobicContact CD1-CE2 4.17Å; F1000-F1012 HydrophobicContact CD1-CZ 4.1Å; F1000-F1012 AromaticContact CE1-CD1 3.72Å; F1000-F1012 HydrophobicContact CE1-CD1 3.72Å; F1000-F1012 AromaticContact CE1-CD2 3.89Å; F1000-F1012 HydrophobicContact CE1-CD2 3.89Å; F1000-F1012 AromaticContact CE1-CE1 3.56Å; F1000-F1012 HydrophobicContact CE1-CE1 3.56Å; F1000-F1012 AromaticContact CE1-CE2 3.77Å; F1000-F1012 HydrophobicContact CE1-CE2 3.77Å; F1000-F1012 AromaticContact CE1-CG 3.88Å; F1000-F1012 HydrophobicContact CE1-CG 3.88Å; F1000-F1012 AromaticContact CE1-CZ 3.61Å; F1000-F1012 HydrophobicContact CE1-CZ 3.61Å; F1000-F1012 HydrophobicContact CZ-CD1 4.2Å; F1000-F1012 HydrophobicContact CZ-CE1 4.33Å; F1000-F1012 HydrophobicContact CZ-CG 4.46Å; V1008-F1012 HydrophobicContact CG1-CD2 4.2Å; V1008-F1012 HydrophobicContact CG1-CE2 3.88Å; V1008-F1012 VanDerWaalsContact O-CD2 3.25Å; V1008-F1012 WeakPolarHBondContact O-CD2 3.38Å; V1008-F1012 PolarHBondContact O-N 3.32Å; E1009-F1012 WeakPolarHBondContact O-CB 3.5Å; E1009-F1012 PolarHBondContact O-N 3.38Å; K1010-F1012 VanDerWaalsContact C-N 3.33Å; F1012-L1014 VanDerWaalsContact C-N 3.26Å; F1012-L1014 PolarHBondContact O-N 3Å; F1012-L1015 PolarHBondContact O-N 3.41Å; F1012-L1015 VanDerWaalsContact O-N 3.16Å; F1012-T1016 PolarHBondContact O-N 2.9Å; F1012-T1016 PolarHBondContact O-OG1 3.48Å; F1012-T1016 VanDerWaalsContact O-OG1 3.12Å; F1012-L1038 HydrophobicContact CE1-CD1 4.11Å; F1012-L1038 HydrophobicContact CE1-CD2 3.4Å; F1012-L1038 HydrophobicContact CE1-CG 4.4Å; F1012-L1038 HydrophobicContact CZ-CD2 3.27Å; F1012-L1068 HydrophobicContact CD1-CD1 4.27Å; F1012-L1068 HydrophobicContact CE1-CD1 3.4Å; F1012-L1068 VanDerWaalsContact CE1-CD1 3.4Å; F1012-L1068 HydrophobicContact CE1-CG 4.49Å; F1012-L1068 HydrophobicContact CZ-CD1 3.74Å; F1012-L1068 HydrophobicContact CZ-CD2 4.14Å; F1012-L1068 HydrophobicContact CZ-CG 4.41Å
1013D90.8Very high88.8Confident26 Ų2637.4 Ų37.414%0.13920%0.203CC..Hα-helixtrans-57.7-40.3179.6-71.2-21.8000111.9E1009 K1010 V1017 R1067E1009-D1013 PolarHBondContact O-N 3.11Å; K1010-D1013 IonicContact NZ-OD2 3.17Å; K1010-D1013 PolarHBondContact NZ-OD2 2.93Å; K1010-D1013 PolarHBondContact O-N 3.42Å; D1013-V1017 PolarHBondContact O-N 2.87Å; D1013-R1067 IonicContact OD1-NH2 3.34Å; D1013-R1067 PolarHBondContact OD1-NH2 2.9Å
1014L95.2Very high88.7Confident1 Ų134.4 Ų34.41%0.00519%0.187CC..Hα-helixtrans-70.3-43.7175.8-178.653.1000111.9M956 M968 L971 R972 I992 L996 K1010 A1011 F1012 T1016 V1017 L1018M956-L1014 HydrophobicContact CE-CD2 4.18Å; M956-L1014 HydrophobicContact SD-CD2 4.39Å; M968-L1014 HydrophobicContact CB-CD2 4.26Å; M968-L1014 HydrophobicContact CE-CB 4.4Å; M968-L1014 HydrophobicContact CE-CD2 4.39Å; M968-L1014 HydrophobicContact CG-CD2 4.15Å; L971-L1014 HydrophobicContact CB-CD1 4.22Å; L971-L1014 HydrophobicContact CB-CD2 4.26Å; L971-L1014 HydrophobicContact CD1-CD2 4.3Å; R972-L1014 HydrophobicContact CB-CD1 4.26Å; I992-L1014 HydrophobicContact CG2-CD2 4Å; L996-L1014 HydrophobicContact CD1-CB 4.27Å; L996-L1014 HydrophobicContact CD1-CD2 4.12Å; L996-L1014 HydrophobicContact CD1-CG 4.32Å; L996-L1014 HydrophobicContact CD2-CG 4.44Å; K1010-L1014 PolarHBondContact O-N 3.42Å; A1011-L1014 PolarHBondContact O-N 3.22Å; F1012-L1014 VanDerWaalsContact C-N 3.26Å; F1012-L1014 PolarHBondContact O-N 3Å; L1014-T1016 VanDerWaalsContact C-N 3.31Å; L1014-T1016 PolarHBondContact O-N 3.47Å; L1014-V1017 PolarHBondContact O-N 2.82Å; L1014-V1017 VanDerWaalsContact O-N 3.1Å; L1014-L1018 HydrophobicContact CD1-CD2 4.48Å; L1014-L1018 HydrophobicContact CD1-CG 4.27Å; L1014-L1018 HydrophobicContact CG-CD1 4.42Å; L1014-L1018 HydrophobicContact CG-CG 4.43Å; L1014-L1018 WeakPolarHBondContact O-CG 2.96Å; L1014-L1018 PolarHBondContact O-N 3.05Å
1015L92.2Very high88.9Confident1 Ų134.6 Ų34.61%0.00519%0.186CC..Hα-helixtrans-57.2-44176.4177.962.9000111.8W993 L996 F1000 A1011 F1012 V1017 L1018 S1019 I1034 L1075W993-L1015 HydrophobicContact CH2-CD1 4.31Å; W993-L1015 HydrophobicContact CZ3-CD1 3.86Å; L996-L1015 HydrophobicContact CD2-CB 4.27Å; L996-L1015 HydrophobicContact CD2-CD1 4.46Å; F1000-L1015 HydrophobicContact CE2-CD2 4.29Å; F1000-L1015 HydrophobicContact CZ-CB 4.11Å; F1000-L1015 HydrophobicContact CZ-CD2 3.74Å; A1011-L1015 WeakPolarHBondContact O-CB 3.01Å; A1011-L1015 PolarHBondContact O-N 2.99Å; F1012-L1015 PolarHBondContact O-N 3.41Å; F1012-L1015 VanDerWaalsContact O-N 3.16Å; L1015-V1017 VanDerWaalsContact C-N 3.26Å; L1015-V1017 PolarHBondContact O-N 3.25Å; L1015-L1018 PolarHBondContact O-N 3.42Å; L1015-S1019 PolarHBondContact O-N 2.68Å; L1015-S1019 PolarHBondContact O-OG 3.34Å; L1015-S1019 VanDerWaalsContact O-OG 3.14Å; L1015-I1034 HydrophobicContact CD2-CG1 3.95Å; L1015-I1034 HydrophobicContact CD2-CG2 4.46Å; L1015-L1075 HydrophobicContact CD2-CD1 4.38Å; L1015-L1075 HydrophobicContact CD2-CD2 3.94Å; L1015-L1075 HydrophobicContact CG-CD1 4.12Å
1016T89.5Confident89.1Confident31 Ų3131.9 Ų31.919%0.1916%0.164CC..Hα-helixtrans-61.3-35.9177.7-59.90000111.9F1012 L1014 S1019 K1020F1012-T1016 PolarHBondContact O-N 2.9Å; F1012-T1016 PolarHBondContact O-OG1 3.48Å; F1012-T1016 VanDerWaalsContact O-OG1 3.12Å; L1014-T1016 VanDerWaalsContact C-N 3.31Å; L1014-T1016 PolarHBondContact O-N 3.47Å; T1016-S1019 WeakPolarHBondContact CA-OG 3.3Å; T1016-S1019 PolarHBondContact O-OG 2.96Å; T1016-K1020 WeakPolarHBondContact O-CB 3.44Å; T1016-K1020 PolarHBondContact O-N 2.96Å; T1016-K1020 VanDerWaalsContact O-N 3.15Å
1017V93.7Very high89.3Confident8 Ų831.8 Ų31.85%0.04816%0.157CC..Hα-helixtrans-71.7-44.7174.1169.30000110.9R972 C975 L976 D1013 L1014 L1015 S1019 K1020 V1021R972-V1017 HydrophobicContact CG-CB 4.06Å; R972-V1017 HydrophobicContact CG-CG1 4.33Å; R972-V1017 HydrophobicContact CG-CG2 3.52Å; C975-V1017 HydrophobicContact CB-CG1 3.76Å; L976-V1017 HydrophobicContact CD2-CG1 3.94Å; L976-V1017 HydrophobicContact CD2-CG2 4.46Å; L976-V1017 HydrophobicContact CG-CG1 3.92Å; D1013-V1017 PolarHBondContact O-N 2.87Å; L1014-V1017 PolarHBondContact O-N 2.82Å; L1014-V1017 VanDerWaalsContact O-N 3.1Å; L1015-V1017 VanDerWaalsContact C-N 3.26Å; L1015-V1017 PolarHBondContact O-N 3.25Å; V1017-S1019 VanDerWaalsContact C-N 3.33Å; V1017-S1019 PolarHBondContact O-N 2.91Å; V1017-K1020 WeakPolarHBondContact O-CB 3.48Å; V1017-K1020 PolarHBondContact O-N 3.38Å; V1017-K1020 VanDerWaalsContact O-N 3.1Å; V1017-V1021 HydrophobicContact CG1-CG1 4.31Å; V1017-V1021 WeakPolarHBondContact O-CG2 3.41Å; V1017-V1021 PolarHBondContact O-N 3.4Å
1018L93.3Very high89.1Confident0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-59-43.2176.8-65.8179.5000112.2V989 I992 L996 L1014 L1015 K1020 V1021 A1022 I1026V989-L1018 HydrophobicContact CB-CD2 4.44Å; V989-L1018 HydrophobicContact CG1-CD2 4.22Å; V989-L1018 HydrophobicContact CG2-CD2 3.92Å; I992-L1018 HydrophobicContact CD1-CD2 4.16Å; I992-L1018 HydrophobicContact CG2-CD1 3.85Å; L996-L1018 HydrophobicContact CD2-CD1 3.47Å; L996-L1018 VanDerWaalsContact CD2-CD1 3.47Å; L1014-L1018 HydrophobicContact CD1-CD2 4.48Å; L1014-L1018 HydrophobicContact CD1-CG 4.27Å; L1014-L1018 HydrophobicContact CG-CD1 4.42Å; L1014-L1018 HydrophobicContact CG-CG 4.43Å; L1014-L1018 WeakPolarHBondContact O-CG 2.96Å; L1014-L1018 PolarHBondContact O-N 3.05Å; L1015-L1018 PolarHBondContact O-N 3.42Å; L1018-K1020 VanDerWaalsContact C-N 3.3Å; L1018-K1020 PolarHBondContact O-N 3.13Å; L1018-V1021 PolarHBondContact O-N 3.07Å; L1018-A1022 WeakPolarHBondContact O-CB 3.41Å; L1018-A1022 PolarHBondContact O-N 2.95Å; L1018-I1026 HydrophobicContact CB-CD1 4.19Å
1019S89.3Confident89.1Confident1 Ų140.8 Ų40.81%0.00719%0.194CC..Hα-helixtrans-65.3-35.7176.357.60000112L1015 T1016 V1017 G1023 L1075 Q1078L1015-S1019 PolarHBondContact O-N 2.68Å; L1015-S1019 PolarHBondContact O-OG 3.34Å; L1015-S1019 VanDerWaalsContact O-OG 3.14Å; T1016-S1019 WeakPolarHBondContact CA-OG 3.3Å; T1016-S1019 PolarHBondContact O-OG 2.96Å; V1017-S1019 VanDerWaalsContact C-N 3.33Å; V1017-S1019 PolarHBondContact O-N 2.91Å; S1019-G1023 VanDerWaalsContact O-CA 3.31Å; S1019-G1023 WeakPolarHBondContact O-CA 3.16Å; S1019-G1023 PolarHBondContact O-N 3.32Å; S1019-G1023 VanDerWaalsContact O-N 3.11Å; S1019-L1075 VanDerWaalsContact CB-CD1 3.47Å; S1019-L1075 WeakPolarHBondContact OG-CD1 3.26Å; S1019-Q1078 PolarHBondContact OG-OE1 3.05Å
1020K89.8Confident89.2Confident99 Ų9938 Ų3843%0.4318%0.18SC..Hα-helixtrans-63.6-49.7174.4-172.7-164.7176.1-120.50111.7E979 T1016 V1017 L1018E979-K1020 VanDerWaalsContact CD-NZ 3.27Å; E979-K1020 IonicContact OE1-NZ 2.7Å; E979-K1020 PolarHBondContact OE1-NZ 3.25Å; E979-K1020 IonicContact OE2-NZ 3.29Å; E979-K1020 PolarHBondContact OE2-NZ 3.2Å; T1016-K1020 WeakPolarHBondContact O-CB 3.44Å; T1016-K1020 PolarHBondContact O-N 2.96Å; T1016-K1020 VanDerWaalsContact O-N 3.15Å; V1017-K1020 WeakPolarHBondContact O-CB 3.48Å; V1017-K1020 PolarHBondContact O-N 3.38Å; V1017-K1020 VanDerWaalsContact O-N 3.1Å; L1018-K1020 VanDerWaalsContact C-N 3.3Å; L1018-K1020 PolarHBondContact O-N 3.13Å
1021V92.2Very high89.1Confident16 Ų1636.9 Ų36.910%0.09718%0.179CC..Hα-helixtrans-87.3-30.6-169.8-55.60000113.7C975 L976 E979 L985 V1017 L1018C975-V1021 HydrophobicContact CB-CG2 4.21Å; L976-V1021 HydrophobicContact CD2-CG1 4.33Å; E979-V1021 HydrophobicContact CB-CG1 4.19Å; E979-V1021 HydrophobicContact CG-CB 4.47Å; E979-V1021 HydrophobicContact CG-CG1 4.02Å; L985-V1021 HydrophobicContact CD1-CG2 4.06Å; L985-V1021 HydrophobicContact CD2-CB 3.78Å; L985-V1021 HydrophobicContact CD2-CG2 3.74Å; L985-V1021 HydrophobicContact CG-CG2 4.38Å; V1017-V1021 HydrophobicContact CG1-CG1 4.31Å; V1017-V1021 WeakPolarHBondContact O-CG2 3.41Å; V1017-V1021 PolarHBondContact O-N 3.4Å; L1018-V1021 PolarHBondContact O-N 3.07Å
1022A90.4Very high88.9Confident12 Ų1240.2 Ų40.210%0.09920%0.203CC..Hα-helixtrans-98.7-18.6-17900000113.2L986 V989 L1018 N1024 F1025 I1026L986-A1022 HydrophobicContact CD2-CB 4.07Å; V989-A1022 HydrophobicContact CG1-CB 3.95Å; V989-A1022 HydrophobicContact CG2-CB 4.18Å; L1018-A1022 WeakPolarHBondContact O-CB 3.41Å; L1018-A1022 PolarHBondContact O-N 2.95Å; A1022-N1024 PolarHBondContact O-N 3.41Å; A1022-N1024 VanDerWaalsContact O-N 3.16Å; A1022-F1025 HydrophobicContact CB-CB 4.22Å; A1022-F1025 HydrophobicContact CB-CD1 4.43Å; A1022-F1025 VanDerWaalsContact O-CB 3.24Å; A1022-F1025 WeakPolarHBondContact O-CB 3.34Å; A1022-F1025 PolarHBondContact O-N 2.78Å; A1022-I1026 HydrophobicContact CB-CG2 4.24Å
1023G85.3Confident89Confident17 Ų1743.4 Ų43.418%0.17522%0.218CC..G310 helixtrans49.8-118.217700000113.5S1019 F1025 Q1078S1019-G1023 VanDerWaalsContact O-CA 3.31Å; S1019-G1023 WeakPolarHBondContact O-CA 3.16Å; S1019-G1023 PolarHBondContact O-N 3.32Å; S1019-G1023 VanDerWaalsContact O-N 3.11Å; G1023-F1025 PolarHBondContact O-N 3.3Å; G1023-Q1078 WeakPolarHBondContact CA-O 3.31Å
1024N83.7Confident88.8Confident96 Ų9642.3 Ų42.351%0.51321%0.212SC..G310 helixtrans-67-18.8-177.2-69.6-30.2000114.2A1022 I1026 R1027 M1079A1022-N1024 PolarHBondContact O-N 3.41Å; A1022-N1024 VanDerWaalsContact O-N 3.16Å; N1024-I1026 VanDerWaalsContact C-N 3.28Å; N1024-I1026 PolarHBondContact O-N 3.35Å; N1024-R1027 WeakPolarHBondContact O-CB 3.4Å; N1024-R1027 PolarHBondContact O-N 3.25Å; N1024-R1027 VanDerWaalsContact O-N 3.08Å; N1024-M1079 PolarHBondContact OD1-O 3Å
1025F87.8Confident88.6Confident94 Ų9442.5 Ų42.541%0.41221%0.213SC..G310 helixtrans-59.3-38.9-177.6179.2-105.6000112.4L986 V989 H990 A1022 G1023L986-F1025 HydrophobicContact CB-CD1 4.45Å; L986-F1025 HydrophobicContact CB-CD2 4.47Å; L986-F1025 HydrophobicContact CB-CE1 4.14Å; L986-F1025 HydrophobicContact CB-CE2 4.17Å; L986-F1025 HydrophobicContact CB-CZ 3.99Å; L986-F1025 HydrophobicContact CD1-CD2 3.97Å; L986-F1025 HydrophobicContact CD1-CE2 4.25Å; L986-F1025 HydrophobicContact CD1-CG 4.33Å; L986-F1025 HydrophobicContact CD2-CB 3.88Å; L986-F1025 HydrophobicContact CD2-CD1 3.76Å; L986-F1025 HydrophobicContact CD2-CD2 4.16Å; L986-F1025 HydrophobicContact CD2-CE1 4.3Å; L986-F1025 HydrophobicContact CD2-CG 3.68Å; L986-F1025 HydrophobicContact CG-CD2 4.43Å; L986-F1025 HydrophobicContact CG-CG 4.41Å; L986-F1025 WeakPolarHBondContact O-CE1 3.31Å; V989-F1025 HydrophobicContact CG1-CD1 4.19Å; V989-F1025 HydrophobicContact CG1-CE1 4.31Å; H990-F1025 HydrophobicContact CB-CE1 4.5Å; A1022-F1025 HydrophobicContact CB-CB 4.22Å; A1022-F1025 HydrophobicContact CB-CD1 4.43Å; A1022-F1025 VanDerWaalsContact O-CB 3.24Å; A1022-F1025 WeakPolarHBondContact O-CB 3.34Å; A1022-F1025 PolarHBondContact O-N 2.78Å; G1023-F1025 PolarHBondContact O-N 3.3Å
1026I87Confident88.5Confident1 Ų145 Ų451%0.00523%0.23CC..G310 helixtrans-93.22.4178.863171.8000113.3V989 W993 L1018 A1022 N1024 Q1028 R1029 A1030 M1079V989-I1026 HydrophobicContact CG1-CG2 3.57Å; W993-I1026 HydrophobicContact CE3-CG2 4.41Å; W993-I1026 HydrophobicContact CZ3-CB 4.31Å; W993-I1026 HydrophobicContact CZ3-CD1 4.09Å; L1018-I1026 HydrophobicContact CB-CD1 4.19Å; A1022-I1026 HydrophobicContact CB-CG2 4.24Å; N1024-I1026 VanDerWaalsContact C-N 3.28Å; N1024-I1026 PolarHBondContact O-N 3.35Å; I1026-Q1028 PolarHBondContact O-N 3.26Å; I1026-R1029 PolarHBondContact O-N 3.04Å; I1026-A1030 VanDerWaalsContact O-CB 3.27Å; I1026-A1030 WeakPolarHBondContact O-CB 3.35Å; I1026-A1030 PolarHBondContact O-N 2.91Å; I1026-M1079 HydrophobicContact CD1-SD 4.31Å; I1026-M1079 HydrophobicContact CG1-CG 4.44Å; I1026-M1079 HydrophobicContact CG1-SD 4.37Å
1027R86.9Confident88.4Confident104 Ų10445.8 Ų45.839%0.39224%0.235SC..Hα-helixtrans-54.8-51.8-173.1179.4175.964.4-164.1-3.2113N1024 A1030 S1031 M1079 G1080 L1081N1024-R1027 WeakPolarHBondContact O-CB 3.4Å; N1024-R1027 PolarHBondContact O-N 3.25Å; N1024-R1027 VanDerWaalsContact O-N 3.08Å; R1027-A1030 PolarHBondContact O-N 3.1Å; R1027-S1031 WeakPolarHBondContact O-CB 3.29Å; R1027-S1031 PolarHBondContact O-N 2.64Å; R1027-M1079 WeakPolarHBondContact CB-O 3.34Å; R1027-M1079 WeakPolarHBondContact CD-O 3.39Å; R1027-M1079 WeakPolarHBondContact CG-O 3.38Å; R1027-G1080 WeakPolarHBondContact CD-O 3.49Å; R1027-L1081 HydrophobicContact CG-CD2 3.8Å
1028Q86.5Confident88.2Confident147 Ų14745.7 Ų45.769%0.68723%0.234SC*.Hα-helixtrans-62.5-47.4-177-176.464.814.400110.7I1026 A1030 S1031 S1032I1026-Q1028 PolarHBondContact O-N 3.26Å; Q1028-A1030 PolarHBondContact O-N 3.39Å; Q1028-S1031 PolarHBondContact O-N 2.94Å; Q1028-S1032 PolarHBondContact O-N 2.92Å; Q1028-S1032 VanDerWaalsContact O-N 3.07Å; Q1028-S1032 PolarHBondContact O-OG 3.29Å; Q1028-S1032 VanDerWaalsContact O-OG 3.05Å
1029R86.5Confident88.1Confident69 Ų6946.5 Ų46.526%0.2624%0.239SC..Hα-helixtrans-62.1-43.3178.1-64.9-178.1178.6-163.1-8.7111.7H990 W993 I1026 S1032 E1033H990-R1029 PolarHBondContact CE1-NH2 3.33Å; H990-R1029 PolarHBondContact ND1-NH1 2.93Å; H990-R1029 PolarHBondContact ND1-NH2 3.4Å; W993-R1029 HydrophobicContact CD2-CB 4.48Å; W993-R1029 HydrophobicContact CH2-CB 4.44Å; W993-R1029 HydrophobicContact CZ2-CB 3.7Å; I1026-R1029 PolarHBondContact O-N 3.04Å; R1029-S1032 PolarHBondContact O-N 2.83Å; R1029-S1032 PolarHBondContact O-OG 3.26Å; R1029-E1033 VanDerWaalsContact O-CB 3.25Å; R1029-E1033 WeakPolarHBondContact O-CB 3.33Å; R1029-E1033 PolarHBondContact O-N 3.44Å
