A0A087WZL0_HUMAN Loading...

Pleckstrin homology like domain family B member 1

AlphaFold DB , UniProt , Accession A0A087WZL0, Species HUMAN (Homo sapiens, Human), Gene PHLDB1, Length 641 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
1Q83.4Confident91.7Very high200 Ų20070.6 Ų70.694%0.93535%0.353SS*.  0-65.10-69.2174.1-7.500110.6L3 G4 H5Q1-L3 PolarHBondContact O-N 3.3Å; Q1-G4 WeakPolarHBondContact O-CA 3.49Å; Q1-G4 PolarHBondContact O-N 2.85Å; Q1-H5 PolarHBondContact O-N 3.29Å; Q1-H5 VanDerWaalsContact O-N 3.09Å
2V88.2Confident92.1Very high26 Ų2672.7 Ų72.716%0.15835%0.354CS..Hα-helixtrans-51.7-47.6178.4179.40000113.9G4 H5 V6 E205 K208 L209 L212V2-G4 PolarHBondContact O-N 3.38Å; V2-H5 PolarHBondContact O-N 3.04Å; V2-H5 VanDerWaalsContact O-N 3.12Å; V2-V6 HydrophobicContact CG1-CG2 4.37Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 3.46Å; V2-E205 WeakPolarHBondContact CG1-O 3.44Å; V2-K208 HydrophobicContact CG1-CB 4.43Å; V2-L209 HydrophobicContact CG1-CB 3.84Å; V2-L209 HydrophobicContact CG1-CD1 4.25Å; V2-L212 HydrophobicContact CB-CD1 4.24Å; V2-L212 HydrophobicContact CG2-CD1 3.76Å
3L86.9Confident92.5Very high22 Ų2268.2 Ų68.212%0.11533%0.333CS..Hα-helixtrans-56.9-35.3174.4-78.5174.1000113.6Q1 E7 L209 F225 T229 L232Q1-L3 PolarHBondContact O-N 3.3Å; L3-E7 PolarHBondContact O-N 3.46Å; L3-E7 VanDerWaalsContact O-N 3.12Å; L3-L209 HydrophobicContact CD2-CD1 3.77Å; L3-L209 HydrophobicContact CD2-CD2 3.59Å; L3-L209 HydrophobicContact CD2-CG 4.34Å; L3-L209 HydrophobicContact CG-CD1 3.86Å; L3-F225 HydrophobicContact CD1-CE1 4.15Å; L3-T229 HydrophobicContact CB-CG2 3.85Å; L3-L232 HydrophobicContact CD1-CD1 3.35Å
4G88.3Confident92.8Very high21 Ų2174.1 Ų74.122%0.21636%0.356CS..Hα-helixtrans-69.8-41.2176.500000112.1Q1 V2 E7 Q8Q1-G4 WeakPolarHBondContact O-CA 3.49Å; Q1-G4 PolarHBondContact O-N 2.85Å; V2-G4 PolarHBondContact O-N 3.38Å; G4-E7 PolarHBondContact O-N 3.02Å; G4-Q8 WeakPolarHBondContact O-CB 3.38Å; G4-Q8 VanDerWaalsContact O-CG 3.32Å; G4-Q8 WeakPolarHBondContact O-CG 3.39Å; G4-Q8 PolarHBondContact O-N 3.45Å
5H92.3Very high93.1Very high87 Ų8774.8 Ų74.840%0.40336%0.359SS..Hα-helixtrans-66.1-41.1175.1-64.3172.6000112.1Q1 V2 E7 Q8 L9 E205Q1-H5 PolarHBondContact O-N 3.29Å; Q1-H5 VanDerWaalsContact O-N 3.09Å; V2-H5 PolarHBondContact O-N 3.04Å; V2-H5 VanDerWaalsContact O-N 3.12Å; H5-E7 VanDerWaalsContact C-N 3.32Å; H5-E7 PolarHBondContact O-N 3.08Å; H5-Q8 PolarHBondContact O-N 3.31Å; H5-L9 WeakPolarHBondContact O-CB 3.4Å; H5-L9 VanDerWaalsContact O-CG 3.3Å; H5-L9 WeakPolarHBondContact O-CG 3.32Å; H5-L9 PolarHBondContact O-N 3.43Å; H5-E205 HydrophobicContact CB-CG 4.26Å; H5-E205 IonicContact ND1-OE2 3.74Å
6V93.3Very high93.3Very high6 Ų670.2 Ų70.24%0.03634%0.337CS..Hα-helixtrans-59.3-44.3174.8168.80000110.8V2 K10 L202 E205 K206V2-V6 HydrophobicContact CG1-CG2 4.37Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 3.46Å; V6-K10 HydrophobicContact CG1-CD 4.47Å; V6-K10 VanDerWaalsContact O-CG 3.32Å; V6-K10 WeakPolarHBondContact O-CG 3.43Å; V6-K10 PolarHBondContact O-N 3.17Å; V6-L202 HydrophobicContact CB-CD1 4.42Å; V6-L202 HydrophobicContact CG1-CD1 3.96Å; V6-L202 WeakPolarHBondContact O-CD1 3.47Å; V6-E205 HydrophobicContact CG2-CB 3.73Å; V6-K206 HydrophobicContact CG1-CG 4.45Å; V6-K206 HydrophobicContact CG2-CG 4.5Å
7E92.9Very high93.5Very high102 Ų10270.8 Ų70.848%0.47734%0.339SS..Hα-helixtrans-68.1-43.9179.4-161.659.2-157.200112L3 G4 H5 L9 K10 V11L3-E7 PolarHBondContact O-N 3.46Å; L3-E7 VanDerWaalsContact O-N 3.12Å; G4-E7 PolarHBondContact O-N 3.02Å; H5-E7 VanDerWaalsContact C-N 3.32Å; H5-E7 PolarHBondContact O-N 3.08Å; E7-L9 PolarHBondContact O-N 2.92Å; E7-K10 PolarHBondContact O-N 3.07Å; E7-K10 IonicContact OE2-NZ 3.42Å; E7-K10 PolarHBondContact OE2-NZ 3.39Å; E7-V11 WeakPolarHBondContact O-CG2 3.49Å; E7-V11 PolarHBondContact O-N 3.23Å
8Q94.4Very high93.7Very high131 Ų13172.7 Ų72.761%0.61235%0.348SS*.Hα-helixtrans-59.3-44.1174.5-75.9173-16.200112.4G4 H5 V11 R12G4-Q8 WeakPolarHBondContact O-CB 3.38Å; G4-Q8 VanDerWaalsContact O-CG 3.32Å; G4-Q8 WeakPolarHBondContact O-CG 3.39Å; G4-Q8 PolarHBondContact O-N 3.45Å; H5-Q8 PolarHBondContact O-N 3.31Å; Q8-V11 PolarHBondContact O-N 2.96Å; Q8-R12 WeakPolarHBondContact O-CB 3.3Å; Q8-R12 PolarHBondContact O-N 3.48Å
9L96.3Very high93.8Very high31 Ų3173.1 Ų73.116%0.16235%0.349CS..Hα-helixtrans-68.7-34.3179.4-74167.1000112.4H5 E7 R12 V13 L201 L202 E205H5-L9 WeakPolarHBondContact O-CB 3.4Å; H5-L9 VanDerWaalsContact O-CG 3.3Å; H5-L9 WeakPolarHBondContact O-CG 3.32Å; H5-L9 PolarHBondContact O-N 3.43Å; E7-L9 PolarHBondContact O-N 2.92Å; L9-R12 PolarHBondContact O-N 2.7Å; L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 2.97Å; L9-L201 HydrophobicContact CD1-CB 4.04Å; L9-L201 HydrophobicContact CD2-CB 4.13Å; L9-L202 HydrophobicContact CB-CB 4.04Å; L9-L202 HydrophobicContact CB-CD1 3.89Å; L9-L202 HydrophobicContact CB-CG 4.48Å; L9-L202 HydrophobicContact CD1-CB 4.44Å; L9-E205 HydrophobicContact CD1-CG 4.05Å
10K95.4Very high93.9Very high84 Ų8471.7 Ų71.737%0.36534%0.343SS..Hα-helixtrans-63.2-44.7171.9-75.4173.4-172.3168.30111.9V6 E7 R12 V13 K14 L202V6-K10 HydrophobicContact CG1-CD 4.47Å; V6-K10 VanDerWaalsContact O-CG 3.32Å; V6-K10 WeakPolarHBondContact O-CG 3.43Å; V6-K10 PolarHBondContact O-N 3.17Å; E7-K10 PolarHBondContact O-N 3.07Å; E7-K10 IonicContact OE2-NZ 3.42Å; E7-K10 PolarHBondContact OE2-NZ 3.39Å; K10-R12 VanDerWaalsContact C-N 3.33Å; K10-V13 PolarHBondContact O-N 3.24Å; K10-K14 WeakPolarHBondContact O-CG 3.45Å; K10-K14 PolarHBondContact O-N 3.31Å; K10-K14 VanDerWaalsContact O-N 3.09Å; K10-L202 HydrophobicContact CG-CD1 3.96Å; K10-L202 HydrophobicContact CG-CD2 4.01Å
11V96.8Very high94Very high67 Ų6774.3 Ų74.341%0.40636%0.355SS..Hα-helixtrans-60.8-47.1175.5173.70000109.5E7 Q8 V13 K14 E15E7-V11 WeakPolarHBondContact O-CG2 3.49Å; E7-V11 PolarHBondContact O-N 3.23Å; Q8-V11 PolarHBondContact O-N 2.96Å; V11-V13 PolarHBondContact O-N 3Å; V11-K14 WeakPolarHBondContact O-CB 3.44Å; V11-K14 PolarHBondContact O-N 3.45Å; V11-K14 VanDerWaalsContact O-N 3.12Å; V11-E15 HydrophobicContact CG1-CG 4.34Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.47Å; V11-E15 WeakPolarHBondContact O-CG 3.43Å; V11-E15 PolarHBondContact O-N 3.13Å
12R96.6Very high94.5Very high95 Ų9569.7 Ų69.736%0.35833%0.333SS..Hα-helixtrans-59.9-40.8178.7-175.558.3-178.6156.45113.7Q8 L9 K10 E15 L16Q8-R12 WeakPolarHBondContact O-CB 3.3Å; Q8-R12 PolarHBondContact O-N 3.48Å; L9-R12 PolarHBondContact O-N 2.7Å; K10-R12 VanDerWaalsContact C-N 3.33Å; R12-E15 IonicContact NH1-OE2 3.9Å; R12-E15 PolarHBondContact NH1-OE2 3.03Å; R12-E15 PolarHBondContact O-N 3.43Å; R12-L16 HydrophobicContact CG-CD1 4.17Å; R12-L16 WeakPolarHBondContact O-CG 3.49Å; R12-L16 PolarHBondContact O-N 2.91Å
13V97.5Very high94.8Very high14 Ų1468.9 Ų68.99%0.08533%0.329CS..Hα-helixtrans-64.4-42.2175.6167.10000111.2L9 K10 V11 L16 E17 L199L9-V13 VanDerWaalsContact O-CG2 3.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 2.97Å; K10-V13 PolarHBondContact O-N 3.24Å; V11-V13 PolarHBondContact O-N 3Å; V13-L16 PolarHBondContact O-N 3.44Å; V13-E17 WeakPolarHBondContact O-CB 3.45Å; V13-E17 PolarHBondContact O-N 2.81Å; V13-L199 HydrophobicContact CG1-CD2 3.8Å; V13-L199 HydrophobicContact CG1-CG 4.12Å; V13-L199 HydrophobicContact CG2-CD2 3.96Å; V13-L199 HydrophobicContact CG2-CG 3.96Å
14K96.9Very high95.1Very high152 Ų15270.7 Ų70.766%0.66135%0.347SS*.Hα-helixtrans-63.7-43175.8-74.8-177.7174.5-174.40112K10 V11 E17 Q18K10-K14 WeakPolarHBondContact O-CG 3.45Å; K10-K14 PolarHBondContact O-N 3.31Å; K10-K14 VanDerWaalsContact O-N 3.09Å; V11-K14 WeakPolarHBondContact O-CB 3.44Å; V11-K14 PolarHBondContact O-N 3.45Å; V11-K14 VanDerWaalsContact O-N 3.12Å; K14-E17 PolarHBondContact O-N 3.09Å; K14-Q18 WeakPolarHBondContact O-CB 3.38Å; K14-Q18 PolarHBondContact O-N 3.35Å
15E97.4Very high95.4Very high84 Ų8478.5 Ų78.539%0.39337%0.37SS..Hα-helixtrans-59.3-46.4174.9-71.9171-179.200111.7V11 R12 E17 Q18 Q19V11-E15 HydrophobicContact CG1-CG 4.34Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.47Å; V11-E15 WeakPolarHBondContact O-CG 3.43Å; V11-E15 PolarHBondContact O-N 3.13Å; R12-E15 IonicContact NH1-OE2 3.9Å; R12-E15 PolarHBondContact NH1-OE2 3.03Å; R12-E15 PolarHBondContact O-N 3.43Å; E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 2.86Å; E15-Q18 PolarHBondContact O-N 3.06Å; E15-Q19 WeakPolarHBondContact O-CB 3.38Å; E15-Q19 VanDerWaalsContact O-CG 3.3Å; E15-Q19 WeakPolarHBondContact O-CG 3.38Å; E15-Q19 PolarHBondContact O-N 2.69Å
16L96.8Very high95.5Very high1 Ų180 Ų801%0.00538%0.377CS..Hα-helixtrans-66.4-34.7178.8-74.8167.4000112.4R12 V13 L20 L191 D194 K195R12-L16 HydrophobicContact CG-CD1 4.17Å; R12-L16 WeakPolarHBondContact O-CG 3.49Å; R12-L16 PolarHBondContact O-N 2.91Å; V13-L16 PolarHBondContact O-N 3.44Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.13Å; L16-L191 HydrophobicContact CD2-CD2 4.17Å; L16-D194 HydrophobicContact CD1-CB 4.2Å; L16-D194 HydrophobicContact CD2-CB 4.08Å; L16-K195 HydrophobicContact CB-CB 4.18Å; L16-K195 HydrophobicContact CD1-CB 4.47Å
17E95.9Very high95.4Very high80 Ų8080.7 Ų80.737%0.37438%0.384SS..Hα-helixtrans-68-41.1173.9-178158.5-122.600112.1V13 K14 E15 L20 Q21 K195V13-E17 WeakPolarHBondContact O-CB 3.45Å; V13-E17 PolarHBondContact O-N 2.81Å; K14-E17 PolarHBondContact O-N 3.09Å; E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 2.86Å; E17-L20 PolarHBondContact O-N 2.94Å; E17-Q21 WeakPolarHBondContact O-CG 3.37Å; E17-Q21 PolarHBondContact O-N 3.33Å; E17-Q21 VanDerWaalsContact O-N 3.11Å; E17-K195 VanDerWaalsContact CD-NZ 3.31Å; E17-K195 IonicContact OE1-NZ 2.7Å; E17-K195 PolarHBondContact OE1-NZ 2.89Å
18Q97.1Very high95.5Very high106 Ų10682.1 Ų82.150%0.49539%0.391SS..Hα-helixtrans-62.6-47172.5179.9176.51.200111.2K14 E15 L20 Q21 E22K14-Q18 WeakPolarHBondContact O-CB 3.38Å; K14-Q18 PolarHBondContact O-N 3.35Å; E15-Q18 PolarHBondContact O-N 3.06Å; Q18-L20 VanDerWaalsContact C-N 3.28Å; Q18-L20 PolarHBondContact O-N 3.21Å; Q18-Q21 PolarHBondContact O-N 2.91Å; Q18-Q21 VanDerWaalsContact O-N 3.1Å; Q18-E22 HydrophobicContact CG-CG 4.32Å; Q18-E22 VanDerWaalsContact CG-OE1 3.28Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.45Å; Q18-E22 PolarHBondContact NE2-OE1 3.49Å; Q18-E22 WeakPolarHBondContact O-CG 3.48Å; Q18-E22 PolarHBondContact O-N 3.35Å
19Q96.1Very high95.5Very high80 Ų8081.9 Ų81.937%0.37439%0.391SS..Hα-helixtrans-58.5-39.3176.7-75.5177.9-900112.3E15 E22 S23 L191E15-Q19 WeakPolarHBondContact O-CB 3.38Å; E15-Q19 VanDerWaalsContact O-CG 3.3Å; E15-Q19 WeakPolarHBondContact O-CG 3.38Å; E15-Q19 PolarHBondContact O-N 2.69Å; Q19-E22 PolarHBondContact O-N 3.02Å; Q19-S23 VanDerWaalsContact O-CB 3.29Å; Q19-S23 WeakPolarHBondContact O-CB 3.43Å; Q19-S23 PolarHBondContact O-N 3.27Å; Q19-L191 HydrophobicContact CB-CD1 4.3Å; Q19-L191 HydrophobicContact CB-CD2 4.29Å
20L95.6Very high95.3Very high44 Ų4484.2 Ų84.223%0.2340%0.401CS..Hα-helixtrans-64.5-41.2176.1-172.671.1000111.8L16 E17 Q18 A24 L191L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 PolarHBondContact O-N 3.13Å; E17-L20 PolarHBondContact O-N 2.94Å; Q18-L20 VanDerWaalsContact C-N 3.28Å; Q18-L20 PolarHBondContact O-N 3.21Å; L20-A24 VanDerWaalsContact O-CB 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.33Å; L20-A24 PolarHBondContact O-N 3.44Å; L20-A24 VanDerWaalsContact O-N 3.09Å; L20-L191 HydrophobicContact CD1-CB 3.94Å; L20-L191 HydrophobicContact CD1-CD1 4.44Å
21Q96Very high95.1Very high128 Ų12887.7 Ų87.760%0.59841%0.412SS*.Hα-helixtrans-68.5-41.5176.7-72.4-178.6-15.500112.3E17 Q18 A24 R25E17-Q21 WeakPolarHBondContact O-CG 3.37Å; E17-Q21 PolarHBondContact O-N 3.33Å; E17-Q21 VanDerWaalsContact O-N 3.11Å; Q18-Q21 PolarHBondContact O-N 2.91Å; Q18-Q21 VanDerWaalsContact O-N 3.1Å; Q21-A24 PolarHBondContact O-N 2.94Å; Q21-R25 PolarHBondContact O-N 2.97Å
22E94.7Very high94.9Very high102 Ų10287.6 Ų87.648%0.47742%0.418SS..Hα-helixtrans-64.5-50178.1-73.4172.9-17900111.1Q18 Q19 A24 R25 E26Q18-E22 HydrophobicContact CG-CG 4.32Å; Q18-E22 VanDerWaalsContact CG-OE1 3.28Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.45Å; Q18-E22 PolarHBondContact NE2-OE1 3.49Å; Q18-E22 WeakPolarHBondContact O-CG 3.48Å; Q18-E22 PolarHBondContact O-N 3.35Å; Q19-E22 PolarHBondContact O-N 3.02Å; E22-A24 VanDerWaalsContact C-N 3.29Å; E22-A24 PolarHBondContact O-N 3.42Å; E22-R25 PolarHBondContact O-N 3.14Å; E22-R25 VanDerWaalsContact O-N 3.13Å; E22-E26 PolarHBondContact O-N 3.29Å
23S93.4Very high94.9Very high10 Ų1088.5 Ų88.57%0.0743%0.429CS..Hα-helixtrans-58.7-39.4175.6171.60000111.8Q19 E26 A27 E187Q19-S23 VanDerWaalsContact O-CB 3.29Å; Q19-S23 WeakPolarHBondContact O-CB 3.43Å; Q19-S23 PolarHBondContact O-N 3.27Å; S23-E26 PolarHBondContact O-N 2.99Å; S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 3.11Å; S23-E187 PolarHBondContact OG-OE2 2.95Å
24A93.2Very high94.8Very high60 Ų6088.8 Ų88.850%0.49643%0.43SS..Hα-helixtrans-63.8-42.3175.300000112.9L20 Q21 E22 E28L20-A24 VanDerWaalsContact O-CB 3.31Å; L20-A24 WeakPolarHBondContact O-CB 3.33Å; L20-A24 PolarHBondContact O-N 3.44Å; L20-A24 VanDerWaalsContact O-N 3.09Å; Q21-A24 PolarHBondContact O-N 2.94Å; E22-A24 VanDerWaalsContact C-N 3.29Å; E22-A24 PolarHBondContact O-N 3.42Å; A24-E28 WeakPolarHBondContact O-CB 3.46Å; A24-E28 PolarHBondContact O-N 3.42Å; A24-E28 VanDerWaalsContact O-N 3.08Å
25R95Very high94.6Very high185 Ų18584.5 Ų84.570%0.69841%0.412SS*.Hα-helixtrans-67.3-39.1176-76.1-171.37788.50.5112.2Q21 E22 E28 M29Q21-R25 PolarHBondContact O-N 2.97Å; E22-R25 PolarHBondContact O-N 3.14Å; E22-R25 VanDerWaalsContact O-N 3.13Å; R25-E28 PolarHBondContact O-N 3.47Å; R25-M29 WeakPolarHBondContact O-CB 3.32Å; R25-M29 PolarHBondContact O-N 3.31Å
26E94.3Very high94.6Very high117 Ų11782.2 Ų82.255%0.54741%0.411SS..Hα-helixtrans-61.9-49.1176.9-174170.7-168.100110.7E22 S23 E28 M29 E30E22-E26 PolarHBondContact O-N 3.29Å; S23-E26 PolarHBondContact O-N 2.99Å; E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.19Å; E26-M29 WeakPolarHBondContact O-CB 3.38Å; E26-M29 PolarHBondContact O-N 3.19Å; E26-M29 VanDerWaalsContact O-N 3.14Å; E26-E30 PolarHBondContact O-N 3.44Å
27A92.1Very high94.5Very high22 Ų2286.5 Ų86.518%0.18243%0.432CS..Hα-helixtrans-60.9-36.5176.400000113.2S23 R31 A184S23-A27 WeakPolarHBondContact O-CB 3.47Å; S23-A27 PolarHBondContact O-N 3.11Å; A27-R31 VanDerWaalsContact O-CB 3.26Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.27Å; A27-R31 VanDerWaalsContact O-N 3.08Å; A27-A184 HydrophobicContact CB-CB 3.54Å
28E93Very high94.5Very high132 Ų13284.8 Ų84.862%0.61742%0.422SS*.Hα-helixtrans-66.5-42.8174.8-174.5174.9-15800111.8A24 R25 E26 R31 A32A24-E28 WeakPolarHBondContact O-CB 3.46Å; A24-E28 PolarHBondContact O-N 3.42Å; A24-E28 VanDerWaalsContact O-N 3.08Å; R25-E28 PolarHBondContact O-N 3.47Å; E26-E28 VanDerWaalsContact C-N 3.3Å; E26-E28 PolarHBondContact O-N 3.19Å; E28-R31 PolarHBondContact O-N 3.33Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 2.9Å
29M95.6Very high94.5Very high126 Ų12685 Ų8562%0.62142%0.423SS*.Hα-helixtrans-62.8-49.2177.4-174.2-176.9-59.300111.6R25 E26 R31 A32 L33R25-M29 WeakPolarHBondContact O-CB 3.32Å; R25-M29 PolarHBondContact O-N 3.31Å; E26-M29 WeakPolarHBondContact O-CB 3.38Å; E26-M29 PolarHBondContact O-N 3.19Å; E26-M29 VanDerWaalsContact O-N 3.14Å; M29-R31 VanDerWaalsContact C-N 3.28Å; M29-R31 PolarHBondContact O-N 2.88Å; M29-A32 PolarHBondContact O-N 3.47Å; M29-A32 VanDerWaalsContact O-N 3.14Å; M29-L33 HydrophobicContact CG-CD1 4.36Å; M29-L33 WeakPolarHBondContact O-CG 3.47Å; M29-L33 PolarHBondContact O-N 3.06Å
30E92.9Very high94.5Very high79 Ų7983.9 Ų83.937%0.36943%0.427SS..Hα-helixtrans-60.1-40.8177.6-70.3-171.6165.400111.7E26 A32 L33 L34 I180E26-E30 PolarHBondContact O-N 3.44Å; E30-A32 VanDerWaalsContact C-N 3.34Å; E30-A32 PolarHBondContact O-N 2.98Å; E30-L33 PolarHBondContact O-N 2.92Å; E30-L34 PolarHBondContact O-N 3.29Å; E30-I180 HydrophobicContact CB-CD1 4.35Å; E30-I180 HydrophobicContact CB-CG2 4.22Å; E30-I180 VanDerWaalsContact OE2-CG2 3.23Å; E30-I180 WeakPolarHBondContact OE2-CG2 3.23Å
31R90.3Very high94.5Very high158 Ų15882.7 Ų82.760%0.59642%0.42SS*.Hα-helixtrans-61.6-42.4175.1-179.3179.2177.4166.4-1.9111.8A27 E28 M29 Q35A27-R31 VanDerWaalsContact O-CB 3.26Å; A27-R31 WeakPolarHBondContact O-CB 3.47Å; A27-R31 PolarHBondContact O-N 3.27Å; A27-R31 VanDerWaalsContact O-N 3.08Å; E28-R31 PolarHBondContact O-N 3.33Å; M29-R31 VanDerWaalsContact C-N 3.28Å; M29-R31 PolarHBondContact O-N 2.88Å; R31-Q35 VanDerWaalsContact O-CB 3.24Å; R31-Q35 WeakPolarHBondContact O-CB 3.35Å; R31-Q35 PolarHBondContact O-N 3.44Å
32A93.4Very high94.5Very high64 Ų6480.6 Ų80.653%0.52941%0.407SS..Hα-helixtrans-65.7-42.6178.900000111.8E28 M29 E30 Q35 G36E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 2.9Å; M29-A32 PolarHBondContact O-N 3.47Å; M29-A32 VanDerWaalsContact O-N 3.14Å; E30-A32 VanDerWaalsContact C-N 3.34Å; E30-A32 PolarHBondContact O-N 2.98Å; A32-Q35 PolarHBondContact O-N 3.23Å; A32-G36 PolarHBondContact O-N 3.12Å
33L95.4Very high94.7Very high115 Ų11578.4 Ų78.460%0.60241%0.407SS*.Hα-helixtrans-60.7-51.6176.4-70.3172.1000111.5M29 E30 Q35 G36 E37M29-L33 HydrophobicContact CG-CD1 4.36Å; M29-L33 WeakPolarHBondContact O-CG 3.47Å; M29-L33 PolarHBondContact O-N 3.06Å; E30-L33 PolarHBondContact O-N 2.92Å; L33-Q35 VanDerWaalsContact C-N 3.27Å; L33-Q35 PolarHBondContact O-N 2.88Å; L33-G36 PolarHBondContact O-N 2.9Å; L33-G36 VanDerWaalsContact O-N 3.16Å; L33-E37 PolarHBondContact O-N 3.09Å
34L94.7Very high94.9Very high20 Ų2081.4 Ų81.411%0.10542%0.421CS..Hα-helixtrans-62.8-34.4177.2-75.1-176.9000112.5E30 E37 R38 L173 Q176 A177 I180E30-L34 PolarHBondContact O-N 3.29Å; L34-E37 PolarHBondContact O-N 3.12Å; L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 WeakPolarHBondContact O-CG 3.35Å; L34-R38 PolarHBondContact O-N 3.35Å; L34-L173 HydrophobicContact CD2-CD2 4Å; L34-Q176 HydrophobicContact CD1-CB 4.32Å; L34-A177 HydrophobicContact CD1-CB 4.06Å; L34-I180 HydrophobicContact CD1-CD1 3.54Å