1030A86.2Confident88.1Confident0 Ų051.1 Ų51.10%026%0.263CS..Iπ-helixtrans-65.3-43.7179.800000111.5W993 I1026 R1027 Q1028 S1032 I1034 I1035 M1079W993-A1030 HydrophobicContact CH2-CB 3.99Å; I1026-A1030 VanDerWaalsContact O-CB 3.27Å; I1026-A1030 WeakPolarHBondContact O-CB 3.35Å; I1026-A1030 PolarHBondContact O-N 2.91Å; R1027-A1030 PolarHBondContact O-N 3.1Å; Q1028-A1030 PolarHBondContact O-N 3.39Å; A1030-S1032 VanDerWaalsContact C-N 3.29Å; A1030-S1032 PolarHBondContact O-N 3.15Å; A1030-I1034 HydrophobicContact CB-CG2 3.87Å; A1030-I1034 WeakPolarHBondContact O-CG2 3.49Å; A1030-I1034 PolarHBondContact O-N 3.12Å; A1030-I1035 WeakPolarHBondContact O-CG1 3.37Å; A1030-I1035 PolarHBondContact O-N 3.3Å; A1030-M1079 HydrophobicContact CB-CE 3.75Å; A1030-M1079 HydrophobicContact CB-SD 3.17Å; A1030-M1079 WeakPolarHBondContact CB-SD 3.44Å
1031S86.4Confident88Confident30 Ų3050.9 Ų50.921%0.2126%0.262CS..Iπ-helixtrans-58.7-40.2176.2-167.90000112.1R1027 Q1028 P1036R1027-S1031 WeakPolarHBondContact O-CB 3.29Å; R1027-S1031 PolarHBondContact O-N 2.64Å; Q1028-S1031 PolarHBondContact O-N 2.94Å; S1031-P1036 WeakPolarHBondContact O-CD 3.29Å
1032S86.9Confident88Confident70 Ų7050.1 Ų50.149%0.4926%0.258SS..Iπ-helixtrans-84.8-37.5-178.655.70000114.8Q1028 R1029 A1030Q1028-S1032 PolarHBondContact O-N 2.92Å; Q1028-S1032 VanDerWaalsContact O-N 3.07Å; Q1028-S1032 PolarHBondContact O-OG 3.29Å; Q1028-S1032 VanDerWaalsContact O-OG 3.05Å; R1029-S1032 PolarHBondContact O-N 2.83Å; R1029-S1032 PolarHBondContact O-OG 3.26Å; A1030-S1032 VanDerWaalsContact C-N 3.29Å; A1030-S1032 PolarHBondContact O-N 3.15Å
1033E88.8Confident88.2Confident88 Ų8851.6 Ų51.641%0.41127%0.266SS..Iπ-helixtrans-106.9-36.6-165.1-63.3173-13600114W993 R1029 P1037W993-E1033 HydrophobicContact CZ2-CB 4.33Å; W993-E1033 PolarHBondContact NE1-OE2 2.95Å; R1029-E1033 VanDerWaalsContact O-CB 3.25Å; R1029-E1033 WeakPolarHBondContact O-CB 3.33Å; R1029-E1033 PolarHBondContact O-N 3.44Å; E1033-P1037 WeakPolarHBondContact O-CD 3.44Å; E1033-P1037 WeakPolarHBondContact O-CG 3.5Å
1034I88.3Confident88.4Confident3 Ų359.4 Ų59.42%0.01529%0.29CS..Iπ-helixtrans-107.7-39.6-174.2-163.954.7000113.6W993 M997 F1000 L1015 A1030 P1037 L1038W993-I1034 HydrophobicContact CH2-CG2 4.17Å; M997-I1034 HydrophobicContact CE-CB 4.49Å; M997-I1034 HydrophobicContact SD-CB 3.94Å; M997-I1034 HydrophobicContact SD-CD1 4.08Å; M997-I1034 HydrophobicContact SD-CG1 4.3Å; F1000-I1034 HydrophobicContact CB-CD1 4.29Å; F1000-I1034 HydrophobicContact CD1-CD1 3.9Å; F1000-I1034 HydrophobicContact CD2-CD1 3.5Å; F1000-I1034 HydrophobicContact CD2-CG1 4.5Å; F1000-I1034 HydrophobicContact CE1-CD1 4.09Å; F1000-I1034 HydrophobicContact CE2-CD1 3.69Å; F1000-I1034 HydrophobicContact CE2-CG1 4.24Å; F1000-I1034 HydrophobicContact CG-CD1 3.61Å; F1000-I1034 HydrophobicContact CZ-CD1 3.99Å; F1000-I1034 HydrophobicContact CZ-CG1 4.37Å; L1015-I1034 HydrophobicContact CD2-CG1 3.95Å; L1015-I1034 HydrophobicContact CD2-CG2 4.46Å; A1030-I1034 HydrophobicContact CB-CG2 3.87Å; A1030-I1034 WeakPolarHBondContact O-CG2 3.49Å; A1030-I1034 PolarHBondContact O-N 3.12Å; I1034-P1037 VanDerWaalsContact O-CD 3.29Å; I1034-P1037 WeakPolarHBondContact O-CD 3.41Å; I1034-L1038 HydrophobicContact CD1-CD1 4.48Å; I1034-L1038 HydrophobicContact CD1-CD2 4.4Å; I1034-L1038 HydrophobicContact CD1-CG 4.18Å; I1034-L1038 HydrophobicContact CG1-CD1 3.85Å; I1034-L1038 HydrophobicContact CG1-CG 4.03Å; I1034-L1038 WeakPolarHBondContact O-CG 3.48Å; I1034-L1038 PolarHBondContact O-N 2.91Å; I1034-L1038 VanDerWaalsContact O-N 3.08Å
1035I90Very high88.6Confident5 Ų555.1 Ų55.13%0.02627%0.268CS..Hα-helixtrans-58.9-46.4-178.9-66-65000111.8A1030 L1038 V1039 M1079 L1081 V1089A1030-I1035 WeakPolarHBondContact O-CG1 3.37Å; A1030-I1035 PolarHBondContact O-N 3.3Å; I1035-L1038 PolarHBondContact O-N 2.76Å; I1035-V1039 HydrophobicContact CG2-CG2 4.09Å; I1035-V1039 WeakPolarHBondContact O-CG2 3.5Å; I1035-V1039 PolarHBondContact O-N 2.9Å; I1035-M1079 HydrophobicContact CD1-CE 4.13Å; I1035-L1081 HydrophobicContact CD1-CD1 4.06Å; I1035-L1081 HydrophobicContact CG1-CD1 4Å; I1035-V1089 HydrophobicContact CG2-CG2 3.66Å
1036P90.4Very high88.7Confident54 Ų5450.7 Ų50.735%0.35125%0.249SC..Hα-helixtrans-62.6-46.7-178.4-17.529.7000113.3S1031 L1038 V1039 L1040S1031-P1036 WeakPolarHBondContact O-CD 3.29Å; P1036-L1038 VanDerWaalsContact C-N 3.34Å; P1036-L1038 PolarHBondContact O-N 2.89Å; P1036-V1039 PolarHBondContact O-N 3.28Å; P1036-L1040 WeakPolarHBondContact O-CB 3.44Å; P1036-L1040 VanDerWaalsContact O-CG 3.27Å; P1036-L1040 WeakPolarHBondContact O-CG 3.24Å; P1036-L1040 PolarHBondContact O-N 3.05Å
1037P87.7Confident88.8Confident47 Ų4756 Ų5631%0.30528%0.277SS..Hα-helixtrans-58.5-39.8172.1-28.236.1000114.4E1033 I1034 L1040 F1041E1033-P1037 WeakPolarHBondContact O-CD 3.44Å; E1033-P1037 WeakPolarHBondContact O-CG 3.5Å; I1034-P1037 VanDerWaalsContact O-CD 3.29Å; I1034-P1037 WeakPolarHBondContact O-CD 3.41Å; P1037-L1040 PolarHBondContact O-N 3.49Å; P1037-F1041 WeakPolarHBondContact O-CB 3.35Å; P1037-F1041 PolarHBondContact O-N 3.48Å
1038L88.3Confident88.8Confident7 Ų755.5 Ų55.54%0.03729%0.286CS..Hα-helixtrans-65.4-44.2177.8-68.1-178000112.1F1012 I1034 I1035 P1036 F1041 L1042 L1068 L1075F1012-L1038 HydrophobicContact CE1-CD1 4.11Å; F1012-L1038 HydrophobicContact CE1-CD2 3.4Å; F1012-L1038 HydrophobicContact CE1-CG 4.4Å; F1012-L1038 HydrophobicContact CZ-CD2 3.27Å; I1034-L1038 HydrophobicContact CD1-CD1 4.48Å; I1034-L1038 HydrophobicContact CD1-CD2 4.4Å; I1034-L1038 HydrophobicContact CD1-CG 4.18Å; I1034-L1038 HydrophobicContact CG1-CD1 3.85Å; I1034-L1038 HydrophobicContact CG1-CG 4.03Å; I1034-L1038 WeakPolarHBondContact O-CG 3.48Å; I1034-L1038 PolarHBondContact O-N 2.91Å; I1034-L1038 VanDerWaalsContact O-N 3.08Å; I1035-L1038 PolarHBondContact O-N 2.76Å; P1036-L1038 VanDerWaalsContact C-N 3.34Å; P1036-L1038 PolarHBondContact O-N 2.89Å; L1038-F1041 PolarHBondContact O-N 3.04Å; L1038-L1042 WeakPolarHBondContact O-CB 3.37Å; L1038-L1042 WeakPolarHBondContact O-CG 3.22Å; L1038-L1042 PolarHBondContact O-N 3.46Å; L1038-L1068 HydrophobicContact CD1-CD1 4.18Å; L1038-L1068 HydrophobicContact CD2-CD1 3.99Å; L1038-L1068 HydrophobicContact CD2-CD2 4.02Å; L1038-L1068 HydrophobicContact CG-CD1 4.48Å; L1038-L1075 HydrophobicContact CD1-CD2 4.29Å
1039V91.4Very high88.9Confident16 Ų1648.5 Ų48.510%0.09725%0.253CS..Hα-helixtrans-61-47.1174.4171.80000109.8I1035 P1036 F1041 L1042 T1043 P1088 V1089 V1092I1035-V1039 HydrophobicContact CG2-CG2 4.09Å; I1035-V1039 WeakPolarHBondContact O-CG2 3.5Å; I1035-V1039 PolarHBondContact O-N 2.9Å; P1036-V1039 PolarHBondContact O-N 3.28Å; V1039-F1041 VanDerWaalsContact C-N 3.34Å; V1039-F1041 PolarHBondContact O-N 2.67Å; V1039-L1042 PolarHBondContact O-N 3.2Å; V1039-T1043 WeakPolarHBondContact O-CB 3.43Å; V1039-T1043 PolarHBondContact O-N 3.34Å; V1039-T1043 PolarHBondContact O-OG1 3.32Å; V1039-P1088 HydrophobicContact CG1-CB 4.22Å; V1039-P1088 HydrophobicContact CG2-CB 4.22Å; V1039-V1089 HydrophobicContact CG2-CG2 4.07Å; V1039-V1092 HydrophobicContact CB-CG1 4.41Å; V1039-V1092 HydrophobicContact CG1-CB 4.06Å; V1039-V1092 HydrophobicContact CG1-CG1 4.03Å; V1039-V1092 HydrophobicContact CG2-CG1 4.1Å
1040L90Very high88.9Confident98 Ų9846.7 Ų46.751%0.51325%0.253SS..Hα-helixtrans-60.2-41.5177.8-73.2170.8000112.7P1036 P1037 T1043 R1044P1036-L1040 WeakPolarHBondContact O-CB 3.44Å; P1036-L1040 VanDerWaalsContact O-CG 3.27Å; P1036-L1040 WeakPolarHBondContact O-CG 3.24Å; P1036-L1040 PolarHBondContact O-N 3.05Å; P1037-L1040 PolarHBondContact O-N 3.49Å; L1040-T1043 PolarHBondContact O-N 3.27Å; L1040-R1044 WeakPolarHBondContact O-CG 3.33Å; L1040-R1044 PolarHBondContact O-N 3.47Å
1041F87.6Confident88.6Confident94 Ų9451.8 Ų51.841%0.41229%0.288SS..Hα-helixtrans-62.5-46.7175.7176.9-91.1000111.5P1037 L1038 V1039 R1044 G1045 V1064 Q1065 L1068P1037-F1041 WeakPolarHBondContact O-CB 3.35Å; P1037-F1041 PolarHBondContact O-N 3.48Å; L1038-F1041 PolarHBondContact O-N 3.04Å; V1039-F1041 VanDerWaalsContact C-N 3.34Å; V1039-F1041 PolarHBondContact O-N 2.67Å; F1041-R1044 PolarHBondContact O-N 3.05Å; F1041-G1045 PolarHBondContact O-N 3.5Å; F1041-V1064 HydrophobicContact CE1-CG1 4Å; F1041-V1064 HydrophobicContact CZ-CG1 3.86Å; F1041-Q1065 HydrophobicContact CE1-CG 4.24Å; F1041-L1068 HydrophobicContact CD1-CD2 3.74Å; F1041-L1068 HydrophobicContact CE1-CD2 4.27Å
1042L91.9Very high88.4Confident0 Ų052 Ų520%029%0.292CS..Hα-helixtrans-65.4-39.4176.8-76.3179.5000112.1L1038 V1039 G1045 A1046 L1068 L1069 I1072 V1092 Y1096L1038-L1042 WeakPolarHBondContact O-CB 3.37Å; L1038-L1042 WeakPolarHBondContact O-CG 3.22Å; L1038-L1042 PolarHBondContact O-N 3.46Å; V1039-L1042 PolarHBondContact O-N 3.2Å; L1042-G1045 CarbonylContact O-C 3.54Å; L1042-G1045 PolarHBondContact O-N 3.22Å; L1042-A1046 WeakPolarHBondContact O-CB 3.4Å; L1042-A1046 PolarHBondContact O-N 2.81Å; L1042-L1068 HydrophobicContact CD1-CD2 4.11Å; L1042-L1068 HydrophobicContact CD1-CG 4.02Å; L1042-L1068 HydrophobicContact CD2-CB 4.21Å; L1042-L1068 HydrophobicContact CD2-CD2 3.7Å; L1042-L1068 HydrophobicContact CD2-CG 3.91Å; L1042-L1068 HydrophobicContact CG-CD2 3.59Å; L1042-L1068 HydrophobicContact CG-CG 3.98Å; L1042-L1069 HydrophobicContact CD1-CD2 3.98Å; L1042-L1069 HydrophobicContact CD2-CD2 3.92Å; L1042-L1069 HydrophobicContact CD2-CG 3.88Å; L1042-I1072 HydrophobicContact CD1-CD1 4.03Å; L1042-V1092 HydrophobicContact CB-CG1 4.37Å; L1042-V1092 HydrophobicContact CB-CG2 3.47Å; L1042-V1092 VanDerWaalsContact CB-CG2 3.47Å; L1042-V1092 HydrophobicContact CD1-CG1 4.15Å; L1042-Y1096 HydrophobicContact CB-CE2 4.05Å; L1042-Y1096 HydrophobicContact CD2-CE2 4.04Å; L1042-Y1096 WeakPolarHBondContact O-CE2 3.47Å; L1042-Y1096 PolarHBondContact O-OH 3.25Å
1043T93.7Very high88.2Confident43 Ų4352.2 Ų52.226%0.26429%0.294SS..Hα-helixtrans-63.1-45177-60.10000111.1V1039 L1040 G1045 A1046 N1047 V1092 M1095V1039-T1043 WeakPolarHBondContact O-CB 3.43Å; V1039-T1043 PolarHBondContact O-N 3.34Å; V1039-T1043 PolarHBondContact O-OG1 3.32Å; L1040-T1043 PolarHBondContact O-N 3.27Å; T1043-G1045 VanDerWaalsContact C-N 3.33Å; T1043-A1046 PolarHBondContact O-N 3.49Å; T1043-N1047 PolarHBondContact O-N 2.89Å; T1043-V1092 WeakPolarHBondContact OG1-CG2 3.46Å; T1043-M1095 HydrophobicContact CG2-CE 4.33Å; T1043-M1095 HydrophobicContact CG2-SD 4.03Å
1044R89.6Confident87.8Confident182 Ų18257.1 Ų57.169%0.68731%0.314SS*.Hα-helixtrans-64.3-41.6173.3-70.5174.8-179.5174.21.1111.3L1040 F1041 A1046 N1047 V1048L1040-R1044 WeakPolarHBondContact O-CG 3.33Å; L1040-R1044 PolarHBondContact O-N 3.47Å; F1041-R1044 PolarHBondContact O-N 3.05Å; R1044-A1046 VanDerWaalsContact C-N 3.33Å; R1044-A1046 PolarHBondContact O-N 2.88Å; R1044-N1047 PolarHBondContact O-N 3.18Å; R1044-V1048 PolarHBondContact O-N 2.91Å
1045G88.5Confident87.6Confident6 Ų660.2 Ų60.26%0.06234%0.336CS..Hα-helixtrans-59.3-42.8177.700000112.5F1041 L1042 T1043 N1047 V1048 S1049 Q1065 Y1096F1041-G1045 PolarHBondContact O-N 3.5Å; L1042-G1045 CarbonylContact O-C 3.54Å; L1042-G1045 PolarHBondContact O-N 3.22Å; T1043-G1045 VanDerWaalsContact C-N 3.33Å; G1045-N1047 VanDerWaalsContact C-N 3.32Å; G1045-N1047 PolarHBondContact O-N 2.89Å; G1045-V1048 PolarHBondContact O-N 3.04Å; G1045-V1048 VanDerWaalsContact O-N 3.08Å; G1045-S1049 PolarHBondContact O-N 3.21Å; G1045-S1049 PolarHBondContact O-OG 3.35Å; G1045-Q1065 PolarHBondContact O-NE2 3.14Å; G1045-Y1096 VanDerWaalsContact C-OH 3.24Å
1046A90.2Very high87.4Confident1 Ų160.7 Ų60.71%0.00834%0.337CS..Hα-helixtrans-60-42.3178.700000111.1L1042 T1043 R1044 V1048 S1049 A1050 M1095 Y1096 Q1101L1042-A1046 WeakPolarHBondContact O-CB 3.4Å; L1042-A1046 PolarHBondContact O-N 2.81Å; T1043-A1046 PolarHBondContact O-N 3.49Å; R1044-A1046 VanDerWaalsContact C-N 3.33Å; R1044-A1046 PolarHBondContact O-N 2.88Å; A1046-V1048 PolarHBondContact O-N 3.12Å; A1046-S1049 WeakPolarHBondContact CA-OG 3.35Å; A1046-S1049 PolarHBondContact O-N 3.39Å; A1046-S1049 PolarHBondContact O-OG 2.71Å; A1046-A1050 WeakPolarHBondContact O-CB 3.31Å; A1046-A1050 PolarHBondContact O-N 2.92Å; A1046-M1095 HydrophobicContact CB-CB 4.27Å; A1046-M1095 HydrophobicContact CB-CE 4.31Å; A1046-Y1096 HydrophobicContact CB-CD2 4.2Å; A1046-Y1096 HydrophobicContact CB-CE1 4.23Å; A1046-Y1096 HydrophobicContact CB-CE2 3.71Å; A1046-Y1096 PolarHBondContact N-OH 3.39Å; A1046-Q1101 PolarHBondContact O-NE2 3.38Å
1047N88.5Confident87.1Confident111 Ų11163 Ų6359%0.59434%0.342SS*.Hα-helixtrans-65.6-29.2177.7-63.5-15.4000112.6T1043 R1044 G1045T1043-N1047 PolarHBondContact O-N 2.89Å; R1044-N1047 PolarHBondContact O-N 3.18Å; G1045-N1047 VanDerWaalsContact C-N 3.32Å; G1045-N1047 PolarHBondContact O-N 2.89Å
1048V87Confident86.9Confident94 Ų9468 Ų6857%0.5736%0.355SS*.Hα-helixtrans-83.4-38178.6175.60000111.8R1044 G1045 A1046 Y1056R1044-V1048 PolarHBondContact O-N 2.91Å; G1045-V1048 PolarHBondContact O-N 3.04Å; G1045-V1048 VanDerWaalsContact O-N 3.08Å; A1046-V1048 PolarHBondContact O-N 3.12Å; V1048-Y1056 HydrophobicContact CG1-CE2 4.2Å
1049S88.7Confident86.7Confident0 Ų072 Ų720%038%0.376CS..Hα-helixtrans-79.6-21.917953.40000112.8G1045 A1046 S1051 A1052 Q1065 Q1101G1045-S1049 PolarHBondContact O-N 3.21Å; G1045-S1049 PolarHBondContact O-OG 3.35Å; A1046-S1049 WeakPolarHBondContact CA-OG 3.35Å; A1046-S1049 PolarHBondContact O-N 3.39Å; A1046-S1049 PolarHBondContact O-OG 2.71Å; S1049-S1051 PolarHBondContact O-N 3.15Å; S1049-A1052 VanDerWaalsContact O-CB 3.28Å; S1049-A1052 WeakPolarHBondContact O-CB 3.18Å; S1049-A1052 PolarHBondContact O-N 3.43Å; S1049-A1052 VanDerWaalsContact O-N 3.14Å; S1049-Q1065 PolarHBondContact OG-OE1 3.34Å; S1049-Q1101 VanDerWaalsContact CB-OE1 3.27Å; S1049-Q1101 PolarHBondContact OG-OE1 2.73Å
1050A85.8Confident85.9Confident32 Ų3274.7 Ų74.726%0.26439%0.393SS..THydrogen-bonded Turntrans-58.2124.4172.900000110.4A1046 A1052A1046-A1050 WeakPolarHBondContact O-CB 3.31Å; A1046-A1050 PolarHBondContact O-N 2.92Å; A1050-A1052 PolarHBondContact O-N 3.32Å; A1050-A1052 VanDerWaalsContact O-N 3.09Å
1051S80.4Confident85.5Confident106 Ų10672.2 Ų72.274%0.74138%0.384SS*.THydrogen-bonded Turntrans59.417.4-179-54.10000114.3S1049 S1100S1049-S1051 PolarHBondContact O-N 3.15Å; S1051-S1100 PolarHBondContact N-O 3Å
1052A82.8Confident85.5Confident34 Ų3469.1 Ų69.128%0.28137%0.37SS..  trans-66.6144.3176.400000110.9S1049 A1050 Y1056S1049-A1052 VanDerWaalsContact O-CB 3.28Å; S1049-A1052 WeakPolarHBondContact O-CB 3.18Å; S1049-A1052 PolarHBondContact O-N 3.43Å; S1049-A1052 VanDerWaalsContact O-N 3.14Å; A1050-A1052 PolarHBondContact O-N 3.32Å; A1050-A1052 VanDerWaalsContact O-N 3.09Å; A1052-Y1056 HydrophobicContact CB-CD1 4.12Å; A1052-Y1056 HydrophobicContact CB-CD2 3.88Å; A1052-Y1056 HydrophobicContact CB-CG 3.63Å