35Q94Very high95.1Very high61 Ų6179.9 Ų79.929%0.28541%0.405SS..Hα-helixtrans-63.9-43.9175.6-177.363.317.500111.2R31 A32 L33 E37 R38 E39R31-Q35 VanDerWaalsContact O-CB 3.24Å; R31-Q35 WeakPolarHBondContact O-CB 3.35Å; R31-Q35 PolarHBondContact O-N 3.44Å; A32-Q35 PolarHBondContact O-N 3.23Å; L33-Q35 VanDerWaalsContact C-N 3.27Å; L33-Q35 PolarHBondContact O-N 2.88Å; Q35-E37 PolarHBondContact O-N 3.08Å; Q35-R38 PolarHBondContact O-N 3.18Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.5Å; Q35-E39 PolarHBondContact NE2-OE1 3.3Å; Q35-E39 WeakPolarHBondContact O-CB 3.39Å; Q35-E39 WeakPolarHBondContact O-CG 3.46Å; Q35-E39 PolarHBondContact O-N 3.29Å
36G96.4Very high95.2Very high36 Ų3677 Ų7737%0.37140%0.399SS..Hα-helixtrans-60.2-43.8174.700000112.5A32 L33 R38 E39 A40A32-G36 PolarHBondContact O-N 3.12Å; L33-G36 PolarHBondContact O-N 2.9Å; L33-G36 VanDerWaalsContact O-N 3.16Å; G36-R38 PolarHBondContact O-N 3.19Å; G36-E39 PolarHBondContact O-N 3.38Å; G36-A40 WeakPolarHBondContact O-CB 3.5Å; G36-A40 PolarHBondContact O-N 2.87Å
37E95.6Very high95.4Very high92 Ų9278.7 Ų78.743%0.4341%0.405SS..Hα-helixtrans-61.8-43.8175.2-70-171.6-164.400112.4L33 L34 Q35 E39 A40 E41 L173L33-E37 PolarHBondContact O-N 3.09Å; L34-E37 PolarHBondContact O-N 3.12Å; Q35-E37 PolarHBondContact O-N 3.08Å; E37-E39 PolarHBondContact O-N 3.01Å; E37-A40 PolarHBondContact O-N 3.4Å; E37-E41 WeakPolarHBondContact O-CB 3.43Å; E37-E41 WeakPolarHBondContact O-CG 3.4Å; E37-E41 PolarHBondContact O-N 3.07Å; E37-L173 HydrophobicContact CB-CD1 4.31Å; E37-L173 HydrophobicContact CB-CD2 4.39Å; E37-L173 WeakPolarHBondContact OE2-CD2 3.32Å
38R95.4Very high95.6Very high44 Ų4478.7 Ų78.717%0.16640%0.401CS..Hα-helixtrans-63.1-41.5176.8-71.3167.673.4-152.911.5111.9L34 Q35 G36 E41 R42 L170 L173 D174L34-R38 WeakPolarHBondContact O-CB 3.29Å; L34-R38 WeakPolarHBondContact O-CG 3.35Å; L34-R38 PolarHBondContact O-N 3.35Å; Q35-R38 PolarHBondContact O-N 3.18Å; G36-R38 PolarHBondContact O-N 3.19Å; R38-E41 PolarHBondContact O-N 3.09Å; R38-R42 WeakPolarHBondContact O-CB 3.29Å; R38-R42 VanDerWaalsContact O-CG 3.3Å; R38-R42 WeakPolarHBondContact O-CG 3.3Å; R38-R42 PolarHBondContact O-N 3.05Å; R38-L170 HydrophobicContact CB-CD2 4.43Å; R38-L173 HydrophobicContact CG-CB 3.68Å; R38-L173 HydrophobicContact CG-CD1 4.05Å; R38-L173 HydrophobicContact CG-CG 4.45Å; R38-D174 IonicContact CZ-OD1 2.7Å; R38-D174 IonicContact NE-OD1 2.68Å; R38-D174 PolarHBondContact NE-OD1 3.4Å; R38-D174 IonicContact NH2-OD1 3Å; R38-D174 PolarHBondContact NH2-OD1 2.87Å
39E96.6Very high95.8Very high110 Ų11075.5 Ų75.551%0.51439%0.386SS..Hα-helixtrans-65.9-43.2177.9-75.5174-171.200111.7Q35 G36 E37 E41 R42 A43Q35-E39 WeakPolarHBondContact CG-OE1 3.5Å; Q35-E39 PolarHBondContact NE2-OE1 3.3Å; Q35-E39 WeakPolarHBondContact O-CB 3.39Å; Q35-E39 WeakPolarHBondContact O-CG 3.46Å; Q35-E39 PolarHBondContact O-N 3.29Å; G36-E39 PolarHBondContact O-N 3.38Å; E37-E39 PolarHBondContact O-N 3.01Å; E39-E41 PolarHBondContact O-N 3.38Å; E39-R42 PolarHBondContact O-N 3.01Å; E39-A43 WeakPolarHBondContact O-CB 3.33Å; E39-A43 PolarHBondContact O-N 3.47Å
40A96.1Very high95.9Very high56 Ų5675.9 Ų75.946%0.46338%0.384SS..Hα-helixtrans-60-46.4174.300000111.7G36 E37 R42 A43 L44G36-A40 WeakPolarHBondContact O-CB 3.5Å; G36-A40 PolarHBondContact O-N 2.87Å; E37-A40 PolarHBondContact O-N 3.4Å; A40-R42 PolarHBondContact O-N 3.31Å; A40-A43 PolarHBondContact O-N 3.44Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.36Å
41E96.3Very high96.2Very high19 Ų1973.4 Ų73.49%0.08938%0.377CS..Hα-helixtrans-65.3-38.1177.3-76.2-62.416400112.6E37 R38 E39 L44 L45 R169 L170 L173E37-E41 WeakPolarHBondContact O-CB 3.43Å; E37-E41 WeakPolarHBondContact O-CG 3.4Å; E37-E41 PolarHBondContact O-N 3.07Å; R38-E41 PolarHBondContact O-N 3.09Å; E39-E41 PolarHBondContact O-N 3.38Å; E41-L44 PolarHBondContact O-N 3.01Å; E41-L45 WeakPolarHBondContact O-CB 3.34Å; E41-L45 PolarHBondContact O-N 3.31Å; E41-R169 HydrophobicContact CG-CG 4.42Å; E41-R169 VanDerWaalsContact OE1-CD 3.3Å; E41-R169 WeakPolarHBondContact OE1-CD 3.37Å; E41-R169 IonicContact OE1-CZ 3.74Å; E41-R169 IonicContact OE1-NE 3.26Å; E41-R169 PolarHBondContact OE1-NE 2.86Å; E41-R169 IonicContact OE1-NH1 3.13Å; E41-R169 PolarHBondContact OE1-NH1 2.79Å; E41-L170 HydrophobicContact CB-CD2 3.69Å; E41-L170 HydrophobicContact CB-CG 4.09Å; E41-L173 HydrophobicContact CG-CD1 4.19Å
42R97.1Very high96.5Very high84 Ų8466.2 Ų66.232%0.31735%0.351SS..Hα-helixtrans-64.2-41.4173.2-77.5-175.5-164.8106.16.1112.6R38 E39 A40 L44 L45 Q46 L170 D174R38-R42 WeakPolarHBondContact O-CB 3.29Å; R38-R42 VanDerWaalsContact O-CG 3.3Å; R38-R42 WeakPolarHBondContact O-CG 3.3Å; R38-R42 PolarHBondContact O-N 3.05Å; E39-R42 PolarHBondContact O-N 3.01Å; A40-R42 PolarHBondContact O-N 3.31Å; R42-L44 VanDerWaalsContact C-N 3.33Å; R42-L45 PolarHBondContact O-N 2.94Å; R42-Q46 WeakPolarHBondContact O-CG 3.46Å; R42-Q46 PolarHBondContact O-N 2.94Å; R42-L170 HydrophobicContact CG-CD1 3.99Å; R42-L170 HydrophobicContact CG-CD2 3.89Å; R42-D174 IonicContact NH2-OD1 3.74Å
43A97.8Very high96.7Very high57 Ų5766.8 Ų66.847%0.47135%0.345SS..Hα-helixtrans-62.8-42.6178.200000111E39 A40 Q46 K47E39-A43 WeakPolarHBondContact O-CB 3.33Å; E39-A43 PolarHBondContact O-N 3.47Å; A40-A43 PolarHBondContact O-N 3.44Å; A43-Q46 PolarHBondContact O-N 2.88Å; A43-K47 PolarHBondContact O-N 2.88Å
44L97.3Very high96.8Very high73 Ų7366.5 Ų66.538%0.38234%0.341SS..Hα-helixtrans-64.7-43.4174.2-67.7175.2000112.1A40 E41 R42 Q46 K47 E48A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.36Å; E41-L44 PolarHBondContact O-N 3.01Å; R42-L44 VanDerWaalsContact C-N 3.33Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 2.99Å; L44-K47 WeakPolarHBondContact O-CB 3.32Å; L44-K47 PolarHBondContact O-N 3.49Å; L44-E48 PolarHBondContact O-N 2.92Å
45L97.7Very high96.9Very high28 Ų2866.6 Ų66.615%0.14734%0.341CS..Hα-helixtrans-58-45.5175.7175.764.1000111.7E41 R42 K47 E48 Q49 I163 R166 K167 L170E41-L45 WeakPolarHBondContact O-CB 3.34Å; E41-L45 PolarHBondContact O-N 3.31Å; R42-L45 PolarHBondContact O-N 2.94Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 3.24Å; L45-E48 PolarHBondContact O-N 2.97Å; L45-Q49 WeakPolarHBondContact O-CB 3.33Å; L45-Q49 PolarHBondContact O-N 3.28Å; L45-I163 HydrophobicContact CD1-CB 4.19Å; L45-I163 HydrophobicContact CD1-CG1 4.16Å; L45-I163 HydrophobicContact CD1-CG2 3.75Å; L45-R166 HydrophobicContact CD1-CB 4.3Å; L45-K167 HydrophobicContact CD1-CG 4.09Å; L45-K167 HydrophobicContact CD2-CG 4.08Å; L45-L170 HydrophobicContact CD2-CD1 3.67Å
46Q97.9Very high97Very high123 Ų12367.3 Ų67.358%0.57535%0.345SS*.Hα-helixtrans-63-40176.3-75.9-177.9-5.100112.1R42 A43 L44 Q49 K50R42-Q46 WeakPolarHBondContact O-CG 3.46Å; R42-Q46 PolarHBondContact O-N 2.94Å; A43-Q46 PolarHBondContact O-N 2.88Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 2.99Å; Q46-Q49 PolarHBondContact O-N 3.26Å; Q46-K50 WeakPolarHBondContact O-CG 3.32Å; Q46-K50 PolarHBondContact O-N 3.5Å
47K97.7Very high97.1Very high153 Ų15372 Ų7267%0.66536%0.357SS*.Hα-helixtrans-61.5-45.3176.5-177.1-179.1177.9-179.60111.5A43 L44 L45 K50 A51A43-K47 PolarHBondContact O-N 2.88Å; L44-K47 WeakPolarHBondContact O-CB 3.32Å; L44-K47 PolarHBondContact O-N 3.49Å; L45-K47 VanDerWaalsContact C-N 3.34Å; L45-K47 PolarHBondContact O-N 3.24Å; K47-K50 PolarHBondContact O-N 2.96Å; K47-A51 PolarHBondContact O-N 3.39Å
48E96.6Very high97.1Very high22 Ų2273.1 Ų73.110%0.10336%0.36CS..Hα-helixtrans-68.5-37.6178.1-69.5-170.8149.300112.6L44 L45 K50 A51 V52 L159 S162 I163 R166L44-E48 PolarHBondContact O-N 2.92Å; L45-E48 PolarHBondContact O-N 2.97Å; E48-K50 PolarHBondContact O-N 3.45Å; E48-A51 WeakPolarHBondContact O-CB 3.43Å; E48-A51 PolarHBondContact O-N 2.7Å; E48-A51 VanDerWaalsContact O-N 3.16Å; E48-V52 PolarHBondContact O-N 3.3Å; E48-L159 HydrophobicContact CG-CD2 4.36Å; E48-S162 VanDerWaalsContact CD-OG 3.31Å; E48-S162 WeakPolarHBondContact OE1-CB 3.35Å; E48-S162 PolarHBondContact OE1-OG 3.4Å; E48-S162 PolarHBondContact OE2-OG 3.44Å; E48-I163 HydrophobicContact CB-CD1 4.09Å; E48-I163 HydrophobicContact CB-CG1 3.7Å; E48-I163 PolarHBondContact OE2-N 2.98Å; E48-R166 IonicContact OE1-CZ 2.97Å; E48-R166 IonicContact OE1-NH1 2.65Å; E48-R166 PolarHBondContact OE1-NH1 3.34Å; E48-R166 IonicContact OE1-NH2 3.08Å; E48-R166 PolarHBondContact OE1-NH2 2.89Å; E48-R166 IonicContact OE2-CZ 3.94Å; E48-R166 IonicContact OE2-NE 3.04Å; E48-R166 IonicContact OE2-NH1 2.64Å; E48-R166 PolarHBondContact OE2-NH1 2.78Å; E48-R166 IonicContact OE2-NH2 3.59Å
49Q97.8Very high97.1Very high66 Ų6671.6 Ų71.631%0.30836%0.355SS..Hα-helixtrans-60.3-46.8175.5-17061.861.500111L45 Q46 A51 V52 D53L45-Q49 WeakPolarHBondContact O-CB 3.33Å; L45-Q49 PolarHBondContact O-N 3.28Å; Q46-Q49 PolarHBondContact O-N 3.26Å; Q49-A51 VanDerWaalsContact C-N 3.28Å; Q49-A51 PolarHBondContact O-N 3.4Å; Q49-V52 WeakPolarHBondContact O-CB 3.45Å; Q49-V52 PolarHBondContact O-N 3.04Å; Q49-V52 VanDerWaalsContact O-N 3.12Å; Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.15Å
50K98.1Very high97.1Very high133 Ų13369.5 Ų69.558%0.57835%0.35SS*.Hα-helixtrans-59.8-38.2173.9-71.2177.1-178.7-177.60112.5Q46 K47 E48 V52 D53 Q54Q46-K50 WeakPolarHBondContact O-CG 3.32Å; Q46-K50 PolarHBondContact O-N 3.5Å; K47-K50 PolarHBondContact O-N 2.96Å; E48-K50 PolarHBondContact O-N 3.45Å; K50-V52 VanDerWaalsContact C-N 3.34Å; K50-D53 PolarHBondContact O-N 3.2Å; K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 3.4Å; K50-Q54 PolarHBondContact O-N 3.42Å
51A97.5Very high97.2Very high27 Ų2769.7 Ų69.722%0.22335%0.351CS..Hα-helixtrans-66.7-35.717700000112.2K47 E48 Q49 Q54 L55 L159K47-A51 PolarHBondContact O-N 3.39Å; E48-A51 WeakPolarHBondContact O-CB 3.43Å; E48-A51 PolarHBondContact O-N 2.7Å; E48-A51 VanDerWaalsContact O-N 3.16Å; Q49-A51 VanDerWaalsContact C-N 3.28Å; Q49-A51 PolarHBondContact O-N 3.4Å; A51-Q54 PolarHBondContact O-N 2.93Å; A51-L55 WeakPolarHBondContact O-CG 3.48Å; A51-L55 PolarHBondContact O-N 3.42Å; A51-L159 HydrophobicContact CB-CD1 3.69Å
52V97.9Very high97.1Very high7 Ų771 Ų714%0.04236%0.358CS..Hα-helixtrans-63.4-44.2171.6168.10000111E48 Q49 K50 Q54 L55 Q56 K156 L159 L160 I163E48-V52 PolarHBondContact O-N 3.3Å; Q49-V52 WeakPolarHBondContact O-CB 3.45Å; Q49-V52 PolarHBondContact O-N 3.04Å; Q49-V52 VanDerWaalsContact O-N 3.12Å; K50-V52 VanDerWaalsContact C-N 3.34Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.39Å; V52-L55 PolarHBondContact O-N 3.07Å; V52-Q56 PolarHBondContact O-N 3.34Å; V52-K156 HydrophobicContact CG1-CG 4.18Å; V52-L159 HydrophobicContact CG2-CB 3.52Å; V52-L159 HydrophobicContact CG2-CD1 4.05Å; V52-L159 HydrophobicContact CG2-CG 4.46Å; V52-L160 HydrophobicContact CG1-CD2 4.23Å; V52-L160 HydrophobicContact CG2-CD2 4.31Å; V52-L160 HydrophobicContact CG2-CG 4.36Å; V52-I163 HydrophobicContact CG2-CD1 3.7Å
53D97.4Very high96.9Very high77 Ų7771.7 Ų71.741%0.41237%0.366SS..Hα-helixtrans-62.5-43.2179-57.5-25.6000110.6Q49 K50 L55 Q56 E57Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.15Å; K50-D53 PolarHBondContact O-N 3.2Å; D53-L55 PolarHBondContact O-N 3.05Å; D53-Q56 WeakPolarHBondContact O-CB 3.23Å; D53-Q56 PolarHBondContact O-N 3.42Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; D53-E57 WeakPolarHBondContact O-CG 3.42Å; D53-E57 PolarHBondContact O-N 3.36Å
54Q98Very high96.8Very high108 Ų10873 Ų7351%0.50537%0.368SS..Hα-helixtrans-61.8-37.9173.9-72.5173.33.900113.3K50 A51 V52 Q56 K58K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 3.4Å; K50-Q54 PolarHBondContact O-N 3.42Å; A51-Q54 PolarHBondContact O-N 2.93Å; V52-Q54 VanDerWaalsContact C-N 3.34Å; V52-Q54 PolarHBondContact O-N 3.39Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q54-K58 VanDerWaalsContact O-CG 3.31Å; Q54-K58 WeakPolarHBondContact O-CG 3.35Å; Q54-K58 PolarHBondContact O-N 3.39Å
55L95.9Very high96.7Very high23 Ų2371.5 Ų71.512%0.1237%0.369CS..Hα-helixtrans-69.2-34.8174.7-72.3178.2000111.6A51 V52 D53 K58 L59 L152 K156 L159A51-L55 WeakPolarHBondContact O-CG 3.48Å; A51-L55 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.07Å; D53-L55 PolarHBondContact O-N 3.05Å; L55-K58 HydrophobicContact CD2-CD 4.47Å; L55-K58 PolarHBondContact O-N 3.12Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.46Å; L55-L152 HydrophobicContact CD2-CD2 3.78Å; L55-K156 HydrophobicContact CB-CB 4.49Å; L55-K156 HydrophobicContact CD1-CB 4.12Å; L55-L159 HydrophobicContact CD1-CD1 3.72Å
56Q96.7Very high96.4Very high76 Ų7671 Ų7136%0.35537%0.367SS..Hα-helixtrans-64.8-44.6174.4-176.46134.400111.2V52 D53 Q54 K58 L59 V60V52-Q56 PolarHBondContact O-N 3.34Å; D53-Q56 WeakPolarHBondContact O-CB 3.23Å; D53-Q56 PolarHBondContact O-N 3.42Å; D53-Q56 VanDerWaalsContact O-N 3.12Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q56-K58 VanDerWaalsContact C-N 3.31Å; Q56-K58 PolarHBondContact O-N 2.85Å; Q56-L59 WeakPolarHBondContact O-CB 3.36Å; Q56-L59 PolarHBondContact O-N 2.86Å; Q56-V60 WeakPolarHBondContact O-CG2 3.47Å; Q56-V60 PolarHBondContact O-N 3.01Å
57E97.4Very high96.2Very high133 Ų13369 Ų6962%0.62136%0.358SS*.Hα-helixtrans-59.3-42.6174.3-72.5173.2179.200111.6D53 L59 V60 A61D53-E57 WeakPolarHBondContact O-CG 3.42Å; D53-E57 PolarHBondContact O-N 3.36Å; E57-L59 VanDerWaalsContact C-N 3.35Å; E57-L59 PolarHBondContact O-N 3.01Å; E57-V60 PolarHBondContact O-N 3.4Å; E57-A61 WeakPolarHBondContact O-CB 3.33Å; E57-A61 PolarHBondContact O-N 3.35Å
58K96.7Very high96.1Very high117 Ų11769.5 Ų69.551%0.50936%0.36SS..Hα-helixtrans-63.2-38176.2-74.3174.1-176.6178.90113.1Q54 L55 Q56 A61 L62 L152Q54-K58 VanDerWaalsContact O-CG 3.31Å; Q54-K58 WeakPolarHBondContact O-CG 3.35Å; Q54-K58 PolarHBondContact O-N 3.39Å; L55-K58 HydrophobicContact CD2-CD 4.47Å; L55-K58 PolarHBondContact O-N 3.12Å; Q56-K58 VanDerWaalsContact C-N 3.31Å; Q56-K58 PolarHBondContact O-N 2.85Å; K58-A61 PolarHBondContact O-N 3.44Å; K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 PolarHBondContact O-N 2.89Å; K58-L152 HydrophobicContact CB-CD1 4.14Å; K58-L152 HydrophobicContact CB-CD2 4.29Å; K58-L152 HydrophobicContact CD-CD2 4.37Å
59L95.4Very high95.9Very high11 Ų1172.8 Ų72.86%0.05838%0.375CS..Hα-helixtrans-63.4-46.9174.9-80.4165.1000111.1L55 Q56 E57 A61 L62 E63 L152 L153 K156L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.46Å; Q56-L59 WeakPolarHBondContact O-CB 3.36Å; Q56-L59 PolarHBondContact O-N 2.86Å; E57-L59 VanDerWaalsContact C-N 3.35Å; E57-L59 PolarHBondContact O-N 3.01Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 3.47Å; L59-L62 WeakPolarHBondContact O-CB 3.44Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 2.96Å; L59-L152 HydrophobicContact CD1-CB 4.45Å; L59-L152 HydrophobicContact CD2-CB 3.69Å; L59-L152 HydrophobicContact CD2-CD1 3.94Å; L59-L152 HydrophobicContact CD2-CG 4.48Å; L59-L152 HydrophobicContact CG-CB 3.88Å; L59-L152 HydrophobicContact CG-CD1 4.1Å; L59-L153 HydrophobicContact CD1-CD2 3.77Å; L59-L153 HydrophobicContact CD1-CG 4.25Å; L59-L153 HydrophobicContact CD2-CD2 4.49Å; L59-L153 HydrophobicContact CD2-CG 4.18Å; L59-K156 HydrophobicContact CD1-CD 4.39Å
60V96.8Very high95.6Very high66 Ų6673.3 Ų73.340%0.437%0.374SS..Hα-helixtrans-63.7-41.6177174.90000111Q56 E57 L62 E63 T64Q56-V60 WeakPolarHBondContact O-CG2 3.47Å; Q56-V60 PolarHBondContact O-N 3.01Å; E57-V60 PolarHBondContact O-N 3.4Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 3.45Å; V60-E63 PolarHBondContact O-N 3.12Å; V60-T64 HydrophobicContact CG1-CG2 4.22Å; V60-T64 WeakPolarHBondContact O-CB 3.46Å; V60-T64 VanDerWaalsContact O-CG2 3.28Å; V60-T64 WeakPolarHBondContact O-CG2 3.33Å; V60-T64 PolarHBondContact O-N 3.33Å; V60-T64 PolarHBondContact O-OG1 3.09Å
61A96.5Very high95.4Very high60 Ų6070.4 Ų70.450%0.49637%0.365SS..Hα-helixtrans-62.4-39.7176.700000112.3E57 K58 L59 T64 G65E57-A61 WeakPolarHBondContact O-CB 3.33Å; E57-A61 PolarHBondContact O-N 3.35Å; K58-A61 PolarHBondContact O-N 3.44Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 3.47Å; A61-T64 WeakPolarHBondContact CA-OG1 3.21Å; A61-T64 PolarHBondContact O-OG1 2.99Å; A61-T64 VanDerWaalsContact O-OG1 3.04Å; A61-G65 PolarHBondContact O-N 3.41Å
62L94.3Very high95.2Very high46 Ų4675.3 Ų75.324%0.24138%0.381CS..Hα-helixtrans-62.7-52.1174.8178.465.9000110.9K58 L59 V60 T64 G65 I66 A148 L152K58-L62 WeakPolarHBondContact O-CB 3.45Å; K58-L62 PolarHBondContact O-N 2.89Å; L59-L62 WeakPolarHBondContact O-CB 3.44Å; L59-L62 PolarHBondContact O-N 3.32Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 3.45Å; L62-T64 PolarHBondContact O-N 2.9Å; L62-G65 PolarHBondContact O-N 2.88Å; L62-I66 HydrophobicContact CD1-CD1 3.88Å; L62-I66 HydrophobicContact CG-CD1 3.84Å; L62-I66 WeakPolarHBondContact O-CD1 3.45Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.09Å; L62-A148 HydrophobicContact CD1-CB 4.38Å; L62-A148 HydrophobicContact CD2-CB 3.81Å; L62-L152 HydrophobicContact CD2-CD1 4.33Å
63E93.7Very high95Very high100 Ų10075.7 Ų75.747%0.46738%0.383SS..Hα-helixtrans-60.9-43-179.5-71.7176.2161.500112.5L59 V60 I66 Q67L59-E63 WeakPolarHBondContact O-CG 3.47Å; L59-E63 PolarHBondContact O-N 2.96Å; V60-E63 PolarHBondContact O-N 3.12Å; E63-I66 PolarHBondContact O-N 3.22Å; E63-Q67 WeakPolarHBondContact O-CB 3.47Å; E63-Q67 PolarHBondContact O-N 2.89Å
64T95.7Very high94.9Very high85 Ų8577 Ų7752%0.52138%0.382SS..Hα-helixtrans-67.6-37.4177.350.90000112.4V60 A61 L62 Q67 K68V60-T64 HydrophobicContact CG1-CG2 4.22Å; V60-T64 WeakPolarHBondContact O-CB 3.46Å; V60-T64 VanDerWaalsContact O-CG2 3.28Å; V60-T64 WeakPolarHBondContact O-CG2 3.33Å; V60-T64 PolarHBondContact O-N 3.33Å; V60-T64 PolarHBondContact O-OG1 3.09Å; A61-T64 WeakPolarHBondContact CA-OG1 3.21Å; A61-T64 PolarHBondContact O-OG1 2.99Å; A61-T64 VanDerWaalsContact O-OG1 3.04Å; L62-T64 PolarHBondContact O-N 2.9Å; T64-Q67 PolarHBondContact O-N 3.26Å; T64-K68 WeakPolarHBondContact O-CB 3.44Å; T64-K68 PolarHBondContact O-N 3.39Å
65G95.1Very high94.8Very high40 Ų4074.8 Ų74.841%0.41238%0.382SS..Hα-helixtrans-60.5-48.4173.600000112.3A61 L62 K68 E69A61-G65 PolarHBondContact O-N 3.41Å; L62-G65 PolarHBondContact O-N 2.88Å; G65-K68 WeakPolarHBondContact O-CB 3.31Å; G65-K68 PolarHBondContact O-N 2.93Å; G65-E69 PolarHBondContact O-N 3.44Å; G65-E69 VanDerWaalsContact O-N 3.1Å
66I92.1Very high94.7Very high18 Ų1877.5 Ų77.59%0.09239%0.394CS..Hα-helixtrans-63.3-43.6177.9-69.4155.8000111.3L62 E63 K68 E69 R70 V141 R145L62-I66 HydrophobicContact CD1-CD1 3.88Å; L62-I66 HydrophobicContact CG-CD1 3.84Å; L62-I66 WeakPolarHBondContact O-CD1 3.45Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.09Å; E63-I66 PolarHBondContact O-N 3.22Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 3.43Å; I66-E69 PolarHBondContact O-N 2.96Å; I66-R70 PolarHBondContact O-N 2.86Å; I66-V141 HydrophobicContact CB-CG1 4.17Å; I66-V141 HydrophobicContact CG1-CG1 3.85Å; I66-V141 HydrophobicContact CG2-CG1 3.63Å; I66-R145 HydrophobicContact CD1-CB 3.41Å; I66-R145 VanDerWaalsContact CD1-CB 3.41Å; I66-R145 HydrophobicContact CD1-CG 3.43Å; I66-R145 VanDerWaalsContact CD1-CG 3.43Å
67Q93.2Very high94.7Very high81 Ų8174.8 Ų74.838%0.37938%0.382SS..Hα-helixtrans-60.1-42.1178.1-174.654.452.100111.3E63 T64 E69 R70 D71E63-Q67 WeakPolarHBondContact O-CB 3.47Å; E63-Q67 PolarHBondContact O-N 2.89Å; T64-Q67 PolarHBondContact O-N 3.26Å; Q67-E69 VanDerWaalsContact C-N 3.35Å; Q67-E69 PolarHBondContact O-N 3.09Å; Q67-R70 PolarHBondContact O-N 3.32Å; Q67-D71 VanDerWaalsContact NE2-CG 3.32Å; Q67-D71 PolarHBondContact NE2-OD1 2.87Å; Q67-D71 PolarHBondContact NE2-OD2 3.43Å; Q67-D71 PolarHBondContact O-N 3.1Å
68K94.8Very high94.7Very high164 Ų16470.1 Ų70.171%0.71337%0.366SS*.Hα-helixtrans-63-39.4177-174.8-179.6179.1-177.60112.5T64 G65 I66 K72T64-K68 WeakPolarHBondContact O-CB 3.44Å; T64-K68 PolarHBondContact O-N 3.39Å; G65-K68 WeakPolarHBondContact O-CB 3.31Å; G65-K68 PolarHBondContact O-N 2.93Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 3.43Å; K68-K72 PolarHBondContact O-N 3.19Å; K68-K72 VanDerWaalsContact O-N 3.1Å
69E92.4Very high94.7Very high91 Ų9167 Ų6743%0.42536%0.362SS..Hα-helixtrans-66.4-45.8176.2-172.4165-156.600111.4G65 I66 Q67 D71 K72 E73G65-E69 PolarHBondContact O-N 3.44Å; G65-E69 VanDerWaalsContact O-N 3.1Å; I66-E69 PolarHBondContact O-N 2.96Å; Q67-E69 VanDerWaalsContact C-N 3.35Å; Q67-E69 PolarHBondContact O-N 3.09Å; E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 PolarHBondContact O-N 3.11Å; E69-K72 WeakPolarHBondContact O-CB 3.29Å; E69-K72 PolarHBondContact O-N 3.48Å; E69-K72 VanDerWaalsContact O-N 3.1Å; E69-E73 PolarHBondContact O-N 2.89Å
70R91.6Very high94.7Very high76 Ų7667.1 Ų67.129%0.28737%0.365SS..Hα-helixtrans-58.5-41.9174.2-72.9-171.669.7174.31.9112.8I66 Q67 K72 E73 R74 E138I66-R70 PolarHBondContact O-N 2.86Å; Q67-R70 PolarHBondContact O-N 3.32Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å; R70-E73 PolarHBondContact O-N 3.15Å; R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.47Å; R70-R74 PolarHBondContact O-N 3.04Å; R70-E138 IonicContact CZ-OE1 3.62Å; R70-E138 IonicContact NE-OE1 3.49Å; R70-E138 PolarHBondContact NE-OE1 3.35Å; R70-E138 VanDerWaalsContact NE-OE1 3.13Å; R70-E138 IonicContact NH1-OE1 3.46Å; R70-E138 IonicContact NH2-OE1 3.86Å; R70-E138 PolarHBondContact NH2-OE1 3.16Å
71D94.1Very high94.7Very high72 Ų7269.2 Ų69.239%0.38537%0.366SS..Hα-helixtrans-66.7-33.6178.7-67.6-26.6000111.7Q67 E69 R74 A75Q67-D71 VanDerWaalsContact NE2-CG 3.32Å; Q67-D71 PolarHBondContact NE2-OD1 2.87Å; Q67-D71 PolarHBondContact NE2-OD2 3.43Å; Q67-D71 PolarHBondContact O-N 3.1Å; E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 PolarHBondContact O-N 3.11Å; D71-R74 IonicContact OD1-CZ 2.64Å; D71-R74 IonicContact OD1-NH1 3.4Å; D71-R74 PolarHBondContact OD1-NH1 3.08Å; D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 2.99Å; D71-A75 VanDerWaalsContact O-N 3.11Å
72K94.5Very high94.7Very high131 Ų13174.2 Ų74.257%0.5737%0.372SS*.Hα-helixtrans-65-48.9173.4-171.5-168.8176.9-138.10111.5K68 E69 R70 R74 A75 E76K68-K72 PolarHBondContact O-N 3.19Å; K68-K72 VanDerWaalsContact O-N 3.1Å; E69-K72 WeakPolarHBondContact O-CB 3.29Å; E69-K72 PolarHBondContact O-N 3.48Å; E69-K72 VanDerWaalsContact O-N 3.1Å; R70-K72 VanDerWaalsContact C-N 3.29Å; R70-K72 PolarHBondContact O-N 3.31Å; K72-R74 VanDerWaalsContact C-N 3.35Å; K72-R74 PolarHBondContact O-N 3.32Å; K72-A75 WeakPolarHBondContact O-CB 3.28Å; K72-A75 PolarHBondContact O-N 3.33Å; K72-A75 VanDerWaalsContact O-N 3.13Å; K72-E76 WeakPolarHBondContact CE-OE1 3.29Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 PolarHBondContact NZ-OE1 2.87Å; K72-E76 PolarHBondContact O-N 2.96Å
73E93.3Very high94.8Very high15 Ų1577 Ų777%0.0738%0.384CS..Hα-helixtrans-62.8-40.9179-68.4-174.6156.300112.2E69 R70 A75 E76 L77 Q134 R137E69-E73 PolarHBondContact O-N 2.89Å; R70-E73 PolarHBondContact O-N 3.15Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.21Å; E73-E76 PolarHBondContact O-N 2.93Å; E73-L77 PolarHBondContact O-N 3.43Å; E73-Q134 HydrophobicContact CB-CG 4.15Å; E73-R137 WeakPolarHBondContact OE1-CB 3.48Å; E73-R137 VanDerWaalsContact OE1-CD 3.26Å; E73-R137 WeakPolarHBondContact OE1-CD 3.3Å
74R93.9Very high94.9Very high105 Ų10573 Ų7340%0.39637%0.366SS..Hα-helixtrans-60.6-38173.7-72.7-178.8-151142.76.8112.2R70 D71 K72 A78R70-R74 VanDerWaalsContact O-CG 3.3Å; R70-R74 WeakPolarHBondContact O-CG 3.47Å; R70-R74 PolarHBondContact O-N 3.04Å; D71-R74 IonicContact OD1-CZ 2.64Å; D71-R74 IonicContact OD1-NH1 3.4Å; D71-R74 PolarHBondContact OD1-NH1 3.08Å; K72-R74 VanDerWaalsContact C-N 3.35Å; K72-R74 PolarHBondContact O-N 3.32Å; R74-A78 VanDerWaalsContact O-CB 3.3Å; R74-A78 WeakPolarHBondContact O-CB 3.48Å; R74-A78 PolarHBondContact O-N 2.95Å
75A96.3Very high95Very high60 Ų6073.6 Ų73.650%0.49636%0.363SS..Hα-helixtrans-68.2-40.6177.300000111.9D71 K72 E73 A78 A79D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 2.99Å; D71-A75 VanDerWaalsContact O-N 3.11Å; K72-A75 WeakPolarHBondContact O-CB 3.28Å; K72-A75 PolarHBondContact O-N 3.33Å; K72-A75 VanDerWaalsContact O-N 3.13Å; E73-A75 VanDerWaalsContact C-N 3.28Å; E73-A75 PolarHBondContact O-N 3.21Å; A75-A78 PolarHBondContact O-N 3.32Å; A75-A79 PolarHBondContact O-N 3.08Å
76E94.8Very high95Very high81 Ų8174.5 Ų74.538%0.37937%0.366SS..Hα-helixtrans-62.9-45.8175.6-71.6174.7-169.800111.2K72 E73 A78 A79 G80K72-E76 WeakPolarHBondContact CE-OE1 3.29Å; K72-E76 IonicContact NZ-OE1 3.74Å; K72-E76 PolarHBondContact NZ-OE1 2.87Å; K72-E76 PolarHBondContact O-N 2.96Å; E73-E76 PolarHBondContact O-N 2.93Å; E76-A78 PolarHBondContact O-N 3.08Å; E76-A79 WeakPolarHBondContact O-CB 3.44Å; E76-A79 PolarHBondContact O-N 2.97Å; E76-G80 PolarHBondContact O-N 2.9Å
77L96Very high95.2Very high19 Ų1977 Ų7710%0.09937%0.374CS..Hα-helixtrans-63.9-40.3174.8-88.6167.7000113.5E73 A79 G80 R81 F127 L130 E131 Q134E73-L77 PolarHBondContact O-N 3.43Å; L77-A79 PolarHBondContact O-N 3.39Å; L77-G80 PolarHBondContact O-N 3.34Å; L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 PolarHBondContact O-N 3.13Å; L77-F127 HydrophobicContact CD2-CE2 3.9Å; L77-F127 HydrophobicContact CD2-CZ 4.19Å; L77-L130 HydrophobicContact CD2-CD2 4.05Å; L77-L130 HydrophobicContact CD2-CG 3.99Å; L77-L130 HydrophobicContact CG-CG 4.47Å; L77-E131 HydrophobicContact CD2-CB 4.42Å; L77-E131 HydrophobicContact CD2-CG 3.51Å; L77-Q134 HydrophobicContact CD1-CB 3.76Å; L77-Q134 HydrophobicContact CD1-CG 3.4Å; L77-Q134 HydrophobicContact CG-CG 4.44Å
78A96.9Very high95.3Very high35 Ų3577.4 Ų77.429%0.28938%0.376SS..Hα-helixtrans-62.8-35.2175.200000111.6R74 A75 E76 R82R74-A78 VanDerWaalsContact O-CB 3.3Å; R74-A78 WeakPolarHBondContact O-CB 3.48Å; R74-A78 PolarHBondContact O-N 2.95Å; A75-A78 PolarHBondContact O-N 3.32Å; E76-A78 PolarHBondContact O-N 3.08Å; A78-R82 VanDerWaalsContact O-CG 3.3Å; A78-R82 WeakPolarHBondContact O-CG 3.41Å; A78-R82 PolarHBondContact O-N 3.38Å
79A96.7Very high95.4Very high51 Ų5172.4 Ų72.442%0.42137%0.366SS..Hα-helixtrans-68.8-46.5174.500000111.9A75 E76 L77 R81 R82 H83A75-A79 PolarHBondContact O-N 3.08Å; E76-A79 WeakPolarHBondContact O-CB 3.44Å; E76-A79 PolarHBondContact O-N 2.97Å; L77-A79 PolarHBondContact O-N 3.39Å; A79-R81 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 3.04Å; A79-R82 PolarHBondContact O-N 3.27Å; A79-H83 PolarHBondContact O-N 2.98Å
80G95.3Very high95.6Very high13 Ų1371.5 Ų71.513%0.13436%0.363CS..Hα-helixtrans-59-44.3175.700000112.4E76 L77 R82 H83 L84E76-G80 PolarHBondContact O-N 2.9Å; L77-G80 PolarHBondContact O-N 3.34Å; G80-R82 PolarHBondContact O-N 3.4Å; G80-H83 WeakPolarHBondContact O-CB 3.33Å; G80-H83 PolarHBondContact O-N 2.89Å; G80-H83 VanDerWaalsContact O-N 3.1Å; G80-L84 PolarHBondContact O-N 3.44Å
81R97.3Very high95.8Very high110 Ų11071.3 Ų71.342%0.41536%0.363SS..Hα-helixtrans-59.1-45.5177.3-175.8177.8-59-73.1-7.3112L77 A79 H83 L84 E85 F127 E131L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 PolarHBondContact O-N 3.13Å; A79-R81 VanDerWaalsContact C-N 3.35Å; A79-R81 PolarHBondContact O-N 3.04Å; R81-H83 VanDerWaalsContact C-N 3.29Å; R81-H83 PolarHBondContact O-N 3.45Å; R81-L84 PolarHBondContact O-N 2.79Å; R81-E85 HydrophobicContact CG-CG 4.44Å; R81-E85 WeakPolarHBondContact CG-OE1 3.45Å; R81-E85 WeakPolarHBondContact O-CB 3.48Å; R81-E85 VanDerWaalsContact O-CG 3.29Å; R81-E85 WeakPolarHBondContact O-CG 3.47Å; R81-E85 PolarHBondContact O-N 3.11Å; R81-F127 HydrophobicContact CB-CE2 3.88Å; R81-F127 HydrophobicContact CB-CZ 3.91Å; R81-F127 HydrophobicContact CG-CZ 4.45Å; R81-F127 VanDerWaalsContact N-CE2 3.28Å; R81-E131 IonicContact NH2-OE1 2.89Å; R81-E131 PolarHBondContact NH2-OE1 2.95Å
82R96.9Very high95.9Very high166 Ų16670.3 Ų70.363%0.62637%0.365SS*.Hα-helixtrans-62.9-36.2176.3-72.4177.6-158.1135.23112.2A78 A79 G80 A86A78-R82 VanDerWaalsContact O-CG 3.3Å; A78-R82 WeakPolarHBondContact O-CG 3.41Å; A78-R82 PolarHBondContact O-N 3.38Å; A79-R82 PolarHBondContact O-N 3.27Å; G80-R82 PolarHBondContact O-N 3.4Å; R82-A86 WeakPolarHBondContact O-CB 3.38Å; R82-A86 PolarHBondContact O-N 2.64Å
83H95.8Very high95.9Very high103 Ų10369.3 Ų69.348%0.47736%0.362SS..Hα-helixtrans-66.7-45.4178.1-167.338.8000111.2A79 G80 R81 A86 R87 E123A79-H83 PolarHBondContact O-N 2.98Å; G80-H83 WeakPolarHBondContact O-CB 3.33Å; G80-H83 PolarHBondContact O-N 2.89Å; G80-H83 VanDerWaalsContact O-N 3.1Å; R81-H83 VanDerWaalsContact C-N 3.29Å; R81-H83 PolarHBondContact O-N 3.45Å; H83-A86 PolarHBondContact O-N 2.65Å; H83-R87 PolarHBondContact O-N 2.93Å; H83-R87 VanDerWaalsContact O-N 3.08Å; H83-E123 IonicContact CD2-OE1 3.58Å; H83-E123 PolarHBondContact CD2-OE1 3.13Å; H83-E123 IonicContact CD2-OE2 3.74Å; H83-E123 IonicContact CG-OE1 2.69Å; H83-E123 IonicContact NE2-OE2 3.89Å
84L96.9Very high95.9Very high17 Ų1769.7 Ų69.79%0.08936%0.364CS..Hα-helixtrans-60.2-48174.8-177.863000111.8G80 R81 A86 R87 Q88 L120 E123 F127G80-L84 PolarHBondContact O-N 3.44Å; R81-L84 PolarHBondContact O-N 2.79Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.85Å; L84-R87 PolarHBondContact O-N 3.38Å; L84-R87 VanDerWaalsContact O-N 3.16Å; L84-Q88 WeakPolarHBondContact O-CG 3.47Å; L84-Q88 PolarHBondContact O-N 3.38Å; L84-L120 HydrophobicContact CD1-CD1 3.69Å; L84-E123 HydrophobicContact CB-CG 4.43Å; L84-E123 HydrophobicContact CD1-CB 4.24Å; L84-E123 HydrophobicContact CD1-CG 4.02Å; L84-F127 HydrophobicContact CD2-CB 4.15Å; L84-F127 HydrophobicContact CD2-CD1 3.76Å; L84-F127 HydrophobicContact CD2-CE1 4.48Å; L84-F127 HydrophobicContact CD2-CG 4.02Å
85E96.9Very high96Very high98 Ų9867.7 Ų67.746%0.45836%0.36SS..Hα-helixtrans-59.3-41.8177.3-75.1169.7-176.400112.1R81 R87 Q88 A89R81-E85 HydrophobicContact CG-CG 4.44Å; R81-E85 WeakPolarHBondContact CG-OE1 3.45Å; R81-E85 WeakPolarHBondContact O-CB 3.48Å; R81-E85 VanDerWaalsContact O-CG 3.29Å; R81-E85 WeakPolarHBondContact O-CG 3.47Å; R81-E85 PolarHBondContact O-N 3.11Å; E85-R87 VanDerWaalsContact C-N 3.32Å; E85-R87 PolarHBondContact O-N 3.47Å; E85-Q88 PolarHBondContact O-N 3.19Å; E85-A89 WeakPolarHBondContact O-CB 3.23Å; E85-A89 PolarHBondContact O-N 3.4Å
86A96.3Very high95.8Very high59 Ų5968.7 Ų68.749%0.48836%0.359SS..Hα-helixtrans-63.5-38.3176.700000112.2R82 H83 L84 A89 L90R82-A86 WeakPolarHBondContact O-CB 3.38Å; R82-A86 PolarHBondContact O-N 2.64Å; H83-A86 PolarHBondContact O-N 2.65Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.85Å; A86-A89 PolarHBondContact O-N 3.47Å; A86-L90 PolarHBondContact O-N 2.92Å
87R94.6Very high95.7Very high69 Ų6968.9 Ų68.926%0.2636%0.36SS..Hα-helixtrans-72.2-38.9178.8-143.4153173.361.5-22.1111.9H83 L84 E85 A89 L90 Y91 E116 L120H83-R87 PolarHBondContact O-N 2.93Å; H83-R87 VanDerWaalsContact O-N 3.08Å; L84-R87 PolarHBondContact O-N 3.38Å; L84-R87 VanDerWaalsContact O-N 3.16Å; E85-R87 VanDerWaalsContact C-N 3.32Å; E85-R87 PolarHBondContact O-N 3.47Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 2.96Å; R87-L90 PolarHBondContact O-N 2.97Å; R87-Y91 PolarHBondContact O-N 3.14Å; R87-E116 WeakPolarHBondContact CG-OE1 3.32Å; R87-E116 IonicContact CZ-OE1 2.9Å; R87-E116 IonicContact CZ-OE2 3.74Å; R87-E116 IonicContact NE-OE1 3.57Å; R87-E116 IonicContact NH1-OE1 2.68Å; R87-E116 PolarHBondContact NH1-OE1 3.37Å; R87-E116 IonicContact NH1-OE2 3.54Å; R87-E116 PolarHBondContact NH1-OE2 3.48Å; R87-L120 HydrophobicContact CB-CD1 4.22Å
88Q96.7Very high95.5Very high91 Ų9168.8 Ų68.843%0.42536%0.36SS..Hα-helixtrans-60.6-42.2170.8-71.6175-10.400111.9L84 E85 Y91 A92 L120L84-Q88 WeakPolarHBondContact O-CG 3.47Å; L84-Q88 PolarHBondContact O-N 3.38Å; E85-Q88 PolarHBondContact O-N 3.19Å; Q88-Y91 PolarHBondContact O-N 3.01Å; Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 2.74Å; Q88-L120 HydrophobicContact CB-CD1 4.47Å; Q88-L120 HydrophobicContact CG-CD1 3.5Å; Q88-L120 VanDerWaalsContact CG-CD1 3.5Å; Q88-L120 HydrophobicContact CG-CD2 4.13Å; Q88-L120 HydrophobicContact CG-CG 4.45Å
89A96.9Very high95.1Very high59 Ų5972.1 Ų72.149%0.48837%0.373SS..Hα-helixtrans-64-43.8176.900000112E85 A86 R87 A92 E93E85-A89 WeakPolarHBondContact O-CB 3.23Å; E85-A89 PolarHBondContact O-N 3.4Å; A86-A89 PolarHBondContact O-N 3.47Å; R87-A89 VanDerWaalsContact C-N 3.34Å; R87-A89 PolarHBondContact O-N 2.96Å; A89-A92 PolarHBondContact O-N 2.95Å; A89-E93 PolarHBondContact O-N 2.97Å
90L95.9Very high94.8Very high72 Ų7276 Ų7638%0.37739%0.386SS..Hα-helixtrans-61.9-43.5176.3-179.261.2000111.9A86 R87 E93 L94 E116A86-L90 PolarHBondContact O-N 2.92Å; R87-L90 PolarHBondContact O-N 2.97Å; L90-E93 PolarHBondContact O-N 3.32Å; L90-L94 HydrophobicContact CG-CD1 4.37Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.03Å; L90-E116 HydrophobicContact CD2-CG 4.39Å; L90-E116 HydrophobicContact CG-CG 4.37Å
91Y95.6Very high94.5Very high72 Ų7276.1 Ų76.128%0.28239%0.385SS..Hα-helixtrans-59.4-46.2174.8179.3-97.1000111.9R87 Q88 E93 L94 Q95 L113 E116 A117 L120R87-Y91 PolarHBondContact O-N 3.14Å; Q88-Y91 PolarHBondContact O-N 3.01Å; Y91-E93 VanDerWaalsContact C-N 3.32Å; Y91-E93 PolarHBondContact O-N 3.13Å; Y91-L94 PolarHBondContact O-N 3.14Å; Y91-Q95 WeakPolarHBondContact O-CB 3.49Å; Y91-Q95 PolarHBondContact O-N 3.49Å; Y91-L113 HydrophobicContact CD2-CD1 3.6Å; Y91-L113 HydrophobicContact CD2-CG 4.4Å; Y91-L113 HydrophobicContact CE2-CD1 3.35Å; Y91-L113 HydrophobicContact CE2-CG 3.77Å; Y91-L113 HydrophobicContact CG-CD1 4.35Å; Y91-E116 HydrophobicContact CD2-CB 4.44Å; Y91-E116 HydrophobicContact CD2-CG 4.46Å; Y91-A117 HydrophobicContact CD2-CB 4.29Å; Y91-A117 HydrophobicContact CE2-CB 3.69Å; Y91-L120 HydrophobicContact CD1-CD2 4.41Å; Y91-L120 HydrophobicContact CG-CD2 4.2Å
92A96Very high94.1Very high51 Ų5175 Ų7542%0.42139%0.392SS..Hα-helixtrans-64-36177.500000112.8Q88 A89 T96Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 2.74Å; A89-A92 PolarHBondContact O-N 2.95Å; A92-T96 PolarHBondContact O-N 3Å; A92-T96 PolarHBondContact O-OG1 2.96Å
93E95.2Very high93.5Very high110 Ų11074.9 Ų74.951%0.51440%0.399SS..Hα-helixtrans-66.4-48174.6-172.5175.7-177.100111.5A89 L90 Y91 Q95 T96 Q97A89-E93 PolarHBondContact O-N 2.97Å; L90-E93 PolarHBondContact O-N 3.32Å; Y91-E93 VanDerWaalsContact C-N 3.32Å; Y91-E93 PolarHBondContact O-N 3.13Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 3.38Å; E93-T96 WeakPolarHBondContact O-CB 3.45Å; E93-T96 PolarHBondContact O-N 3.4Å; E93-T96 VanDerWaalsContact O-N 3.13Å; E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 3.32Å
94L93.8Very high93.1Very high22 Ų2275.2 Ų75.212%0.11541%0.413CS..Hα-helixtrans-60.3-38.6175.7-73.9173000112.1L90 Y91 Q97 L98 L109 L113 E116L90-L94 HydrophobicContact CG-CD1 4.37Å; L90-L94 WeakPolarHBondContact O-CG 3.24Å; L90-L94 PolarHBondContact O-N 3.03Å; Y91-L94 PolarHBondContact O-N 3.14Å; L94-Q97 PolarHBondContact O-N 3.4Å; L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 PolarHBondContact O-N 3.46Å; L94-L109 HydrophobicContact CD2-CD2 4.43Å; L94-L113 HydrophobicContact CB-CD1 3.78Å; L94-E116 HydrophobicContact CD1-CB 3.95Å; L94-E116 HydrophobicContact CD1-CG 4.11Å
95Q94.5Very high92.8Very high64 Ų6477.1 Ų77.130%0.29943%0.425SS..Hα-helixtrans-60.2-46.6174-174.666.556.600111Y91 E93 Q97 L98 D99 L113Y91-Q95 WeakPolarHBondContact O-CB 3.49Å; Y91-Q95 PolarHBondContact O-N 3.49Å; E93-Q95 VanDerWaalsContact C-N 3.29Å; E93-Q95 PolarHBondContact O-N 3.38Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.27Å; Q95-L98 WeakPolarHBondContact O-CB 3.44Å; Q95-L98 PolarHBondContact O-N 2.89Å; Q95-D99 PolarHBondContact O-N 3.34Å; Q95-D99 VanDerWaalsContact O-N 3.15Å; Q95-L113 HydrophobicContact CB-CD1 4.23Å; Q95-L113 VanDerWaalsContact OE1-CD2 3.27Å
96T93.9Very high92.5Very high80 Ų8076.4 Ų76.449%0.49142%0.418SS..Hα-helixtrans-65-36.7178.2-54.20000112A92 E93 N100A92-T96 PolarHBondContact O-N 3Å; A92-T96 PolarHBondContact O-OG1 2.96Å; E93-T96 WeakPolarHBondContact O-CB 3.45Å; E93-T96 PolarHBondContact O-N 3.4Å; E93-T96 VanDerWaalsContact O-N 3.13Å; T96-N100 PolarHBondContact O-N 2.91Å; T96-N100 PolarHBondContact O-ND2 2.94Å
97Q92Very high92.2Very high85 Ų8581.3 Ų81.340%0.39743%0.431SS..Hα-helixtrans-67.6-39.3175.5-70.7177.11300111.6E93 L94 Q95 D99 N100 C101E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 3.32Å; L94-Q97 PolarHBondContact O-N 3.4Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.27Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 2.91Å; Q97-N100 PolarHBondContact O-N 3.49Å; Q97-C101 VanDerWaalsContact O-CB 3.31Å; Q97-C101 WeakPolarHBondContact O-CB 3.42Å; Q97-C101 PolarHBondContact O-N 3.49Å; Q97-C101 VanDerWaalsContact O-N 3.12Å
98L90.7Very high92Very high17 Ų1784.3 Ų84.39%0.08945%0.448CS..Hα-helixtrans-61.8-39.6176.5179.363.6000112.2L94 Q95 N100 C101 R106 L109 Q110 L113L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 PolarHBondContact O-N 3.46Å; Q95-L98 WeakPolarHBondContact O-CB 3.44Å; Q95-L98 PolarHBondContact O-N 2.89Å; L98-N100 PolarHBondContact O-N 3.28Å; L98-C101 PolarHBondContact O-SG 3.49Å; L98-R106 HydrophobicContact CD1-CG 3.98Å; L98-L109 HydrophobicContact CD1-CB 3.94Å; L98-Q110 HydrophobicContact CD1-CG 3.62Å; L98-Q110 HydrophobicContact CD2-CG 3.92Å; L98-Q110 HydrophobicContact CG-CG 4.44Å; L98-L113 HydrophobicContact CD2-CD2 3.69Å