1053S81.6Confident85.1Confident76 Ų7673.5 Ų73.553%0.53139%0.386SS..  trans-62.1161179.975.40000112.1S1055 Y1056S1053-S1055 PolarHBondContact O-N 3.46Å; S1053-S1055 PolarHBondContact OG-N 3.39Å; S1053-S1055 PolarHBondContact OG-OG 3.42Å; S1053-Y1056 WeakPolarHBondContact O-CB 3.5Å; S1053-Y1056 PolarHBondContact O-N 3.34Å
1054K81.7Confident84.5Confident190 Ų19072.9 Ų72.983%0.82638%0.382SS*.G310 helixtrans-55.6-18.4176.4-68.5-176.9179.4178.70114Y1056 K1057K1054-Y1056 VanDerWaalsContact C-N 3.32Å; K1054-K1057 WeakPolarHBondContact O-CD 3.44Å; K1054-K1057 WeakPolarHBondContact O-CE 3.32Å; K1054-K1057 VanDerWaalsContact O-CG 3.27Å; K1054-K1057 WeakPolarHBondContact O-CG 3.29Å
1055S82.9Confident84.4Confident69 Ų6964.5 Ų64.548%0.48335%0.351SS..G310 helixtrans-73.2-21.5175.170.60000113.4S1053 K1057 Y1058S1053-S1055 PolarHBondContact O-N 3.46Å; S1053-S1055 PolarHBondContact OG-N 3.39Å; S1053-S1055 PolarHBondContact OG-OG 3.42Å; S1055-K1057 PolarHBondContact O-N 3.01Å; S1055-K1057 VanDerWaalsContact O-N 3.09Å; S1055-Y1058 WeakPolarHBondContact O-CD2 3.4Å; S1055-Y1058 PolarHBondContact O-N 2.9Å
1056Y86.1Confident84.5Confident14 Ų1468.1 Ų68.16%0.05537%0.365CS..G310 helixtrans-55-32179.9-173.1-104.2000112.8V1048 A1052 S1053 K1054 Y1058 L1059 S1061 Y1062 Q1065 P1102V1048-Y1056 HydrophobicContact CG1-CE2 4.2Å; A1052-Y1056 HydrophobicContact CB-CD1 4.12Å; A1052-Y1056 HydrophobicContact CB-CD2 3.88Å; A1052-Y1056 HydrophobicContact CB-CG 3.63Å; S1053-Y1056 WeakPolarHBondContact O-CB 3.5Å; S1053-Y1056 PolarHBondContact O-N 3.34Å; K1054-Y1056 VanDerWaalsContact C-N 3.32Å; Y1056-Y1058 PolarHBondContact O-N 3.48Å; Y1056-L1059 HydrophobicContact CD2-CD1 3.65Å; Y1056-L1059 HydrophobicContact CE2-CD1 4.08Å; Y1056-L1059 WeakPolarHBondContact O-CB 3.41Å; Y1056-L1059 PolarHBondContact O-N 3.36Å; Y1056-S1061 VanDerWaalsContact CE2-OG 3.3Å; Y1056-S1061 WeakPolarHBondContact CE2-OG 3.46Å; Y1056-S1061 WeakPolarHBondContact OH-CB 3.48Å; Y1056-S1061 PolarHBondContact OH-OG 3.25Å; Y1056-Y1062 AromaticContact CD1-CD2 3.79Å; Y1056-Y1062 HydrophobicContact CD1-CD2 3.79Å; Y1056-Y1062 HydrophobicContact CD1-CG 4.22Å; Y1056-Y1062 AromaticContact CE1-CD2 3.93Å; Y1056-Y1062 HydrophobicContact CE1-CD2 3.93Å; Y1056-Y1062 HydrophobicContact CE1-CG 4.28Å; Y1056-Y1062 WeakPolarHBondContact O-CB 3.43Å; Y1056-Q1065 PolarHBondContact OH-NE2 3.02Å; Y1056-P1102 HydrophobicContact CD1-CG 4.17Å
1057K85.1Confident84.3Confident103 Ų10373 Ų7345%0.44838%0.384SS..G310 helixtrans-59.4-18.9177.775.8-169.5178.5171.60114.5K1054 S1055 Y1062K1054-K1057 WeakPolarHBondContact O-CD 3.44Å; K1054-K1057 WeakPolarHBondContact O-CE 3.32Å; K1054-K1057 VanDerWaalsContact O-CG 3.27Å; K1054-K1057 WeakPolarHBondContact O-CG 3.29Å; S1055-K1057 PolarHBondContact O-N 3.01Å; S1055-K1057 VanDerWaalsContact O-N 3.09Å; K1057-Y1062 HydrophobicContact CB-CD1 4.24Å; K1057-Y1062 HydrophobicContact CB-CE1 4.04Å; K1057-Y1062 HydrophobicContact CB-CE2 4.42Å; K1057-Y1062 WeakPolarHBondContact O-CD1 3.41Å
1058Y84.1Confident84.3Confident151 Ų15167.9 Ų67.959%0.59236%0.356SS*.G310 helixtrans-94.4-4.1177.8-57.9-70.3000113.2S1055 Y1056S1055-Y1058 WeakPolarHBondContact O-CD2 3.4Å; S1055-Y1058 PolarHBondContact O-N 2.9Å; Y1056-Y1058 PolarHBondContact O-N 3.48Å
1059L84.2Confident84.6Confident91 Ų9163.4 Ų63.448%0.47633%0.329SS..SBendtrans-84.2149.2179.6-60.1-178.6000112Y1056 S1061 Y1062 R1063Y1056-L1059 HydrophobicContact CD2-CD1 3.65Å; Y1056-L1059 HydrophobicContact CE2-CD1 4.08Å; Y1056-L1059 WeakPolarHBondContact O-CB 3.41Å; Y1056-L1059 PolarHBondContact O-N 3.36Å; L1059-S1061 PolarHBondContact O-N 3.23Å; L1059-Y1062 PolarHBondContact O-N 3.06Å; L1059-R1063 PolarHBondContact O-N 3.44Å
1060T74.4Confident84.7Confident73 Ų7368.9 Ų68.945%0.44835%0.353SS..Hα-helixtrans-57.3-35.2174.6-55.40000112Y1062 R1063 V1064T1060-Y1062 PolarHBondContact O-N 2.84Å; T1060-R1063 PolarHBondContact O-N 2.99Å; T1060-V1064 HydrophobicContact CG2-CG2 4.26Å; T1060-V1064 WeakPolarHBondContact O-CG2 3.32Å; T1060-V1064 PolarHBondContact O-N 3.38Å
1061S81.1Confident84.8Confident46 Ų4668.9 Ų68.932%0.32235%0.347SS..Hα-helixtrans-59.9-46.1177.455.10000112.5Y1056 L1059 R1063 V1064 Q1065Y1056-S1061 VanDerWaalsContact CE2-OG 3.3Å; Y1056-S1061 WeakPolarHBondContact CE2-OG 3.46Å; Y1056-S1061 WeakPolarHBondContact OH-CB 3.48Å; Y1056-S1061 PolarHBondContact OH-OG 3.25Å; L1059-S1061 PolarHBondContact O-N 3.23Å; S1061-R1063 PolarHBondContact O-N 2.83Å; S1061-V1064 PolarHBondContact O-N 3.17Å; S1061-Q1065 WeakPolarHBondContact O-CB 3.4Å; S1061-Q1065 VanDerWaalsContact O-CG 3.29Å; S1061-Q1065 WeakPolarHBondContact O-CG 3.44Å; S1061-Q1065 PolarHBondContact O-N 3Å
1062Y86.4Confident85.3Confident29 Ų2963.9 Ų63.911%0.11431%0.312CS..Hα-helixtrans-60.6-45175.2173.3-95.1000111.6Y1056 K1057 L1059 T1060 V1064 Q1065 K1066 P1102 G1104 L1105Y1056-Y1062 AromaticContact CD1-CD2 3.79Å; Y1056-Y1062 HydrophobicContact CD1-CD2 3.79Å; Y1056-Y1062 HydrophobicContact CD1-CG 4.22Å; Y1056-Y1062 AromaticContact CE1-CD2 3.93Å; Y1056-Y1062 HydrophobicContact CE1-CD2 3.93Å; Y1056-Y1062 HydrophobicContact CE1-CG 4.28Å; Y1056-Y1062 WeakPolarHBondContact O-CB 3.43Å; K1057-Y1062 HydrophobicContact CB-CD1 4.24Å; K1057-Y1062 HydrophobicContact CB-CE1 4.04Å; K1057-Y1062 HydrophobicContact CB-CE2 4.42Å; K1057-Y1062 WeakPolarHBondContact O-CD1 3.41Å; L1059-Y1062 PolarHBondContact O-N 3.06Å; T1060-Y1062 PolarHBondContact O-N 2.84Å; Y1062-V1064 PolarHBondContact O-N 3.47Å; Y1062-Q1065 PolarHBondContact O-N 3.35Å; Y1062-K1066 HydrophobicContact CE1-CD 4.05Å; Y1062-K1066 VanDerWaalsContact O-CB 3.25Å; Y1062-K1066 WeakPolarHBondContact O-CB 3.41Å; Y1062-K1066 PolarHBondContact O-N 3.42Å; Y1062-P1102 HydrophobicContact CD2-CB 4.47Å; Y1062-P1102 HydrophobicContact CD2-CG 4.43Å; Y1062-P1102 HydrophobicContact CE2-CB 3.87Å; Y1062-P1102 HydrophobicContact CE2-CG 4.31Å; Y1062-G1104 WeakPolarHBondContact OH-CA 3.32Å; Y1062-L1105 HydrophobicContact CD2-CD1 4Å; Y1062-L1105 HydrophobicContact CD2-CD2 3.7Å; Y1062-L1105 HydrophobicContact CD2-CG 3.82Å; Y1062-L1105 HydrophobicContact CE2-CD1 4.23Å; Y1062-L1105 HydrophobicContact CE2-CD2 3.57Å; Y1062-L1105 HydrophobicContact CE2-CG 3.57Å; Y1062-L1105 HydrophobicContact CG-CD2 4.45Å
1063R83.9Confident85.6Confident92 Ų9262.2 Ų62.235%0.34730%0.299SS..Hα-helixtrans-60.1-45.4179.4-174-179.967.684.70.9111.9E1009 L1059 T1060 S1061 R1067E1009-R1063 IonicContact OE1-CZ 3.68Å; E1009-R1063 IonicContact OE1-NH1 2.86Å; E1009-R1063 PolarHBondContact OE1-NH1 3.2Å; E1009-R1063 IonicContact OE2-CZ 2.79Å; E1009-R1063 VanDerWaalsContact OE2-CZ 3.29Å; E1009-R1063 IonicContact OE2-NH1 3.83Å; E1009-R1063 PolarHBondContact OE2-NH1 3.42Å; E1009-R1063 IonicContact OE2-NH2 2.68Å; E1009-R1063 PolarHBondContact OE2-NH2 3.46Å; L1059-R1063 PolarHBondContact O-N 3.44Å; T1060-R1063 PolarHBondContact O-N 2.99Å; S1061-R1063 PolarHBondContact O-N 2.83Å; R1063-R1067 WeakPolarHBondContact O-CB 3.13Å; R1063-R1067 PolarHBondContact O-N 3.2Å
1064V81.7Confident86Confident30 Ų3059.6 Ų59.618%0.18228%0.28CS..Hα-helixtrans-66.6-47.4178.4173.80000111F1041 T1060 S1061 Y1062 K1066 R1067 L1068F1041-V1064 HydrophobicContact CE1-CG1 4Å; F1041-V1064 HydrophobicContact CZ-CG1 3.86Å; T1060-V1064 HydrophobicContact CG2-CG2 4.26Å; T1060-V1064 WeakPolarHBondContact O-CG2 3.32Å; T1060-V1064 PolarHBondContact O-N 3.38Å; S1061-V1064 PolarHBondContact O-N 3.17Å; Y1062-V1064 PolarHBondContact O-N 3.47Å; V1064-K1066 PolarHBondContact O-N 3.11Å; V1064-R1067 PolarHBondContact O-N 2.66Å; V1064-L1068 WeakPolarHBondContact O-CB 3.22Å; V1064-L1068 PolarHBondContact O-N 2.92Å
1065Q88.4Confident86.3Confident6 Ų650.9 Ų50.93%0.02824%0.242CC..Hα-helixtrans-59.2-47176.5-72.9-17928.300111.7F1041 G1045 S1049 Y1056 S1061 Y1062 R1067 L1068 L1069 Y1096 L1105F1041-Q1065 HydrophobicContact CE1-CG 4.24Å; G1045-Q1065 PolarHBondContact O-NE2 3.14Å; S1049-Q1065 PolarHBondContact OG-OE1 3.34Å; Y1056-Q1065 PolarHBondContact OH-NE2 3.02Å; S1061-Q1065 WeakPolarHBondContact O-CB 3.4Å; S1061-Q1065 VanDerWaalsContact O-CG 3.29Å; S1061-Q1065 WeakPolarHBondContact O-CG 3.44Å; S1061-Q1065 PolarHBondContact O-N 3Å; Y1062-Q1065 PolarHBondContact O-N 3.35Å; Q1065-R1067 VanDerWaalsContact C-N 3.34Å; Q1065-R1067 PolarHBondContact O-N 3.15Å; Q1065-L1068 PolarHBondContact O-N 3.5Å; Q1065-L1069 WeakPolarHBondContact O-CB 3.31Å; Q1065-L1069 VanDerWaalsContact O-CG 3.28Å; Q1065-L1069 WeakPolarHBondContact O-CG 3.31Å; Q1065-L1069 PolarHBondContact O-N 3.08Å; Q1065-Y1096 VanDerWaalsContact CD-OH 3.24Å; Q1065-Y1096 PolarHBondContact OE1-OH 3.44Å; Q1065-L1105 HydrophobicContact CB-CD1 4.5Å; Q1065-L1105 HydrophobicContact CB-CD2 4.23Å
1066K90Very high86.6Confident82 Ų8247.6 Ų47.636%0.35722%0.219SC..Hα-helixtrans-59.5-44.4179.2-171.4176178.9179.70111.9Y1062 V1064 K1070 G1104 L1105 A1108Y1062-K1066 HydrophobicContact CE1-CD 4.05Å; Y1062-K1066 VanDerWaalsContact O-CB 3.25Å; Y1062-K1066 WeakPolarHBondContact O-CB 3.41Å; Y1062-K1066 PolarHBondContact O-N 3.42Å; V1064-K1066 PolarHBondContact O-N 3.11Å; K1066-K1070 WeakPolarHBondContact O-CB 3.23Å; K1066-K1070 PolarHBondContact O-N 3.35Å; K1066-K1070 VanDerWaalsContact O-N 3.1Å; K1066-G1104 WeakPolarHBondContact CE-O 3.48Å; K1066-L1105 HydrophobicContact CB-CD2 3.55Å; K1066-L1105 HydrophobicContact CG-CD2 4.18Å; K1066-A1108 HydrophobicContact CG-CB 4.18Å
1067R85.8Confident86.7Confident105 Ų10552.6 Ų52.640%0.39624%0.238SC..Hα-helixtrans-61.5-51.5176.6177.762167177.9-9.1110.3D1013 R1063 V1064 Q1065 L1069 K1070 E1071D1013-R1067 IonicContact OD1-NH2 3.34Å; D1013-R1067 PolarHBondContact OD1-NH2 2.9Å; R1063-R1067 WeakPolarHBondContact O-CB 3.13Å; R1063-R1067 PolarHBondContact O-N 3.2Å; V1064-R1067 PolarHBondContact O-N 2.66Å; Q1065-R1067 VanDerWaalsContact C-N 3.34Å; Q1065-R1067 PolarHBondContact O-N 3.15Å; R1067-L1069 PolarHBondContact O-N 2.92Å; R1067-K1070 PolarHBondContact O-N 2.89Å; R1067-K1070 VanDerWaalsContact O-N 3.09Å; R1067-E1071 HydrophobicContact CG-CG 4.37Å; R1067-E1071 IonicContact CZ-OE1 3.89Å; R1067-E1071 IonicContact NE-OE1 3.85Å; R1067-E1071 IonicContact NH1-OE1 3.9Å; R1067-E1071 PolarHBondContact NH1-OE1 3.07Å; R1067-E1071 WeakPolarHBondContact O-CG 3.43Å; R1067-E1071 PolarHBondContact O-N 2.91Å
1068L87.4Confident86.8Confident3 Ų350.5 Ų50.52%0.01623%0.23CC..Hα-helixtrans-60.4-44.9-179.4-179.953.3000112.3F1012 L1038 F1041 L1042 V1064 Q1065 K1070 E1071 I1072F1012-L1068 HydrophobicContact CD1-CD1 4.27Å; F1012-L1068 HydrophobicContact CE1-CD1 3.4Å; F1012-L1068 VanDerWaalsContact CE1-CD1 3.4Å; F1012-L1068 HydrophobicContact CE1-CG 4.49Å; F1012-L1068 HydrophobicContact CZ-CD1 3.74Å; F1012-L1068 HydrophobicContact CZ-CD2 4.14Å; F1012-L1068 HydrophobicContact CZ-CG 4.41Å; L1038-L1068 HydrophobicContact CD1-CD1 4.18Å; L1038-L1068 HydrophobicContact CD2-CD1 3.99Å; L1038-L1068 HydrophobicContact CD2-CD2 4.02Å; L1038-L1068 HydrophobicContact CG-CD1 4.48Å; F1041-L1068 HydrophobicContact CD1-CD2 3.74Å; F1041-L1068 HydrophobicContact CE1-CD2 4.27Å; L1042-L1068 HydrophobicContact CD1-CD2 4.11Å; L1042-L1068 HydrophobicContact CD1-CG 4.02Å; L1042-L1068 HydrophobicContact CD2-CB 4.21Å; L1042-L1068 HydrophobicContact CD2-CD2 3.7Å; L1042-L1068 HydrophobicContact CD2-CG 3.91Å; L1042-L1068 HydrophobicContact CG-CD2 3.59Å; L1042-L1068 HydrophobicContact CG-CG 3.98Å; V1064-L1068 WeakPolarHBondContact O-CB 3.22Å; V1064-L1068 PolarHBondContact O-N 2.92Å; Q1065-L1068 PolarHBondContact O-N 3.5Å; L1068-K1070 PolarHBondContact O-N 3.42Å; L1068-E1071 PolarHBondContact O-N 2.71Å; L1068-I1072 WeakPolarHBondContact O-CB 3.38Å; L1068-I1072 PolarHBondContact O-N 2.83Å
1069L93.9Very high86.7Confident0 Ų043.3 Ų43.30%020%0.202CC..Hα-helixtrans-59.5-34.9175.6-74.6170000112.6L1042 Q1065 R1067 L1093 Y1096 L1105 A1108 S1112L1042-L1069 HydrophobicContact CD1-CD2 3.98Å; L1042-L1069 HydrophobicContact CD2-CD2 3.92Å; L1042-L1069 HydrophobicContact CD2-CG 3.88Å; Q1065-L1069 WeakPolarHBondContact O-CB 3.31Å; Q1065-L1069 VanDerWaalsContact O-CG 3.28Å; Q1065-L1069 WeakPolarHBondContact O-CG 3.31Å; Q1065-L1069 PolarHBondContact O-N 3.08Å; R1067-L1069 PolarHBondContact O-N 2.92Å; L1069-L1093 HydrophobicContact CD2-CD2 3.75Å; L1069-Y1096 HydrophobicContact CD1-CD1 3.6Å; L1069-Y1096 HydrophobicContact CD1-CD2 4.05Å; L1069-Y1096 HydrophobicContact CD1-CE1 3.78Å; L1069-Y1096 HydrophobicContact CD1-CE2 4.18Å; L1069-Y1096 HydrophobicContact CD1-CG 3.7Å; L1069-Y1096 HydrophobicContact CD2-CD2 3.55Å; L1069-Y1096 HydrophobicContact CD2-CE2 3.88Å; L1069-Y1096 HydrophobicContact CD2-CG 3.9Å; L1069-Y1096 HydrophobicContact CG-CD2 4.35Å; L1069-Y1096 HydrophobicContact CG-CE2 4.41Å; L1069-Y1096 HydrophobicContact CG-CG 4.44Å; L1069-L1105 HydrophobicContact CD1-CB 3.83Å; L1069-L1105 HydrophobicContact CD1-CD2 4.16Å; L1069-L1105 HydrophobicContact CD1-CG 4.44Å; L1069-A1108 HydrophobicContact CB-CB 3.71Å; L1069-S1112 VanDerWaalsContact O-CB 3.28Å; L1069-S1112 WeakPolarHBondContact O-CB 3.37Å; L1069-S1112 PolarHBondContact O-OG 2.86Å
1070K91.3Very high86.6Confident115 Ų11539.7 Ų39.750%0.519%0.186SC..Hα-helixtrans-77.9-31.5179.1-168.8176.6178.4-177.20112.9K1066 R1067 L1068 P1074 A1108K1066-K1070 WeakPolarHBondContact O-CB 3.23Å; K1066-K1070 PolarHBondContact O-N 3.35Å; K1066-K1070 VanDerWaalsContact O-N 3.1Å; R1067-K1070 PolarHBondContact O-N 2.89Å; R1067-K1070 VanDerWaalsContact O-N 3.09Å; L1068-K1070 PolarHBondContact O-N 3.42Å; K1070-P1074 VanDerWaalsContact O-CD 3.25Å; K1070-P1074 WeakPolarHBondContact O-CD 3.42Å; K1070-P1074 WeakPolarHBondContact O-CG 3.31Å; K1070-A1108 HydrophobicContact CB-CB 4.19Å
1071E87Confident87.1Confident32 Ų3236.3 Ų36.315%0.1517%0.165CC..Hα-helixtrans-92.2-22.8-175.8-61.8-57.5140.800113.8R1067 L1068 G1073 P1074 L1075R1067-E1071 HydrophobicContact CG-CG 4.37Å; R1067-E1071 IonicContact CZ-OE1 3.89Å; R1067-E1071 IonicContact NE-OE1 3.85Å; R1067-E1071 IonicContact NH1-OE1 3.9Å; R1067-E1071 PolarHBondContact NH1-OE1 3.07Å; R1067-E1071 WeakPolarHBondContact O-CG 3.43Å; R1067-E1071 PolarHBondContact O-N 2.91Å; L1068-E1071 PolarHBondContact O-N 2.71Å; E1071-G1073 PolarHBondContact O-N 3.38Å; E1071-P1074 VanDerWaalsContact O-CD 3.28Å; E1071-P1074 WeakPolarHBondContact O-CD 3.35Å; E1071-L1075 WeakPolarHBondContact O-CB 3.27Å; E1071-L1075 PolarHBondContact O-N 3.33Å
1072I90.7Very high87.2Confident0 Ų038.2 Ų38.20%017%0.172CC..Hα-helixtrans-64.7-37.2-175.4-161.5163.8000112.9L1042 L1068 L1075 C1076 V1089 L1093L1042-I1072 HydrophobicContact CD1-CD1 4.03Å; L1068-I1072 WeakPolarHBondContact O-CB 3.38Å; L1068-I1072 PolarHBondContact O-N 2.83Å; I1072-L1075 WeakPolarHBondContact O-CB 3.23Å; I1072-L1075 PolarHBondContact O-N 3.4Å; I1072-C1076 WeakPolarHBondContact O-CB 3.48Å; I1072-C1076 PolarHBondContact O-N 3.43Å; I1072-C1076 PolarHBondContact O-SG 2.93Å; I1072-V1089 HydrophobicContact CD1-CG1 3.93Å; I1072-V1089 HydrophobicContact CG1-CG1 3.97Å; I1072-V1089 HydrophobicContact CG2-CG1 4.48Å; I1072-L1093 HydrophobicContact CG2-CD1 4.44Å; I1072-L1093 HydrophobicContact CG2-CD2 3.89Å