99D89.6Confident91.7Very high106 Ų10681 Ų8157%0.56743%0.433SS*.Hα-helixtrans-65.3-28178.7-67-21.2000112.4Q95 Q97Q95-D99 PolarHBondContact O-N 3.34Å; Q95-D99 VanDerWaalsContact O-N 3.15Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 2.91Å
100N90.4Very high91.5Very high131 Ų13182.9 Ų82.970%0.70143%0.432SS*.THydrogen-bonded Turntrans-106.74.9-175-65.7-57.6000114.6T96 Q97 L98T96-N100 PolarHBondContact O-N 2.91Å; T96-N100 PolarHBondContact O-ND2 2.94Å; Q97-N100 PolarHBondContact O-N 3.49Å; L98-N100 PolarHBondContact O-N 3.28Å
101C88.8Confident91.3Very high17 Ų1783.3 Ų83.312%0.11543%0.432CS..  trans-89152-170.973.70000115.1Q97 L98 V105 L109Q97-C101 VanDerWaalsContact O-CB 3.31Å; Q97-C101 WeakPolarHBondContact O-CB 3.42Å; Q97-C101 PolarHBondContact O-N 3.49Å; Q97-C101 VanDerWaalsContact O-N 3.12Å; L98-C101 PolarHBondContact O-SG 3.49Å; C101-V105 HydrophobicContact CB-CG2 3.9Å; C101-L109 HydrophobicContact CB-CD1 3.46Å; C101-L109 VanDerWaalsContact CB-CD1 3.46Å
102P87.9Confident91.2Very high85 Ų8583.7 Ų83.755%0.55244%0.436SS*.  trans-63149.7167.1-18.329.8000112.6S104 V105 R106P102-S104 PolarHBondContact O-N 3.04Å; P102-S104 VanDerWaalsContact O-N 3.12Å; P102-V105 HydrophobicContact CB-CG2 4.47Å; P102-V105 HydrophobicContact CG-CG2 4.47Å; P102-V105 VanDerWaalsContact O-CG2 3.3Å; P102-V105 WeakPolarHBondContact O-CG2 3.4Å; P102-V105 PolarHBondContact O-N 3.29Å; P102-V105 VanDerWaalsContact O-N 3.12Å; P102-R106 PolarHBondContact O-N 3.49Å
103E84.8Confident91.1Very high164 Ų16482 Ų8277%0.76642%0.42SS*.Hα-helixtrans-59.8-29-176.4-157.7165-154.800113.4V105 R106E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 3.33Å; E103-R106 PolarHBondContact O-N 3.42Å
104S87.3Confident91Very high111 Ų11184.1 Ų84.178%0.77642%0.423SS*.Hα-helixtrans-66.9-20.3178.960.40000115.2P102P102-S104 PolarHBondContact O-N 3.04Å; P102-S104 VanDerWaalsContact O-N 3.12Å
105V90.9Very high91.1Very high56 Ų5689.9 Ų89.934%0.33944%0.444SS..Hα-helixtrans-114.8-3.7179.6-63.20000112.9C101 P102 E103 E107 Q108 L109C101-V105 HydrophobicContact CB-CG2 3.9Å; P102-V105 HydrophobicContact CB-CG2 4.47Å; P102-V105 HydrophobicContact CG-CG2 4.47Å; P102-V105 VanDerWaalsContact O-CG2 3.3Å; P102-V105 WeakPolarHBondContact O-CG2 3.4Å; P102-V105 PolarHBondContact O-N 3.29Å; P102-V105 VanDerWaalsContact O-N 3.12Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 3.33Å; V105-E107 PolarHBondContact O-N 2.85Å; V105-Q108 PolarHBondContact O-N 3.16Å; V105-L109 HydrophobicContact CG2-CD1 4.2Å; V105-L109 PolarHBondContact O-N 2.99Å; V105-L109 VanDerWaalsContact O-N 3.08Å
106R90.6Very high91.2Very high84 Ų8487.9 Ų87.932%0.31743%0.434SS..Hα-helixtrans-59.9-44.6-175.2174.7168.7-87119.55.1112.5L98 P102 E103 Q108 L109 Q110L98-R106 HydrophobicContact CD1-CG 3.98Å; P102-R106 PolarHBondContact O-N 3.49Å; E103-R106 PolarHBondContact O-N 3.42Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.88Å; R106-L109 PolarHBondContact O-N 3.27Å; R106-Q110 HydrophobicContact CG-CG 4.41Å; R106-Q110 WeakPolarHBondContact O-CB 3.46Å; R106-Q110 VanDerWaalsContact O-CG 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.49Å; R106-Q110 PolarHBondContact O-N 3.25Å
107E90.1Very high91.2Very high162 Ų16285.7 Ų85.776%0.75742%0.424SS*.Hα-helixtrans-63.6-39.7-179.5-169.8174.1-166.500111.9V105 Q110 E111V105-E107 PolarHBondContact O-N 2.85Å; E107-Q110 PolarHBondContact O-N 3.01Å; E107-E111 PolarHBondContact O-N 3.47Å; E107-E111 VanDerWaalsContact O-N 3.09Å
108Q90Very high91.4Very high131 Ų13186.2 Ų86.261%0.61243%0.427SS*.Hα-helixtrans-65.9-41.9176.1-175.1178.2-2.900112.1V105 R106 E111 Q112V105-Q108 PolarHBondContact O-N 3.16Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.88Å; Q108-E111 PolarHBondContact O-N 3.32Å; Q108-Q112 WeakPolarHBondContact O-CG 3.39Å; Q108-Q112 PolarHBondContact O-N 3.02Å
109L91.1Very high91.6Very high23 Ų2386.3 Ų86.312%0.1243%0.43CS..Hα-helixtrans-67.9-36.7176.6-79.7166000112.2L94 L98 C101 V105 R106 Q112 L113L94-L109 HydrophobicContact CD2-CD2 4.43Å; L98-L109 HydrophobicContact CD1-CB 3.94Å; C101-L109 HydrophobicContact CB-CD1 3.46Å; C101-L109 VanDerWaalsContact CB-CD1 3.46Å; V105-L109 HydrophobicContact CG2-CD1 4.2Å; V105-L109 PolarHBondContact O-N 2.99Å; V105-L109 VanDerWaalsContact O-N 3.08Å; R106-L109 PolarHBondContact O-N 3.27Å; L109-Q112 PolarHBondContact O-N 2.93Å; L109-L113 VanDerWaalsContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 PolarHBondContact O-N 3.44Å
110Q92.1Very high91.9Very high98 Ų9882.6 Ų82.646%0.45841%0.41SS..Hα-helixtrans-62.8-43.3174.4-76.9175.3-24.300111.9L98 R106 E107 L113 R114L98-Q110 HydrophobicContact CD1-CG 3.62Å; L98-Q110 HydrophobicContact CD2-CG 3.92Å; L98-Q110 HydrophobicContact CG-CG 4.44Å; R106-Q110 HydrophobicContact CG-CG 4.41Å; R106-Q110 WeakPolarHBondContact O-CB 3.46Å; R106-Q110 VanDerWaalsContact O-CG 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.49Å; R106-Q110 PolarHBondContact O-N 3.25Å; E107-Q110 PolarHBondContact O-N 3.01Å; Q110-L113 PolarHBondContact O-N 2.99Å; Q110-R114 WeakPolarHBondContact O-CB 3.2Å; Q110-R114 PolarHBondContact O-N 3.26Å
111E93.1Very high92.2Very high81 Ų8181.4 Ų81.438%0.37940%0.4SS..Hα-helixtrans-68-38177.4179.961.2-164.600112E107 Q108 R114 R115E107-E111 PolarHBondContact O-N 3.47Å; E107-E111 VanDerWaalsContact O-N 3.09Å; Q108-E111 PolarHBondContact O-N 3.32Å; E111-R114 PolarHBondContact O-N 3.38Å; E111-R115 VanDerWaalsContact CG-CZ 3.43Å; E111-R115 WeakPolarHBondContact O-CG 3.3Å; E111-R115 PolarHBondContact O-N 3.14Å; E111-R115 VanDerWaalsContact O-N 3.08Å; E111-R115 IonicContact OE1-CZ 3.81Å; E111-R115 IonicContact OE1-NE 2.68Å; E111-R115 PolarHBondContact OE1-NE 3.28Å; E111-R115 IonicContact OE1-NH2 3.85Å; E111-R115 PolarHBondContact OE1-NH2 2.7Å
112Q92.3Very high92.5Very high80 Ų8084.2 Ų84.237%0.37442%0.417SS..Hα-helixtrans-64.1-44.7172.7-77.7178.2-23.400112.3Q108 L109 R114 R115 E116Q108-Q112 WeakPolarHBondContact O-CG 3.39Å; Q108-Q112 PolarHBondContact O-N 3.02Å; L109-Q112 PolarHBondContact O-N 2.93Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.47Å; Q112-R115 PolarHBondContact O-N 3.5Å; Q112-E116 PolarHBondContact O-N 3.4Å
113L93.8Very high92.9Very high16 Ų1681.6 Ų81.68%0.08440%0.397CS..Hα-helixtrans-61.8-39.4176.5-175.772.5000111.5Y91 L94 Q95 L98 L109 Q110 E116 A117Y91-L113 HydrophobicContact CD2-CD1 3.6Å; Y91-L113 HydrophobicContact CD2-CG 4.4Å; Y91-L113 HydrophobicContact CE2-CD1 3.35Å; Y91-L113 HydrophobicContact CE2-CG 3.77Å; Y91-L113 HydrophobicContact CG-CD1 4.35Å; L94-L113 HydrophobicContact CB-CD1 3.78Å; Q95-L113 HydrophobicContact CB-CD1 4.23Å; Q95-L113 VanDerWaalsContact OE1-CD2 3.27Å; L98-L113 HydrophobicContact CD2-CD2 3.69Å; L109-L113 VanDerWaalsContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 PolarHBondContact O-N 3.44Å; Q110-L113 PolarHBondContact O-N 2.99Å; L113-E116 PolarHBondContact O-N 2.95Å; L113-A117 WeakPolarHBondContact O-CB 3.46Å; L113-A117 PolarHBondContact O-N 3.44Å
114R94.4Very high93.4Very high154 Ų15475.8 Ų75.858%0.58137%0.373SS*.Hα-helixtrans-62.3-46.4175.3-175-175170.6132.83111.7Q110 E111 Q112 E116 A117 E118Q110-R114 WeakPolarHBondContact O-CB 3.2Å; Q110-R114 PolarHBondContact O-N 3.26Å; E111-R114 PolarHBondContact O-N 3.38Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 3.47Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.03Å; R114-A117 WeakPolarHBondContact O-CB 3.36Å; R114-A117 PolarHBondContact O-N 2.89Å; R114-E118 IonicContact CZ-OE1 2.56Å; R114-E118 IonicContact NE-OE1 3.23Å; R114-E118 PolarHBondContact NE-OE1 3.02Å; R114-E118 IonicContact NH2-OE1 3.61Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.9Å
115R95.3Very high93.9Very high143 Ų14375.4 Ų75.454%0.5436%0.357SS..Hα-helixtrans-61.7-41.2176.2-71177.5-1711336.6112E111 Q112 E118 A119E111-R115 VanDerWaalsContact CG-CZ 3.43Å; E111-R115 WeakPolarHBondContact O-CG 3.3Å; E111-R115 PolarHBondContact O-N 3.14Å; E111-R115 VanDerWaalsContact O-N 3.08Å; E111-R115 IonicContact OE1-CZ 3.81Å; E111-R115 IonicContact OE1-NE 2.68Å; E111-R115 PolarHBondContact OE1-NE 3.28Å; E111-R115 IonicContact OE1-NH2 3.85Å; E111-R115 PolarHBondContact OE1-NH2 2.7Å; Q112-R115 PolarHBondContact O-N 3.5Å; R115-E118 PolarHBondContact O-N 3.43Å; R115-A119 VanDerWaalsContact O-CB 3.31Å; R115-A119 WeakPolarHBondContact O-CB 3.48Å; R115-A119 PolarHBondContact O-N 3.21Å
116E95.4Very high94.1Very high22 Ų2277.7 Ų77.710%0.10337%0.367CS..Hα-helixtrans-70.1-33.4177.8-166.359.3-160.500111.8R87 L90 Y91 L94 Q112 L113 R114 A119 L120R87-E116 WeakPolarHBondContact CG-OE1 3.32Å; R87-E116 IonicContact CZ-OE1 2.9Å; R87-E116 IonicContact CZ-OE2 3.74Å; R87-E116 IonicContact NE-OE1 3.57Å; R87-E116 IonicContact NH1-OE1 2.68Å; R87-E116 PolarHBondContact NH1-OE1 3.37Å; R87-E116 IonicContact NH1-OE2 3.54Å; R87-E116 PolarHBondContact NH1-OE2 3.48Å; L90-E116 HydrophobicContact CD2-CG 4.39Å; L90-E116 HydrophobicContact CG-CG 4.37Å; Y91-E116 HydrophobicContact CD2-CB 4.44Å; Y91-E116 HydrophobicContact CD2-CG 4.46Å; L94-E116 HydrophobicContact CD1-CB 3.95Å; L94-E116 HydrophobicContact CD1-CG 4.11Å; Q112-E116 PolarHBondContact O-N 3.4Å; L113-E116 PolarHBondContact O-N 2.95Å; R114-E116 VanDerWaalsContact C-N 3.32Å; R114-E116 PolarHBondContact O-N 3.03Å; E116-A119 PolarHBondContact O-N 3.41Å; E116-L120 VanDerWaalsContact O-CB 3.23Å; E116-L120 WeakPolarHBondContact O-CB 3.3Å; E116-L120 PolarHBondContact O-N 2.92Å
117A94.8Very high94.4Very high34 Ų3474.2 Ų74.228%0.28135%0.354SS..Hα-helixtrans-63-49.4172.300000111.9Y91 L113 R114 A119 L120 E121Y91-A117 HydrophobicContact CD2-CB 4.29Å; Y91-A117 HydrophobicContact CE2-CB 3.69Å; L113-A117 WeakPolarHBondContact O-CB 3.46Å; L113-A117 PolarHBondContact O-N 3.44Å; R114-A117 WeakPolarHBondContact O-CB 3.36Å; R114-A117 PolarHBondContact O-N 2.89Å; A117-A119 PolarHBondContact O-N 3.45Å; A117-L120 PolarHBondContact O-N 3.3Å; A117-E121 PolarHBondContact O-N 2.96Å
118E96.1Very high94.7Very high96 Ų9670.9 Ų70.945%0.44934%0.339SS..Hα-helixtrans-58.9-41.4176.6-71.6173.1-169.800110.2R114 R115 E121 T122R114-E118 IonicContact CZ-OE1 2.56Å; R114-E118 IonicContact NE-OE1 3.23Å; R114-E118 PolarHBondContact NE-OE1 3.02Å; R114-E118 IonicContact NH2-OE1 3.61Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.9Å; R115-E118 PolarHBondContact O-N 3.43Å; E118-E121 PolarHBondContact O-N 3.41Å; E118-T122 WeakPolarHBondContact O-CG2 3.48Å; E118-T122 PolarHBondContact O-N 3.06Å
119A95.1Very high95Very high19 Ų1968.9 Ų68.916%0.15733%0.332CS..Hα-helixtrans-76.2-29.9-17900000114.1R115 E116 A117 T122 E123R115-A119 VanDerWaalsContact O-CB 3.31Å; R115-A119 WeakPolarHBondContact O-CB 3.48Å; R115-A119 PolarHBondContact O-N 3.21Å; E116-A119 PolarHBondContact O-N 3.41Å; A117-A119 PolarHBondContact O-N 3.45Å; A119-T122 VanDerWaalsContact CA-OG1 3.3Å; A119-T122 WeakPolarHBondContact CA-OG1 3.34Å; A119-T122 PolarHBondContact O-OG1 3.31Å; A119-E123 WeakPolarHBondContact O-CB 3.5Å; A119-E123 PolarHBondContact O-N 2.9Å
120L96.5Very high95.2Very high27 Ų2770 Ų7014%0.14134%0.338CS..Hα-helixtrans-67.5-40169.6174.660.6000111L84 R87 Q88 Y91 E116 A117 T122 E123 T124L84-L120 HydrophobicContact CD1-CD1 3.69Å; R87-L120 HydrophobicContact CB-CD1 4.22Å; Q88-L120 HydrophobicContact CB-CD1 4.47Å; Q88-L120 HydrophobicContact CG-CD1 3.5Å; Q88-L120 VanDerWaalsContact CG-CD1 3.5Å; Q88-L120 HydrophobicContact CG-CD2 4.13Å; Q88-L120 HydrophobicContact CG-CG 4.45Å; Y91-L120 HydrophobicContact CD1-CD2 4.41Å; Y91-L120 HydrophobicContact CG-CD2 4.2Å; E116-L120 VanDerWaalsContact O-CB 3.23Å; E116-L120 WeakPolarHBondContact O-CB 3.3Å; E116-L120 PolarHBondContact O-N 2.92Å; A117-L120 PolarHBondContact O-N 3.3Å; L120-T122 VanDerWaalsContact C-N 3.35Å; L120-E123 PolarHBondContact O-N 3.5Å; L120-T124 WeakPolarHBondContact O-CB 3.42Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.5Å
121E96.1Very high95.4Very high106 Ų10668.5 Ų68.550%0.49533%0.331SS..Hα-helixtrans-62.2-43.3174.2-169.7-171.1159.500110.9A117 E118 T124 K125A117-E121 PolarHBondContact O-N 2.96Å; E118-E121 PolarHBondContact O-N 3.41Å; E121-T124 PolarHBondContact O-N 3.42Å; E121-K125 WeakPolarHBondContact O-CG 3.37Å; E121-K125 PolarHBondContact O-N 3.47Å; E121-K125 VanDerWaalsContact O-N 3.12Å; E121-K125 WeakPolarHBondContact OE1-CE 3.45Å; E121-K125 IonicContact OE1-NZ 3.97Å; E121-K125 PolarHBondContact OE1-NZ 3.46Å
122T95.8Very high95.5Very high77 Ų7770.9 Ų70.947%0.47234%0.34SS..Hα-helixtrans-63.1-42.5174.656.40000112.2E118 A119 L120 T124 K125 L126E118-T122 WeakPolarHBondContact O-CG2 3.48Å; E118-T122 PolarHBondContact O-N 3.06Å; A119-T122 VanDerWaalsContact CA-OG1 3.3Å; A119-T122 WeakPolarHBondContact CA-OG1 3.34Å; A119-T122 PolarHBondContact O-OG1 3.31Å; L120-T122 VanDerWaalsContact C-N 3.35Å; T122-T124 VanDerWaalsContact C-N 3.33Å; T122-T124 PolarHBondContact O-N 3.27Å; T122-K125 PolarHBondContact O-N 2.92Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.94Å
123E95.2Very high95.6Very high29 Ų2971 Ų7114%0.13634%0.341CS..Hα-helixtrans-66.8-37.1179.6-169.658.3-148.600111.7H83 L84 A119 L120 L126 F127H83-E123 IonicContact CD2-OE1 3.58Å; H83-E123 PolarHBondContact CD2-OE1 3.13Å; H83-E123 IonicContact CD2-OE2 3.74Å; H83-E123 IonicContact CG-OE1 2.69Å; H83-E123 IonicContact NE2-OE2 3.89Å; L84-E123 HydrophobicContact CB-CG 4.43Å; L84-E123 HydrophobicContact CD1-CB 4.24Å; L84-E123 HydrophobicContact CD1-CG 4.02Å; A119-E123 WeakPolarHBondContact O-CB 3.5Å; A119-E123 PolarHBondContact O-N 2.9Å; L120-E123 PolarHBondContact O-N 3.5Å; E123-L126 PolarHBondContact O-N 2.67Å; E123-F127 WeakPolarHBondContact O-CB 3.43Å; E123-F127 PolarHBondContact O-N 3.38Å
124T96.1Very high95.6Very high42 Ų4271.7 Ų71.726%0.25834%0.344SS..Hα-helixtrans-61.1-46.5175.4-56.20000110.6L120 E121 T122 L126 F127 E128L120-T124 WeakPolarHBondContact O-CB 3.42Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.5Å; E121-T124 PolarHBondContact O-N 3.42Å; T122-T124 VanDerWaalsContact C-N 3.33Å; T122-T124 PolarHBondContact O-N 3.27Å; T124-L126 PolarHBondContact O-N 3.06Å; T124-F127 PolarHBondContact O-N 3.45Å; T124-E128 WeakPolarHBondContact O-CG 3.34Å; T124-E128 PolarHBondContact O-N 3.36Å
125K97.2Very high95.6Very high103 Ų10369.2 Ų69.245%0.44834%0.342SS..Hα-helixtrans-62-43.2176.3-71171.6-175.1164.70112.1E121 T122 F127 E128 D129E121-K125 WeakPolarHBondContact O-CG 3.37Å; E121-K125 PolarHBondContact O-N 3.47Å; E121-K125 VanDerWaalsContact O-N 3.12Å; E121-K125 WeakPolarHBondContact OE1-CE 3.45Å; E121-K125 IonicContact OE1-NZ 3.97Å; E121-K125 PolarHBondContact OE1-NZ 3.46Å; T122-K125 PolarHBondContact O-N 2.92Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 2.81Å; K125-E128 PolarHBondContact O-N 3.48Å; K125-D129 WeakPolarHBondContact O-CB 3.44Å; K125-D129 PolarHBondContact O-N 3.13Å
126L95.6Very high95.5Very high104 Ų10468.1 Ų68.155%0.54534%0.342SS..Hα-helixtrans-62.4-38.8176.9-70.8173.1000112.1T122 E123 T124 L130T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 2.94Å; E123-L126 PolarHBondContact O-N 2.67Å; T124-L126 PolarHBondContact O-N 3.06Å; L126-L130 WeakPolarHBondContact O-CB 3.23Å; L126-L130 PolarHBondContact O-N 2.88Å
127F97.2Very high95.2Very high11 Ų1171.8 Ų71.85%0.04836%0.355CS..Hα-helixtrans-70.9-42.3177-176.1-104.3000112.4L77 R81 L84 E123 T124 K125 L130 E131L77-F127 HydrophobicContact CD2-CE2 3.9Å; L77-F127 HydrophobicContact CD2-CZ 4.19Å; R81-F127 HydrophobicContact CB-CE2 3.88Å; R81-F127 HydrophobicContact CB-CZ 3.91Å; R81-F127 HydrophobicContact CG-CZ 4.45Å; R81-F127 VanDerWaalsContact N-CE2 3.28Å; L84-F127 HydrophobicContact CD2-CB 4.15Å; L84-F127 HydrophobicContact CD2-CD1 3.76Å; L84-F127 HydrophobicContact CD2-CE1 4.48Å; L84-F127 HydrophobicContact CD2-CG 4.02Å; E123-F127 WeakPolarHBondContact O-CB 3.43Å; E123-F127 PolarHBondContact O-N 3.38Å; T124-F127 PolarHBondContact O-N 3.45Å; K125-F127 VanDerWaalsContact C-N 3.31Å; K125-F127 PolarHBondContact O-N 2.81Å; F127-L130 WeakPolarHBondContact O-CB 3.37Å; F127-L130 PolarHBondContact O-N 2.96Å; F127-E131 HydrophobicContact CD1-CG 4.43Å; F127-E131 HydrophobicContact CE1-CG 3.9Å; F127-E131 VanDerWaalsContact CE1-OE1 3.24Å; F127-E131 WeakPolarHBondContact CE1-OE1 3.48Å; F127-E131 HydrophobicContact CE2-CG 4.47Å; F127-E131 HydrophobicContact CZ-CG 3.91Å; F127-E131 WeakPolarHBondContact CZ-OE1 3.43Å; F127-E131 PolarHBondContact O-N 2.93Å
128E96.6Very high95Very high93 Ų9372.4 Ų72.444%0.43535%0.352SS..Hα-helixtrans-57.9-49.4172.7-74.1174.5176.900110.7T124 K125 L130 E131 F132T124-E128 WeakPolarHBondContact O-CG 3.34Å; T124-E128 PolarHBondContact O-N 3.36Å; K125-E128 PolarHBondContact O-N 3.48Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 2.96Å; E128-E131 PolarHBondContact O-N 3.46Å; E128-E131 VanDerWaalsContact O-N 3.12Å; E128-F132 HydrophobicContact CB-CE2 4.38Å; E128-F132 WeakPolarHBondContact O-CD2 3.42Å; E128-F132 PolarHBondContact O-N 3.2Å
129D96.3Very high94.6Very high89 Ų8971.4 Ų71.448%0.47636%0.356SS..Hα-helixtrans-58.2-38.6175.9-77.1-19000112K125 F132 Q133K125-D129 WeakPolarHBondContact O-CB 3.44Å; K125-D129 PolarHBondContact O-N 3.13Å; D129-F132 PolarHBondContact O-N 3.48Å; D129-Q133 WeakPolarHBondContact O-CB 3.29Å; D129-Q133 VanDerWaalsContact O-CG 3.25Å; D129-Q133 WeakPolarHBondContact O-CG 3.43Å; D129-Q133 PolarHBondContact O-N 3.35Å
130L95.4Very high94.3Very high45 Ų4578.1 Ų78.124%0.23638%0.377CS..Hα-helixtrans-64.7-42.5175.7-177.266.5000111.8L77 L126 F127 E128 Q133 Q134L77-L130 HydrophobicContact CD2-CD2 4.05Å; L77-L130 HydrophobicContact CD2-CG 3.99Å; L77-L130 HydrophobicContact CG-CG 4.47Å; L126-L130 WeakPolarHBondContact O-CB 3.23Å; L126-L130 PolarHBondContact O-N 2.88Å; F127-L130 WeakPolarHBondContact O-CB 3.37Å; F127-L130 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 2.96Å; L130-Q133 PolarHBondContact O-N 2.91Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 PolarHBondContact O-N 2.68Å
131E95.6Very high93.9Very high67 Ų6777.5 Ų77.531%0.31338%0.375SS..Hα-helixtrans-63-42.7174.9-74.9-174.3140.800111.3L77 R81 F127 E128 Q134 L135L77-E131 HydrophobicContact CD2-CB 4.42Å; L77-E131 HydrophobicContact CD2-CG 3.51Å; R81-E131 IonicContact NH2-OE1 2.89Å; R81-E131 PolarHBondContact NH2-OE1 2.95Å; F127-E131 HydrophobicContact CD1-CG 4.43Å; F127-E131 HydrophobicContact CE1-CG 3.9Å; F127-E131 VanDerWaalsContact CE1-OE1 3.24Å; F127-E131 WeakPolarHBondContact CE1-OE1 3.48Å; F127-E131 HydrophobicContact CE2-CG 4.47Å; F127-E131 HydrophobicContact CZ-CG 3.91Å; F127-E131 WeakPolarHBondContact CZ-OE1 3.43Å; F127-E131 PolarHBondContact O-N 2.93Å; E128-E131 PolarHBondContact O-N 3.46Å; E128-E131 VanDerWaalsContact O-N 3.12Å; E131-Q134 PolarHBondContact O-N 3.27Å; E131-L135 WeakPolarHBondContact O-CG 3.49Å; E131-L135 PolarHBondContact O-N 2.89Å; E131-L135 VanDerWaalsContact O-N 3.12Å
132F95.6Very high93.5Very high132 Ų13275.7 Ų75.758%0.57937%0.366SS*.Hα-helixtrans-62-48.2174.7-76-69.1000112.1E128 D129 Q134 L135 E136E128-F132 HydrophobicContact CB-CE2 4.38Å; E128-F132 WeakPolarHBondContact O-CD2 3.42Å; E128-F132 PolarHBondContact O-N 3.2Å; D129-F132 PolarHBondContact O-N 3.48Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 2.75Å; F132-L135 PolarHBondContact O-N 2.91Å; F132-E136 PolarHBondContact O-N 3.4Å; F132-E136 VanDerWaalsContact O-N 3.08Å
133Q93.3Very high93.1Very high81 Ų8177.6 Ų77.638%0.37937%0.37SS..Hα-helixtrans-62.7-34.8178.8-71.3177.132.400112.4D129 L130 E136 R137D129-Q133 WeakPolarHBondContact O-CB 3.29Å; D129-Q133 VanDerWaalsContact O-CG 3.25Å; D129-Q133 WeakPolarHBondContact O-CG 3.43Å; D129-Q133 PolarHBondContact O-N 3.35Å; L130-Q133 PolarHBondContact O-N 2.91Å; Q133-E136 PolarHBondContact O-N 2.96Å; Q133-R137 WeakPolarHBondContact O-CG 3.35Å; Q133-R137 PolarHBondContact O-N 3.5Å
134Q94.3Very high92.7Very high32 Ų3282.7 Ų82.715%0.1539%0.394CS..Hα-helixtrans-63.8-46.1175.7-175-122-1100111.4E73 L77 L130 E131 F132 E136 R137 E138E73-Q134 HydrophobicContact CB-CG 4.15Å; L77-Q134 HydrophobicContact CD1-CB 3.76Å; L77-Q134 HydrophobicContact CD1-CG 3.4Å; L77-Q134 HydrophobicContact CG-CG 4.44Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 PolarHBondContact O-N 2.68Å; E131-Q134 PolarHBondContact O-N 3.27Å; F132-Q134 VanDerWaalsContact C-N 3.26Å; F132-Q134 PolarHBondContact O-N 2.75Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 2.72Å; Q134-R137 PolarHBondContact O-N 3.32Å; Q134-E138 WeakPolarHBondContact O-CB 3.34Å; Q134-E138 PolarHBondContact O-N 2.6Å
135L93.8Very high92.4Very high102 Ų10285.2 Ų85.253%0.53440%0.399SS..Hα-helixtrans-62.1-39.5177.3-69.2172.2000112.3E131 F132 S139E131-L135 WeakPolarHBondContact O-CG 3.49Å; E131-L135 PolarHBondContact O-N 2.89Å; E131-L135 VanDerWaalsContact O-N 3.12Å; F132-L135 PolarHBondContact O-N 2.91Å; L135-S139 WeakPolarHBondContact O-CB 3.43Å; L135-S139 PolarHBondContact O-N 3.07Å
136E92.7Very high91.9Very high119 Ų11985.6 Ų85.656%0.55640%0.402SS*.Hα-helixtrans-64-42.5175.3-71-171.2157.200112.3F132 Q133 Q134 R140F132-E136 PolarHBondContact O-N 3.4Å; F132-E136 VanDerWaalsContact O-N 3.08Å; Q133-E136 PolarHBondContact O-N 2.96Å; Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 2.72Å; E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 3.49Å; E136-R140 VanDerWaalsContact O-N 3.1Å
137R90.6Very high91.6Very high100 Ų10085.8 Ų85.838%0.37740%0.403SS..Hα-helixtrans-68.2-45.5177.1-71.5-178.1-169.7103.68.4111.5E73 Q133 Q134 S139 R140 V141E73-R137 WeakPolarHBondContact OE1-CB 3.48Å; E73-R137 VanDerWaalsContact OE1-CD 3.26Å; E73-R137 WeakPolarHBondContact OE1-CD 3.3Å; Q133-R137 WeakPolarHBondContact O-CG 3.35Å; Q133-R137 PolarHBondContact O-N 3.5Å; Q134-R137 PolarHBondContact O-N 3.32Å; R137-S139 VanDerWaalsContact C-N 3.29Å; R137-S139 PolarHBondContact O-N 3.5Å; R137-R140 PolarHBondContact O-N 3.31Å; R137-R140 VanDerWaalsContact O-N 3.08Å; R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.02Å
138E89.4Confident91.2Very high46 Ų4687.4 Ų87.422%0.21542%0.418CS..Hα-helixtrans-58.4-42.8176.7-174.8166.4-149.300111R70 Q134 R140 V141 E142R70-E138 IonicContact CZ-OE1 3.62Å; R70-E138 IonicContact NE-OE1 3.49Å; R70-E138 PolarHBondContact NE-OE1 3.35Å; R70-E138 VanDerWaalsContact NE-OE1 3.13Å; R70-E138 IonicContact NH1-OE1 3.46Å; R70-E138 IonicContact NH2-OE1 3.86Å; R70-E138 PolarHBondContact NH2-OE1 3.16Å; Q134-E138 WeakPolarHBondContact O-CB 3.34Å; Q134-E138 PolarHBondContact O-N 2.6Å; E138-R140 PolarHBondContact O-N 3.12Å; E138-V141 PolarHBondContact O-N 2.94Å; E138-E142 WeakPolarHBondContact O-CB 3.37Å; E138-E142 PolarHBondContact O-N 3.03Å
139S87.7Confident90.9Very high76 Ų7683.5 Ų83.553%0.53140%0.403SS..Hα-helixtrans-61.5-42.4174.7-174.90000112.7L135 R137 E143L135-S139 WeakPolarHBondContact O-CB 3.43Å; L135-S139 PolarHBondContact O-N 3.07Å; R137-S139 VanDerWaalsContact C-N 3.29Å; R137-S139 PolarHBondContact O-N 3.5Å; S139-E143 WeakPolarHBondContact O-CB 3.48Å; S139-E143 PolarHBondContact O-N 2.84Å
140R89.4Confident90.6Very high159 Ų15983.4 Ų83.460%0.640%0.399SS*.Hα-helixtrans-66.8-45.4178.5-72.8169.2-173.6-100.33.1111.6E136 R137 E138 E142 E143 E144E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 3.49Å; E136-R140 VanDerWaalsContact O-N 3.1Å; R137-R140 PolarHBondContact O-N 3.31Å; R137-R140 VanDerWaalsContact O-N 3.08Å; E138-R140 PolarHBondContact O-N 3.12Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.07Å; R140-E143 PolarHBondContact O-N 3.32Å; R140-E144 WeakPolarHBondContact O-CG 3.45Å; R140-E144 PolarHBondContact O-N 2.98Å
141V88.3Confident90.4Very high15 Ų1582.3 Ų82.39%0.09140%0.399CS..Hα-helixtrans-65-38.2179.9173.60000110.8I66 R137 E138 E144 R145I66-V141 HydrophobicContact CB-CG1 4.17Å; I66-V141 HydrophobicContact CG1-CG1 3.85Å; I66-V141 HydrophobicContact CG2-CG1 3.63Å; R137-V141 WeakPolarHBondContact O-CG2 3.36Å; R137-V141 PolarHBondContact O-N 3.02Å; E138-V141 PolarHBondContact O-N 2.94Å; V141-E144 PolarHBondContact O-N 3.2Å; V141-R145 VanDerWaalsContact O-CB 3.26Å; V141-R145 WeakPolarHBondContact O-CB 3.46Å; V141-R145 PolarHBondContact O-N 2.86Å
142E87.8Confident90.3Very high68 Ų6880.9 Ų80.932%0.31839%0.394SS..Hα-helixtrans-68.6-39175.4-167.865-13000112.1E138 R140 R145 E146E138-E142 WeakPolarHBondContact O-CB 3.37Å; E138-E142 PolarHBondContact O-N 3.03Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E142 PolarHBondContact O-N 3.07Å; E142-R145 WeakPolarHBondContact O-CB 3.44Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 WeakPolarHBondContact OE1-CD 3.42Å; E142-R145 IonicContact OE1-CZ 3.58Å; E142-R145 IonicContact OE1-NH1 2.79Å; E142-R145 PolarHBondContact OE1-NH1 3.06Å; E142-E146 WeakPolarHBondContact O-CB 3.45Å; E142-E146 PolarHBondContact O-N 2.86Å
143E87.1Confident90.1Very high117 Ų11779.1 Ų79.155%0.54739%0.39SS..Hα-helixtrans-62.3-46.3172.9-175.2-178.6-178.800111.4S139 R140 R145 E146 L147S139-E143 WeakPolarHBondContact O-CB 3.48Å; S139-E143 PolarHBondContact O-N 2.84Å; R140-E143 PolarHBondContact O-N 3.32Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 2.83Å; E143-E146 PolarHBondContact O-N 3.32Å; E143-L147 HydrophobicContact CG-CD1 4.04Å; E143-L147 WeakPolarHBondContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CG 3.5Å; E143-L147 PolarHBondContact O-N 3.39Å
144E86.2Confident90.1Very high136 Ų13682.6 Ų82.664%0.63640%0.399SS*.Hα-helixtrans-62.6-40.9176.3-73.8-175.3-175.400112R140 V141 L147 A148R140-E144 WeakPolarHBondContact O-CG 3.45Å; R140-E144 PolarHBondContact O-N 2.98Å; V141-E144 PolarHBondContact O-N 3.2Å; E144-L147 PolarHBondContact O-N 3.4Å; E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 2.77Å
145R89.4Confident90.1Very high95 Ų9583.5 Ų83.536%0.35841%0.409SS..Hα-helixtrans-56.3-50.1173-179.9179.5172.8-108-4.1111.1I66 V141 E142 E143 G149I66-R145 HydrophobicContact CD1-CB 3.41Å; I66-R145 VanDerWaalsContact CD1-CB 3.41Å; I66-R145 HydrophobicContact CD1-CG 3.43Å; I66-R145 VanDerWaalsContact CD1-CG 3.43Å; V141-R145 VanDerWaalsContact O-CB 3.26Å; V141-R145 WeakPolarHBondContact O-CB 3.46Å; V141-R145 PolarHBondContact O-N 2.86Å; E142-R145 WeakPolarHBondContact O-CB 3.44Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 WeakPolarHBondContact OE1-CD 3.42Å; E142-R145 IonicContact OE1-CZ 3.58Å; E142-R145 IonicContact OE1-NH1 2.79Å; E142-R145 PolarHBondContact OE1-NH1 3.06Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 2.83Å; R145-G149 VanDerWaalsContact O-CA 3.32Å; R145-G149 WeakPolarHBondContact O-CA 3.48Å; R145-G149 PolarHBondContact O-N 2.9Å
146E87.4Confident90.2Very high111 Ų11181 Ų8152%0.51939%0.394SS..Hα-helixtrans-64-48.7-178.3-174.8175.2-179.900110.5E142 E143 Q150E142-E146 WeakPolarHBondContact O-CB 3.45Å; E142-E146 PolarHBondContact O-N 2.86Å; E143-E146 PolarHBondContact O-N 3.32Å; E146-Q150 HydrophobicContact CG-CG 4.26Å; E146-Q150 WeakPolarHBondContact O-CB 3.39Å; E146-Q150 WeakPolarHBondContact O-CG 3.13Å; E146-Q150 PolarHBondContact O-N 3.34Å; E146-Q150 PolarHBondContact OE1-NE2 3.2Å
147L88.9Confident90.3Very high108 Ų10877.4 Ų77.457%0.56539%0.385SS*.Hα-helixtrans-63.8-49.2-179-70.2173.9000112.6E143 E144 G151E143-L147 HydrophobicContact CG-CD1 4.04Å; E143-L147 WeakPolarHBondContact O-CB 3.31Å; E143-L147 WeakPolarHBondContact O-CG 3.5Å; E143-L147 PolarHBondContact O-N 3.39Å; E144-L147 PolarHBondContact O-N 3.4Å; L147-G151 PolarHBondContact O-N 3.41Å
148A89.8Confident90.5Very high45 Ų4577.8 Ų77.837%0.37239%0.391SS..Hα-helixtrans-68.9-43.9179.700000111.4L62 E144 G151 L152L62-A148 HydrophobicContact CD1-CB 4.38Å; L62-A148 HydrophobicContact CD2-CB 3.81Å; E144-A148 WeakPolarHBondContact O-CB 3.47Å; E144-A148 PolarHBondContact O-N 2.77Å; A148-G151 PolarHBondContact O-N 2.89Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.37Å
149G89.6Confident90.8Very high10 Ų1077.5 Ų77.510%0.10339%0.391CS..Hα-helixtrans-62.2-47.2178.400000112.5R145 G151 L152 L153R145-G149 VanDerWaalsContact O-CA 3.32Å; R145-G149 WeakPolarHBondContact O-CA 3.48Å; R145-G149 PolarHBondContact O-N 2.9Å; G149-G151 VanDerWaalsContact C-N 3.28Å; G149-G151 PolarHBondContact O-N 3.2Å; G149-L152 PolarHBondContact O-N 2.96Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 WeakPolarHBondContact O-CG 3.37Å; G149-L153 PolarHBondContact O-N 2.9Å
150Q90.4Very high91.2Very high87 Ų8777.7 Ų77.741%0.40739%0.385SS..Hα-helixtrans-62.1-35.6175.2-74.5179.914.800112.4E146 R154E146-Q150 HydrophobicContact CG-CG 4.26Å; E146-Q150 WeakPolarHBondContact O-CB 3.39Å; E146-Q150 WeakPolarHBondContact O-CG 3.13Å; E146-Q150 PolarHBondContact O-N 3.34Å; E146-Q150 PolarHBondContact OE1-NE2 3.2Å; Q150-R154 WeakPolarHBondContact O-CB 3.31Å; Q150-R154 VanDerWaalsContact O-CG 3.29Å; Q150-R154 WeakPolarHBondContact O-CG 3.48Å; Q150-R154 PolarHBondContact O-N 3.48Å; Q150-R154 PolarHBondContact O-NE 3.36Å; Q150-R154 VanDerWaalsContact O-NE 3.14Å
151G90.9Very high91.6Very high23 Ų2377.5 Ų77.524%0.23739%0.385CS..Hα-helixtrans-61.3-51.4173.900000112L147 A148 G149 R154 S155L147-G151 PolarHBondContact O-N 3.41Å; A148-G151 PolarHBondContact O-N 2.89Å; G149-G151 VanDerWaalsContact C-N 3.28Å; G149-G151 PolarHBondContact O-N 3.2Å; G151-R154 PolarHBondContact O-N 3.38Å; G151-S155 PolarHBondContact O-N 3.05Å; G151-S155 VanDerWaalsContact O-N 3.13Å; G151-S155 PolarHBondContact O-OG 3.05Å
152L93.5Very high92Very high37 Ų3778.4 Ų78.419%0.19439%0.391CS..Hα-helixtrans-63.8-42.4179.4-68172.3000112.2L55 K58 L59 L62 A148 G149 S155 K156L55-L152 HydrophobicContact CD2-CD2 3.78Å; K58-L152 HydrophobicContact CB-CD1 4.14Å; K58-L152 HydrophobicContact CB-CD2 4.29Å; K58-L152 HydrophobicContact CD-CD2 4.37Å; L59-L152 HydrophobicContact CD1-CB 4.45Å; L59-L152 HydrophobicContact CD2-CB 3.69Å; L59-L152 HydrophobicContact CD2-CD1 3.94Å; L59-L152 HydrophobicContact CD2-CG 4.48Å; L59-L152 HydrophobicContact CG-CB 3.88Å; L59-L152 HydrophobicContact CG-CD1 4.1Å; L62-L152 HydrophobicContact CD2-CD1 4.33Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.37Å; G149-L152 PolarHBondContact O-N 2.96Å; L152-S155 PolarHBondContact O-N 3.31Å; L152-K156 WeakPolarHBondContact O-CB 3.19Å; L152-K156 PolarHBondContact O-N 3.28Å
153L92.1Very high92.4Very high95 Ų9575.4 Ų75.450%0.49738%0.377SS..Hα-helixtrans-63.6-40.6177.4-74.5170.9000112.4L59 G149 K156 A157L59-L153 HydrophobicContact CD1-CD2 3.77Å; L59-L153 HydrophobicContact CD1-CG 4.25Å; L59-L153 HydrophobicContact CD2-CD2 4.49Å; L59-L153 HydrophobicContact CD2-CG 4.18Å; G149-L153 WeakPolarHBondContact O-CB 3.33Å; G149-L153 WeakPolarHBondContact O-CG 3.37Å; G149-L153 PolarHBondContact O-N 2.9Å; L153-K156 PolarHBondContact O-N 3.48Å; L153-A157 WeakPolarHBondContact O-CB 3.43Å; L153-A157 PolarHBondContact O-N 3.01Å
154R93.3Very high92.9Very high153 Ų15372.6 Ų72.658%0.57737%0.374SS*.Hα-helixtrans-61.7-49174.9-80-178.6-71.1161-10111.7Q150 G151 K156 A157 E158Q150-R154 WeakPolarHBondContact O-CB 3.31Å; Q150-R154 VanDerWaalsContact O-CG 3.29Å; Q150-R154 WeakPolarHBondContact O-CG 3.48Å; Q150-R154 PolarHBondContact O-N 3.48Å; Q150-R154 PolarHBondContact O-NE 3.36Å; Q150-R154 VanDerWaalsContact O-NE 3.14Å; G151-R154 PolarHBondContact O-N 3.38Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 3Å; R154-A157 PolarHBondContact O-N 3.44Å; R154-E158 WeakPolarHBondContact O-CG 3.44Å; R154-E158 PolarHBondContact O-N 3.12Å
155S94.7Very high93.4Very high52 Ų5273.1 Ų73.136%0.36438%0.375SS..Hα-helixtrans-61.5-39176.4-64.90000112.3G151 L152 E158 L159G151-S155 PolarHBondContact O-N 3.05Å; G151-S155 VanDerWaalsContact O-N 3.13Å; G151-S155 PolarHBondContact O-OG 3.05Å; L152-S155 PolarHBondContact O-N 3.31Å; S155-E158 PolarHBondContact O-N 3.39Å; S155-L159 PolarHBondContact O-N 3.46Å
156K95.5Very high93.7Very high48 Ų4871.1 Ų71.121%0.20937%0.367CS..Hα-helixtrans-62.3-44.5174.6-173.5-175.6175.5-169.30111.4V52 L55 L59 L152 L153 R154 E158 L159 L160V52-K156 HydrophobicContact CG1-CG 4.18Å; L55-K156 HydrophobicContact CB-CB 4.49Å; L55-K156 HydrophobicContact CD1-CB 4.12Å; L59-K156 HydrophobicContact CD1-CD 4.39Å; L152-K156 WeakPolarHBondContact O-CB 3.19Å; L152-K156 PolarHBondContact O-N 3.28Å; L153-K156 PolarHBondContact O-N 3.48Å; R154-K156 VanDerWaalsContact C-N 3.31Å; R154-K156 PolarHBondContact O-N 3Å; K156-E158 VanDerWaalsContact C-N 3.35Å; K156-E158 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 3.46Å; K156-L160 HydrophobicContact CG-CD1 4.22Å; K156-L160 WeakPolarHBondContact O-CG 3.48Å; K156-L160 PolarHBondContact O-N 3.21Å
157A94.4Very high94.2Very high44 Ų4471.3 Ų71.336%0.36437%0.366SS..Hα-helixtrans-65.2-36.3178.100000112.7L153 R154 R161L153-A157 WeakPolarHBondContact O-CB 3.43Å; L153-A157 PolarHBondContact O-N 3.01Å; R154-A157 PolarHBondContact O-N 3.44Å; A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 3.28Å; A157-R161 PolarHBondContact O-NE 2.87Å
158E95.1Very high94.6Very high108 Ų10872.3 Ų72.351%0.50537%0.368SS..Hα-helixtrans-62-48.6172.3-73.8167.1-17500111.9R154 S155 K156 L160 R161 S162R154-E158 WeakPolarHBondContact O-CG 3.44Å; R154-E158 PolarHBondContact O-N 3.12Å; S155-E158 PolarHBondContact O-N 3.39Å; K156-E158 VanDerWaalsContact C-N 3.35Å; K156-E158 PolarHBondContact O-N 3.23Å; E158-L160 PolarHBondContact O-N 3.38Å; E158-R161 VanDerWaalsContact CG-NH2 3.31Å; E158-R161 PolarHBondContact O-N 2.94Å; E158-S162 WeakPolarHBondContact O-CB 3.3Å; E158-S162 PolarHBondContact O-N 3.44Å
159L96.1Very high94.9Very high40 Ų4076.1 Ų76.121%0.20937%0.372CS..Hα-helixtrans-62.9-40.7176.6-71.4177.2000112.1E48 A51 V52 L55 S155 K156 R161 S162 I163E48-L159 HydrophobicContact CG-CD2 4.36Å; A51-L159 HydrophobicContact CB-CD1 3.69Å; V52-L159 HydrophobicContact CG2-CB 3.52Å; V52-L159 HydrophobicContact CG2-CD1 4.05Å; V52-L159 HydrophobicContact CG2-CG 4.46Å; L55-L159 HydrophobicContact CD1-CD1 3.72Å; S155-L159 PolarHBondContact O-N 3.46Å; K156-L159 PolarHBondContact O-N 3.46Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.34Å; L159-S162 CarbonylContact O-C 3.59Å; L159-S162 WeakPolarHBondContact O-CA 3.49Å; L159-S162 VanDerWaalsContact O-CB 3.23Å; L159-S162 WeakPolarHBondContact O-CB 3.49Å; L159-S162 PolarHBondContact O-N 2.74Å; L159-S162 VanDerWaalsContact O-N 3.13Å; L159-I163 WeakPolarHBondContact O-CB 3.49Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 2.89Å
160L95.6Very high95.3Very high80 Ų8076.3 Ų76.342%0.41937%0.371SS..Hα-helixtrans-62.5-39176.4-74.1172.1000112.5V52 K156 E158 S162 I163 A164V52-L160 HydrophobicContact CG1-CD2 4.23Å; V52-L160 HydrophobicContact CG2-CD2 4.31Å; V52-L160 HydrophobicContact CG2-CG 4.36Å; K156-L160 HydrophobicContact CG-CD1 4.22Å; K156-L160 WeakPolarHBondContact O-CG 3.48Å; K156-L160 PolarHBondContact O-N 3.21Å; E158-L160 PolarHBondContact O-N 3.38Å; L160-S162 VanDerWaalsContact C-N 3.35Å; L160-I163 PolarHBondContact O-N 2.92Å; L160-A164 PolarHBondContact O-N 3.08Å
161R96.8Very high95.6Very high156 Ų15675 Ų7559%0.58938%0.375SS*.Hα-helixtrans-64.5-40.5172.5-73.6-178.5-69.1-166.92.2111.7A157 E158 L159 A164 K165A157-R161 WeakPolarHBondContact O-CG 3.37Å; A157-R161 PolarHBondContact O-N 3.28Å; A157-R161 PolarHBondContact O-NE 2.87Å; E158-R161 VanDerWaalsContact CG-NH2 3.31Å; E158-R161 PolarHBondContact O-N 2.94Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.34Å; R161-A164 PolarHBondContact O-N 2.67Å; R161-K165 WeakPolarHBondContact O-CG 3.4Å; R161-K165 PolarHBondContact O-N 3.46Å; R161-K165 VanDerWaalsContact O-N 3.14Å
162S96.8Very high95.9Very high33 Ų3378 Ų7823%0.23139%0.385CS..Hα-helixtrans-61.3-45.4175.9-155.40000111.8E48 E158 L159 L160 A164 K165 R166E48-S162 VanDerWaalsContact CD-OG 3.31Å; E48-S162 WeakPolarHBondContact OE1-CB 3.35Å; E48-S162 PolarHBondContact OE1-OG 3.4Å; E48-S162 PolarHBondContact OE2-OG 3.44Å; E158-S162 WeakPolarHBondContact O-CB 3.3Å; E158-S162 PolarHBondContact O-N 3.44Å; L159-S162 CarbonylContact O-C 3.59Å; L159-S162 WeakPolarHBondContact O-CA 3.49Å; L159-S162 VanDerWaalsContact O-CB 3.23Å; L159-S162 WeakPolarHBondContact O-CB 3.49Å; L159-S162 PolarHBondContact O-N 2.74Å; L159-S162 VanDerWaalsContact O-N 3.13Å; L160-S162 VanDerWaalsContact C-N 3.35Å; S162-A164 PolarHBondContact O-N 2.77Å; S162-K165 PolarHBondContact O-N 2.83Å; S162-R166 PolarHBondContact O-N 3.07Å; S162-R166 PolarHBondContact O-NH1 3.06Å; S162-R166 PolarHBondContact OG-NH1 2.97Å
163I97.3Very high96Very high5 Ų576.5 Ų76.53%0.02638%0.377CS..Hα-helixtrans-60.4-45.4175.4-76.1167.7000111.1L45 E48 V52 L159 L160 K165 R166 K167L45-I163 HydrophobicContact CD1-CB 4.19Å; L45-I163 HydrophobicContact CD1-CG1 4.16Å; L45-I163 HydrophobicContact CD1-CG2 3.75Å; E48-I163 HydrophobicContact CB-CD1 4.09Å; E48-I163 HydrophobicContact CB-CG1 3.7Å; E48-I163 PolarHBondContact OE2-N 2.98Å; V52-I163 HydrophobicContact CG2-CD1 3.7Å; L159-I163 WeakPolarHBondContact O-CB 3.49Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 2.89Å; L160-I163 PolarHBondContact O-N 2.92Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.47Å; I163-R166 PolarHBondContact O-N 3.02Å; I163-K167 HydrophobicContact CG2-CD 4.24Å; I163-K167 WeakPolarHBondContact O-CG 3.2Å; I163-K167 PolarHBondContact O-N 3.33Å