1073G91Very high87Confident0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-62.5-56.1174.200000112.8E1071 L1075 C1076 R1077 S1112 I1115E1071-G1073 PolarHBondContact O-N 3.38Å; G1073-L1075 PolarHBondContact O-N 3.33Å; G1073-C1076 PolarHBondContact O-N 3.04Å; G1073-R1077 PolarHBondContact O-N 3.47Å; G1073-S1112 WeakPolarHBondContact CA-OG 3.46Å; G1073-S1112 PolarHBondContact N-OG 2.95Å; G1073-I1115 WeakPolarHBondContact O-CG2 3.48Å
1074P89.6Confident87Confident21 Ų2142 Ų4214%0.13620%0.201CC..Hα-helixtrans-50.2-43.8171.5-2629.7000113.4K1070 E1071 R1077 Q1078 I1115K1070-P1074 VanDerWaalsContact O-CD 3.25Å; K1070-P1074 WeakPolarHBondContact O-CD 3.42Å; K1070-P1074 WeakPolarHBondContact O-CG 3.31Å; E1071-P1074 VanDerWaalsContact O-CD 3.28Å; E1071-P1074 WeakPolarHBondContact O-CD 3.35Å; P1074-R1077 PolarHBondContact O-N 2.89Å; P1074-Q1078 WeakPolarHBondContact O-CG 3.08Å; P1074-Q1078 PolarHBondContact O-N 3.44Å; P1074-I1115 HydrophobicContact CG-CD1 3.69Å
1075L88.4Confident87.1Confident7 Ų742.6 Ų42.64%0.03721%0.207CC..Hα-helixtrans-61.3-49.4178.4176.962.4000111.3L1015 S1019 L1038 E1071 I1072 G1073 R1077 Q1078 M1079L1015-L1075 HydrophobicContact CD2-CD1 4.38Å; L1015-L1075 HydrophobicContact CD2-CD2 3.94Å; L1015-L1075 HydrophobicContact CG-CD1 4.12Å; S1019-L1075 VanDerWaalsContact CB-CD1 3.47Å; S1019-L1075 WeakPolarHBondContact OG-CD1 3.26Å; L1038-L1075 HydrophobicContact CD1-CD2 4.29Å; E1071-L1075 WeakPolarHBondContact O-CB 3.27Å; E1071-L1075 PolarHBondContact O-N 3.33Å; I1072-L1075 WeakPolarHBondContact O-CB 3.23Å; I1072-L1075 PolarHBondContact O-N 3.4Å; G1073-L1075 PolarHBondContact O-N 3.33Å; L1075-R1077 VanDerWaalsContact C-N 3.26Å; L1075-R1077 PolarHBondContact O-N 2.99Å; L1075-Q1078 PolarHBondContact O-N 3.46Å; L1075-M1079 HydrophobicContact CD1-CE 3.62Å; L1075-M1079 HydrophobicContact CD1-CG 4.33Å; L1075-M1079 HydrophobicContact CD1-SD 3.72Å; L1075-M1079 HydrophobicContact CD2-CE 4.23Å; L1075-M1079 HydrophobicContact CG-CE 3.48Å; L1075-M1079 VanDerWaalsContact CG-CE 3.48Å; L1075-M1079 HydrophobicContact CG-SD 4.27Å; L1075-M1079 WeakPolarHBondContact O-CE 3.48Å; L1075-M1079 WeakPolarHBondContact O-CG 3.44Å; L1075-M1079 PolarHBondContact O-N 3.35Å
1076C88.8Confident87Confident0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-58.4-38.4175.2-68.30000112.4I1072 G1073 G1080 L1081 L1086 I1116 L1119I1072-C1076 WeakPolarHBondContact O-CB 3.48Å; I1072-C1076 PolarHBondContact O-N 3.43Å; I1072-C1076 PolarHBondContact O-SG 2.93Å; G1073-C1076 PolarHBondContact O-N 3.04Å; C1076-G1080 PolarHBondContact O-N 2.87Å; C1076-G1080 VanDerWaalsContact O-N 3.15Å; C1076-L1081 HydrophobicContact CB-CD1 4.29Å; C1076-L1081 PolarHBondContact O-N 3.46Å; C1076-L1081 VanDerWaalsContact O-N 3.1Å; C1076-L1086 HydrophobicContact CB-CD2 3.87Å; C1076-I1116 HydrophobicContact CB-CG1 4.3Å; C1076-L1119 HydrophobicContact CB-CD1 4.33Å
1077R88.7Confident87Confident119 Ų11943.6 Ų43.645%0.44921%0.208SC..Hα-helixtrans-67.3-48.9178.2-179.1179.862.9-175.21.4112.7G1073 P1074 L1075 M1079 G1080 I1115 L1119G1073-R1077 PolarHBondContact O-N 3.47Å; P1074-R1077 PolarHBondContact O-N 2.89Å; L1075-R1077 VanDerWaalsContact C-N 3.26Å; L1075-R1077 PolarHBondContact O-N 2.99Å; R1077-M1079 VanDerWaalsContact C-N 3.25Å; R1077-M1079 PolarHBondContact O-N 3.5Å; R1077-G1080 PolarHBondContact O-N 3.1Å; R1077-G1080 VanDerWaalsContact O-N 3.08Å; R1077-I1115 HydrophobicContact CB-CG2 3.78Å; R1077-I1115 HydrophobicContact CG-CG2 4.4Å; R1077-L1119 HydrophobicContact CB-CD1 3.84Å; R1077-L1119 HydrophobicContact CB-CD2 4.15Å; R1077-L1119 HydrophobicContact CB-CG 4.11Å; R1077-L1119 HydrophobicContact CG-CD1 4.46Å; R1077-L1119 HydrophobicContact CG-CD2 3.87Å; R1077-L1119 HydrophobicContact CG-CG 4.18Å
1078Q85.1Confident87.3Confident59 Ų5941.2 Ų41.228%0.27621%0.207SC..Hα-helixtrans-61.2-37.1179.5-74.7173.4-7.900112S1019 G1023 P1074 L1075 G1080S1019-Q1078 PolarHBondContact OG-OE1 3.05Å; G1023-Q1078 WeakPolarHBondContact CA-O 3.31Å; P1074-Q1078 WeakPolarHBondContact O-CG 3.08Å; P1074-Q1078 PolarHBondContact O-N 3.44Å; L1075-Q1078 PolarHBondContact O-N 3.46Å; Q1078-G1080 VanDerWaalsContact C-N 3.3Å; Q1078-G1080 PolarHBondContact O-N 3.17Å
1079M82.8Confident87.5Confident0 Ų041.1 Ų41.10%021%0.206CC..THydrogen-bonded Turntrans-83.3-3177.8-61.5-175.8-54.300113.4N1024 I1026 R1027 A1030 I1035 L1075 R1077 L1081N1024-M1079 PolarHBondContact OD1-O 3Å; I1026-M1079 HydrophobicContact CD1-SD 4.31Å; I1026-M1079 HydrophobicContact CG1-CG 4.44Å; I1026-M1079 HydrophobicContact CG1-SD 4.37Å; R1027-M1079 WeakPolarHBondContact CB-O 3.34Å; R1027-M1079 WeakPolarHBondContact CD-O 3.39Å; R1027-M1079 WeakPolarHBondContact CG-O 3.38Å; A1030-M1079 HydrophobicContact CB-CE 3.75Å; A1030-M1079 HydrophobicContact CB-SD 3.17Å; A1030-M1079 WeakPolarHBondContact CB-SD 3.44Å; I1035-M1079 HydrophobicContact CD1-CE 4.13Å; L1075-M1079 HydrophobicContact CD1-CE 3.62Å; L1075-M1079 HydrophobicContact CD1-CG 4.33Å; L1075-M1079 HydrophobicContact CD1-SD 3.72Å; L1075-M1079 HydrophobicContact CD2-CE 4.23Å; L1075-M1079 HydrophobicContact CG-CE 3.48Å; L1075-M1079 VanDerWaalsContact CG-CE 3.48Å; L1075-M1079 HydrophobicContact CG-SD 4.27Å; L1075-M1079 WeakPolarHBondContact O-CE 3.48Å; L1075-M1079 WeakPolarHBondContact O-CG 3.44Å; L1075-M1079 PolarHBondContact O-N 3.35Å; R1077-M1079 VanDerWaalsContact C-N 3.25Å; R1077-M1079 PolarHBondContact O-N 3.5Å; M1079-L1081 VanDerWaalsContact C-N 3.32Å; M1079-L1081 HydrophobicContact CB-CG 4.28Å; M1079-L1081 HydrophobicContact CE-CD1 3.95Å; M1079-L1081 HydrophobicContact CE-CG 4.46Å; M1079-L1081 PolarHBondContact O-N 2.95Å
1080G83.3Confident87.4Confident15 Ų1541.1 Ų41.116%0.15521%0.206CC..THydrogen-bonded Turntrans57.741-179.700000113.6R1027 C1076 R1077 Q1078R1027-G1080 WeakPolarHBondContact CD-O 3.49Å; C1076-G1080 PolarHBondContact O-N 2.87Å; C1076-G1080 VanDerWaalsContact O-N 3.15Å; R1077-G1080 PolarHBondContact O-N 3.1Å; R1077-G1080 VanDerWaalsContact O-N 3.08Å; Q1078-G1080 VanDerWaalsContact C-N 3.3Å; Q1078-G1080 PolarHBondContact O-N 3.17Å
1081L84.5Confident87.4Confident2 Ų238 Ų381%0.0120%0.195CC..  trans-71.5133.3175-65.8178.9000109.9R1027 I1035 C1076 M1079 L1086R1027-L1081 HydrophobicContact CG-CD2 3.8Å; I1035-L1081 HydrophobicContact CD1-CD1 4.06Å; I1035-L1081 HydrophobicContact CG1-CD1 4Å; C1076-L1081 HydrophobicContact CB-CD1 4.29Å; C1076-L1081 PolarHBondContact O-N 3.46Å; C1076-L1081 VanDerWaalsContact O-N 3.1Å; M1079-L1081 VanDerWaalsContact C-N 3.32Å; M1079-L1081 HydrophobicContact CB-CG 4.28Å; M1079-L1081 HydrophobicContact CE-CD1 3.95Å; M1079-L1081 HydrophobicContact CE-CG 4.46Å; M1079-L1081 PolarHBondContact O-N 2.95Å; L1081-L1086 HydrophobicContact CB-CD2 3.85Å; L1081-L1086 HydrophobicContact CB-CG 4.18Å; L1081-L1086 VanDerWaalsContact O-CD1 3.25Å; L1081-L1086 WeakPolarHBondContact O-CD1 3.44Å; L1081-L1086 WeakPolarHBondContact O-CG 3.32Å
1082L82.3Confident87.7Confident86 Ų8636.6 Ų36.645%0.4519%0.189SC..  trans-131.4159.2-177.2-64.9170.2000111.3Q1084 S1085 L1119 D1120L1082-Q1084 PolarHBondContact O-N 3.45Å; L1082-S1085 WeakPolarHBondContact O-CB 3.24Å; L1082-S1085 PolarHBondContact O-N 3.29Å; L1082-S1085 VanDerWaalsContact O-N 3.09Å; L1082-L1119 HydrophobicContact CD2-CB 4.47Å; L1082-D1120 HydrophobicContact CD2-CB 4.32Å
1083S82.1Confident87.8Confident68 Ų6836.6 Ų36.648%0.47619%0.189SC..G310 helixtrans47-114.3167.263.10000114.4S1085 L1086 R1087 D1120S1083-S1085 PolarHBondContact O-N 2.87Å; S1083-L1086 PolarHBondContact O-N 3.4Å; S1083-L1086 VanDerWaalsContact O-N 3.11Å; S1083-R1087 PolarHBondContact O-N 3.07Å; S1083-D1120 WeakPolarHBondContact CA-OD2 3.34Å; S1083-D1120 PolarHBondContact N-OD2 3.16Å; S1083-D1120 VanDerWaalsContact N-OD2 3.15Å
1084Q83.9Confident87.7Confident131 Ų13136.8 Ų36.861%0.61219%0.189SC*.G310 helixtrans-63.4-26.6-173-172.860.623.500112.7L1082 P1088L1082-Q1084 PolarHBondContact O-N 3.45Å; Q1084-P1088 WeakPolarHBondContact O-CD 3.44Å
1085S83.3Confident87.7Confident43 Ų4339.1 Ų39.130%0.30120%0.2SC..G310 helixtrans-75-29179.1-49.30000112.4L1082 S1083L1082-S1085 WeakPolarHBondContact O-CB 3.24Å; L1082-S1085 PolarHBondContact O-N 3.29Å; L1082-S1085 VanDerWaalsContact O-N 3.09Å; S1083-S1085 PolarHBondContact O-N 2.87Å
1086L87.6Confident87.9Confident0 Ų038.8 Ų38.80%020%0.198CC..THydrogen-bonded Turntrans-80.6-24.3177.6-73.9174000112.7C1076 L1081 S1083 V1089 I1090 I1116 D1120C1076-L1086 HydrophobicContact CB-CD2 3.87Å; L1081-L1086 HydrophobicContact CB-CD2 3.85Å; L1081-L1086 HydrophobicContact CB-CG 4.18Å; L1081-L1086 VanDerWaalsContact O-CD1 3.25Å; L1081-L1086 WeakPolarHBondContact O-CD1 3.44Å; L1081-L1086 WeakPolarHBondContact O-CG 3.32Å; S1083-L1086 PolarHBondContact O-N 3.4Å; S1083-L1086 VanDerWaalsContact O-N 3.11Å; L1086-V1089 WeakPolarHBondContact O-CA 3.29Å; L1086-V1089 WeakPolarHBondContact O-CB 3.29Å; L1086-V1089 PolarHBondContact O-N 3.32Å; L1086-I1090 HydrophobicContact CB-CD1 3.83Å; L1086-I1090 HydrophobicContact CB-CG1 4.44Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.43Å; L1086-I1090 PolarHBondContact O-N 3.11Å; L1086-I1116 HydrophobicContact CD1-CG2 3.92Å; L1086-I1116 HydrophobicContact CD2-CG1 4.47Å; L1086-I1116 HydrophobicContact CD2-CG2 3.97Å; L1086-I1116 HydrophobicContact CG-CG2 4.44Å; L1086-D1120 HydrophobicContact CD1-CB 3.88Å
1087R90.3Very high87.8Confident110 Ų11038.8 Ų38.842%0.41520%0.198SC..Hα-helixtrans-53.9-47.1-173.5-178.8172.5-171.1-1781.7114S1083 V1089 N1091 L1127S1083-R1087 PolarHBondContact O-N 3.07Å; R1087-V1089 VanDerWaalsContact C-N 3.31Å; R1087-V1089 PolarHBondContact O-N 3.44Å; R1087-N1091 WeakPolarHBondContact O-CB 3.47Å; R1087-N1091 PolarHBondContact O-N 3.07Å; R1087-N1091 PolarHBondContact O-ND2 3.3Å; R1087-L1127 HydrophobicContact CB-CD1 3.97Å; R1087-L1127 HydrophobicContact CG-CD1 3.9Å; R1087-L1127 HydrophobicContact CG-CD2 3.83Å
1088P91.1Very high87.6Confident55 Ų5535.8 Ų35.836%0.35719%0.19SC..Hα-helixtrans-63-36.8176.1-21.534.2000112.9V1039 Q1084 V1092V1039-P1088 HydrophobicContact CG1-CB 4.22Å; V1039-P1088 HydrophobicContact CG2-CB 4.22Å; Q1084-P1088 WeakPolarHBondContact O-CD 3.44Å; P1088-V1092 PolarHBondContact O-N 3.42Å; P1088-V1092 VanDerWaalsContact O-N 3.14Å
1089V92.5Very high87.3Confident0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-67.6-49179.7-178.90000110.7I1035 V1039 I1072 L1086 R1087 N1091 V1092 L1093 I1116I1035-V1089 HydrophobicContact CG2-CG2 3.66Å; V1039-V1089 HydrophobicContact CG2-CG2 4.07Å; I1072-V1089 HydrophobicContact CD1-CG1 3.93Å; I1072-V1089 HydrophobicContact CG1-CG1 3.97Å; I1072-V1089 HydrophobicContact CG2-CG1 4.48Å; L1086-V1089 WeakPolarHBondContact O-CA 3.29Å; L1086-V1089 WeakPolarHBondContact O-CB 3.29Å; L1086-V1089 PolarHBondContact O-N 3.32Å; R1087-V1089 VanDerWaalsContact C-N 3.31Å; R1087-V1089 PolarHBondContact O-N 3.44Å; V1089-N1091 VanDerWaalsContact C-N 3.32Å; V1089-N1091 PolarHBondContact O-N 2.91Å; V1089-V1092 WeakPolarHBondContact O-CG1 3.41Å; V1089-V1092 PolarHBondContact O-N 3.39Å; V1089-L1093 HydrophobicContact CG1-CD1 3.9Å; V1089-L1093 HydrophobicContact CG1-CG 4.4Å; V1089-L1093 WeakPolarHBondContact O-CB 3.05Å; V1089-L1093 VanDerWaalsContact O-CG 3.27Å; V1089-L1093 WeakPolarHBondContact O-CG 3.48Å; V1089-L1093 PolarHBondContact O-N 3.25Å; V1089-I1116 HydrophobicContact CG1-CD1 3.84Å
1090I91Very high87.4Confident0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-62.1-43.9178.3-64.5162.3000109.9L1086 V1092 L1093 V1094 I1116 L1127L1086-I1090 HydrophobicContact CB-CD1 3.83Å; L1086-I1090 HydrophobicContact CB-CG1 4.44Å; L1086-I1090 WeakPolarHBondContact O-CG1 3.43Å; L1086-I1090 PolarHBondContact O-N 3.11Å; I1090-V1092 VanDerWaalsContact C-N 3.33Å; I1090-V1092 PolarHBondContact O-N 3.46Å; I1090-L1093 PolarHBondContact O-N 3.5Å; I1090-V1094 HydrophobicContact CG2-CG2 4.29Å; I1090-V1094 VanDerWaalsContact O-CG2 3.28Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.47Å; I1090-V1094 PolarHBondContact O-N 2.9Å; I1090-I1116 HydrophobicContact CD1-CG2 3.92Å; I1090-I1116 HydrophobicContact CG1-CG2 3.92Å; I1090-L1127 HydrophobicContact CB-CD1 3.98Å; I1090-L1127 HydrophobicContact CD1-CD1 3.68Å; I1090-L1127 HydrophobicContact CG1-CD1 4.44Å; I1090-L1127 HydrophobicContact CG2-CB 3.74Å; I1090-L1127 HydrophobicContact CG2-CD1 4.07Å
1091N91.5Very high87.8Confident51 Ų5137.2 Ų37.227%0.27320%0.199SC..Hα-helixtrans-57.2-44177.9-77.3-19.7000112.6R1087 V1089 V1094 M1095 H1131R1087-N1091 WeakPolarHBondContact O-CB 3.47Å; R1087-N1091 PolarHBondContact O-N 3.07Å; R1087-N1091 PolarHBondContact O-ND2 3.3Å; V1089-N1091 VanDerWaalsContact C-N 3.32Å; V1089-N1091 PolarHBondContact O-N 2.91Å; N1091-V1094 PolarHBondContact O-N 3.1Å; N1091-M1095 WeakPolarHBondContact O-CG 3.32Å; N1091-M1095 PolarHBondContact O-N 3.37Å; N1091-H1131 PolarHBondContact OD1-NE2 3.32Å
1092V93.2Very high88Confident2 Ų238.5 Ų38.51%0.01221%0.208CC..Hα-helixtrans-73-35.9178.771.60000112.6V1039 L1042 T1043 P1088 V1089 I1090 V1094 M1095 Y1096V1039-V1092 HydrophobicContact CB-CG1 4.41Å; V1039-V1092 HydrophobicContact CG1-CB 4.06Å; V1039-V1092 HydrophobicContact CG1-CG1 4.03Å; V1039-V1092 HydrophobicContact CG2-CG1 4.1Å; L1042-V1092 HydrophobicContact CB-CG1 4.37Å; L1042-V1092 HydrophobicContact CB-CG2 3.47Å; L1042-V1092 VanDerWaalsContact CB-CG2 3.47Å; L1042-V1092 HydrophobicContact CD1-CG1 4.15Å; T1043-V1092 WeakPolarHBondContact OG1-CG2 3.46Å; P1088-V1092 PolarHBondContact O-N 3.42Å; P1088-V1092 VanDerWaalsContact O-N 3.14Å; V1089-V1092 WeakPolarHBondContact O-CG1 3.41Å; V1089-V1092 PolarHBondContact O-N 3.39Å; I1090-V1092 VanDerWaalsContact C-N 3.33Å; I1090-V1092 PolarHBondContact O-N 3.46Å; V1092-V1094 VanDerWaalsContact C-N 3.28Å; V1092-V1094 PolarHBondContact O-N 3.47Å; V1092-M1095 WeakPolarHBondContact O-CB 3.24Å; V1092-M1095 PolarHBondContact O-N 3.49Å; V1092-M1095 VanDerWaalsContact O-N 3.17Å; V1092-Y1096 HydrophobicContact CG2-CE2 4.5Å; V1092-Y1096 WeakPolarHBondContact O-CD2 3.45Å; V1092-Y1096 PolarHBondContact O-N 3.1Å
1093L93.1Very high88.3Confident0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-60.6-40.1173.7-71.5170.9000111.2L1069 I1072 V1089 I1090 M1095 Y1096 L1097 S1109 I1113 I1116L1069-L1093 HydrophobicContact CD2-CD2 3.75Å; I1072-L1093 HydrophobicContact CG2-CD1 4.44Å; I1072-L1093 HydrophobicContact CG2-CD2 3.89Å; V1089-L1093 HydrophobicContact CG1-CD1 3.9Å; V1089-L1093 HydrophobicContact CG1-CG 4.4Å; V1089-L1093 WeakPolarHBondContact O-CB 3.05Å; V1089-L1093 VanDerWaalsContact O-CG 3.27Å; V1089-L1093 WeakPolarHBondContact O-CG 3.48Å; V1089-L1093 PolarHBondContact O-N 3.25Å; I1090-L1093 PolarHBondContact O-N 3.5Å; L1093-M1095 VanDerWaalsContact C-N 3.31Å; L1093-M1095 PolarHBondContact O-N 3.1Å; L1093-Y1096 WeakPolarHBondContact O-CA 3.3Å; L1093-Y1096 WeakPolarHBondContact O-CB 3.43Å; L1093-Y1096 PolarHBondContact O-N 2.95Å; L1093-L1097 PolarHBondContact O-N 2.81Å; L1093-S1109 VanDerWaalsContact C-OG 3.26Å; L1093-S1109 VanDerWaalsContact CA-OG 3.31Å; L1093-S1109 WeakPolarHBondContact CA-OG 3.42Å; L1093-S1109 WeakPolarHBondContact CB-OG 3.39Å; L1093-S1109 WeakPolarHBondContact CD2-OG 3.05Å; L1093-S1109 PolarHBondContact O-OG 2.98Å; L1093-I1113 HydrophobicContact CB-CD1 3.91Å; L1093-I1113 HydrophobicContact CB-CG1 3.76Å; L1093-I1113 HydrophobicContact CD1-CG1 3.84Å; L1093-I1113 HydrophobicContact CG-CG1 4.35Å; L1093-I1116 HydrophobicContact CD1-CD1 3.39Å
1094V89.5Confident88.6Confident3 Ų337 Ų372%0.01820%0.197CC..Hα-helixtrans-63.2-34.8176.11730000112.4I1090 N1091 V1092 Y1096 L1097 L1128 H1131I1090-V1094 HydrophobicContact CG2-CG2 4.29Å; I1090-V1094 VanDerWaalsContact O-CG2 3.28Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.47Å; I1090-V1094 PolarHBondContact O-N 2.9Å; N1091-V1094 PolarHBondContact O-N 3.1Å; V1092-V1094 VanDerWaalsContact C-N 3.28Å; V1092-V1094 PolarHBondContact O-N 3.47Å; V1094-Y1096 PolarHBondContact O-N 3.16Å; V1094-L1097 HydrophobicContact CG2-CD1 4.49Å; V1094-L1097 WeakPolarHBondContact O-CB 3.22Å; V1094-L1097 PolarHBondContact O-N 3.08Å; V1094-L1128 HydrophobicContact CG2-CD2 3.65Å; V1094-H1131 HydrophobicContact CG1-CB 3.72Å
1095M89.7Confident89.1Confident71 Ų7130.8 Ų30.835%0.3517%0.168SC..Hα-helixtrans-59.3-30.7173-62.8-176.571.500112.3T1043 A1046 N1091 V1092 L1093 L1097T1043-M1095 HydrophobicContact CG2-CE 4.33Å; T1043-M1095 HydrophobicContact CG2-SD 4.03Å; A1046-M1095 HydrophobicContact CB-CB 4.27Å; A1046-M1095 HydrophobicContact CB-CE 4.31Å; N1091-M1095 WeakPolarHBondContact O-CG 3.32Å; N1091-M1095 PolarHBondContact O-N 3.37Å; V1092-M1095 WeakPolarHBondContact O-CB 3.24Å; V1092-M1095 PolarHBondContact O-N 3.49Å; V1092-M1095 VanDerWaalsContact O-N 3.17Å; L1093-M1095 VanDerWaalsContact C-N 3.31Å; L1093-M1095 PolarHBondContact O-N 3.1Å; M1095-L1097 VanDerWaalsContact C-N 3.34Å
1096Y92Very high89.4Confident0 Ų029.4 Ų29.40%016%0.157CC..THydrogen-bonded Turntrans-81.6-7.9177.9-81.7-80.3000114.7L1042 G1045 A1046 Q1065 L1069 V1092 L1093 V1094 D1098 Q1101 L1105 Q1106L1042-Y1096 HydrophobicContact CB-CE2 4.05Å; L1042-Y1096 HydrophobicContact CD2-CE2 4.04Å; L1042-Y1096 WeakPolarHBondContact O-CE2 3.47Å; L1042-Y1096 PolarHBondContact O-OH 3.25Å; G1045-Y1096 VanDerWaalsContact C-OH 3.24Å; A1046-Y1096 HydrophobicContact CB-CD2 4.2Å; A1046-Y1096 HydrophobicContact CB-CE1 4.23Å; A1046-Y1096 HydrophobicContact CB-CE2 3.71Å; A1046-Y1096 PolarHBondContact N-OH 3.39Å; Q1065-Y1096 VanDerWaalsContact CD-OH 3.24Å; Q1065-Y1096 PolarHBondContact OE1-OH 3.44Å; L1069-Y1096 HydrophobicContact CD1-CD1 3.6Å; L1069-Y1096 HydrophobicContact CD1-CD2 4.05Å; L1069-Y1096 HydrophobicContact CD1-CE1 3.78Å; L1069-Y1096 HydrophobicContact CD1-CE2 4.18Å; L1069-Y1096 HydrophobicContact CD1-CG 3.7Å; L1069-Y1096 HydrophobicContact CD2-CD2 3.55Å; L1069-Y1096 HydrophobicContact CD2-CE2 3.88Å; L1069-Y1096 HydrophobicContact CD2-CG 3.9Å; L1069-Y1096 HydrophobicContact CG-CD2 4.35Å; L1069-Y1096 HydrophobicContact CG-CE2 4.41Å; L1069-Y1096 HydrophobicContact CG-CG 4.44Å; V1092-Y1096 HydrophobicContact CG2-CE2 4.5Å; V1092-Y1096 WeakPolarHBondContact O-CD2 3.45Å; V1092-Y1096 PolarHBondContact O-N 3.1Å; L1093-Y1096 WeakPolarHBondContact O-CA 3.3Å; L1093-Y1096 WeakPolarHBondContact O-CB 3.43Å; L1093-Y1096 PolarHBondContact O-N 2.95Å; V1094-Y1096 PolarHBondContact O-N 3.16Å; Y1096-D1098 VanDerWaalsContact C-N 3.3Å; Y1096-Q1101 HydrophobicContact CD1-CG 4.27Å; Y1096-L1105 HydrophobicContact CD1-CB 3.85Å; Y1096-L1105 HydrophobicContact CD1-CD1 4.1Å; Y1096-L1105 HydrophobicContact CE1-CB 4.24Å; Y1096-L1105 HydrophobicContact CE1-CD1 3.66Å; Y1096-Q1106 WeakPolarHBondContact O-CA 3.35Å; Y1096-Q1106 WeakPolarHBondContact O-CG 3.27Å
1097L87Confident89.5Confident0 Ų035.4 Ų35.40%019%0.185CC..THydrogen-bonded Turntrans-83.2-8.4174.3-60.6-178000113.1L1093 V1094 M1095 M1110 I1113 L1128 N1171 V1172 L1175L1093-L1097 PolarHBondContact O-N 2.81Å; V1094-L1097 HydrophobicContact CG2-CD1 4.49Å; V1094-L1097 WeakPolarHBondContact O-CB 3.22Å; V1094-L1097 PolarHBondContact O-N 3.08Å; M1095-L1097 VanDerWaalsContact C-N 3.34Å; L1097-M1110 HydrophobicContact CD2-CB 4.47Å; L1097-M1110 HydrophobicContact CD2-CG 3.43Å; L1097-M1110 VanDerWaalsContact CD2-CG 3.43Å; L1097-I1113 HydrophobicContact CD1-CD1 3.66Å; L1097-I1113 HydrophobicContact CD2-CD1 4.15Å; L1097-I1113 HydrophobicContact CG-CD1 4.09Å; L1097-L1128 HydrophobicContact CD1-CD2 4.39Å; L1097-N1171 PolarHBondContact O-ND2 2.94Å; L1097-V1172 HydrophobicContact CD1-CG2 3.92Å; L1097-L1175 HydrophobicContact CD1-CD2 4Å
1098D83.7Confident89.6Confident55 Ų5530.4 Ų30.429%0.29417%0.167SC..SBendtrans-65.1145.7178.1-165.5-65.4000111.8Y1096 S1100 Q1101 Q1106Y1096-D1098 VanDerWaalsContact C-N 3.3Å; D1098-S1100 PolarHBondContact O-N 3.02Å; D1098-S1100 WeakPolarHBondContact OD1-CB 3.3Å; D1098-S1100 PolarHBondContact OD1-N 3.33Å; D1098-S1100 PolarHBondContact OD1-OG 3.47Å; D1098-Q1101 HydrophobicContact CB-CG 4.34Å; D1098-Q1101 VanDerWaalsContact O-CB 3.27Å; D1098-Q1101 WeakPolarHBondContact O-CB 3.04Å; D1098-Q1101 PolarHBondContact O-N 2.86Å; D1098-Q1106 PolarHBondContact O-NE2 3.49Å
1099N78.8Confident89.8Confident57 Ų5727.8 Ų27.831%0.30515%0.15SC..THydrogen-bonded Turntrans-61.6-27.4178.9-67.2-30.9000114.6Q1101 S1167 K1168N1099-Q1101 PolarHBondContact O-N 2.92Å; N1099-S1167 WeakPolarHBondContact ND2-CA 3.38Å; N1099-S1167 WeakPolarHBondContact ND2-CB 3.47Å; N1099-S1167 PolarHBondContact ND2-N 3.42Å; N1099-S1167 PolarHBondContact ND2-OG 3.28Å; N1099-S1167 WeakPolarHBondContact OD1-CA 3.4Å; N1099-S1167 WeakPolarHBondContact OD1-CB 3.42Å; N1099-S1167 PolarHBondContact OD1-O 3.29Å; N1099-S1167 PolarHBondContact OD1-OG 3.14Å; N1099-K1168 PolarHBondContact ND2-N 3.49Å; N1099-K1168 PolarHBondContact OD1-N 2.88Å
1100S85Confident89.7Confident39 Ų3928.7 Ų28.727%0.27316%0.155SC..THydrogen-bonded Turntrans-63.5-18.7175.556.90000112S1051 D1098S1051-S1100 PolarHBondContact N-O 3Å; D1098-S1100 PolarHBondContact O-N 3.02Å; D1098-S1100 WeakPolarHBondContact OD1-CB 3.3Å; D1098-S1100 PolarHBondContact OD1-N 3.33Å; D1098-S1100 PolarHBondContact OD1-OG 3.47Å
1101Q91Very high89.8Confident9 Ų930.6 Ų30.64%0.04217%0.168CC..SBendtrans-84.5149.6-177.3-60.5-70.5-1300111.8A1046 S1049 Y1096 D1098 N1099 Q1106A1046-Q1101 PolarHBondContact O-NE2 3.38Å; S1049-Q1101 VanDerWaalsContact CB-OE1 3.27Å; S1049-Q1101 PolarHBondContact OG-OE1 2.73Å; Y1096-Q1101 HydrophobicContact CD1-CG 4.27Å; D1098-Q1101 HydrophobicContact CB-CG 4.34Å; D1098-Q1101 VanDerWaalsContact O-CB 3.27Å; D1098-Q1101 WeakPolarHBondContact O-CB 3.04Å; D1098-Q1101 PolarHBondContact O-N 2.86Å; N1099-Q1101 PolarHBondContact O-N 2.92Å; Q1101-Q1106 HydrophobicContact CB-CG 4Å; Q1101-Q1106 PolarHBondContact O-NE2 3.41Å
1102P90Very high89.9Confident28 Ų2828.2 Ų28.218%0.18216%0.155CC..  trans-64.1140.3172.6-2131.6000112.9Y1056 Y1062 G1104 L1105 Q1106Y1056-P1102 HydrophobicContact CD1-CG 4.17Å; Y1062-P1102 HydrophobicContact CD2-CB 4.47Å; Y1062-P1102 HydrophobicContact CD2-CG 4.43Å; Y1062-P1102 HydrophobicContact CE2-CB 3.87Å; Y1062-P1102 HydrophobicContact CE2-CG 4.31Å; P1102-G1104 PolarHBondContact O-N 3.2Å; P1102-L1105 HydrophobicContact CB-CG 4.43Å; P1102-L1105 HydrophobicContact CG-CD1 4.22Å; P1102-L1105 HydrophobicContact CG-CG 4.49Å; P1102-L1105 PolarHBondContact O-N 2.85Å; P1102-Q1106 PolarHBondContact O-N 3.34Å; P1102-Q1106 VanDerWaalsContact O-N 3.16Å
1103D87.4Confident89.8Confident114 Ų11428.1 Ų28.161%0.6115%0.154SC*.Hα-helixtrans-49-40.6-177.4-56-25.3000114L1105 Q1106 Q1107D1103-L1105 VanDerWaalsContact C-N 3.29Å; D1103-L1105 PolarHBondContact O-N 3.29Å; D1103-Q1106 PolarHBondContact O-N 2.91Å; D1103-Q1107 WeakPolarHBondContact O-CG 3.14Å; D1103-Q1107 PolarHBondContact O-N 3.04Å
1104G89.7Confident89.6Confident9 Ų930 Ų309%0.09316%0.163CC..Hα-helixtrans-70.4-21.3-178.900000114.6Y1062 K1066 P1102 A1108Y1062-G1104 WeakPolarHBondContact OH-CA 3.32Å; K1066-G1104 WeakPolarHBondContact CE-O 3.48Å; P1102-G1104 PolarHBondContact O-N 3.2Å; G1104-A1108 PolarHBondContact O-N 3.37Å
1105L93.1Very high89.6Confident0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-83.1-40.2170.6-56.5-172.8000110.7Y1062 Q1065 K1066 L1069 Y1096 P1102 D1103 Q1107 A1108 S1109Y1062-L1105 HydrophobicContact CD2-CD1 4Å; Y1062-L1105 HydrophobicContact CD2-CD2 3.7Å; Y1062-L1105 HydrophobicContact CD2-CG 3.82Å; Y1062-L1105 HydrophobicContact CE2-CD1 4.23Å; Y1062-L1105 HydrophobicContact CE2-CD2 3.57Å; Y1062-L1105 HydrophobicContact CE2-CG 3.57Å; Y1062-L1105 HydrophobicContact CG-CD2 4.45Å; Q1065-L1105 HydrophobicContact CB-CD1 4.5Å; Q1065-L1105 HydrophobicContact CB-CD2 4.23Å; K1066-L1105 HydrophobicContact CB-CD2 3.55Å; K1066-L1105 HydrophobicContact CG-CD2 4.18Å; L1069-L1105 HydrophobicContact CD1-CB 3.83Å; L1069-L1105 HydrophobicContact CD1-CD2 4.16Å; L1069-L1105 HydrophobicContact CD1-CG 4.44Å; Y1096-L1105 HydrophobicContact CD1-CB 3.85Å; Y1096-L1105 HydrophobicContact CD1-CD1 4.1Å; Y1096-L1105 HydrophobicContact CE1-CB 4.24Å; Y1096-L1105 HydrophobicContact CE1-CD1 3.66Å; P1102-L1105 HydrophobicContact CB-CG 4.43Å; P1102-L1105 HydrophobicContact CG-CD1 4.22Å; P1102-L1105 HydrophobicContact CG-CG 4.49Å; P1102-L1105 PolarHBondContact O-N 2.85Å; D1103-L1105 VanDerWaalsContact C-N 3.29Å; D1103-L1105 PolarHBondContact O-N 3.29Å; L1105-Q1107 VanDerWaalsContact C-N 3.32Å; L1105-Q1107 PolarHBondContact O-N 2.93Å; L1105-A1108 PolarHBondContact O-N 3.25Å; L1105-S1109 WeakPolarHBondContact O-CB 3.26Å; L1105-S1109 PolarHBondContact O-N 3.22Å
1106Q91.2Very high89.6Confident15 Ų1527.7 Ų27.77%0.0715%0.152CC..Hα-helixtrans-56-48.4174-60176.416.700110.7Y1096 D1098 Q1101 P1102 D1103 A1108 S1109 M1110 N1171Y1096-Q1106 WeakPolarHBondContact O-CA 3.35Å; Y1096-Q1106 WeakPolarHBondContact O-CG 3.27Å; D1098-Q1106 PolarHBondContact O-NE2 3.49Å; Q1101-Q1106 HydrophobicContact CB-CG 4Å; Q1101-Q1106 PolarHBondContact O-NE2 3.41Å; P1102-Q1106 PolarHBondContact O-N 3.34Å; P1102-Q1106 VanDerWaalsContact O-N 3.16Å; D1103-Q1106 PolarHBondContact O-N 2.91Å; Q1106-A1108 PolarHBondContact O-N 3Å; Q1106-S1109 PolarHBondContact O-N 2.86Å; Q1106-M1110 HydrophobicContact CB-CE 3.96Å; Q1106-M1110 WeakPolarHBondContact O-CG 3.37Å; Q1106-M1110 PolarHBondContact O-N 3.26Å; Q1106-N1171 PolarHBondContact OE1-ND2 2.93Å
1107Q89.7Confident89.3Confident125 Ų12528.3 Ų28.358%0.58416%0.155SC*.Hα-helixtrans-62-41.3177.5-72.7174.9-2.600113.2D1103 L1105 S1109 M1110 S1111D1103-Q1107 WeakPolarHBondContact O-CG 3.14Å; D1103-Q1107 PolarHBondContact O-N 3.04Å; L1105-Q1107 VanDerWaalsContact C-N 3.32Å; L1105-Q1107 PolarHBondContact O-N 2.93Å; Q1107-S1109 VanDerWaalsContact C-N 3.34Å; Q1107-M1110 HydrophobicContact CG-CE 4.48Å; Q1107-M1110 PolarHBondContact O-N 2.92Å; Q1107-S1111 WeakPolarHBondContact O-CB 3.44Å; Q1107-S1111 PolarHBondContact O-N 3.29Å
1108A92.7Very high89.2Confident6 Ų631.9 Ų31.95%0.0518%0.176CC..Hα-helixtrans-64.7-41.8177.100000111.1K1066 L1069 K1070 G1104 L1105 Q1106 S1111 S1112K1066-A1108 HydrophobicContact CG-CB 4.18Å; L1069-A1108 HydrophobicContact CB-CB 3.71Å; K1070-A1108 HydrophobicContact CB-CB 4.19Å; G1104-A1108 PolarHBondContact O-N 3.37Å; L1105-A1108 PolarHBondContact O-N 3.25Å; Q1106-A1108 PolarHBondContact O-N 3Å; A1108-S1111 PolarHBondContact O-N 3.49Å; A1108-S1112 PolarHBondContact O-N 3.37Å
1109S94.3Very high89.2Confident0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-63.1-49.1175.3-173.10000112L1093 L1105 Q1106 Q1107 S1111 S1112 I1113L1093-S1109 VanDerWaalsContact C-OG 3.26Å; L1093-S1109 VanDerWaalsContact CA-OG 3.31Å; L1093-S1109 WeakPolarHBondContact CA-OG 3.42Å; L1093-S1109 WeakPolarHBondContact CB-OG 3.39Å; L1093-S1109 WeakPolarHBondContact CD2-OG 3.05Å; L1093-S1109 PolarHBondContact O-OG 2.98Å; L1105-S1109 WeakPolarHBondContact O-CB 3.26Å; L1105-S1109 PolarHBondContact O-N 3.22Å; Q1106-S1109 PolarHBondContact O-N 2.86Å; Q1107-S1109 VanDerWaalsContact C-N 3.34Å; S1109-S1111 VanDerWaalsContact C-N 3.31Å; S1109-S1111 PolarHBondContact O-N 3.46Å; S1109-S1112 PolarHBondContact O-N 2.83Å; S1109-S1112 VanDerWaalsContact O-N 3.08Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.24Å; S1109-I1113 PolarHBondContact O-N 3.33Å
1110M90.8Very high89.5Confident19 Ų1929.9 Ų29.99%0.09417%0.165CC..Hα-helixtrans-53.5-47.6176-76.6-173.8-10500111.7L1097 Q1106 Q1107 S1112 I1113 E1114 L1175L1097-M1110 HydrophobicContact CD2-CB 4.47Å; L1097-M1110 HydrophobicContact CD2-CG 3.43Å; L1097-M1110 VanDerWaalsContact CD2-CG 3.43Å; Q1106-M1110 HydrophobicContact CB-CE 3.96Å; Q1106-M1110 WeakPolarHBondContact O-CG 3.37Å; Q1106-M1110 PolarHBondContact O-N 3.26Å; Q1107-M1110 HydrophobicContact CG-CE 4.48Å; Q1107-M1110 PolarHBondContact O-N 2.92Å; M1110-S1112 VanDerWaalsContact C-N 3.3Å; M1110-S1112 PolarHBondContact O-N 3.39Å; M1110-I1113 PolarHBondContact O-N 3.39Å; M1110-I1113 VanDerWaalsContact O-N 3.13Å; M1110-E1114 WeakPolarHBondContact O-CG 3.42Å; M1110-E1114 PolarHBondContact O-N 2.88Å; M1110-L1175 HydrophobicContact CB-CD1 4.33Å; M1110-L1175 HydrophobicContact CG-CD1 4.48Å
1111S91.6Very high89.3Confident40 Ų4030.9 Ų30.928%0.2817%0.171SC..Hα-helixtrans-59.8-38.9178.5-177.70000112.7Q1107 A1108 S1109 I1115Q1107-S1111 WeakPolarHBondContact O-CB 3.44Å; Q1107-S1111 PolarHBondContact O-N 3.29Å; A1108-S1111 PolarHBondContact O-N 3.49Å; S1109-S1111 VanDerWaalsContact C-N 3.31Å; S1109-S1111 PolarHBondContact O-N 3.46Å; S1111-I1115 WeakPolarHBondContact O-CG1 3.31Å; S1111-I1115 PolarHBondContact O-N 2.85Å
1112S93.7Very high88.8Confident0 Ų032.8 Ų32.80%019%0.193CC..Hα-helixtrans-70.3-36.4175.1-83.70000113L1069 G1073 A1108 S1109 M1110 I1115 I1116L1069-S1112 VanDerWaalsContact O-CB 3.28Å; L1069-S1112 WeakPolarHBondContact O-CB 3.37Å; L1069-S1112 PolarHBondContact O-OG 2.86Å; G1073-S1112 WeakPolarHBondContact CA-OG 3.46Å; G1073-S1112 PolarHBondContact N-OG 2.95Å; A1108-S1112 PolarHBondContact O-N 3.37Å; S1109-S1112 PolarHBondContact O-N 2.83Å; S1109-S1112 VanDerWaalsContact O-N 3.08Å; M1110-S1112 VanDerWaalsContact C-N 3.3Å; M1110-S1112 PolarHBondContact O-N 3.39Å; S1112-I1115 PolarHBondContact O-N 3.09Å; S1112-I1116 VanDerWaalsContact O-CG1 3.27Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; S1112-I1116 PolarHBondContact O-N 3.28Å