164A97.3Very high96.1Very high58 Ų5875 Ų7548%0.47937%0.37SS..Hα-helixtrans-59.4-46.2178.100000111.5L160 R161 S162 R166 K167 E168L160-A164 PolarHBondContact O-N 3.08Å; R161-A164 PolarHBondContact O-N 2.67Å; S162-A164 PolarHBondContact O-N 2.77Å; A164-R166 PolarHBondContact O-N 2.93Å; A164-K167 PolarHBondContact O-N 3.43Å; A164-E168 PolarHBondContact O-N 3.04Å
165K96.6Very high96.3Very high148 Ų14871.5 Ų71.564%0.64337%0.368SS*.Hα-helixtrans-61.3-40.4176-70.1177.6179.6-175.60112.7R161 S162 I163 E168 R169R161-K165 WeakPolarHBondContact O-CG 3.4Å; R161-K165 PolarHBondContact O-N 3.46Å; R161-K165 VanDerWaalsContact O-N 3.14Å; S162-K165 PolarHBondContact O-N 2.83Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 3.47Å; K165-E168 PolarHBondContact O-N 2.94Å; K165-R169 PolarHBondContact O-N 2.92Å
166R95.3Very high96.3Very high52 Ų5273 Ų7320%0.19637%0.37CS..Hα-helixtrans-67.1-39.4176.2-78.1-175.3-176.671-12.4112.8L45 E48 S162 I163 A164 E168 R169 L170L45-R166 HydrophobicContact CD1-CB 4.3Å; E48-R166 IonicContact OE1-CZ 2.97Å; E48-R166 IonicContact OE1-NH1 2.65Å; E48-R166 PolarHBondContact OE1-NH1 3.34Å; E48-R166 IonicContact OE1-NH2 3.08Å; E48-R166 PolarHBondContact OE1-NH2 2.89Å; E48-R166 IonicContact OE2-CZ 3.94Å; E48-R166 IonicContact OE2-NE 3.04Å; E48-R166 IonicContact OE2-NH1 2.64Å; E48-R166 PolarHBondContact OE2-NH1 2.78Å; E48-R166 IonicContact OE2-NH2 3.59Å; S162-R166 PolarHBondContact O-N 3.07Å; S162-R166 PolarHBondContact O-NH1 3.06Å; S162-R166 PolarHBondContact OG-NH1 2.97Å; I163-R166 PolarHBondContact O-N 3.02Å; A164-R166 PolarHBondContact O-N 2.93Å; R166-E168 VanDerWaalsContact C-N 3.3Å; R166-E168 PolarHBondContact O-N 3.01Å; R166-R169 PolarHBondContact O-N 3.48Å; R166-L170 WeakPolarHBondContact O-CG 3.34Å; R166-L170 PolarHBondContact O-N 2.79Å
167K97.2Very high96.3Very high116 Ų11671.1 Ų71.150%0.50436%0.363SS..Hα-helixtrans-61.1-41.2174.1-74.2179.5177.1-179.60111.4L45 I163 A164 L170 A171L45-K167 HydrophobicContact CD1-CG 4.09Å; L45-K167 HydrophobicContact CD2-CG 4.08Å; I163-K167 HydrophobicContact CG2-CD 4.24Å; I163-K167 WeakPolarHBondContact O-CG 3.2Å; I163-K167 PolarHBondContact O-N 3.33Å; A164-K167 PolarHBondContact O-N 3.43Å; K167-L170 PolarHBondContact O-N 3.16Å; K167-A171 PolarHBondContact O-N 2.85Å
168E97.4Very high96.2Very high128 Ų12870.3 Ų70.360%0.59836%0.359SS*.Hα-helixtrans-62.4-46.4173.6-175.5177.7-169.200111.7A164 K165 R166 L170 A171 I172A164-E168 PolarHBondContact O-N 3.04Å; K165-E168 PolarHBondContact O-N 2.94Å; R166-E168 VanDerWaalsContact C-N 3.3Å; R166-E168 PolarHBondContact O-N 3.01Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 2.87Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 2.91Å; E168-A171 VanDerWaalsContact O-N 3.13Å; E168-I172 HydrophobicContact CG-CD1 4.35Å; E168-I172 WeakPolarHBondContact O-CG1 3.31Å; E168-I172 PolarHBondContact O-N 2.93Å
169R96.7Very high96.3Very high125 Ų12571.4 Ų71.447%0.47236%0.364SS..Hα-helixtrans-59-42.2175.6-174.9171.8-177.4172.89112.5E41 K165 R166 A171 I172 L173E41-R169 HydrophobicContact CG-CG 4.42Å; E41-R169 VanDerWaalsContact OE1-CD 3.3Å; E41-R169 WeakPolarHBondContact OE1-CD 3.37Å; E41-R169 IonicContact OE1-CZ 3.74Å; E41-R169 IonicContact OE1-NE 3.26Å; E41-R169 PolarHBondContact OE1-NE 2.86Å; E41-R169 IonicContact OE1-NH1 3.13Å; E41-R169 PolarHBondContact OE1-NH1 2.79Å; K165-R169 PolarHBondContact O-N 2.92Å; R166-R169 PolarHBondContact O-N 3.48Å; R169-A171 VanDerWaalsContact C-N 3.34Å; R169-A171 PolarHBondContact O-N 3.43Å; R169-I172 PolarHBondContact O-N 3.26Å; R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 WeakPolarHBondContact O-CG 3.38Å; R169-L173 PolarHBondContact O-N 3.36Å
170L97.4Very high96.1Very high15 Ų1571.4 Ų71.48%0.07936%0.364CS..Hα-helixtrans-61.7-41.4175.2-78170.2000112R38 E41 R42 L45 R166 K167 E168 I172 L173 D174R38-L170 HydrophobicContact CB-CD2 4.43Å; E41-L170 HydrophobicContact CB-CD2 3.69Å; E41-L170 HydrophobicContact CB-CG 4.09Å; R42-L170 HydrophobicContact CG-CD1 3.99Å; R42-L170 HydrophobicContact CG-CD2 3.89Å; L45-L170 HydrophobicContact CD2-CD1 3.67Å; R166-L170 WeakPolarHBondContact O-CG 3.34Å; R166-L170 PolarHBondContact O-N 2.79Å; K167-L170 PolarHBondContact O-N 3.16Å; E168-L170 VanDerWaalsContact C-N 3.32Å; E168-L170 PolarHBondContact O-N 2.87Å; L170-I172 VanDerWaalsContact C-N 3.32Å; L170-I172 PolarHBondContact O-N 3.4Å; L170-L173 PolarHBondContact O-N 2.69Å; L170-D174 WeakPolarHBondContact O-CB 3.31Å; L170-D174 PolarHBondContact O-N 3.1Å
171A97.6Very high96Very high58 Ų5872.9 Ų72.948%0.47936%0.364SS..Hα-helixtrans-62.9-39.4176.100000112K167 E168 R169 D174 S175K167-A171 PolarHBondContact O-N 2.85Å; E168-A171 WeakPolarHBondContact O-CB 3.28Å; E168-A171 PolarHBondContact O-N 2.91Å; E168-A171 VanDerWaalsContact O-N 3.13Å; R169-A171 VanDerWaalsContact C-N 3.34Å; R169-A171 PolarHBondContact O-N 3.43Å; A171-D174 PolarHBondContact O-N 3.41Å; A171-S175 PolarHBondContact O-N 3.23Å
172I97.1Very high96Very high87 Ų8768.3 Ų68.345%0.44636%0.359SS..Hα-helixtrans-63-48.6174.7-65.7166.2000110.5E168 R169 L170 D174 S175 Q176E168-I172 HydrophobicContact CG-CD1 4.35Å; E168-I172 WeakPolarHBondContact O-CG1 3.31Å; E168-I172 PolarHBondContact O-N 2.93Å; R169-I172 PolarHBondContact O-N 3.26Å; L170-I172 VanDerWaalsContact C-N 3.32Å; L170-I172 PolarHBondContact O-N 3.4Å; I172-D174 VanDerWaalsContact C-N 3.3Å; I172-D174 PolarHBondContact O-N 2.98Å; I172-S175 WeakPolarHBondContact O-CB 3.43Å; I172-S175 PolarHBondContact O-N 3.03Å; I172-Q176 HydrophobicContact CG2-CG 4.48Å; I172-Q176 WeakPolarHBondContact O-CG 3.39Å; I172-Q176 PolarHBondContact O-N 3.22Å
173L95.6Very high95.9Very high5 Ų572.2 Ų72.23%0.02637%0.374CS..Hα-helixtrans-61.7-37.8177.6-70.3170.6000112L34 E37 R38 E41 R169 L170 Q176 A177L34-L173 HydrophobicContact CD2-CD2 4Å; E37-L173 HydrophobicContact CB-CD1 4.31Å; E37-L173 HydrophobicContact CB-CD2 4.39Å; E37-L173 WeakPolarHBondContact OE2-CD2 3.32Å; R38-L173 HydrophobicContact CG-CB 3.68Å; R38-L173 HydrophobicContact CG-CD1 4.05Å; R38-L173 HydrophobicContact CG-CG 4.45Å; E41-L173 HydrophobicContact CG-CD1 4.19Å; R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 WeakPolarHBondContact O-CG 3.38Å; R169-L173 PolarHBondContact O-N 3.36Å; L170-L173 PolarHBondContact O-N 2.69Å; L173-Q176 PolarHBondContact O-N 2.75Å; L173-A177 WeakPolarHBondContact O-CB 3.23Å; L173-A177 PolarHBondContact O-N 2.81Å
174D95.1Very high95.8Very high65 Ų6573 Ų7335%0.34838%0.382SS..Hα-helixtrans-63.5-42.7175.3-75.3-14.7000111.5R38 R42 L170 A171 I172 G178R38-D174 IonicContact CZ-OD1 2.7Å; R38-D174 IonicContact NE-OD1 2.68Å; R38-D174 PolarHBondContact NE-OD1 3.4Å; R38-D174 IonicContact NH2-OD1 3Å; R38-D174 PolarHBondContact NH2-OD1 2.87Å; R42-D174 IonicContact NH2-OD1 3.74Å; L170-D174 WeakPolarHBondContact O-CB 3.31Å; L170-D174 PolarHBondContact O-N 3.1Å; A171-D174 PolarHBondContact O-N 3.41Å; I172-D174 VanDerWaalsContact C-N 3.3Å; I172-D174 PolarHBondContact O-N 2.98Å; D174-G178 PolarHBondContact O-N 3.08Å
175S96.4Very high95.8Very high79 Ų7974.2 Ų74.255%0.55238%0.383SS*.Hα-helixtrans-64.1-46.6175.3-174.30000111.8A171 I172 A177 G178 Q179A171-S175 PolarHBondContact O-N 3.23Å; I172-S175 WeakPolarHBondContact O-CB 3.43Å; I172-S175 PolarHBondContact O-N 3.03Å; S175-A177 VanDerWaalsContact C-N 3.35Å; S175-A177 PolarHBondContact O-N 3.03Å; S175-G178 WeakPolarHBondContact O-CA 3.49Å; S175-G178 PolarHBondContact O-N 2.94Å; S175-G178 VanDerWaalsContact O-N 3.11Å; S175-Q179 PolarHBondContact O-N 2.98Å
176Q95.6Very high95.8Very high83 Ų8373.6 Ų73.639%0.38838%0.382SS..Hα-helixtrans-59.5-45.8176.9-74.3176.9-23.800111.3L34 I172 L173 G178 Q179 I180L34-Q176 HydrophobicContact CD1-CB 4.32Å; I172-Q176 HydrophobicContact CG2-CG 4.48Å; I172-Q176 WeakPolarHBondContact O-CG 3.39Å; I172-Q176 PolarHBondContact O-N 3.22Å; L173-Q176 PolarHBondContact O-N 2.75Å; Q176-G178 VanDerWaalsContact C-N 3.26Å; Q176-G178 PolarHBondContact O-N 2.7Å; Q176-Q179 PolarHBondContact O-N 3.49Å; Q176-Q179 VanDerWaalsContact O-N 3.15Å; Q176-I180 WeakPolarHBondContact O-CG1 3.35Å; Q176-I180 PolarHBondContact O-N 3.43Å
177A94.4Very high95.9Very high9 Ų974.9 Ų74.97%0.07439%0.391CS..Hα-helixtrans-62.5-34.8176.300000112L34 L173 S175 R181L34-A177 HydrophobicContact CD1-CB 4.06Å; L173-A177 WeakPolarHBondContact O-CB 3.23Å; L173-A177 PolarHBondContact O-N 2.81Å; S175-A177 VanDerWaalsContact C-N 3.35Å; S175-A177 PolarHBondContact O-N 3.03Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 VanDerWaalsContact O-CG 3.29Å; A177-R181 WeakPolarHBondContact O-CG 3.31Å; A177-R181 VanDerWaalsContact O-CZ 3.26Å; A177-R181 PolarHBondContact O-N 2.74Å; A177-R181 PolarHBondContact O-NH1 2.89Å; A177-R181 VanDerWaalsContact O-NH1 3.08Å
178G93.9Very high95.8Very high27 Ų2771.9 Ų71.928%0.27838%0.384SS..Hα-helixtrans-63.3-45.7172.200000112.8D174 S175 Q176 R181 A182D174-G178 PolarHBondContact O-N 3.08Å; S175-G178 WeakPolarHBondContact O-CA 3.49Å; S175-G178 PolarHBondContact O-N 2.94Å; S175-G178 VanDerWaalsContact O-N 3.11Å; Q176-G178 VanDerWaalsContact C-N 3.26Å; Q176-G178 PolarHBondContact O-N 2.7Å; G178-R181 PolarHBondContact O-N 3.35Å; G178-A182 PolarHBondContact O-N 3.33Å
179Q95.9Very high95.8Very high131 Ų13170.7 Ų70.761%0.61238%0.379SS*.Hα-helixtrans-65.3-46.4-179.4-171.7174.71.600112.3S175 Q176 R181 A182 Q183S175-Q179 PolarHBondContact O-N 2.98Å; Q176-Q179 PolarHBondContact O-N 3.49Å; Q176-Q179 VanDerWaalsContact O-N 3.15Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.89Å; Q179-A182 PolarHBondContact O-N 2.95Å; Q179-Q183 WeakPolarHBondContact O-CB 3.26Å; Q179-Q183 PolarHBondContact O-N 3.1Å
180I92.7Very high95.9Very high39 Ų3971 Ų7120%0.238%0.379CS..Hα-helixtrans-60.9-43177.2-68.1176.7000110.7E30 L34 Q176 A182 Q183 A184E30-I180 HydrophobicContact CB-CD1 4.35Å; E30-I180 HydrophobicContact CB-CG2 4.22Å; E30-I180 VanDerWaalsContact OE2-CG2 3.23Å; E30-I180 WeakPolarHBondContact OE2-CG2 3.23Å; L34-I180 HydrophobicContact CD1-CD1 3.54Å; Q176-I180 WeakPolarHBondContact O-CG1 3.35Å; Q176-I180 PolarHBondContact O-N 3.43Å; I180-A182 PolarHBondContact O-N 3.27Å; I180-Q183 PolarHBondContact O-N 3.06Å; I180-A184 WeakPolarHBondContact O-CB 3.42Å; I180-A184 PolarHBondContact O-N 3.36Å
181R93.8Very high95.9Very high111 Ų11170.6 Ų70.642%0.41938%0.377SS..Hα-helixtrans-59.9-44.9175.3-76.9-170.4-57.1-87.93.5112.1A177 G178 Q179 V185A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 VanDerWaalsContact O-CG 3.29Å; A177-R181 WeakPolarHBondContact O-CG 3.31Å; A177-R181 VanDerWaalsContact O-CZ 3.26Å; A177-R181 PolarHBondContact O-N 2.74Å; A177-R181 PolarHBondContact O-NH1 2.89Å; A177-R181 VanDerWaalsContact O-NH1 3.08Å; G178-R181 PolarHBondContact O-N 3.35Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.89Å; R181-V185 WeakPolarHBondContact O-CG2 3.4Å; R181-V185 PolarHBondContact O-N 3.47Å; R181-V185 VanDerWaalsContact O-N 3.09Å
182A95.8Very high95.9Very high60 Ų6069.3 Ų69.350%0.49637%0.367SS..Hα-helixtrans-64.1-42.8178.600000111.7G178 Q179 I180 V185 Q186G178-A182 PolarHBondContact O-N 3.33Å; Q179-A182 PolarHBondContact O-N 2.95Å; I180-A182 PolarHBondContact O-N 3.27Å; A182-V185 PolarHBondContact O-N 3.03Å; A182-Q186 WeakPolarHBondContact O-CB 3.17Å; A182-Q186 PolarHBondContact O-N 3.14Å
183Q95.6Very high95.9Very high115 Ų11571.6 Ų71.654%0.53737%0.37SS..Hα-helixtrans-63.6-45.2177.6-176.2175.4-21.900111.8Q179 I180 V185 Q186 E187Q179-Q183 WeakPolarHBondContact O-CB 3.26Å; Q179-Q183 PolarHBondContact O-N 3.1Å; I180-Q183 PolarHBondContact O-N 3.06Å; Q183-V185 VanDerWaalsContact C-N 3.34Å; Q183-V185 PolarHBondContact O-N 3.13Å; Q183-Q186 PolarHBondContact O-N 3.18Å; Q183-E187 WeakPolarHBondContact O-CB 3.2Å; Q183-E187 PolarHBondContact O-N 2.87Å
184A95.1Very high96Very high23 Ų2373.9 Ų73.919%0.1938%0.382CS..Hα-helixtrans-61.4-40.7177.500000112.3A27 I180 S188A27-A184 HydrophobicContact CB-CB 3.54Å; I180-A184 WeakPolarHBondContact O-CB 3.42Å; I180-A184 PolarHBondContact O-N 3.36Å; A184-S188 WeakPolarHBondContact O-CB 3.14Å; A184-S188 PolarHBondContact O-N 3.39Å
185V96.5Very high96.1Very high83 Ų8372.5 Ų72.550%0.50337%0.373SS..Hα-helixtrans-63.6-47.4174.5170.80000110.6R181 A182 Q183 E187 S188 E189R181-V185 WeakPolarHBondContact O-CG2 3.4Å; R181-V185 PolarHBondContact O-N 3.47Å; R181-V185 VanDerWaalsContact O-N 3.09Å; A182-V185 PolarHBondContact O-N 3.03Å; Q183-V185 VanDerWaalsContact C-N 3.34Å; Q183-V185 PolarHBondContact O-N 3.13Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.38Å; V185-S188 PolarHBondContact O-N 3.43Å; V185-E189 HydrophobicContact CG1-CG 4.43Å; V185-E189 WeakPolarHBondContact O-CB 3.39Å; V185-E189 WeakPolarHBondContact O-CG 3.37Å; V185-E189 PolarHBondContact O-N 2.71Å
186Q97.3Very high96.1Very high134 Ų13473 Ų7363%0.62637%0.37SS*.Hα-helixtrans-61.2-42-179.9-174-177.314.100112.4A182 Q183 R190A182-Q186 WeakPolarHBondContact O-CB 3.17Å; A182-Q186 PolarHBondContact O-N 3.14Å; Q183-Q186 PolarHBondContact O-N 3.18Å; Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 PolarHBondContact O-N 2.9Å
187E96.1Very high96.3Very high80 Ų8071.2 Ų71.237%0.37437%0.369SS..Hα-helixtrans-67.5-46.2177.7-176.5172.4-14900111.7S23 Q183 V185 E189 R190 L191S23-E187 PolarHBondContact OG-OE2 2.95Å; Q183-E187 WeakPolarHBondContact O-CB 3.2Å; Q183-E187 PolarHBondContact O-N 2.87Å; V185-E187 VanDerWaalsContact C-N 3.34Å; V185-E187 PolarHBondContact O-N 3.38Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.47Å; E187-R190 WeakPolarHBondContact O-CB 3.29Å; E187-R190 PolarHBondContact O-N 3.47Å; E187-R190 VanDerWaalsContact O-N 3.12Å; E187-L191 HydrophobicContact CG-CD1 4.01Å; E187-L191 HydrophobicContact CG-CG 4.38Å; E187-L191 WeakPolarHBondContact O-CG 3.24Å; E187-L191 PolarHBondContact O-N 3.46Å
188S96.4Very high96.4Very high52 Ų5271.6 Ų71.636%0.36437%0.371SS..Hα-helixtrans-57.9-45.9176.3178.80000111.7A184 V185 R190 L191 A192A184-S188 WeakPolarHBondContact O-CB 3.14Å; A184-S188 PolarHBondContact O-N 3.39Å; V185-S188 PolarHBondContact O-N 3.43Å; S188-R190 VanDerWaalsContact C-N 3.33Å; S188-R190 PolarHBondContact O-N 2.94Å; S188-L191 PolarHBondContact O-N 3.35Å; S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.14Å; S188-A192 PolarHBondContact O-N 3.36Å
189E97.6Very high96.5Very high104 Ų10473.6 Ų73.649%0.48638%0.375SS..Hα-helixtrans-62.6-38.9175.4-74.2-179.4177.900112.6V185 E187 R193V185-E189 HydrophobicContact CG1-CG 4.43Å; V185-E189 WeakPolarHBondContact O-CB 3.39Å; V185-E189 WeakPolarHBondContact O-CG 3.37Å; V185-E189 PolarHBondContact O-N 2.71Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 3.47Å; E189-R193 WeakPolarHBondContact O-CB 3.41Å; E189-R193 WeakPolarHBondContact O-CG 3.32Å; E189-R193 PolarHBondContact O-N 3.38Å; E189-R193 PolarHBondContact O-NE 3.28Å; E189-R193 IonicContact OE2-NH2 3.81Å
190R97.8Very high96.6Very high130 Ų13074.2 Ų74.249%0.49138%0.378SS..Hα-helixtrans-64.6-49.6176.8178.5-177.5170.8-81.5-11.7111.2Q186 E187 S188 A192 R193 D194Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 PolarHBondContact O-N 2.9Å; E187-R190 WeakPolarHBondContact O-CB 3.29Å; E187-R190 PolarHBondContact O-N 3.47Å; E187-R190 VanDerWaalsContact O-N 3.12Å; S188-R190 VanDerWaalsContact C-N 3.33Å; S188-R190 PolarHBondContact O-N 2.94Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.03Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 3.25Å; R190-D194 IonicContact CZ-OD2 3.39Å; R190-D194 IonicContact NH2-OD2 3.87Å; R190-D194 PolarHBondContact O-N 3.04Å
191L97.3Very high96.8Very high7 Ų777 Ų774%0.03739%0.393CS..Hα-helixtrans-63.3-39.2178.2-70.6173.5000111.5L16 Q19 L20 E187 S188 D194 K195L16-L191 HydrophobicContact CD2-CD2 4.17Å; Q19-L191 HydrophobicContact CB-CD1 4.3Å; Q19-L191 HydrophobicContact CB-CD2 4.29Å; L20-L191 HydrophobicContact CD1-CB 3.94Å; L20-L191 HydrophobicContact CD1-CD1 4.44Å; E187-L191 HydrophobicContact CG-CD1 4.01Å; E187-L191 HydrophobicContact CG-CG 4.38Å; E187-L191 WeakPolarHBondContact O-CG 3.24Å; E187-L191 PolarHBondContact O-N 3.46Å; S188-L191 PolarHBondContact O-N 3.35Å; L191-D194 PolarHBondContact O-N 3.1Å; L191-K195 WeakPolarHBondContact O-CB 3.29Å; L191-K195 PolarHBondContact O-N 2.98Å
192A97.3Very high97Very high32 Ų3272.2 Ų72.226%0.26438%0.375SS..Hα-helixtrans-63.1-41.7174.900000112.1S188 R190 K195 N196S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.14Å; S188-A192 PolarHBondContact O-N 3.36Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.03Å; A192-K195 PolarHBondContact O-N 2.94Å; A192-N196 WeakPolarHBondContact O-CB 3.37Å; A192-N196 PolarHBondContact O-N 3.43Å; A192-N196 PolarHBondContact O-ND2 2.9Å
193R97.9Very high97Very high135 Ų13573.9 Ų73.951%0.50937%0.373SS..Hα-helixtrans-61.3-47.3174-79.7-179.2-97.2112.5-4.7111.8E189 R190 K195 N196 A197E189-R193 WeakPolarHBondContact O-CB 3.41Å; E189-R193 WeakPolarHBondContact O-CG 3.32Å; E189-R193 PolarHBondContact O-N 3.38Å; E189-R193 PolarHBondContact O-NE 3.28Å; E189-R193 IonicContact OE2-NH2 3.81Å; R190-R193 WeakPolarHBondContact O-CB 3.39Å; R190-R193 PolarHBondContact O-N 3.25Å; R193-K195 VanDerWaalsContact C-N 3.35Å; R193-K195 PolarHBondContact O-N 3.33Å; R193-N196 PolarHBondContact O-N 3.45Å; R193-A197 PolarHBondContact O-N 2.93Å
194D97.3Very high97.1Very high53 Ų5374.2 Ų74.228%0.28337%0.373SS..Hα-helixtrans-64.3-38.9178.8-71.5-7.3000112L16 R190 L191 A197 S198L16-D194 HydrophobicContact CD1-CB 4.2Å; L16-D194 HydrophobicContact CD2-CB 4.08Å; R190-D194 IonicContact CZ-OD2 3.39Å; R190-D194 IonicContact NH2-OD2 3.87Å; R190-D194 PolarHBondContact O-N 3.04Å; L191-D194 PolarHBondContact O-N 3.1Å; D194-A197 PolarHBondContact O-N 3.3Å; D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 3.19Å; D194-S198 PolarHBondContact O-OG 2.82Å
195K97.3Very high97.1Very high36 Ų3674.2 Ų74.216%0.15737%0.369CS..Hα-helixtrans-62.2-48.4174.6-176.9-174.8178.8179.10110.7L16 E17 L191 A192 R193 A197 S198 L199L16-K195 HydrophobicContact CB-CB 4.18Å; L16-K195 HydrophobicContact CD1-CB 4.47Å; E17-K195 VanDerWaalsContact CD-NZ 3.31Å; E17-K195 IonicContact OE1-NZ 2.7Å; E17-K195 PolarHBondContact OE1-NZ 2.89Å; L191-K195 WeakPolarHBondContact O-CB 3.29Å; L191-K195 PolarHBondContact O-N 2.98Å; A192-K195 PolarHBondContact O-N 2.94Å; R193-K195 VanDerWaalsContact C-N 3.35Å; R193-K195 PolarHBondContact O-N 3.33Å; K195-A197 PolarHBondContact O-N 2.94Å; K195-S198 PolarHBondContact O-N 3.18Å; K195-L199 HydrophobicContact CG-CD1 4.17Å; K195-L199 WeakPolarHBondContact O-CB 3.37Å; K195-L199 WeakPolarHBondContact O-CG 3.42Å; K195-L199 PolarHBondContact O-N 3.41Å