1113I91.6Very high88.3Confident0 Ų033 Ų330%020%0.195CC..Hα-helixtrans-66.9-40.6174.8-60.2166.2000110.7L1093 L1097 S1109 M1110 I1115 I1116 W1117 T1124 L1128 L1175L1093-I1113 HydrophobicContact CB-CD1 3.91Å; L1093-I1113 HydrophobicContact CB-CG1 3.76Å; L1093-I1113 HydrophobicContact CD1-CG1 3.84Å; L1093-I1113 HydrophobicContact CG-CG1 4.35Å; L1097-I1113 HydrophobicContact CD1-CD1 3.66Å; L1097-I1113 HydrophobicContact CD2-CD1 4.15Å; L1097-I1113 HydrophobicContact CG-CD1 4.09Å; S1109-I1113 WeakPolarHBondContact O-CG1 3.24Å; S1109-I1113 PolarHBondContact O-N 3.33Å; M1110-I1113 PolarHBondContact O-N 3.39Å; M1110-I1113 VanDerWaalsContact O-N 3.13Å; I1113-I1115 PolarHBondContact O-N 3.43Å; I1113-I1116 PolarHBondContact O-N 3.46Å; I1113-W1117 WeakPolarHBondContact O-CB 3.43Å; I1113-W1117 PolarHBondContact O-N 3.25Å; I1113-T1124 HydrophobicContact CG2-CG2 3.79Å; I1113-L1128 HydrophobicContact CD1-CD2 4.43Å; I1113-L1128 HydrophobicContact CG2-CD1 4.23Å; I1113-L1128 HydrophobicContact CG2-CD2 4.48Å; I1113-L1175 HydrophobicContact CB-CD1 4.4Å; I1113-L1175 HydrophobicContact CB-CD2 4.04Å; I1113-L1175 HydrophobicContact CD1-CD2 3.81Å; I1113-L1175 HydrophobicContact CG2-CD1 4.43Å; I1113-L1175 HydrophobicContact CG2-CD2 3.73Å; I1113-L1175 HydrophobicContact CG2-CG 4.45Å
1114E89.5Confident88.1Confident40 Ų4027.5 Ų27.519%0.18717%0.166CC..Hα-helixtrans-54.5-41173.1-72169.4-17700111.1M1110 L1175 K1178 L1179 I1182M1110-E1114 WeakPolarHBondContact O-CG 3.42Å; M1110-E1114 PolarHBondContact O-N 2.88Å; E1114-L1175 HydrophobicContact CG-CD1 3.69Å; E1114-K1178 WeakPolarHBondContact OE1-CD 3.49Å; E1114-K1178 IonicContact OE1-NZ 2.68Å; E1114-K1178 PolarHBondContact OE1-NZ 3.32Å; E1114-K1178 VanDerWaalsContact OE1-NZ 3.08Å; E1114-L1179 HydrophobicContact CB-CD2 4.35Å; E1114-L1179 HydrophobicContact CG-CD2 4.18Å; E1114-I1182 HydrophobicContact CB-CD1 4.42Å
1115I88.7Confident87.6Confident26 Ų2630.6 Ų30.613%0.13318%0.175CC..Hα-helixtrans-71.7-44.6176.4-66.6166.7000111.6G1073 P1074 R1077 S1111 S1112 I1113 W1117 T1118G1073-I1115 WeakPolarHBondContact O-CG2 3.48Å; P1074-I1115 HydrophobicContact CG-CD1 3.69Å; R1077-I1115 HydrophobicContact CB-CG2 3.78Å; R1077-I1115 HydrophobicContact CG-CG2 4.4Å; S1111-I1115 WeakPolarHBondContact O-CG1 3.31Å; S1111-I1115 PolarHBondContact O-N 2.85Å; S1112-I1115 PolarHBondContact O-N 3.09Å; I1113-I1115 PolarHBondContact O-N 3.43Å; I1115-W1117 VanDerWaalsContact C-N 3.26Å; I1115-W1117 PolarHBondContact O-N 3.49Å; I1115-T1118 PolarHBondContact O-N 2.99Å; I1115-T1118 VanDerWaalsContact O-N 3.1Å; I1115-T1118 PolarHBondContact O-OG1 3.33Å
1116I89.4Confident86.9Confident0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-64.8-33.2179.8-68.9165.7000111.4C1076 L1086 V1089 I1090 L1093 S1112 I1113 T1118 L1119 D1120C1076-I1116 HydrophobicContact CB-CG1 4.3Å; L1086-I1116 HydrophobicContact CD1-CG2 3.92Å; L1086-I1116 HydrophobicContact CD2-CG1 4.47Å; L1086-I1116 HydrophobicContact CD2-CG2 3.97Å; L1086-I1116 HydrophobicContact CG-CG2 4.44Å; V1089-I1116 HydrophobicContact CG1-CD1 3.84Å; I1090-I1116 HydrophobicContact CD1-CG2 3.92Å; I1090-I1116 HydrophobicContact CG1-CG2 3.92Å; L1093-I1116 HydrophobicContact CD1-CD1 3.39Å; S1112-I1116 VanDerWaalsContact O-CG1 3.27Å; S1112-I1116 WeakPolarHBondContact O-CG1 3.48Å; S1112-I1116 PolarHBondContact O-N 3.28Å; I1113-I1116 PolarHBondContact O-N 3.46Å; I1116-T1118 PolarHBondContact O-N 3.21Å; I1116-L1119 WeakPolarHBondContact O-CB 3.46Å; I1116-L1119 PolarHBondContact O-N 2.99Å; I1116-D1120 PolarHBondContact O-N 3.34Å; I1116-D1120 VanDerWaalsContact O-N 3.13Å
1117W86Confident86.5Confident13 Ų1333.1 Ų33.15%0.04920%0.195CC..Hα-helixtrans-58.2-34.7173.4177.8-91.8000112.6I1113 I1115 L1119 P1121 T1124 W1125 F1149 L1179I1113-W1117 WeakPolarHBondContact O-CB 3.43Å; I1113-W1117 PolarHBondContact O-N 3.25Å; I1115-W1117 VanDerWaalsContact C-N 3.26Å; I1115-W1117 PolarHBondContact O-N 3.49Å; W1117-L1119 PolarHBondContact O-N 3.39Å; W1117-P1121 HydrophobicContact CD2-CB 3.87Å; W1117-P1121 HydrophobicContact CE3-CB 4.32Å; W1117-P1121 HydrophobicContact CG-CB 4.31Å; W1117-P1121 HydrophobicContact CH2-CB 4.45Å; W1117-P1121 HydrophobicContact CZ2-CB 3.99Å; W1117-P1121 WeakPolarHBondContact CZ3-O 3.34Å; W1117-P1121 WeakPolarHBondContact O-CA 3.41Å; W1117-P1121 WeakPolarHBondContact O-CB 3.34Å; W1117-P1121 VanDerWaalsContact O-CD 3.27Å; W1117-P1121 WeakPolarHBondContact O-CD 3.28Å; W1117-T1124 HydrophobicContact CB-CG2 4.38Å; W1117-T1124 HydrophobicContact CE3-CG2 3.82Å; W1117-W1125 HydrophobicContact CH2-CB 3.88Å; W1117-W1125 AromaticContact CH2-CD1 3.8Å; W1117-W1125 HydrophobicContact CH2-CG 4.22Å; W1117-W1125 HydrophobicContact CZ3-CB 3.55Å; W1117-W1125 HydrophobicContact CZ3-CG 4.22Å; W1117-F1149 HydrophobicContact CZ2-CZ 4.4Å; W1117-L1179 HydrophobicContact CB-CD1 4.41Å; W1117-L1179 HydrophobicContact CB-CD2 3.37Å; W1117-L1179 HydrophobicContact CB-CG 4.41Å; W1117-L1179 HydrophobicContact CD2-CB 3.88Å; W1117-L1179 HydrophobicContact CD2-CD1 3.83Å; W1117-L1179 HydrophobicContact CD2-CD2 3.8Å; W1117-L1179 HydrophobicContact CD2-CG 4.02Å; W1117-L1179 HydrophobicContact CE3-CB 4.27Å; W1117-L1179 HydrophobicContact CE3-CD1 3.54Å; W1117-L1179 HydrophobicContact CE3-CD2 4.36Å; W1117-L1179 HydrophobicContact CE3-CG 4.24Å; W1117-L1179 HydrophobicContact CG-CB 4.22Å; W1117-L1179 HydrophobicContact CG-CD1 4.23Å; W1117-L1179 HydrophobicContact CG-CD2 3.34Å; W1117-L1179 HydrophobicContact CG-CG 4.09Å; W1117-L1179 HydrophobicContact CH2-CB 4.42Å; W1117-L1179 HydrophobicContact CZ2-CB 4.07Å; W1117-L1179 HydrophobicContact CZ3-CB 4.49Å; W1117-L1179 HydrophobicContact CZ3-CD1 3.96Å; W1117-L1179 PolarHBondContact NE1-O 3.31Å
1118T84.4Confident86Confident75 Ų7527.2 Ų27.246%0.4617%0.168SC..THydrogen-bonded Turntrans-68.6-17.9175.868.80000113.4I1115 I1116 I1182I1115-T1118 PolarHBondContact O-N 2.99Å; I1115-T1118 VanDerWaalsContact O-N 3.1Å; I1115-T1118 PolarHBondContact O-OG1 3.33Å; I1116-T1118 PolarHBondContact O-N 3.21Å; T1118-I1182 HydrophobicContact CG2-CG2 4.3Å
1119L84.1Confident85.2Confident41 Ų4128.2 Ų28.222%0.21517%0.172CC..THydrogen-bonded Turntrans-87.7-50.6176-67.3165.8000112.3C1076 R1077 L1082 I1116 W1117C1076-L1119 HydrophobicContact CB-CD1 4.33Å; R1077-L1119 HydrophobicContact CB-CD1 3.84Å; R1077-L1119 HydrophobicContact CB-CD2 4.15Å; R1077-L1119 HydrophobicContact CB-CG 4.11Å; R1077-L1119 HydrophobicContact CG-CD1 4.46Å; R1077-L1119 HydrophobicContact CG-CD2 3.87Å; R1077-L1119 HydrophobicContact CG-CG 4.18Å; L1082-L1119 HydrophobicContact CD2-CB 4.47Å; I1116-L1119 WeakPolarHBondContact O-CB 3.46Å; I1116-L1119 PolarHBondContact O-N 2.99Å; W1117-L1119 PolarHBondContact O-N 3.39Å
1120D85.2Confident84.4Confident28 Ų2834 Ų3415%0.1520%0.203CC..  trans-144.679.3-174.1-169.4-15.9000109.6L1082 S1083 L1086 I1116 G1122 S1123 T1124L1082-D1120 HydrophobicContact CD2-CB 4.32Å; S1083-D1120 WeakPolarHBondContact CA-OD2 3.34Å; S1083-D1120 PolarHBondContact N-OD2 3.16Å; S1083-D1120 VanDerWaalsContact N-OD2 3.15Å; L1086-D1120 HydrophobicContact CD1-CB 3.88Å; I1116-D1120 PolarHBondContact O-N 3.34Å; I1116-D1120 VanDerWaalsContact O-N 3.13Å; D1120-G1122 PolarHBondContact O-N 3.04Å; D1120-G1122 PolarHBondContact OD1-N 3.44Å; D1120-S1123 WeakPolarHBondContact OD1-CB 3.42Å; D1120-S1123 PolarHBondContact OD1-N 3.47Å; D1120-S1123 PolarHBondContact OD1-OG 2.9Å; D1120-S1123 WeakPolarHBondContact OD2-CB 3.1Å; D1120-S1123 PolarHBondContact OD2-OG 3.2Å; D1120-T1124 VanDerWaalsContact O-CB 3.28Å; D1120-T1124 WeakPolarHBondContact O-CB 3.39Å; D1120-T1124 PolarHBondContact O-N 3.05Å; D1120-T1124 PolarHBondContact O-OG1 2.89Å
1121P81.5Confident83.6Confident61 Ų6136.2 Ų36.240%0.39621%0.213SC..Hα-helixtrans-63.7-33.7-177.124.3-32.3000111.1W1117 W1125W1117-P1121 HydrophobicContact CD2-CB 3.87Å; W1117-P1121 HydrophobicContact CE3-CB 4.32Å; W1117-P1121 HydrophobicContact CG-CB 4.31Å; W1117-P1121 HydrophobicContact CH2-CB 4.45Å; W1117-P1121 HydrophobicContact CZ2-CB 3.99Å; W1117-P1121 WeakPolarHBondContact CZ3-O 3.34Å; W1117-P1121 WeakPolarHBondContact O-CA 3.41Å; W1117-P1121 WeakPolarHBondContact O-CB 3.34Å; W1117-P1121 VanDerWaalsContact O-CD 3.27Å; W1117-P1121 WeakPolarHBondContact O-CD 3.28Å; P1121-W1125 WeakPolarHBondContact O-CB 3.28Å; P1121-W1125 PolarHBondContact O-N 3.42Å
1122G79.8Confident82.6Confident48 Ų4835 Ų3550%0.49520%0.203SC..Hα-helixtrans-64.9-53.7179.500000112.5D1120 T1124 W1125 A1126D1120-G1122 PolarHBondContact O-N 3.04Å; D1120-G1122 PolarHBondContact OD1-N 3.44Å; G1122-T1124 VanDerWaalsContact C-N 3.33Å; G1122-T1124 PolarHBondContact O-N 3.14Å; G1122-W1125 PolarHBondContact O-N 3.35Å; G1122-A1126 WeakPolarHBondContact O-CB 3.45Å; G1122-A1126 PolarHBondContact O-N 3.1Å
1123S80.6Confident81.4Confident32 Ų3238.4 Ų38.422%0.22422%0.224CC..Hα-helixtrans-65.2-38.5178-61.10000111.8D1120 A1126 L1127D1120-S1123 WeakPolarHBondContact OD1-CB 3.42Å; D1120-S1123 PolarHBondContact OD1-N 3.47Å; D1120-S1123 PolarHBondContact OD1-OG 2.9Å; D1120-S1123 WeakPolarHBondContact OD2-CB 3.1Å; D1120-S1123 PolarHBondContact OD2-OG 3.2Å; S1123-A1126 PolarHBondContact O-N 2.95Å; S1123-L1127 WeakPolarHBondContact O-CB 3.2Å; S1123-L1127 VanDerWaalsContact O-CG 3.29Å; S1123-L1127 WeakPolarHBondContact O-CG 3.49Å; S1123-L1127 PolarHBondContact O-N 2.76Å
1124T82.6Confident80.2Confident0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-63.8-47.5178.2-53.70000111I1113 W1117 D1120 G1122 L1127 L1128I1113-T1124 HydrophobicContact CG2-CG2 3.79Å; W1117-T1124 HydrophobicContact CB-CG2 4.38Å; W1117-T1124 HydrophobicContact CE3-CG2 3.82Å; D1120-T1124 VanDerWaalsContact O-CB 3.28Å; D1120-T1124 WeakPolarHBondContact O-CB 3.39Å; D1120-T1124 PolarHBondContact O-N 3.05Å; D1120-T1124 PolarHBondContact O-OG1 2.89Å; G1122-T1124 VanDerWaalsContact C-N 3.33Å; G1122-T1124 PolarHBondContact O-N 3.14Å; T1124-L1127 PolarHBondContact O-N 3.03Å; T1124-L1128 HydrophobicContact CG2-CD1 4.09Å; T1124-L1128 HydrophobicContact CG2-CG 4.39Å; T1124-L1128 WeakPolarHBondContact O-CB 3.45Å; T1124-L1128 VanDerWaalsContact O-CG 3.26Å; T1124-L1128 WeakPolarHBondContact O-CG 3.31Å; T1124-L1128 PolarHBondContact O-N 2.91Å
1125W79.3Confident79Confident74 Ų7446.7 Ų46.728%0.2828%0.276SS..Hα-helixtrans-59-49.7176-17385.9000112W1117 P1121 G1122 L1127 L1128 I1129 Y1141 I1152W1117-W1125 HydrophobicContact CH2-CB 3.88Å; W1117-W1125 AromaticContact CH2-CD1 3.8Å; W1117-W1125 HydrophobicContact CH2-CG 4.22Å; W1117-W1125 HydrophobicContact CZ3-CB 3.55Å; W1117-W1125 HydrophobicContact CZ3-CG 4.22Å; P1121-W1125 WeakPolarHBondContact O-CB 3.28Å; P1121-W1125 PolarHBondContact O-N 3.42Å; G1122-W1125 PolarHBondContact O-N 3.35Å; W1125-L1127 VanDerWaalsContact C-N 3.3Å; W1125-L1127 PolarHBondContact O-N 3.33Å; W1125-L1128 PolarHBondContact O-N 3.21Å; W1125-I1129 HydrophobicContact CD2-CD1 3.63Å; W1125-I1129 HydrophobicContact CD2-CG1 4.35Å; W1125-I1129 HydrophobicContact CE3-CD1 3.93Å; W1125-I1129 HydrophobicContact CG-CD1 4.41Å; W1125-I1129 HydrophobicContact CH2-CD1 3.38Å; W1125-I1129 HydrophobicContact CZ2-CD1 3.04Å; W1125-I1129 HydrophobicContact CZ2-CG1 4.42Å; W1125-I1129 HydrophobicContact CZ3-CD1 3.8Å; W1125-I1129 PolarHBondContact O-N 2.64Å; W1125-Y1141 WeakPolarHBondContact CZ2-OH 3.46Å; W1125-I1152 HydrophobicContact CH2-CD1 4.19Å; W1125-I1152 HydrophobicContact CZ2-CD1 3.9Å
1126A78.4Confident77.9Confident50 Ų5046.6 Ų46.641%0.41328%0.275SS..Hα-helixtrans-60.4-41-178.300000111.7G1122 S1123 N1130G1122-A1126 WeakPolarHBondContact O-CB 3.45Å; G1122-A1126 PolarHBondContact O-N 3.1Å; S1123-A1126 PolarHBondContact O-N 2.95Å; A1126-N1130 VanDerWaalsContact O-CB 3.28Å; A1126-N1130 WeakPolarHBondContact O-CB 3.32Å; A1126-N1130 PolarHBondContact O-N 2.92Å
1127L81.8Confident76.7Confident17 Ų1748.2 Ų48.29%0.08928%0.283CS..Hα-helixtrans-73-39.4178.3-70.1169.6000112.5R1087 I1090 S1123 T1124 W1125 I1129 N1130 H1131R1087-L1127 HydrophobicContact CB-CD1 3.97Å; R1087-L1127 HydrophobicContact CG-CD1 3.9Å; R1087-L1127 HydrophobicContact CG-CD2 3.83Å; I1090-L1127 HydrophobicContact CB-CD1 3.98Å; I1090-L1127 HydrophobicContact CD1-CD1 3.68Å; I1090-L1127 HydrophobicContact CG1-CD1 4.44Å; I1090-L1127 HydrophobicContact CG2-CB 3.74Å; I1090-L1127 HydrophobicContact CG2-CD1 4.07Å; S1123-L1127 WeakPolarHBondContact O-CB 3.2Å; S1123-L1127 VanDerWaalsContact O-CG 3.29Å; S1123-L1127 WeakPolarHBondContact O-CG 3.49Å; S1123-L1127 PolarHBondContact O-N 2.76Å; T1124-L1127 PolarHBondContact O-N 3.03Å; W1125-L1127 VanDerWaalsContact C-N 3.3Å; W1125-L1127 PolarHBondContact O-N 3.33Å; L1127-I1129 VanDerWaalsContact C-N 3.32Å; L1127-I1129 PolarHBondContact O-N 2.91Å; L1127-N1130 PolarHBondContact O-N 3.44Å; L1127-H1131 PolarHBondContact O-CD2 2.85Å; L1127-H1131 PolarHBondContact O-N 2.88Å
1128L80.3Confident75.6Confident1 Ų152.1 Ų52.11%0.00530%0.302CS..Hα-helixtrans-59.3-44.1174.3-75.5176.4000111.5V1094 L1097 I1113 T1124 W1125 H1131 L1175 L1176 L1179V1094-L1128 HydrophobicContact CG2-CD2 3.65Å; L1097-L1128 HydrophobicContact CD1-CD2 4.39Å; I1113-L1128 HydrophobicContact CD1-CD2 4.43Å; I1113-L1128 HydrophobicContact CG2-CD1 4.23Å; I1113-L1128 HydrophobicContact CG2-CD2 4.48Å; T1124-L1128 HydrophobicContact CG2-CD1 4.09Å; T1124-L1128 HydrophobicContact CG2-CG 4.39Å; T1124-L1128 WeakPolarHBondContact O-CB 3.45Å; T1124-L1128 VanDerWaalsContact O-CG 3.26Å; T1124-L1128 WeakPolarHBondContact O-CG 3.31Å; T1124-L1128 PolarHBondContact O-N 2.91Å; W1125-L1128 PolarHBondContact O-N 3.21Å; L1128-H1131 PolarHBondContact O-N 3.21Å; L1128-L1175 HydrophobicContact CD1-CD2 4.17Å; L1128-L1175 HydrophobicContact CD2-CD2 4.2Å; L1128-L1176 HydrophobicContact CD1-CD2 4.23Å; L1128-L1179 HydrophobicContact CD1-CD1 3.97Å
1129I76.4Confident74.5Confident27 Ų2749.7 Ų49.714%0.13829%0.288CS..Hα-helixtrans-70.2-37.1179.5-71.8-171.7000112.3W1125 L1127 H1131 L1132 I1137W1125-I1129 HydrophobicContact CD2-CD1 3.63Å; W1125-I1129 HydrophobicContact CD2-CG1 4.35Å; W1125-I1129 HydrophobicContact CE3-CD1 3.93Å; W1125-I1129 HydrophobicContact CG-CD1 4.41Å; W1125-I1129 HydrophobicContact CH2-CD1 3.38Å; W1125-I1129 HydrophobicContact CZ2-CD1 3.04Å; W1125-I1129 HydrophobicContact CZ2-CG1 4.42Å; W1125-I1129 HydrophobicContact CZ3-CD1 3.8Å; W1125-I1129 PolarHBondContact O-N 2.64Å; L1127-I1129 VanDerWaalsContact C-N 3.32Å; L1127-I1129 PolarHBondContact O-N 2.91Å; I1129-H1131 PolarHBondContact O-N 3.37Å; I1129-H1131 VanDerWaalsContact O-N 3.08Å; I1129-L1132 WeakPolarHBondContact O-CB 3.38Å; I1129-L1132 PolarHBondContact O-N 2.88Å; I1129-I1137 HydrophobicContact CG2-CD1 3.61Å; I1129-I1137 HydrophobicContact CG2-CG1 4.07Å
1130N77.5Confident73.4Confident121 Ų12148.1 Ų48.165%0.64728%0.28SS*.Hα-helixtrans-65.3-12.7178.9-165.661.9000113.6A1126 L1127A1126-N1130 VanDerWaalsContact O-CB 3.28Å; A1126-N1130 WeakPolarHBondContact O-CB 3.32Å; A1126-N1130 PolarHBondContact O-N 2.92Å; L1127-N1130 PolarHBondContact O-N 3.44Å
1131H72.4Confident72.1Confident66 Ų6650.7 Ų50.731%0.30629%0.288SS..THydrogen-bonded Turntrans-95.60173.1-76.5-71.6000114N1091 V1094 L1127 L1128 I1129N1091-H1131 PolarHBondContact OD1-NE2 3.32Å; V1094-H1131 HydrophobicContact CG1-CB 3.72Å; L1127-H1131 PolarHBondContact O-CD2 2.85Å; L1127-H1131 PolarHBondContact O-N 2.88Å; L1128-H1131 PolarHBondContact O-N 3.21Å; I1129-H1131 PolarHBondContact O-N 3.37Å; I1129-H1131 VanDerWaalsContact O-N 3.08Å
1132L71.6Confident70.8Confident14 Ų1450.7 Ų50.77%0.07329%0.289CS..SBendtrans-101.4142.5173.9-63.4167.5000109.3I1129 E1136 I1137 I1140 L1169 V1172I1129-L1132 WeakPolarHBondContact O-CB 3.38Å; I1129-L1132 PolarHBondContact O-N 2.88Å; L1132-E1136 WeakPolarHBondContact CA-OE2 3.19Å; L1132-E1136 HydrophobicContact CB-CB 4.1Å; L1132-E1136 HydrophobicContact CD2-CB 4.22Å; L1132-I1137 HydrophobicContact CB-CD1 4.38Å; L1132-I1137 HydrophobicContact CB-CG1 3.73Å; L1132-I1140 HydrophobicContact CD1-CD1 3.31Å; L1132-I1140 HydrophobicContact CD2-CD1 4.4Å; L1132-I1140 HydrophobicContact CG-CD1 4.45Å; L1132-L1169 HydrophobicContact CD2-CD1 4.36Å; L1132-V1172 HydrophobicContact CD1-CG1 3.86Å; L1132-V1172 HydrophobicContact CD2-CB 4.4Å; L1132-V1172 HydrophobicContact CD2-CG1 4.2Å; L1132-V1172 HydrophobicContact CG-CG1 4.35Å
1133T67.6Low69.4Low72 Ų7253.1 Ų53.144%0.44229%0.288SS..  trans-73.3159.1172.657.10000111.6S1135 E1136 I1137T1133-S1135 PolarHBondContact O-N 2.96Å; T1133-S1135 VanDerWaalsContact O-N 3.16Å; T1133-S1135 PolarHBondContact OG1-OG 2.98Å; T1133-E1136 PolarHBondContact N-OE2 3.16Å; T1133-E1136 WeakPolarHBondContact O-CA 3.42Å; T1133-E1136 WeakPolarHBondContact O-CB 3.39Å; T1133-E1136 PolarHBondContact O-N 3.38Å; T1133-E1136 WeakPolarHBondContact OG1-CB 3.4Å; T1133-E1136 VanDerWaalsContact OG1-CD 3.26Å; T1133-E1136 WeakPolarHBondContact OG1-CG 3.32Å; T1133-E1136 PolarHBondContact OG1-N 2.88Å; T1133-E1136 PolarHBondContact OG1-OE2 3.46Å; T1133-I1137 WeakPolarHBondContact O-CG1 3.41Å; T1133-I1137 PolarHBondContact O-N 3.47Å
1134D66.1Low68Low135 Ų13561.5 Ų61.572%0.72232%0.315SS*.Hα-helixtrans-54.8-36.6177.5-74.7-27.5000112.6Q1138D1134-Q1138 WeakPolarHBondContact O-CB 3.5Å; D1134-Q1138 WeakPolarHBondContact O-CG 3.33Å; D1134-Q1138 PolarHBondContact O-N 2.82Å
1135S64.8Low66.3Low80 Ų8064.2 Ų64.256%0.55933%0.328SS*.Hα-helixtrans-65.1-38.9173.646.50000113T1133 C1139T1133-S1135 PolarHBondContact O-N 2.96Å; T1133-S1135 VanDerWaalsContact O-N 3.16Å; T1133-S1135 PolarHBondContact OG1-OG 2.98Å; S1135-C1139 VanDerWaalsContact O-CB 3.31Å; S1135-C1139 WeakPolarHBondContact O-CB 3.32Å; S1135-C1139 PolarHBondContact O-N 3.27Å
1136E66.3Low64.7Low24 Ų2461.6 Ų61.611%0.11232%0.321CS..Hα-helixtrans-71-41.2178.5-75.9177.8146.800111.2L1132 T1133 C1139 I1140 N1166 L1169L1132-E1136 WeakPolarHBondContact CA-OE2 3.19Å; L1132-E1136 HydrophobicContact CB-CB 4.1Å; L1132-E1136 HydrophobicContact CD2-CB 4.22Å; T1133-E1136 PolarHBondContact N-OE2 3.16Å; T1133-E1136 WeakPolarHBondContact O-CA 3.42Å; T1133-E1136 WeakPolarHBondContact O-CB 3.39Å; T1133-E1136 PolarHBondContact O-N 3.38Å; T1133-E1136 WeakPolarHBondContact OG1-CB 3.4Å; T1133-E1136 VanDerWaalsContact OG1-CD 3.26Å; T1133-E1136 WeakPolarHBondContact OG1-CG 3.32Å; T1133-E1136 PolarHBondContact OG1-N 2.88Å; T1133-E1136 PolarHBondContact OG1-OE2 3.46Å; E1136-C1139 WeakPolarHBondContact O-CB 3.39Å; E1136-C1139 PolarHBondContact O-N 3.42Å; E1136-I1140 WeakPolarHBondContact O-CG1 3.04Å; E1136-I1140 PolarHBondContact O-N 3.41Å; E1136-N1166 PolarHBondContact OE1-ND2 2.9Å; E1136-L1169 VanDerWaalsContact CA-CD1 3.48Å; E1136-L1169 HydrophobicContact CB-CD1 3.15Å; E1136-L1169 HydrophobicContact CG-CD1 3.21Å
1137I63.3Low63.2Low33 Ų3367 Ų6717%0.16934%0.335CS..Hα-helixtrans-62.1-49.4173.4-64.8170.2000109.9I1129 L1132 T1133 C1139 I1140 Y1141I1129-I1137 HydrophobicContact CG2-CD1 3.61Å; I1129-I1137 HydrophobicContact CG2-CG1 4.07Å; L1132-I1137 HydrophobicContact CB-CD1 4.38Å; L1132-I1137 HydrophobicContact CB-CG1 3.73Å; T1133-I1137 WeakPolarHBondContact O-CG1 3.41Å; T1133-I1137 PolarHBondContact O-N 3.47Å; I1137-C1139 VanDerWaalsContact C-N 3.26Å; I1137-C1139 PolarHBondContact O-N 3.18Å; I1137-I1140 PolarHBondContact O-N 3.24Å; I1137-Y1141 HydrophobicContact CG2-CD2 3.62Å; I1137-Y1141 HydrophobicContact CG2-CE2 3.41Å; I1137-Y1141 VanDerWaalsContact CG2-CE2 3.41Å; I1137-Y1141 WeakPolarHBondContact O-CD2 3.45Å; I1137-Y1141 PolarHBondContact O-N 2.85Å
1138Q64.5Low61.3Low95 Ų9569.4 Ų69.444%0.44435%0.352SS..Hα-helixtrans-57.9-39.2173.3-85.6-172.8-1700111.7D1134 Y1141 S1142 I1159D1134-Q1138 WeakPolarHBondContact O-CB 3.5Å; D1134-Q1138 WeakPolarHBondContact O-CG 3.33Å; D1134-Q1138 PolarHBondContact O-N 2.82Å; Q1138-Y1141 PolarHBondContact O-N 3.11Å; Q1138-S1142 WeakPolarHBondContact O-CA 3.33Å; Q1138-S1142 WeakPolarHBondContact O-CB 3.49Å; Q1138-S1142 PolarHBondContact O-N 3.4Å; Q1138-S1142 PolarHBondContact O-OG 2.91Å; Q1138-I1159 VanDerWaalsContact OE1-CD1 3.25Å
1139C60.6Low59.3Low25 Ų2573.5 Ų73.517%0.16937%0.369CS..Hα-helixtrans-62-45.3176.1-166.90000111.8S1135 E1136 I1137 Y1141 S1142 Q1143 L1169S1135-C1139 VanDerWaalsContact O-CB 3.31Å; S1135-C1139 WeakPolarHBondContact O-CB 3.32Å; S1135-C1139 PolarHBondContact O-N 3.27Å; E1136-C1139 WeakPolarHBondContact O-CB 3.39Å; E1136-C1139 PolarHBondContact O-N 3.42Å; I1137-C1139 VanDerWaalsContact C-N 3.26Å; I1137-C1139 PolarHBondContact O-N 3.18Å; C1139-Y1141 PolarHBondContact O-N 3.41Å; C1139-S1142 WeakPolarHBondContact CA-OG 3.32Å; C1139-S1142 PolarHBondContact O-OG 3.34Å; C1139-Q1143 VanDerWaalsContact O-CB 3.26Å; C1139-Q1143 WeakPolarHBondContact O-CB 3.33Å; C1139-Q1143 WeakPolarHBondContact O-CG 3.27Å; C1139-Q1143 PolarHBondContact O-N 3Å; C1139-Q1143 PolarHBondContact SG-NE2 3.02Å; C1139-Q1143 VanDerWaalsContact SG-NE2 3.36Å; C1139-L1169 HydrophobicContact CB-CD2 4.43Å
1140I61.1Low57.5Low8 Ų882.1 Ų82.14%0.04141%0.406CS..Hα-helixtrans-61.4-43.3178.3-70.5165000111.5L1132 E1136 I1137 L1145 V1146 L1169 L1176L1132-I1140 HydrophobicContact CD1-CD1 3.31Å; L1132-I1140 HydrophobicContact CD2-CD1 4.4Å; L1132-I1140 HydrophobicContact CG-CD1 4.45Å; E1136-I1140 WeakPolarHBondContact O-CG1 3.04Å; E1136-I1140 PolarHBondContact O-N 3.41Å; I1137-I1140 PolarHBondContact O-N 3.24Å; I1140-L1145 PolarHBondContact O-N 2.94Å; I1140-V1146 HydrophobicContact CG2-CB 4.24Å; I1140-V1146 HydrophobicContact CG2-CG2 3.59Å; I1140-L1169 HydrophobicContact CD1-CG 4.4Å; I1140-L1169 HydrophobicContact CG1-CD2 4.16Å; I1140-L1169 HydrophobicContact CG1-CG 4.27Å; I1140-L1176 HydrophobicContact CD1-CD1 4.2Å; I1140-L1176 HydrophobicContact CG2-CD1 4.41Å
1141Y57.1Low55.4Low82 Ų8283.8 Ų83.832%0.32241%0.413SS..Hα-helixtrans-75.2-43.2178.7-72.7-64.8000113.2W1125 I1137 Q1138 C1139 R1144 I1152W1125-Y1141 WeakPolarHBondContact CZ2-OH 3.46Å; I1137-Y1141 HydrophobicContact CG2-CD2 3.62Å; I1137-Y1141 HydrophobicContact CG2-CE2 3.41Å; I1137-Y1141 VanDerWaalsContact CG2-CE2 3.41Å; I1137-Y1141 WeakPolarHBondContact O-CD2 3.45Å; I1137-Y1141 PolarHBondContact O-N 2.85Å; Q1138-Y1141 PolarHBondContact O-N 3.11Å; C1139-Y1141 PolarHBondContact O-N 3.41Å; Y1141-R1144 PolarHBondContact O-N 3.18Å; Y1141-I1152 HydrophobicContact CD1-CG2 4.49Å; Y1141-I1152 HydrophobicContact CE1-CB 4.45Å; Y1141-I1152 HydrophobicContact CE1-CD1 4.38Å; Y1141-I1152 HydrophobicContact CE1-CG2 3.86Å
1142S54.3Low53.5Low61 Ų6183 Ų8343%0.42741%0.411SS..Hα-helixtrans-68.1-37.7-177.860.60000112.4Q1138 C1139 R1144Q1138-S1142 WeakPolarHBondContact O-CA 3.33Å; Q1138-S1142 WeakPolarHBondContact O-CB 3.49Å; Q1138-S1142 PolarHBondContact O-N 3.4Å; Q1138-S1142 PolarHBondContact O-OG 2.91Å; C1139-S1142 WeakPolarHBondContact CA-OG 3.32Å; C1139-S1142 PolarHBondContact O-OG 3.34Å; S1142-R1144 PolarHBondContact O-N 3.38Å
1143Q50.8Low51.5Low98 Ų9890.7 Ų90.746%0.45845%0.446SS..THydrogen-bonded Turntrans-79.82.2179-65.5-173.3-800113.3C1139 L1145C1139-Q1143 VanDerWaalsContact O-CB 3.26Å; C1139-Q1143 WeakPolarHBondContact O-CB 3.33Å; C1139-Q1143 WeakPolarHBondContact O-CG 3.27Å; C1139-Q1143 PolarHBondContact O-N 3Å; C1139-Q1143 PolarHBondContact SG-NE2 3.02Å; C1139-Q1143 VanDerWaalsContact SG-NE2 3.36Å; Q1143-L1145 HydrophobicContact CB-CD1 3.93Å; Q1143-L1145 HydrophobicContact CB-CG 3.83Å; Q1143-L1145 PolarHBondContact O-N 3.03Å
1144R50.5Low49.9Very low209 Ų20992 Ų9279%0.78945%0.454SS*.THydrogen-bonded Turntrans48.727-171-63.4-179172.9175.5-1.1112.4Y1141 S1142 V1146Y1141-R1144 PolarHBondContact O-N 3.18Å; S1142-R1144 PolarHBondContact O-N 3.38Å; R1144-V1146 PolarHBondContact O-N 3.28Å
1145L48.4Very low48.2Very low56 Ų5696.5 Ų96.529%0.29346%0.463SS..  trans-58.9-40.3-176-88.3165.8000108.8I1140 Q1143 S1173 N1177I1140-L1145 PolarHBondContact O-N 2.94Å; Q1143-L1145 HydrophobicContact CB-CD1 3.93Å; Q1143-L1145 HydrophobicContact CB-CG 3.83Å; Q1143-L1145 PolarHBondContact O-N 3.03Å; L1145-S1173 WeakPolarHBondContact CB-OG 3.22Å; L1145-N1177 VanDerWaalsContact C-OD1 3.24Å; L1145-N1177 PolarHBondContact O-ND2 3.17Å; L1145-N1177 PolarHBondContact O-OD1 3.12Å
1146V45.9Very low46.3Very low20 Ų20101.3 Ų101.312%0.12148%0.476CS..SBendtrans-98.8128.5170.1-177.20000109.2I1140 R1144 P1148 L1176 N1177I1140-V1146 HydrophobicContact CG2-CB 4.24Å; I1140-V1146 HydrophobicContact CG2-CG2 3.59Å; R1144-V1146 PolarHBondContact O-N 3.28Å; V1146-P1148 WeakPolarHBondContact O-CD 3.45Å; V1146-P1148 VanDerWaalsContact O-N 3.16Å; V1146-L1176 HydrophobicContact CG2-CB 3.58Å; V1146-L1176 HydrophobicContact CG2-CD1 4.16Å; V1146-L1176 HydrophobicContact CG2-CG 4.49Å; V1146-N1177 VanDerWaalsContact CA-OD1 3.28Å; V1146-N1177 WeakPolarHBondContact CA-OD1 3.3Å; V1146-N1177 WeakPolarHBondContact CG2-OD1 3.34Å; V1146-N1177 PolarHBondContact N-OD1 3.31Å
1147K45.4Very low44.6Very low164 Ų164107.3 Ų107.371%0.71350%0.504SS*.PPolyproline II helixtrans-57.7120.6165.5-76.1179.8-179.51700106.6F1149 H1180K1147-F1149 PolarHBondContact O-N 3.49Å; K1147-H1180 PolarHBondContact O-CD2 2.75Å; K1147-H1180 PolarHBondContact O-NE2 2.81Å
1148P43.3Very low43Very low67 Ų67114.6 Ų114.644%0.43554%0.537SS..PPolyproline II helixtrans-60.2133.7-178.320.8-29.6000108.9V1146 K1150V1146-P1148 WeakPolarHBondContact O-CD 3.45Å; V1146-P1148 VanDerWaalsContact O-N 3.16Å; P1148-K1150 PolarHBondContact O-N 3.46Å; P1148-K1150 VanDerWaalsContact O-N 3.15Å
1149F37.8Very low41.5Very low86 Ų86114.8 Ų114.838%0.37754%0.54SS..  trans-45.8127.9152.6-83.1-87.9000105.3W1117 K1147 I1151 I1152W1117-F1149 HydrophobicContact CZ2-CZ 4.4Å; K1147-F1149 PolarHBondContact O-N 3.49Å; F1149-I1151 PolarHBondContact O-N 2.73Å; F1149-I1152 PolarHBondContact O-N 2.77Å
1150K37.8Very low40.1Very low208 Ų208120.9 Ų120.990%0.90457%0.571SS**THydrogen-bonded Turntrans-50.2-13.7-175.7-89.9-178.8174177.90114.5P1148P1148-K1150 PolarHBondContact O-N 3.46Å; P1148-K1150 VanDerWaalsContact O-N 3.15Å
1151I34.6Very low38.8Very low157 Ų157123.5 Ų123.581%0.80560%0.6SS**THydrogen-bonded Turntrans-78.7-19.3176.9-66.9168000113.6F1149F1149-I1151 PolarHBondContact O-N 2.73Å
1152I32.7Very low37.8Very low48 Ų48127.3 Ų127.325%0.24662%0.62CS.*  trans-112.267.6-176.9-45177.6000110.4W1125 Y1141 F1149 V1154W1125-I1152 HydrophobicContact CH2-CD1 4.19Å; W1125-I1152 HydrophobicContact CZ2-CD1 3.9Å; Y1141-I1152 HydrophobicContact CD1-CG2 4.49Å; Y1141-I1152 HydrophobicContact CE1-CB 4.45Å; Y1141-I1152 HydrophobicContact CE1-CD1 4.38Å; Y1141-I1152 HydrophobicContact CE1-CG2 3.86Å; F1149-I1152 PolarHBondContact O-N 2.77Å; I1152-V1154 HydrophobicContact CG2-CB 4.39Å
1153Q28.2Very low37.1Very low176 Ų176134.6 Ų134.682%0.82264%0.644SS**  trans-95.376.5159.3-81.3-174.8-20.300108.1
1154V34Very low36.6Very low101 Ų101137 Ų13761%0.61266%0.661SS**  trans-133.5109.3-173.1174.60000108.7I1152I1152-V1154 HydrophobicContact CG2-CB 4.39Å
1155Y31.3Very low36.3Very low228 Ų228130.1 Ų130.189%0.89464%0.639SS**  trans68.3110.9163.3-71.1-99.3000120.4
1156H25.3Very low36.4Very low181 Ų181131.3 Ų131.384%0.83865%0.646SS**  trans-71.2121.6162.7-99.7-55.5000111.1
1157H30.9Very low36.7Very low151 Ų151132.5 Ų132.570%0.69966%0.655SS**  trans-138.7125.7145.9-94-26.5000109.5I1159H1157-I1159 PolarHBondContact O-N 2.82Å
1158Q29.3Very low37.1Very low185 Ų185126.5 Ų126.586%0.86463%0.629SS**  trans-66.4113.8168.8-77.6170.9-4900107.4
1159I33.1Very low37.9Very low99 Ų99123.5 Ų123.551%0.50861%0.609SS.*  trans-110.6104167.1-61.6178.5000106.7Q1138 H1157Q1138-I1159 VanDerWaalsContact OE1-CD1 3.25Å; H1157-I1159 PolarHBondContact O-N 2.82Å
1160D30.8Very low39.3Very low153 Ų153124.1 Ų124.182%0.81861%0.613SS**  trans-68.6129.5170.7-79-42.1000110.1
1161G33.9Very low40.7Very low63 Ų63115 Ų11565%0.64957%0.574SS**  trans79.874.614900000118.3
1162H35.2Very low42.4Very low162 Ų162107.7 Ų107.775%0.7554%0.536SS*.  trans-130106.3147.9-83.5-76.8000110.2D1164H1162-D1164 VanDerWaalsContact C-N 3.29Å
1163K40Very low44Very low214 Ų214105.6 Ų105.693%0.9353%0.526SS*.  trans-77.7-9.8176.9-85.4-175.8174.6179.30113.7
1164D39.7Very low45.9Very low150 Ų150100.5 Ų100.580%0.80250%0.504SS*.  trans-102.176.2172.3-77.7-31.1000108.8H1162 N1166H1162-D1164 VanDerWaalsContact C-N 3.29Å; D1164-N1166 PolarHBondContact O-N 3.27Å
1165L44.3Very low47.7Very low63 Ų6395.7 Ų95.733%0.3348%0.475SS..  trans-63.4108.5166.4-157.481.2000106.3S1167 L1169L1165-S1167 PolarHBondContact O-N 2.98Å; L1165-L1169 HydrophobicContact CD1-CD2 3.63Å; L1165-L1169 HydrophobicContact CD2-CD2 4.1Å; L1165-L1169 HydrophobicContact CG-CD2 3.82Å
1166N51.6Low49.5Very low82 Ų8285.2 Ų85.244%0.43943%0.434SS..  trans-49.9109.4175.5-168.33.3000107.7E1136 D1164 K1168 L1169 Q1170E1136-N1166 PolarHBondContact OE1-ND2 2.9Å; D1164-N1166 PolarHBondContact O-N 3.27Å; N1166-K1168 PolarHBondContact O-N 3.36Å; N1166-L1169 HydrophobicContact CB-CB 4.47Å; N1166-L1169 VanDerWaalsContact O-CA 3.25Å; N1166-L1169 WeakPolarHBondContact O-CA 3.13Å; N1166-L1169 WeakPolarHBondContact O-CB 3.22Å; N1166-L1169 PolarHBondContact O-N 3.22Å; N1166-Q1170 PolarHBondContact O-N 3.43Å
1167S51.9Low51.6Low44 Ų4478.9 Ų78.931%0.30841%0.407SS..Hα-helixtrans-63.2-11.7-170.623.60000114.7N1099 L1165 L1169 Q1170 N1171N1099-S1167 WeakPolarHBondContact ND2-CA 3.38Å; N1099-S1167 WeakPolarHBondContact ND2-CB 3.47Å; N1099-S1167 PolarHBondContact ND2-N 3.42Å; N1099-S1167 PolarHBondContact ND2-OG 3.28Å; N1099-S1167 WeakPolarHBondContact OD1-CA 3.4Å; N1099-S1167 WeakPolarHBondContact OD1-CB 3.42Å; N1099-S1167 PolarHBondContact OD1-O 3.29Å; N1099-S1167 PolarHBondContact OD1-OG 3.14Å; L1165-S1167 PolarHBondContact O-N 2.98Å; S1167-L1169 VanDerWaalsContact C-N 3.26Å; S1167-L1169 PolarHBondContact O-N 2.87Å; S1167-Q1170 CarbonylContact O-C 3.58Å; S1167-Q1170 WeakPolarHBondContact O-CA 3.23Å; S1167-Q1170 VanDerWaalsContact O-CB 3.23Å; S1167-Q1170 WeakPolarHBondContact O-CB 3.5Å; S1167-Q1170 PolarHBondContact O-N 3.07Å; S1167-N1171 PolarHBondContact O-N 2.73Å