196N97.6Very high97Very high89 Ų8974.3 Ų74.348%0.47636%0.363SS..Hα-helixtrans-63.1-41.6179.5-73-20.8000111.9A192 R193 L199 Q200A192-N196 WeakPolarHBondContact O-CB 3.37Å; A192-N196 PolarHBondContact O-N 3.43Å; A192-N196 PolarHBondContact O-ND2 2.9Å; R193-N196 PolarHBondContact O-N 3.45Å; N196-L199 PolarHBondContact O-N 3.24Å; N196-Q200 WeakPolarHBondContact O-CG 3.31Å; N196-Q200 PolarHBondContact O-N 2.96Å
197A97.9Very high96.9Very high46 Ų4673 Ų7338%0.3836%0.356SS..Hα-helixtrans-62.2-43.6174.600000112R193 D194 K195 L199 Q200 L201R193-A197 PolarHBondContact O-N 2.93Å; D194-A197 PolarHBondContact O-N 3.3Å; K195-A197 PolarHBondContact O-N 2.94Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.49Å; A197-Q200 PolarHBondContact O-N 3.39Å; A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 2.86Å
198S97.2Very high96.9Very high16 Ų1673.6 Ų73.611%0.11236%0.358CS..Hα-helixtrans-64.7-37.6176.7-58.60000112.2D194 K195 L201 L202D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 3.19Å; D194-S198 PolarHBondContact O-OG 2.82Å; K195-S198 PolarHBondContact O-N 3.18Å; S198-L201 PolarHBondContact O-N 2.85Å; S198-L202 WeakPolarHBondContact O-CB 3.47Å; S198-L202 PolarHBondContact O-N 2.85Å
199L97.4Very high96.7Very high70 Ų7072 Ų7237%0.36635%0.345SS..Hα-helixtrans-64.3-42.2174.2-80.3170.3000112.3V13 K195 N196 A197 L202 Q203V13-L199 HydrophobicContact CG1-CD2 3.8Å; V13-L199 HydrophobicContact CG1-CG 4.12Å; V13-L199 HydrophobicContact CG2-CD2 3.96Å; V13-L199 HydrophobicContact CG2-CG 3.96Å; K195-L199 HydrophobicContact CG-CD1 4.17Å; K195-L199 WeakPolarHBondContact O-CB 3.37Å; K195-L199 WeakPolarHBondContact O-CG 3.42Å; K195-L199 PolarHBondContact O-N 3.41Å; N196-L199 PolarHBondContact O-N 3.24Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 PolarHBondContact O-N 3.49Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.08Å; L199-Q203 WeakPolarHBondContact O-CB 3.35Å; L199-Q203 PolarHBondContact O-N 2.82Å
200Q97.6Very high96.5Very high144 Ų14470.1 Ų70.167%0.67334%0.341SS*.Hα-helixtrans-62.8-43.3175.6-72.7175.61.600111.7N196 A197 L202 Q203 K204N196-Q200 WeakPolarHBondContact O-CG 3.31Å; N196-Q200 PolarHBondContact O-N 2.96Å; A197-Q200 PolarHBondContact O-N 3.39Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-Q203 PolarHBondContact O-N 2.83Å; Q200-K204 PolarHBondContact O-N 3.31Å
201L97.2Very high96.3Very high96 Ų9667.7 Ų67.750%0.50334%0.34SS..Hα-helixtrans-63.1-41.7174.6-70.1174.4000111.8L9 A197 S198 Q203 K204 E205L9-L201 HydrophobicContact CD1-CB 4.04Å; L9-L201 HydrophobicContact CD2-CB 4.13Å; A197-L201 WeakPolarHBondContact O-CG 3.34Å; A197-L201 PolarHBondContact O-N 2.86Å; S198-L201 PolarHBondContact O-N 2.85Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; L201-Q203 PolarHBondContact O-N 3.1Å; L201-K204 PolarHBondContact O-N 3.3Å; L201-E205 PolarHBondContact O-N 2.98Å
202L97Very high96Very high11 Ų1170.9 Ų70.96%0.05836%0.357CS..Hα-helixtrans-60.4-43176.6177.160.5000111.1V6 L9 K10 S198 L199 Q200 E205 K206V6-L202 HydrophobicContact CB-CD1 4.42Å; V6-L202 HydrophobicContact CG1-CD1 3.96Å; V6-L202 WeakPolarHBondContact O-CD1 3.47Å; L9-L202 HydrophobicContact CB-CB 4.04Å; L9-L202 HydrophobicContact CB-CD1 3.89Å; L9-L202 HydrophobicContact CB-CG 4.48Å; L9-L202 HydrophobicContact CD1-CB 4.44Å; K10-L202 HydrophobicContact CG-CD1 3.96Å; K10-L202 HydrophobicContact CG-CD2 4.01Å; S198-L202 WeakPolarHBondContact O-CB 3.47Å; S198-L202 PolarHBondContact O-N 2.85Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.08Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; L202-E205 PolarHBondContact O-N 2.83Å; L202-K206 HydrophobicContact CD1-CG 4.44Å; L202-K206 HydrophobicContact CG-CD 4.41Å; L202-K206 WeakPolarHBondContact O-CB 3.44Å; L202-K206 VanDerWaalsContact O-CG 3.32Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 2.67Å
203Q96.4Very high95.7Very high96 Ų9672.3 Ų72.345%0.44936%0.358SS..Hα-helixtrans-62.4-45176.9-176.659.620.900111.4L199 Q200 L201 E205 K206 E207L199-Q203 WeakPolarHBondContact O-CB 3.35Å; L199-Q203 PolarHBondContact O-N 2.82Å; Q200-Q203 PolarHBondContact O-N 2.83Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; L201-Q203 PolarHBondContact O-N 3.1Å; Q203-E205 PolarHBondContact O-N 2.91Å; Q203-K206 WeakPolarHBondContact O-CB 3.41Å; Q203-K206 PolarHBondContact O-N 3.41Å; Q203-E207 PolarHBondContact NE2-OE1 3.47Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.07Å; Q203-E207 WeakPolarHBondContact O-CG 3.3Å; Q203-E207 PolarHBondContact O-N 3.09Å
204K96.8Very high95.3Very high122 Ų12273 Ų7353%0.5336%0.36SS..Hα-helixtrans-61.1-42176.7-171.1176.5-176.3175.40112.7Q200 L201 E207 K208Q200-K204 PolarHBondContact O-N 3.31Å; L201-K204 PolarHBondContact O-N 3.3Å; K204-E207 PolarHBondContact O-N 2.65Å; K204-K208 WeakPolarHBondContact O-CG 3.2Å; K204-K208 PolarHBondContact O-N 2.67Å; K204-K208 VanDerWaalsContact O-N 3.13Å
205E95.6Very high95Very high23 Ų2378.6 Ų78.611%0.10738%0.378CS..Hα-helixtrans-71-33.4176.3-70.1-60.9124.200112.5V2 H5 V6 L9 L201 L202 Q203 K208 L209V2-E205 WeakPolarHBondContact CG1-O 3.44Å; H5-E205 HydrophobicContact CB-CG 4.26Å; H5-E205 IonicContact ND1-OE2 3.74Å; V6-E205 HydrophobicContact CG2-CB 3.73Å; L9-E205 HydrophobicContact CD1-CG 4.05Å; L201-E205 PolarHBondContact O-N 2.98Å; L202-E205 PolarHBondContact O-N 2.83Å; Q203-E205 PolarHBondContact O-N 2.91Å; E205-K208 PolarHBondContact O-N 3.36Å; E205-K208 WeakPolarHBondContact OE1-CD 3.39Å; E205-K208 WeakPolarHBondContact OE1-CE 3.42Å; E205-K208 IonicContact OE1-NZ 2.69Å; E205-K208 PolarHBondContact OE1-NZ 2.56Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.13Å
206K94.5Very high94.5Very high85 Ų8579.8 Ų79.837%0.3738%0.382SS..Hα-helixtrans-62.9-44.5171.5-78.1177.2176.6-179.30111.8V6 L202 Q203 K208 L209 T210V6-K206 HydrophobicContact CG1-CG 4.45Å; V6-K206 HydrophobicContact CG2-CG 4.5Å; L202-K206 HydrophobicContact CD1-CG 4.44Å; L202-K206 HydrophobicContact CG-CD 4.41Å; L202-K206 WeakPolarHBondContact O-CB 3.44Å; L202-K206 VanDerWaalsContact O-CG 3.32Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 2.67Å; Q203-K206 WeakPolarHBondContact O-CB 3.41Å; Q203-K206 PolarHBondContact O-N 3.41Å; K206-K208 PolarHBondContact O-N 3.45Å; K206-L209 WeakPolarHBondContact O-CB 3.27Å; K206-L209 PolarHBondContact O-N 2.68Å; K206-L209 VanDerWaalsContact O-N 3.14Å; K206-T210 PolarHBondContact O-N 3.42Å; K206-T210 PolarHBondContact O-OG1 3.35Å; K206-T210 VanDerWaalsContact O-OG1 3.06Å
207E95.9Very high94.1Very high105 Ų10580.2 Ų80.249%0.49138%0.381SS..Hα-helixtrans-61.3-44176.7-73.6165.8-168.100111.7Q203 K204 L209 T210 V211Q203-E207 PolarHBondContact NE2-OE1 3.47Å; Q203-E207 VanDerWaalsContact NE2-OE1 3.07Å; Q203-E207 WeakPolarHBondContact O-CG 3.3Å; Q203-E207 PolarHBondContact O-N 3.09Å; K204-E207 PolarHBondContact O-N 2.65Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 3.27Å; E207-T210 PolarHBondContact O-N 3.24Å; E207-V211 WeakPolarHBondContact O-CG2 3.26Å; E207-V211 PolarHBondContact O-N 3.18Å
208K94.8Very high93.7Very high93 Ų9382.6 Ų82.640%0.40439%0.394SS..Hα-helixtrans-59-42.1172.4-71.6175.9-173.7174.30111.9V2 K204 E205 K206 V211 L212V2-K208 HydrophobicContact CG1-CB 4.43Å; K204-K208 WeakPolarHBondContact O-CG 3.2Å; K204-K208 PolarHBondContact O-N 2.67Å; K204-K208 VanDerWaalsContact O-N 3.13Å; E205-K208 PolarHBondContact O-N 3.36Å; E205-K208 WeakPolarHBondContact OE1-CD 3.39Å; E205-K208 WeakPolarHBondContact OE1-CE 3.42Å; E205-K208 IonicContact OE1-NZ 2.69Å; E205-K208 PolarHBondContact OE1-NZ 2.56Å; K206-K208 PolarHBondContact O-N 3.45Å; K208-V211 PolarHBondContact O-N 3.26Å; K208-L212 WeakPolarHBondContact O-CG 3.38Å; K208-L212 PolarHBondContact O-N 3.43Å
209L92.6Very high93.3Very high19 Ų1988.4 Ų88.410%0.09942%0.423CS..Hα-helixtrans-60.9-45.7176.5-175.863.7000110.9V2 L3 E205 K206 E207 V211 L212 E213 F225V2-L209 HydrophobicContact CG1-CB 3.84Å; V2-L209 HydrophobicContact CG1-CD1 4.25Å; L3-L209 HydrophobicContact CD2-CD1 3.77Å; L3-L209 HydrophobicContact CD2-CD2 3.59Å; L3-L209 HydrophobicContact CD2-CG 4.34Å; L3-L209 HydrophobicContact CG-CD1 3.86Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.13Å; K206-L209 WeakPolarHBondContact O-CB 3.27Å; K206-L209 PolarHBondContact O-N 2.68Å; K206-L209 VanDerWaalsContact O-N 3.14Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 3.27Å; L209-V211 VanDerWaalsContact C-N 3.3Å; L209-V211 PolarHBondContact O-N 3.47Å; L209-L212 CarbonylContact O-C 3.53Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 2.85Å; L209-L212 VanDerWaalsContact O-N 3.09Å; L209-E213 HydrophobicContact CG-CG 4.38Å; L209-E213 WeakPolarHBondContact O-CB 3.45Å; L209-E213 VanDerWaalsContact O-CG 3.3Å; L209-E213 WeakPolarHBondContact O-CG 3.41Å; L209-E213 PolarHBondContact O-N 3.05Å; L209-F225 HydrophobicContact CD1-CE1 3.85Å; L209-F225 HydrophobicContact CD1-CZ 4.28Å
210T93.4Very high92.6Very high65 Ų6587 Ų8740%0.39942%0.418SS..Hα-helixtrans-61.9-35.8177.4-530000112.6K206 E207 R214K206-T210 PolarHBondContact O-N 3.42Å; K206-T210 PolarHBondContact O-OG1 3.35Å; K206-T210 VanDerWaalsContact O-OG1 3.06Å; E207-T210 PolarHBondContact O-N 3.24Å; T210-R214 WeakPolarHBondContact O-CG 3.27Å; T210-R214 PolarHBondContact O-N 2.7Å; T210-R214 VanDerWaalsContact O-N 3.13Å; T210-R214 PolarHBondContact O-NE 2.93Å
211V93.8Very high91.9Very high78 Ų7883.8 Ų83.847%0.47342%0.424SS..Hα-helixtrans-65.8-43.9172.6173.90000111E207 K208 L209 R214 R215E207-V211 WeakPolarHBondContact O-CG2 3.26Å; E207-V211 PolarHBondContact O-N 3.18Å; K208-V211 PolarHBondContact O-N 3.26Å; L209-V211 VanDerWaalsContact C-N 3.3Å; L209-V211 PolarHBondContact O-N 3.47Å; V211-R214 PolarHBondContact O-N 2.8Å; V211-R215 PolarHBondContact O-N 3.38Å
212L90.8Very high91.1Very high75 Ų7581 Ų8139%0.39342%0.418SS..Hα-helixtrans-65.2-40.2177.2-73.1171.1000112.5V2 K208 L209 R215 Y216V2-L212 HydrophobicContact CB-CD1 4.24Å; V2-L212 HydrophobicContact CG2-CD1 3.76Å; K208-L212 WeakPolarHBondContact O-CG 3.38Å; K208-L212 PolarHBondContact O-N 3.43Å; L209-L212 CarbonylContact O-C 3.53Å; L209-L212 WeakPolarHBondContact O-CB 3.46Å; L209-L212 PolarHBondContact O-N 2.85Å; L209-L212 VanDerWaalsContact O-N 3.09Å; L212-R215 PolarHBondContact O-N 3.47Å; L212-Y216 WeakPolarHBondContact O-CB 3.28Å; L212-Y216 PolarHBondContact O-N 2.81Å
213E89.9Confident90.4Very high61 Ų6188.7 Ų88.729%0.28545%0.446SS..Hα-helixtrans-59.1-48.3175.1-75.7174.116300111.2L209 R215 Y216 H217 F225L209-E213 HydrophobicContact CG-CG 4.38Å; L209-E213 WeakPolarHBondContact O-CB 3.45Å; L209-E213 VanDerWaalsContact O-CG 3.3Å; L209-E213 WeakPolarHBondContact O-CG 3.41Å; L209-E213 PolarHBondContact O-N 3.05Å; E213-R215 PolarHBondContact O-N 2.94Å; E213-Y216 PolarHBondContact O-N 3.46Å; E213-H217 WeakPolarHBondContact O-CB 3.4Å; E213-H217 PolarHBondContact O-N 3.47Å; E213-F225 HydrophobicContact CB-CB 4.27Å; E213-F225 HydrophobicContact CB-CG 4.28Å; E213-F225 HydrophobicContact CG-CB 3.81Å; E213-F225 HydrophobicContact CG-CD1 3.5Å; E213-F225 HydrophobicContact CG-CD2 4.13Å; E213-F225 HydrophobicContact CG-CE1 4.04Å; E213-F225 HydrophobicContact CG-CG 3.55Å
214R91.3Very high89.7Confident149 Ų14989.4 Ų89.456%0.56246%0.459SS*.Hα-helixtrans-60.2-42.9175.5-80.1-178-82.3141.9-12112.4T210 V211 H217 S218T210-R214 WeakPolarHBondContact O-CG 3.27Å; T210-R214 PolarHBondContact O-N 2.7Å; T210-R214 VanDerWaalsContact O-N 3.13Å; T210-R214 PolarHBondContact O-NE 2.93Å; V211-R214 PolarHBondContact O-N 2.8Å; R214-H217 PolarHBondContact O-N 2.68Å; R214-S218 PolarHBondContact O-N 3.13Å; R214-S218 VanDerWaalsContact O-N 3.08Å; R214-S218 PolarHBondContact O-OG 3.4Å
215R90.4Very high89Confident172 Ų17285.5 Ų85.565%0.64944%0.442SS*.Hα-helixtrans-65.7-43.6178.4-168176.3-176.6-171.90.8111.7V211 L212 E213 S218 L219V211-R215 PolarHBondContact O-N 3.38Å; L212-R215 PolarHBondContact O-N 3.47Å; E213-R215 PolarHBondContact O-N 2.94Å; R215-S218 PolarHBondContact O-N 3.47Å; R215-L219 HydrophobicContact CG-CD1 4.05Å; R215-L219 WeakPolarHBondContact O-CB 3.34Å; R215-L219 WeakPolarHBondContact O-CG 3.34Å; R215-L219 PolarHBondContact O-N 2.84Å
216Y87.3Confident88.2Confident61 Ų6185 Ų8524%0.23944%0.441CS..Hα-helixtrans-62.5-44.5175.9177.9-90.1000111.9L212 E213 S218 L219 T220 P224 F225L212-Y216 WeakPolarHBondContact O-CB 3.28Å; L212-Y216 PolarHBondContact O-N 2.81Å; E213-Y216 PolarHBondContact O-N 3.46Å; Y216-S218 VanDerWaalsContact C-N 3.29Å; Y216-S218 PolarHBondContact O-N 3.2Å; Y216-L219 PolarHBondContact O-N 3.18Å; Y216-T220 HydrophobicContact CD1-CG2 4.26Å; Y216-T220 HydrophobicContact CD2-CG2 4.06Å; Y216-T220 HydrophobicContact CE1-CG2 3.98Å; Y216-T220 HydrophobicContact CE2-CG2 3.77Å; Y216-T220 HydrophobicContact CG-CG2 4.3Å; Y216-T220 WeakPolarHBondContact O-CB 3.32Å; Y216-T220 WeakPolarHBondContact O-CG2 3.06Å; Y216-T220 PolarHBondContact O-N 2.94Å; Y216-T220 PolarHBondContact O-OG1 3.27Å; Y216-P224 WeakPolarHBondContact CE1-O 3.12Å; Y216-F225 HydrophobicContact CD1-CB 4.19Å; Y216-F225 AromaticContact CD1-CD2 3.71Å; Y216-F225 HydrophobicContact CD1-CD2 3.71Å; Y216-F225 HydrophobicContact CD1-CG 4.43Å; Y216-F225 HydrophobicContact CD2-CD2 4.13Å; Y216-F225 HydrophobicContact CD2-CE2 4.34Å; Y216-F225 HydrophobicContact CE1-CD2 4.44Å; Y216-F225 AromaticContact CG-CD2 3.53Å; Y216-F225 HydrophobicContact CG-CD2 3.53Å; Y216-F225 HydrophobicContact CG-CE2 4.09Å
217H88.3Confident87.4Confident97 Ų9789.2 Ų89.245%0.44946%0.459SS..Hα-helixtrans-58.5-42.9177.4-17479.1000111.8E213 R214 G221 G222 R223E213-H217 WeakPolarHBondContact O-CB 3.4Å; E213-H217 PolarHBondContact O-N 3.47Å; R214-H217 PolarHBondContact O-N 2.68Å; H217-G221 PolarHBondContact O-N 2.88Å; H217-G222 VanDerWaalsContact CE1-C 3.47Å; H217-G222 WeakPolarHBondContact CE1-CA 3.21Å; H217-G222 PolarHBondContact CE1-O 3.01Å; H217-G222 PolarHBondContact ND1-O 3.24Å; H217-G222 PolarHBondContact O-N 3.18Å; H217-R223 PolarHBondContact ND1-O 2.62Å
218S90.1Very high86.4Confident96 Ų9687.1 Ų87.167%0.67145%0.454SS*.Hα-helixtrans-64.9-43.2176.7-53.40000112.2R214 R215 Y216R214-S218 PolarHBondContact O-N 3.13Å; R214-S218 VanDerWaalsContact O-N 3.08Å; R214-S218 PolarHBondContact O-OG 3.4Å; R215-S218 PolarHBondContact O-N 3.47Å; Y216-S218 VanDerWaalsContact C-N 3.29Å; Y216-S218 PolarHBondContact O-N 3.2Å
219L87.7Confident85.5Confident138 Ų13886 Ų8672%0.72346%0.455SS*.Hα-helixtrans-75.5-21.3-177.7-71.6171.7000114.3R215 Y216R215-L219 HydrophobicContact CG-CD1 4.05Å; R215-L219 WeakPolarHBondContact O-CB 3.34Å; R215-L219 WeakPolarHBondContact O-CG 3.34Å; R215-L219 PolarHBondContact O-N 2.84Å; Y216-L219 PolarHBondContact O-N 3.18Å
220T83.7Confident84.6Confident41 Ų4188.7 Ų88.725%0.25248%0.476SS..THydrogen-bonded Turntrans-106.38.7-175.257.90000113.8Y216Y216-T220 HydrophobicContact CD1-CG2 4.26Å; Y216-T220 HydrophobicContact CD2-CG2 4.06Å; Y216-T220 HydrophobicContact CE1-CG2 3.98Å; Y216-T220 HydrophobicContact CE2-CG2 3.77Å; Y216-T220 HydrophobicContact CG-CG2 4.3Å; Y216-T220 WeakPolarHBondContact O-CB 3.32Å; Y216-T220 WeakPolarHBondContact O-CG2 3.06Å; Y216-T220 PolarHBondContact O-N 2.94Å; Y216-T220 PolarHBondContact O-OG1 3.27Å
221G82.8Confident83.7Confident77 Ų7788.5 Ų88.579%0.79447%0.474SS*.THydrogen-bonded Turntrans68.338178.400000113.1H217H217-G221 PolarHBondContact O-N 2.88Å
222G81.3Confident82.9Confident37 Ų3787.8 Ų87.838%0.38147%0.467SS..SBendtrans96.24.3174.500000115.7H217H217-G222 VanDerWaalsContact CE1-C 3.47Å; H217-G222 WeakPolarHBondContact CE1-CA 3.21Å; H217-G222 PolarHBondContact CE1-O 3.01Å; H217-G222 PolarHBondContact ND1-O 3.24Å; H217-G222 PolarHBondContact O-N 3.18Å
223R82.2Confident82.2Confident173 Ų17391.1 Ų91.165%0.65348%0.479SS*.PPolyproline II helixtrans-66.6143.8179-67.4-176.4-178.4-109.61.1111.5H217H217-R223 PolarHBondContact ND1-O 2.62Å
224P79.8Confident81.4Confident111 Ų11193.9 Ų93.972%0.72149%0.492SS*.PPolyproline II helixtrans-67.9142.5177.525.9-32.1000111.3Y216Y216-P224 WeakPolarHBondContact CE1-O 3.12Å
225F82.1Confident80.4Confident40 Ų4089.4 Ų89.418%0.17548%0.481CS..PPolyproline II helixtrans-69.9135177.7-171-101.1000111.1L3 L209 E213 Y216 K227 L232L3-F225 HydrophobicContact CD1-CE1 4.15Å; L209-F225 HydrophobicContact CD1-CE1 3.85Å; L209-F225 HydrophobicContact CD1-CZ 4.28Å; E213-F225 HydrophobicContact CB-CB 4.27Å; E213-F225 HydrophobicContact CB-CG 4.28Å; E213-F225 HydrophobicContact CG-CB 3.81Å; E213-F225 HydrophobicContact CG-CD1 3.5Å; E213-F225 HydrophobicContact CG-CD2 4.13Å; E213-F225 HydrophobicContact CG-CE1 4.04Å; E213-F225 HydrophobicContact CG-CG 3.55Å; Y216-F225 HydrophobicContact CD1-CB 4.19Å; Y216-F225 AromaticContact CD1-CD2 3.71Å; Y216-F225 HydrophobicContact CD1-CD2 3.71Å; Y216-F225 HydrophobicContact CD1-CG 4.43Å; Y216-F225 HydrophobicContact CD2-CD2 4.13Å; Y216-F225 HydrophobicContact CD2-CE2 4.34Å; Y216-F225 HydrophobicContact CE1-CD2 4.44Å; Y216-F225 AromaticContact CG-CD2 3.53Å; Y216-F225 HydrophobicContact CG-CD2 3.53Å; Y216-F225 HydrophobicContact CG-CE2 4.09Å; F225-K227 PolarHBondContact O-N 3.49Å; F225-L232 HydrophobicContact CE1-CD1 4.01Å; F225-L232 HydrophobicContact CZ-CD1 3.91Å
226P80.1Confident79.5Confident13 Ų1388.5 Ų88.58%0.08448%0.478CS..PPolyproline II helixtrans-65.9117.4175.5-15.428.3000110.6T228 T231 L232 V235P226-T228 PolarHBondContact O-N 3.41Å; P226-T231 HydrophobicContact CB-CG2 4.08Å; P226-L232 HydrophobicContact CB-CB 4.44Å; P226-L232 HydrophobicContact CB-CD1 4.35Å; P226-L232 HydrophobicContact CB-CG 3.93Å; P226-L232 HydrophobicContact CG-CG 4.11Å; P226-V235 HydrophobicContact CG-CG2 4.37Å
227K76.8Confident78.8Confident172 Ų17293.1 Ų93.175%0.74850%0.495SS*.  trans-81.8-11.1-170.5-63.2-175178.4179.70114.6F225F225-K227 PolarHBondContact O-N 3.49Å
228T75.4Confident77.6Confident62 Ų6292.6 Ų92.638%0.3850%0.503SS..SBendtrans-121.2148-178.267.30000110.5P226 S230 T231 L232P226-T228 PolarHBondContact O-N 3.41Å; T228-S230 PolarHBondContact O-N 3.11Å; T228-S230 PolarHBondContact OG1-OG 3.46Å; T228-T231 PolarHBondContact O-N 2.96Å; T228-T231 VanDerWaalsContact OG1-CB 3.29Å; T228-T231 WeakPolarHBondContact OG1-CB 3.36Å; T228-T231 PolarHBondContact OG1-N 3.13Å; T228-T231 PolarHBondContact OG1-OG1 2.95Å; T228-L232 PolarHBondContact O-N 3.38Å; T228-L232 VanDerWaalsContact O-N 3.07Å