1168K54.6Low53.4Low39 Ų3975.9 Ų75.917%0.1739%0.391CS..Hα-helixtrans-57.7-42.5162-174.2-177.7178.5-170.70110.7N1099 N1166 Q1170 N1171 V1172N1099-K1168 PolarHBondContact ND2-N 3.49Å; N1099-K1168 PolarHBondContact OD1-N 2.88Å; N1166-K1168 PolarHBondContact O-N 3.36Å; K1168-Q1170 VanDerWaalsContact C-N 3.3Å; K1168-Q1170 PolarHBondContact O-N 3.38Å; K1168-N1171 PolarHBondContact O-N 3.11Å; K1168-V1172 WeakPolarHBondContact O-CB 3.46Å; K1168-V1172 VanDerWaalsContact O-CG2 3.31Å; K1168-V1172 WeakPolarHBondContact O-CG2 3.2Å; K1168-V1172 PolarHBondContact O-N 2.92Å
1169L59.2Low55.2Low4 Ų467 Ų672%0.02135%0.35CS..Hα-helixtrans-61.8-36.5169.6-155.8121.3000112L1132 E1136 C1139 I1140 L1165 N1166 S1167 S1173L1132-L1169 HydrophobicContact CD2-CD1 4.36Å; E1136-L1169 VanDerWaalsContact CA-CD1 3.48Å; E1136-L1169 HydrophobicContact CB-CD1 3.15Å; E1136-L1169 HydrophobicContact CG-CD1 3.21Å; C1139-L1169 HydrophobicContact CB-CD2 4.43Å; I1140-L1169 HydrophobicContact CD1-CG 4.4Å; I1140-L1169 HydrophobicContact CG1-CD2 4.16Å; I1140-L1169 HydrophobicContact CG1-CG 4.27Å; L1165-L1169 HydrophobicContact CD1-CD2 3.63Å; L1165-L1169 HydrophobicContact CD2-CD2 4.1Å; L1165-L1169 HydrophobicContact CG-CD2 3.82Å; N1166-L1169 HydrophobicContact CB-CB 4.47Å; N1166-L1169 VanDerWaalsContact O-CA 3.25Å; N1166-L1169 WeakPolarHBondContact O-CA 3.13Å; N1166-L1169 WeakPolarHBondContact O-CB 3.22Å; N1166-L1169 PolarHBondContact O-N 3.22Å; S1167-L1169 VanDerWaalsContact C-N 3.26Å; S1167-L1169 PolarHBondContact O-N 2.87Å; L1169-S1173 WeakPolarHBondContact O-CA 3.43Å; L1169-S1173 WeakPolarHBondContact O-CB 3.2Å; L1169-S1173 PolarHBondContact O-N 3.39Å
1170Q66.3Low56.7Low99 Ų9963.8 Ų63.846%0.46333%0.333SS..Hα-helixtrans-64-48175-173-177.11.200110.8N1166 S1167 K1168 S1173 I1174N1166-Q1170 PolarHBondContact O-N 3.43Å; S1167-Q1170 CarbonylContact O-C 3.58Å; S1167-Q1170 WeakPolarHBondContact O-CA 3.23Å; S1167-Q1170 VanDerWaalsContact O-CB 3.23Å; S1167-Q1170 WeakPolarHBondContact O-CB 3.5Å; S1167-Q1170 PolarHBondContact O-N 3.07Å; K1168-Q1170 VanDerWaalsContact C-N 3.3Å; K1168-Q1170 PolarHBondContact O-N 3.38Å; Q1170-S1173 PolarHBondContact O-N 3.09Å; Q1170-I1174 HydrophobicContact CG-CD1 3.79Å; Q1170-I1174 HydrophobicContact CG-CG1 4.42Å; Q1170-I1174 WeakPolarHBondContact O-CB 3.38Å; Q1170-I1174 WeakPolarHBondContact O-CD1 3.32Å; Q1170-I1174 WeakPolarHBondContact O-CG1 3.45Å; Q1170-I1174 PolarHBondContact O-N 3.4Å
1171N68.4Low58.2Low17 Ų1762.8 Ų62.89%0.09132%0.323CS..Hα-helixtrans-63.6-46.4176.9-77.5-24.6000112.3L1097 Q1106 S1167 K1168 S1173 I1174 L1175L1097-N1171 PolarHBondContact O-ND2 2.94Å; Q1106-N1171 PolarHBondContact OE1-ND2 2.93Å; S1167-N1171 PolarHBondContact O-N 2.73Å; K1168-N1171 PolarHBondContact O-N 3.11Å; N1171-S1173 VanDerWaalsContact C-N 3.33Å; N1171-S1173 PolarHBondContact O-N 3.34Å; N1171-I1174 PolarHBondContact O-N 2.96Å; N1171-L1175 WeakPolarHBondContact O-CB 3.37Å; N1171-L1175 PolarHBondContact O-N 3.32Å
1172V69.4Low59.3Low2 Ų262.3 Ų62.31%0.01231%0.305CS..Hα-helixtrans-65.1-38.2176.9175.60000111L1097 L1132 K1168 L1175 L1176L1097-V1172 HydrophobicContact CD1-CG2 3.92Å; L1132-V1172 HydrophobicContact CD1-CG1 3.86Å; L1132-V1172 HydrophobicContact CD2-CB 4.4Å; L1132-V1172 HydrophobicContact CD2-CG1 4.2Å; L1132-V1172 HydrophobicContact CG-CG1 4.35Å; K1168-V1172 WeakPolarHBondContact O-CB 3.46Å; K1168-V1172 VanDerWaalsContact O-CG2 3.31Å; K1168-V1172 WeakPolarHBondContact O-CG2 3.2Å; K1168-V1172 PolarHBondContact O-N 2.92Å; V1172-L1175 PolarHBondContact O-N 2.92Å; V1172-L1176 HydrophobicContact CG1-CD1 3.87Å; V1172-L1176 HydrophobicContact CG1-CG 4.23Å; V1172-L1176 WeakPolarHBondContact O-CB 3.33Å; V1172-L1176 VanDerWaalsContact O-CG 3.23Å; V1172-L1176 WeakPolarHBondContact O-CG 3.46Å; V1172-L1176 PolarHBondContact O-N 3.42Å
1173S66.2Low60.4Low4 Ų455.7 Ų55.73%0.02828%0.277CS..Hα-helixtrans-67.5-45.3175.5177.90000112.2L1145 L1169 Q1170 N1171 L1175 L1176 N1177L1145-S1173 WeakPolarHBondContact CB-OG 3.22Å; L1169-S1173 WeakPolarHBondContact O-CA 3.43Å; L1169-S1173 WeakPolarHBondContact O-CB 3.2Å; L1169-S1173 PolarHBondContact O-N 3.39Å; Q1170-S1173 PolarHBondContact O-N 3.09Å; N1171-S1173 VanDerWaalsContact C-N 3.33Å; N1171-S1173 PolarHBondContact O-N 3.34Å; S1173-L1175 VanDerWaalsContact C-N 3.26Å; S1173-L1175 PolarHBondContact O-N 2.86Å; S1173-L1176 PolarHBondContact O-N 3.16Å; S1173-N1177 WeakPolarHBondContact O-CB 3.2Å; S1173-N1177 PolarHBondContact O-N 3.05Å; S1173-N1177 PolarHBondContact O-ND2 3.22Å; S1173-N1177 PolarHBondContact O-OD1 2.85Å
1174I69.4Low61.1Low69 Ų6948.4 Ų48.435%0.35425%0.251SS..Hα-helixtrans-57.8-45.1174.3-72.4165.1000109.3Q1170 N1171 N1177 K1178Q1170-I1174 HydrophobicContact CG-CD1 3.79Å; Q1170-I1174 HydrophobicContact CG-CG1 4.42Å; Q1170-I1174 WeakPolarHBondContact O-CB 3.38Å; Q1170-I1174 WeakPolarHBondContact O-CD1 3.32Å; Q1170-I1174 WeakPolarHBondContact O-CG1 3.45Å; Q1170-I1174 PolarHBondContact O-N 3.4Å; N1171-I1174 PolarHBondContact O-N 2.96Å; I1174-N1177 PolarHBondContact O-N 3.43Å; I1174-K1178 WeakPolarHBondContact O-CG 3.43Å; I1174-K1178 PolarHBondContact O-N 3.4Å
1175L70.3Confident61.5Low0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-62.6-53178-176.765.6000111.1L1097 M1110 I1113 E1114 L1128 N1171 V1172 S1173 N1177 K1178 L1179L1097-L1175 HydrophobicContact CD1-CD2 4Å; M1110-L1175 HydrophobicContact CB-CD1 4.33Å; M1110-L1175 HydrophobicContact CG-CD1 4.48Å; I1113-L1175 HydrophobicContact CB-CD1 4.4Å; I1113-L1175 HydrophobicContact CB-CD2 4.04Å; I1113-L1175 HydrophobicContact CD1-CD2 3.81Å; I1113-L1175 HydrophobicContact CG2-CD1 4.43Å; I1113-L1175 HydrophobicContact CG2-CD2 3.73Å; I1113-L1175 HydrophobicContact CG2-CG 4.45Å; E1114-L1175 HydrophobicContact CG-CD1 3.69Å; L1128-L1175 HydrophobicContact CD1-CD2 4.17Å; L1128-L1175 HydrophobicContact CD2-CD2 4.2Å; N1171-L1175 WeakPolarHBondContact O-CB 3.37Å; N1171-L1175 PolarHBondContact O-N 3.32Å; V1172-L1175 PolarHBondContact O-N 2.92Å; S1173-L1175 VanDerWaalsContact C-N 3.26Å; S1173-L1175 PolarHBondContact O-N 2.86Å; L1175-N1177 PolarHBondContact O-N 3.06Å; L1175-K1178 PolarHBondContact O-N 2.8Å; L1175-K1178 VanDerWaalsContact O-N 3.14Å; L1175-L1179 HydrophobicContact CD1-CD1 4.17Å; L1175-L1179 HydrophobicContact CD1-CD2 4.49Å; L1175-L1179 HydrophobicContact CD1-CG 4.18Å; L1175-L1179 HydrophobicContact CD2-CD1 4.46Å; L1175-L1179 HydrophobicContact CG-CD1 3.76Å; L1175-L1179 HydrophobicContact CG-CG 4.2Å; L1175-L1179 WeakPolarHBondContact O-CB 3.2Å; L1175-L1179 WeakPolarHBondContact O-CG 3.28Å; L1175-L1179 PolarHBondContact O-N 3.41Å
1176L70.5Confident61.7Low8 Ų849.7 Ų49.74%0.04226%0.26CS..Hα-helixtrans-57.3-35.6178.2-73.8169.4000112.5L1128 I1140 V1146 V1172 S1173 H1180L1128-L1176 HydrophobicContact CD1-CD2 4.23Å; I1140-L1176 HydrophobicContact CD1-CD1 4.2Å; I1140-L1176 HydrophobicContact CG2-CD1 4.41Å; V1146-L1176 HydrophobicContact CG2-CB 3.58Å; V1146-L1176 HydrophobicContact CG2-CD1 4.16Å; V1146-L1176 HydrophobicContact CG2-CG 4.49Å; V1172-L1176 HydrophobicContact CG1-CD1 3.87Å; V1172-L1176 HydrophobicContact CG1-CG 4.23Å; V1172-L1176 WeakPolarHBondContact O-CB 3.33Å; V1172-L1176 VanDerWaalsContact O-CG 3.23Å; V1172-L1176 WeakPolarHBondContact O-CG 3.46Å; V1172-L1176 PolarHBondContact O-N 3.42Å; S1173-L1176 PolarHBondContact O-N 3.16Å; L1176-H1180 WeakPolarHBondContact O-CB 2.85Å; L1176-H1180 PolarHBondContact O-N 3.38Å
1177N68.4Low61.3Low49 Ų4951.3 Ų51.326%0.26227%0.273SS..Hα-helixtrans-66.8-48.2175.8-71.6-7000112.3L1145 V1146 S1173 I1174 L1175 H1180 E1181L1145-N1177 VanDerWaalsContact C-OD1 3.24Å; L1145-N1177 PolarHBondContact O-ND2 3.17Å; L1145-N1177 PolarHBondContact O-OD1 3.12Å; V1146-N1177 VanDerWaalsContact CA-OD1 3.28Å; V1146-N1177 WeakPolarHBondContact CA-OD1 3.3Å; V1146-N1177 WeakPolarHBondContact CG2-OD1 3.34Å; V1146-N1177 PolarHBondContact N-OD1 3.31Å; S1173-N1177 WeakPolarHBondContact O-CB 3.2Å; S1173-N1177 PolarHBondContact O-N 3.05Å; S1173-N1177 PolarHBondContact O-ND2 3.22Å; S1173-N1177 PolarHBondContact O-OD1 2.85Å; I1174-N1177 PolarHBondContact O-N 3.43Å; L1175-N1177 PolarHBondContact O-N 3.06Å; N1177-H1180 WeakPolarHBondContact O-CB 3.09Å; N1177-H1180 PolarHBondContact O-N 2.9Å; N1177-E1181 PolarHBondContact O-N 3.07Å
1178K68.8Low60.5Low87 Ų8760 Ų6038%0.37831%0.305SS..Hα-helixtrans-61.8-42.7174.3-75.6-177.7171.9-174.40112.4E1114 I1174 L1175 H1180 E1181 I1182E1114-K1178 WeakPolarHBondContact OE1-CD 3.49Å; E1114-K1178 IonicContact OE1-NZ 2.68Å; E1114-K1178 PolarHBondContact OE1-NZ 3.32Å; E1114-K1178 VanDerWaalsContact OE1-NZ 3.08Å; I1174-K1178 WeakPolarHBondContact O-CG 3.43Å; I1174-K1178 PolarHBondContact O-N 3.4Å; L1175-K1178 PolarHBondContact O-N 2.8Å; L1175-K1178 VanDerWaalsContact O-N 3.14Å; K1178-H1180 PolarHBondContact O-N 2.83Å; K1178-E1181 WeakPolarHBondContact O-CB 3.37Å; K1178-E1181 PolarHBondContact O-N 2.93Å; K1178-I1182 WeakPolarHBondContact O-CG1 3.43Å; K1178-I1182 PolarHBondContact O-N 2.82Å
1179L66.3Low60.8Low0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-62-33.2177.9-69.8176.8000111.7E1114 W1117 L1128 L1175 I1182 S1183E1114-L1179 HydrophobicContact CB-CD2 4.35Å; E1114-L1179 HydrophobicContact CG-CD2 4.18Å; W1117-L1179 HydrophobicContact CB-CD1 4.41Å; W1117-L1179 HydrophobicContact CB-CD2 3.37Å; W1117-L1179 HydrophobicContact CB-CG 4.41Å; W1117-L1179 HydrophobicContact CD2-CB 3.88Å; W1117-L1179 HydrophobicContact CD2-CD1 3.83Å; W1117-L1179 HydrophobicContact CD2-CD2 3.8Å; W1117-L1179 HydrophobicContact CD2-CG 4.02Å; W1117-L1179 HydrophobicContact CE3-CB 4.27Å; W1117-L1179 HydrophobicContact CE3-CD1 3.54Å; W1117-L1179 HydrophobicContact CE3-CD2 4.36Å; W1117-L1179 HydrophobicContact CE3-CG 4.24Å; W1117-L1179 HydrophobicContact CG-CB 4.22Å; W1117-L1179 HydrophobicContact CG-CD1 4.23Å; W1117-L1179 HydrophobicContact CG-CD2 3.34Å; W1117-L1179 HydrophobicContact CG-CG 4.09Å; W1117-L1179 HydrophobicContact CH2-CB 4.42Å; W1117-L1179 HydrophobicContact CZ2-CB 4.07Å; W1117-L1179 HydrophobicContact CZ3-CB 4.49Å; W1117-L1179 HydrophobicContact CZ3-CD1 3.96Å; W1117-L1179 PolarHBondContact NE1-O 3.31Å; L1128-L1179 HydrophobicContact CD1-CD1 3.97Å; L1175-L1179 HydrophobicContact CD1-CD1 4.17Å; L1175-L1179 HydrophobicContact CD1-CD2 4.49Å; L1175-L1179 HydrophobicContact CD1-CG 4.18Å; L1175-L1179 HydrophobicContact CD2-CD1 4.46Å; L1175-L1179 HydrophobicContact CG-CD1 3.76Å; L1175-L1179 HydrophobicContact CG-CG 4.2Å; L1175-L1179 WeakPolarHBondContact O-CB 3.2Å; L1175-L1179 WeakPolarHBondContact O-CG 3.28Å; L1175-L1179 PolarHBondContact O-N 3.41Å; L1179-I1182 HydrophobicContact CD2-CD1 4.27Å; L1179-S1183 PolarHBondContact O-N 3.18Å; L1179-S1183 VanDerWaalsContact O-N 3.07Å; L1179-S1183 PolarHBondContact O-OG 3.37Å
1180H64.9Low60.8Low30 Ų3064 Ų6414%0.13933%0.327CS..Hα-helixtrans-72.1-36.8172-161.4-31.9000112.5K1147 L1176 N1177 K1178 S1183 V1184K1147-H1180 PolarHBondContact O-CD2 2.75Å; K1147-H1180 PolarHBondContact O-NE2 2.81Å; L1176-H1180 WeakPolarHBondContact O-CB 2.85Å; L1176-H1180 PolarHBondContact O-N 3.38Å; N1177-H1180 WeakPolarHBondContact O-CB 3.09Å; N1177-H1180 PolarHBondContact O-N 2.9Å; K1178-H1180 PolarHBondContact O-N 2.83Å; H1180-S1183 WeakPolarHBondContact CA-OG 3.49Å; H1180-S1183 PolarHBondContact O-N 2.96Å; H1180-S1183 PolarHBondContact O-OG 3.18Å; H1180-V1184 WeakPolarHBondContact ND1-CG2 3.4Å; H1180-V1184 VanDerWaalsContact O-CG2 3.27Å; H1180-V1184 WeakPolarHBondContact O-CG2 3.2Å; H1180-V1184 PolarHBondContact O-N 3.14Å
1181E62.3Low60.5Low132 Ų13262.1 Ų62.162%0.61732%0.32SS*.Hα-helixtrans-62.5-43.6172.5-72.117916800111.3N1177 K1178 S1183 V1184 E1185N1177-E1181 PolarHBondContact O-N 3.07Å; K1178-E1181 WeakPolarHBondContact O-CB 3.37Å; K1178-E1181 PolarHBondContact O-N 2.93Å; E1181-S1183 PolarHBondContact O-N 3.22Å; E1181-V1184 PolarHBondContact O-N 3.49Å; E1181-E1185 PolarHBondContact O-N 3.18Å
1182I58.3Low60.1Low54 Ų5464.7 Ų64.728%0.27733%0.333SS..Hα-helixtrans-60-43.6175.9-66.1166.1000111.2E1114 T1118 K1178 L1179 V1184 E1185 S1186E1114-I1182 HydrophobicContact CB-CD1 4.42Å; T1118-I1182 HydrophobicContact CG2-CG2 4.3Å; K1178-I1182 WeakPolarHBondContact O-CG1 3.43Å; K1178-I1182 PolarHBondContact O-N 2.82Å; L1179-I1182 HydrophobicContact CD2-CD1 4.27Å; I1182-V1184 VanDerWaalsContact C-N 3.35Å; I1182-E1185 PolarHBondContact O-N 2.71Å; I1182-S1186 PolarHBondContact O-N 2.68Å; I1182-S1186 PolarHBondContact O-OG 3.29Å
1183S57.7Low59.5Low22 Ų2268.6 Ų68.615%0.15435%0.353CS..Hα-helixtrans-67.1-36.4178.261.10000112L1179 H1180 E1181 S1186 T1187L1179-S1183 PolarHBondContact O-N 3.18Å; L1179-S1183 VanDerWaalsContact O-N 3.07Å; L1179-S1183 PolarHBondContact O-OG 3.37Å; H1180-S1183 WeakPolarHBondContact CA-OG 3.49Å; H1180-S1183 PolarHBondContact O-N 2.96Å; H1180-S1183 PolarHBondContact O-OG 3.18Å; E1181-S1183 PolarHBondContact O-N 3.22Å; S1183-S1186 PolarHBondContact O-N 3.16Å; S1183-S1186 PolarHBondContact O-OG 2.77Å; S1183-T1187 WeakPolarHBondContact O-CG2 3.3Å; S1183-T1187 PolarHBondContact O-N 2.8Å; S1183-T1187 VanDerWaalsContact O-N 3.16Å; S1183-T1187 PolarHBondContact O-OG1 3.5Å
1184V54.4Low59Low62 Ų6272.9 Ų72.938%0.37638%0.375SS..Hα-helixtrans-67.8-40.4175.31730000111.9H1180 E1181 I1182 T1187 K1188H1180-V1184 WeakPolarHBondContact ND1-CG2 3.4Å; H1180-V1184 VanDerWaalsContact O-CG2 3.27Å; H1180-V1184 WeakPolarHBondContact O-CG2 3.2Å; H1180-V1184 PolarHBondContact O-N 3.14Å; E1181-V1184 PolarHBondContact O-N 3.49Å; I1182-V1184 VanDerWaalsContact C-N 3.35Å; V1184-T1187 WeakPolarHBondContact CA-OG1 3.2Å; V1184-T1187 PolarHBondContact O-N 3Å; V1184-T1187 PolarHBondContact O-OG1 2.7Å; V1184-K1188 PolarHBondContact O-N 2.91Å
1185E49.4Very low58.3Low146 Ų14673.2 Ų73.268%0.68238%0.377SS*.Hα-helixtrans-64.1-41.7172.9-86.2-174.9161.800112.2E1181 I1182 T1187 K1188E1181-E1185 PolarHBondContact O-N 3.18Å; I1182-E1185 PolarHBondContact O-N 2.71Å; E1185-T1187 PolarHBondContact O-N 3.06Å; E1185-K1188 PolarHBondContact O-N 2.89Å; E1185-K1188 VanDerWaalsContact O-N 3.16Å
1186S47.8Very low57.4Low94 Ų9478.8 Ų78.866%0.65741%0.406SS*.Hα-helixtrans-66.6-22.2177.471.40000114I1182 S1183I1182-S1186 PolarHBondContact O-N 2.68Å; I1182-S1186 PolarHBondContact O-OG 3.29Å; S1183-S1186 PolarHBondContact O-N 3.16Å; S1183-S1186 PolarHBondContact O-OG 2.77Å
1187T43.9Very low56.3Low116 Ų11684.8 Ų84.871%0.71244%0.436SS*.Hα-helixtrans-88.8-15.6175.154.10000114S1183 V1184 E1185S1183-T1187 WeakPolarHBondContact O-CG2 3.3Å; S1183-T1187 PolarHBondContact O-N 2.8Å; S1183-T1187 VanDerWaalsContact O-N 3.16Å; S1183-T1187 PolarHBondContact O-OG1 3.5Å; V1184-T1187 WeakPolarHBondContact CA-OG1 3.2Å; V1184-T1187 PolarHBondContact O-N 3Å; V1184-T1187 PolarHBondContact O-OG1 2.7Å; E1185-T1187 PolarHBondContact O-N 3.06Å
1188K33.3Very low55.2Low225 Ų22588 Ų8898%0.97845%0.452SS*.  trans-870173-86.4-174.4174.7-178.20109.8V1184 E1185V1184-K1188 PolarHBondContact O-N 2.91Å; E1185-K1188 PolarHBondContact O-N 2.89Å; E1185-K1188 VanDerWaalsContact O-N 3.16Å

Retrieved 1,188 of 1,188 residues in 486.3 ms (Link to these results)

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