229T75Confident76.2Confident68 Ų6896.1 Ų96.142%0.41751%0.506SS..Hα-helixtrans-62.1-29.2175.123.30000112.7L3 K233L3-T229 HydrophobicContact CB-CG2 3.85Å; T229-K233 WeakPolarHBondContact O-CG 3.33Å; T229-K233 PolarHBondContact O-N 3.01Å
230S74.4Confident74.8Confident77 Ų7795.8 Ų95.854%0.53850%0.502SS..Hα-helixtrans-69-49.9175.949.80000111.7T228 L232 K233 E234T228-S230 PolarHBondContact O-N 3.11Å; T228-S230 PolarHBondContact OG1-OG 3.46Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.25Å; S230-K233 PolarHBondContact O-N 3.46Å; S230-E234 PolarHBondContact O-N 2.97Å; S230-E234 VanDerWaalsContact O-N 3.08Å
231T75.6Confident73.4Confident61 Ų61100.2 Ų100.237%0.37453%0.525SS..Hα-helixtrans-65.4-34178.8-51.20000111.5P226 T228 E234 V235P226-T231 HydrophobicContact CB-CG2 4.08Å; T228-T231 PolarHBondContact O-N 2.96Å; T228-T231 VanDerWaalsContact OG1-CB 3.29Å; T228-T231 WeakPolarHBondContact OG1-CB 3.36Å; T228-T231 PolarHBondContact OG1-N 3.13Å; T228-T231 PolarHBondContact OG1-OG1 2.95Å; T231-E234 PolarHBondContact O-N 3.1Å; T231-V235 WeakPolarHBondContact O-CG2 3.42Å; T231-V235 PolarHBondContact O-N 2.99Å
232L75.4Confident71.9Confident62 Ų6299.6 Ų99.633%0.32552%0.518SS..Hα-helixtrans-66.2-39.1174-117.3152.8000113.2L3 F225 P226 T228 S230 E234 Y236L3-L232 HydrophobicContact CD1-CD1 3.35Å; F225-L232 HydrophobicContact CE1-CD1 4.01Å; F225-L232 HydrophobicContact CZ-CD1 3.91Å; P226-L232 HydrophobicContact CB-CB 4.44Å; P226-L232 HydrophobicContact CB-CD1 4.35Å; P226-L232 HydrophobicContact CB-CG 3.93Å; P226-L232 HydrophobicContact CG-CG 4.11Å; T228-L232 PolarHBondContact O-N 3.38Å; T228-L232 VanDerWaalsContact O-N 3.07Å; S230-L232 VanDerWaalsContact C-N 3.29Å; S230-L232 PolarHBondContact O-N 3.25Å; L232-E234 VanDerWaalsContact C-N 3.3Å; L232-Y236 WeakPolarHBondContact O-CB 3.4Å; L232-Y236 PolarHBondContact O-N 3.4Å; L232-Y236 VanDerWaalsContact O-N 3.09Å
233K75.8Confident70Confident145 Ų145107 Ų10763%0.6354%0.543SS*.Hα-helixtrans-67.8-31.3175.1-77.6178.6178.2-174.80112.4T229 S230 R237T229-K233 WeakPolarHBondContact O-CG 3.33Å; T229-K233 PolarHBondContact O-N 3.01Å; S230-K233 PolarHBondContact O-N 3.46Å; K233-R237 PolarHBondContact O-N 3.01Å
234E74.4Confident67.8Low120 Ų120103.2 Ų103.256%0.56155%0.548SS*.Hα-helixtrans-73-43.9177-167.5169.7-158.800111.8S230 T231 L232 Y236 R237 S238S230-E234 PolarHBondContact O-N 2.97Å; S230-E234 VanDerWaalsContact O-N 3.08Å; T231-E234 PolarHBondContact O-N 3.1Å; L232-E234 VanDerWaalsContact C-N 3.3Å; E234-Y236 VanDerWaalsContact C-N 3.29Å; E234-Y236 PolarHBondContact O-N 3.38Å; E234-R237 PolarHBondContact O-N 3.1Å; E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 3.42Å
235V70.8Confident65.7Low54 Ų54104.7 Ų104.733%0.32756%0.556SS.*Hα-helixtrans-60.9-37.9172.4172.30000111.7P226 T231 K239P226-V235 HydrophobicContact CG-CG2 4.37Å; T231-V235 WeakPolarHBondContact O-CG2 3.42Å; T231-V235 PolarHBondContact O-N 2.99Å; V235-K239 PolarHBondContact O-N 3.21Å
236Y70.6Confident63.4Low153 Ų153108.1 Ų108.160%0.658%0.584SS**Hα-helixtrans-68.3-44.6176-172.6-94.7000112.4L232 E234 K239 M240L232-Y236 WeakPolarHBondContact O-CB 3.4Å; L232-Y236 PolarHBondContact O-N 3.4Å; L232-Y236 VanDerWaalsContact O-N 3.09Å; E234-Y236 VanDerWaalsContact C-N 3.29Å; E234-Y236 PolarHBondContact O-N 3.38Å; Y236-K239 PolarHBondContact O-N 3.47Å; Y236-M240 HydrophobicContact CE1-CG 4.11Å; Y236-M240 PolarHBondContact O-N 2.84Å
237R72.9Confident62.2Low158 Ų158112.2 Ų112.260%0.59661%0.611SS**Hα-helixtrans-61.2-46.4174.4-90.9-174.1-72.4170.80.4112.2K233 E234 K239 M240 D241K233-R237 PolarHBondContact O-N 3.01Å; E234-R237 PolarHBondContact O-N 3.1Å; R237-K239 PolarHBondContact O-N 2.91Å; R237-K239 VanDerWaalsContact O-N 3.11Å; R237-M240 PolarHBondContact O-N 2.88Å; R237-D241 PolarHBondContact O-N 3.35Å
238S63Low60.1Low87 Ų87111.6 Ų111.661%0.60862%0.615SS**Hα-helixtrans-61-21.9178-179.60000113.9E234E234-S238 WeakPolarHBondContact O-CB 3.3Å; E234-S238 PolarHBondContact O-N 3.42Å
239K61.3Low59.1Low170 Ų170113.8 Ų113.874%0.73963%0.63SS**Hα-helixtrans-87.9-26.8172.9-79.7-158.7175-166.40113.8V235 Y236 R237V235-K239 PolarHBondContact O-N 3.21Å; Y236-K239 PolarHBondContact O-N 3.47Å; R237-K239 PolarHBondContact O-N 2.91Å; R237-K239 VanDerWaalsContact O-N 3.11Å
240M58.3Low57Low130 Ų130121.8 Ų121.864%0.6465%0.653SS**Hα-helixtrans-78.1-29.4175.4-79.9-89.4154.600112Y236 R237 G242Y236-M240 HydrophobicContact CE1-CG 4.11Å; Y236-M240 PolarHBondContact O-N 2.84Å; R237-M240 PolarHBondContact O-N 2.88Å; M240-G242 VanDerWaalsContact C-N 3.26Å; M240-G242 PolarHBondContact O-N 3.01Å
241D52.6Low55Low135 Ų135123.9 Ų123.972%0.72266%0.662SS**THydrogen-bonded Turntrans-83.74.5175.9-64.6-33.5000113.4R237R237-D241 PolarHBondContact O-N 3.35Å
242G51.4Low52.9Low64 Ų64132.1 Ų132.166%0.6669%0.687SS**THydrogen-bonded Turntrans-92.92.6-174.400000116.1M240M240-G242 VanDerWaalsContact C-N 3.26Å; M240-G242 PolarHBondContact O-N 3.01Å
243E42.2Very low50.8Low192 Ų192134.7 Ų134.790%0.89771%0.71SS**  trans-122.459.5-177.7-153166-158.500111
244A36.9Very low48.7Very low93 Ų93131.3 Ų131.377%0.76972%0.716SS**SBendtrans-145.6130.7158.400000108.9
245T35.9Very low47.5Very low143 Ų143131.2 Ų131.288%0.87773%0.725SS**  trans-60.6141.4-168.650.30000115.5
246S32.6Very low45.7Very low111 Ų111136.3 Ų136.378%0.77675%0.75SS**  trans-43.8179.1161.5-94.80000116.9
247P54.1Low45Very low99 Ų99134 Ų13464%0.64375%0.754SS**  cis-143.6163.8-32.137.8-18.9000116.7
248L33.4Very low43Very low160 Ų160132.1 Ų132.184%0.83877%0.765SS**  trans69.6169.3146.2-69.5164.8000120.6
249P55.3Low41.7Very low107 Ų107132.7 Ų132.770%0.69577%0.769SS**  -136.1-172-7739.1-18.2000113.9
250R31.1Very low40.4Very low237 Ų237130.5 Ų130.589%0.89478%0.775SS**  trans109.6136.3167.9-71.6-175.2156.2162.9-5114.1
251T30.6Very low39.1Very low120 Ų120128 Ų12874%0.73678%0.782SS**  cis-158.3152.58.329.40000110
252R33.2Very low38.1Very low235 Ų235127 Ų12789%0.88779%0.786SS**  trans-5.2143.5141.9-106.8175.8162.7-178.5-5.6115.1
253S31.4Very low37.1Very low116 Ų116128.9 Ų128.981%0.81179%0.789SS**  cis178.8155.434.439.50000111
254G31.7Very low36.7Very low73 Ų73125.5 Ų125.575%0.75379%0.786SS**  trans113148.8144.200000116.9
255P49Very low36.4Very low118 Ų118127 Ų12777%0.76679%0.791SS**  -124.1154.9-123.137.9-25.2000116.9
256L32Very low36.2Very low162 Ų162124.8 Ų124.885%0.84878%0.782SS**  trans41169138.1-61.7173.5000121.2
257P55.9Low36.3Very low105 Ų105125.4 Ų125.468%0.68279%0.786SS**  -132.3174.2-58.737.9-21.6000110.9
258S31.4Very low35.4Very low117 Ų117128.6 Ų128.682%0.81879%0.792SS**  trans-178.2138.8136.329.70000115.2
259S34.6Very low35.3Very low99 Ų99128.3 Ų128.369%0.69279%0.791SS**  trans-35.6147.9160.649.80000120.3
260S35.9Very low34.2Very low125 Ų125128 Ų12887%0.87479%0.791SS**  63.2136.6126-53.20000121.4
261G29.9Very low34.2Very low76 Ų76123.6 Ų123.678%0.78479%0.79SS**  trans129.7106.4134.300000116.2
262S31.5Very low34.3Very low115 Ų115121.5 Ų121.580%0.80479%0.785SS**  trans-43.6151.6168.5-44.50000116.7
263S31.4Very low34.2Very low104 Ų104116.3 Ų116.373%0.72778%0.78SS**  137125.7117.7-56.90000114.4
264S33.7Very low34.2Very low120 Ų120118.7 Ų118.784%0.83978%0.783SS**  trans54.6123.1135.1-46.60000120.5
265S29.4Very low33.9Very low124 Ų124118.8 Ų118.887%0.86778%0.783SS**  trans-155138.6132.7-164.50000113
266S32.9Very low33.1Very low97 Ų97125 Ų12568%0.67879%0.791SS**  trans-83.8158.7173.3179.10000110.2
267S33.8Very low33.1Very low124 Ų124122.2 Ų122.287%0.86779%0.786SS**  trans-152.1147.1156.7-77.80000111.8
268Q34.4Very low32.4Very low167 Ų167122.7 Ų122.778%0.7879%0.789SS**  trans-99.9154.8-149.8-68.4168.7-5000115
269L32Very low32.4Very low153 Ų153122.2 Ų122.280%0.80179%0.786SS**  trans47.4132134.7-65.7159.6000119.4
270S32.5Very low32.9Very low100 Ų100123.8 Ų123.870%0.69979%0.793SS**  174.6148.959.828.50000113.9
271V31.7Very low32.7Very low145 Ų145127.2 Ų127.288%0.87979%0.793SS**  trans67.5138.1140.4177.20000118.9
272A32.8Very low32.6Very low77 Ų77129.4 Ų129.464%0.63680%0.796SS**  cis-170.1166-12.800000111.3
273T30.7Very low32.5Very low126 Ų126127.4 Ų127.477%0.77379%0.786SS**  trans91.2125.2144.115.70000124.3
274L30.1Very low32.4Very low166 Ų166130 Ų13087%0.86979%0.791SS**  trans86.3105.3146.4-63.8170.2000121.5
275G27.1Very low32.2Very low74 Ų74132.4 Ų132.476%0.76379%0.794SS**  107.5126.1102.100000119.6
276R31.9Very low32.4Very low248 Ų248131.9 Ų131.994%0.93679%0.785SS**  trans85.8116149-109174.8178.4-134.60.8120.5
277S32.6Very low32.3Very low104 Ų104136.2 Ų136.273%0.72780%0.795SS**  trans-55.2158.4153.659.10000112.4
278P40.8Very low32.5Very low116 Ų116138.4 Ų138.475%0.75380%0.797SS**  -149.3167.467.735.5-13.3000117.3
279S31.1Very low32.2Very low107 Ų107133.9 Ų133.975%0.74880%0.795SS**  trans-53.4163165.251.60000114.7
280P43.7Very low32.6Very low131 Ų131133.5 Ų133.585%0.85180%0.799SS**  -141.5174.6116.932.5-14.7000116.1
281K33.3Very low33Very low198 Ų198133 Ų13386%0.86181%0.809SS**  trans-87.8159.1-162.4-60.7163170.1171.10114.9
282S27.7Very low33.6Very low122 Ų122131.4 Ų131.485%0.85381%0.805SS**  trans62.7147.1144-130.80000117.9
283A29.1Very low34.2Very low72 Ų72134.5 Ų134.560%0.59581%0.81SS**  cis-165.7160.226.800000112
284L28.1Very low35Very low159 Ų159132.4 Ų132.483%0.83280%0.799SS**  trans66.2118.9144.9-70.2153.5000120.3
285L31.5Very low36.2Very low171 Ų171135.5 Ų135.590%0.89580%0.798SS**  -166.7145.8114.9-95.7167.4000111.8
286T33.3Very low37.5Very low113 Ų113138.1 Ų138.169%0.69380%0.795SS**  trans-63.7144.6178.9460000115.1
287Q30.3Very low38.4Very low188 Ų188130.4 Ų130.488%0.87977%0.772SS**  172.4151.8124.9-100.2-176.710.100113.5
288N37Very low39.6Very low169 Ų169128 Ų12890%0.90476%0.759SS**  trans-36.9140.1171.8-69.2-27.2000115.3
289G29.3Very low40.6Very low72 Ų72125.4 Ų125.474%0.74275%0.746SS**  trans-167.4113.7169.900000112.8
290T39.3Very low42.6Very low146 Ų146123.7 Ų123.790%0.89673%0.732SS**  trans-45.7138.6163.939.30000112.2S292T290-S292 PolarHBondContact O-N 3.28Å
291G41.9Very low43.8Very low88 Ų88122.5 Ų122.591%0.90772%0.718SS**  trans-59.5116.6-170.100000114.6
292S43.4Very low45.6Very low112 Ų112119.8 Ų119.878%0.78371%0.708SS**  trans-119.8128.7148.1700000107.6T290T290-S292 PolarHBondContact O-N 3.28Å
293L45.6Very low47.9Very low143 Ų143117.5 Ų117.575%0.74969%0.686SS**  trans-64.8141.5178.1-75164000109.4R295 L297L293-R295 PolarHBondContact O-N 3.47Å; L293-L297 HydrophobicContact CD2-CD2 4.25Å
294P48.3Very low50.1Low82 Ų82118.6 Ų118.653%0.53268%0.681SS.*  trans-62130.2-180-14.927.3000109.7N296 L297P294-N296 PolarHBondContact O-N 3.29Å; P294-L297 PolarHBondContact O-N 2.92Å
295R55.3Low52.5Low230 Ų230114.2 Ų114.287%0.86866%0.656SS**Hα-helixtrans-47.6-26.5177.2-78.8-175-176.4112.11.2113.9L293 A299L293-R295 PolarHBondContact O-N 3.47Å; R295-A299 PolarHBondContact O-N 3.37Å
296N54Low54.8Low130 Ų130109.4 Ų109.470%0.69563%0.634SS**Hα-helixtrans-70.5-29.9177.6-67.5-29.1000113.8P294 T300P294-N296 PolarHBondContact O-N 3.29Å; N296-T300 WeakPolarHBondContact O-CB 3.26Å; N296-T300 PolarHBondContact O-N 2.82Å; N296-T300 VanDerWaalsContact O-N 3.13Å; N296-T300 PolarHBondContact O-OG1 2.81Å
297L50Low57.1Low86 Ų86110 Ų11045%0.4563%0.627SS.*Hα-helixtrans-77.7-38.6178.1-169.267.5000111.4L293 P294 T300 L301L293-L297 HydrophobicContact CD2-CD2 4.25Å; P294-L297 PolarHBondContact O-N 2.92Å; L297-T300 PolarHBondContact O-N 3.13Å; L297-L301 HydrophobicContact CG-CD1 4.4Å; L297-L301 WeakPolarHBondContact O-CB 3.14Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.82Å
298A58.7Low59.5Low54 Ų54107.7 Ų107.745%0.44661%0.61SS.*Hα-helixtrans-64.1-42.7175.100000111.9T300 L301 Q302A298-T300 VanDerWaalsContact C-N 3.33Å; A298-T300 PolarHBondContact O-N 3.05Å; A298-L301 PolarHBondContact O-N 2.79Å; A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 2.99Å
299A61.5Low61.3Low60 Ų60105 Ų10550%0.49659%0.593SS.*Hα-helixtrans-63.3-38.317400000112.2R295 Q302 D303R295-A299 PolarHBondContact O-N 3.37Å; A299-Q302 PolarHBondContact O-N 3.15Å; A299-D303 WeakPolarHBondContact O-CB 3.48Å; A299-D303 PolarHBondContact O-N 2.88Å
300T73.4Confident63.9Low72 Ų72106.2 Ų106.244%0.44258%0.581SS.*Hα-helixtrans-68.7-39.9176.9-54.50000111.7N296 L297 A298 D303 I304N296-T300 WeakPolarHBondContact O-CB 3.26Å; N296-T300 PolarHBondContact O-N 2.82Å; N296-T300 VanDerWaalsContact O-N 3.13Å; N296-T300 PolarHBondContact O-OG1 2.81Å; L297-T300 PolarHBondContact O-N 3.13Å; A298-T300 VanDerWaalsContact C-N 3.33Å; A298-T300 PolarHBondContact O-N 3.05Å; T300-D303 PolarHBondContact O-N 2.94Å; T300-I304 HydrophobicContact CG2-CD1 4.02Å; T300-I304 WeakPolarHBondContact O-CB 3.3Å; T300-I304 WeakPolarHBondContact O-CD1 3.44Å; T300-I304 WeakPolarHBondContact O-CG1 3.33Å; T300-I304 PolarHBondContact O-N 3.37Å
301L68.5Low65.8Low105 Ų105101.7 Ų101.755%0.5556%0.559SS.*Hα-helixtrans-66.9-37.7176.2-73.9172000112.1L297 A298 I304 E305L297-L301 HydrophobicContact CG-CD1 4.4Å; L297-L301 WeakPolarHBondContact O-CB 3.14Å; L297-L301 WeakPolarHBondContact O-CG 3.38Å; L297-L301 PolarHBondContact O-N 2.82Å; A298-L301 PolarHBondContact O-N 2.79Å; L301-I304 PolarHBondContact O-N 2.89Å; L301-E305 WeakPolarHBondContact O-CB 3.33Å; L301-E305 PolarHBondContact O-N 3.29Å
302Q71.6Confident67.4Low142 Ų142102.4 Ų102.466%0.66454%0.541SS*.Hα-helixtrans-69.7-36.5175.7-162.9150.33.400111.8A298 A299 E305 T306A298-Q302 WeakPolarHBondContact O-CB 3.48Å; A298-Q302 PolarHBondContact O-N 2.99Å; A299-Q302 PolarHBondContact O-N 3.15Å; Q302-E305 PolarHBondContact O-N 3.29Å; Q302-T306 WeakPolarHBondContact O-CG2 3.26Å; Q302-T306 PolarHBondContact O-N 3.14Å; Q302-T306 PolarHBondContact O-OG1 3.38Å; Q302-T306 VanDerWaalsContact O-OG1 3.08Å
303D75.9Confident69.1Low73 Ų73103.5 Ų103.539%0.3953%0.534SS..Hα-helixtrans-68.1-32.8172.4-168.950.6000112.7A299 T300 T306 K307A299-D303 WeakPolarHBondContact O-CB 3.48Å; A299-D303 PolarHBondContact O-N 2.88Å; T300-D303 PolarHBondContact O-N 2.94Å; D303-T306 VanDerWaalsContact CA-OG1 3.3Å; D303-T306 WeakPolarHBondContact CA-OG1 3.49Å; D303-T306 PolarHBondContact O-OG1 3.14Å; D303-K307 VanDerWaalsContact O-CB 3.31Å; D303-K307 WeakPolarHBondContact O-CB 3.35Å; D303-K307 WeakPolarHBondContact O-CD 3.19Å; D303-K307 WeakPolarHBondContact O-CG 3.19Å; D303-K307 PolarHBondContact O-N 2.89Å; D303-K307 IonicContact OD1-NZ 3.7Å; D303-K307 WeakPolarHBondContact OD2-CE 3.3Å; D303-K307 IonicContact OD2-NZ 3.23Å; D303-K307 PolarHBondContact OD2-NZ 3.12Å
304I76.4Confident70.8Confident95 Ų95101.9 Ų101.949%0.48752%0.523SS..Hα-helixtrans-68.9-41.9172.2-71163.7000110.5T300 L301 K307 R308T300-I304 HydrophobicContact CG2-CD1 4.02Å; T300-I304 WeakPolarHBondContact O-CB 3.3Å; T300-I304 WeakPolarHBondContact O-CD1 3.44Å; T300-I304 WeakPolarHBondContact O-CG1 3.33Å; T300-I304 PolarHBondContact O-N 3.37Å; L301-I304 PolarHBondContact O-N 2.89Å; I304-K307 PolarHBondContact O-N 3.5Å; I304-R308 WeakPolarHBondContact O-CB 3.3Å; I304-R308 PolarHBondContact O-N 2.97Å
305E76.9Confident72.3Confident67 Ų67104.7 Ų104.731%0.31353%0.526SS..Hα-helixtrans-70.1-38.7179.8-173.656.3-153.400112.1L301 Q302 R308 Q309L301-E305 WeakPolarHBondContact O-CB 3.33Å; L301-E305 PolarHBondContact O-N 3.29Å; Q302-E305 PolarHBondContact O-N 3.29Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3Å; E305-R308 IonicContact OE1-CZ 2.7Å; E305-R308 IonicContact OE1-NE 2.75Å; E305-R308 PolarHBondContact OE1-NE 3.48Å; E305-R308 IonicContact OE1-NH2 3.01Å; E305-R308 PolarHBondContact OE1-NH2 2.9Å; E305-R308 IonicContact OE2-CZ 3.28Å; E305-R308 IonicContact OE2-NE 2.68Å; E305-R308 PolarHBondContact OE2-NE 3.49Å; E305-R308 IonicContact OE2-NH2 3.17Å; E305-R308 PolarHBondContact OE2-NH2 2.89Å; E305-Q309 WeakPolarHBondContact O-CG 3.21Å; E305-Q309 PolarHBondContact O-N 3.2Å; E305-Q309 PolarHBondContact OE1-NE2 3.45Å
306T80.3Confident73Confident70 Ų7095.3 Ų95.343%0.42950%0.501SS..Hα-helixtrans-65.2-41.717351.40000111.6Q302 D303 R308 Q309 L310Q302-T306 WeakPolarHBondContact O-CG2 3.26Å; Q302-T306 PolarHBondContact O-N 3.14Å; Q302-T306 PolarHBondContact O-OG1 3.38Å; Q302-T306 VanDerWaalsContact O-OG1 3.08Å; D303-T306 VanDerWaalsContact CA-OG1 3.3Å; D303-T306 WeakPolarHBondContact CA-OG1 3.49Å; D303-T306 PolarHBondContact O-OG1 3.14Å; T306-R308 VanDerWaalsContact C-N 3.32Å; T306-R308 PolarHBondContact O-N 2.98Å; T306-Q309 PolarHBondContact O-N 3.16Å; T306-L310 WeakPolarHBondContact O-CB 3.29Å; T306-L310 PolarHBondContact O-N 2.93Å
307K80.9Confident74Confident125 Ų12594.7 Ų94.754%0.54349%0.494SS..Hα-helixtrans-63.6-36.5173.4-76.1169.8179.9162.50112.4D303 I304 A311D303-K307 VanDerWaalsContact O-CB 3.31Å; D303-K307 WeakPolarHBondContact O-CB 3.35Å; D303-K307 WeakPolarHBondContact O-CD 3.19Å; D303-K307 WeakPolarHBondContact O-CG 3.19Å; D303-K307 PolarHBondContact O-N 2.89Å; D303-K307 IonicContact OD1-NZ 3.7Å; D303-K307 WeakPolarHBondContact OD2-CE 3.3Å; D303-K307 IonicContact OD2-NZ 3.23Å; D303-K307 PolarHBondContact OD2-NZ 3.12Å; I304-K307 PolarHBondContact O-N 3.5Å; K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.35Å; K307-A311 PolarHBondContact O-N 3.28Å
308R81.6Confident75.4Confident141 Ų14196.9 Ų96.953%0.53250%0.502SS..Hα-helixtrans-65-44.8175.2-169.8-178.379.5124.14.7111.5I304 E305 T306 A311 L312I304-R308 WeakPolarHBondContact O-CB 3.3Å; I304-R308 PolarHBondContact O-N 2.97Å; E305-R308 WeakPolarHBondContact O-CB 3.49Å; E305-R308 PolarHBondContact O-N 3Å; E305-R308 IonicContact OE1-CZ 2.7Å; E305-R308 IonicContact OE1-NE 2.75Å; E305-R308 PolarHBondContact OE1-NE 3.48Å; E305-R308 IonicContact OE1-NH2 3.01Å; E305-R308 PolarHBondContact OE1-NH2 2.9Å; E305-R308 IonicContact OE2-CZ 3.28Å; E305-R308 IonicContact OE2-NE 2.68Å; E305-R308 PolarHBondContact OE2-NE 3.49Å; E305-R308 IonicContact OE2-NH2 3.17Å; E305-R308 PolarHBondContact OE2-NH2 2.89Å; T306-R308 VanDerWaalsContact C-N 3.32Å; T306-R308 PolarHBondContact O-N 2.98Å; R308-A311 PolarHBondContact O-N 3.33Å; R308-L312 HydrophobicContact CG-CD1 4.3Å; R308-L312 WeakPolarHBondContact O-CB 3.48Å; R308-L312 WeakPolarHBondContact O-CG 3.44Å; R308-L312 PolarHBondContact O-N 3.46Å
309Q75.6Confident76.5Confident113 Ų11397.9 Ų97.953%0.52850%0.502SS..Hα-helixtrans-64.8-42.3177-72.4177.37.900111.7E305 T306 A311 L312 Q313E305-Q309 WeakPolarHBondContact O-CG 3.21Å; E305-Q309 PolarHBondContact O-N 3.2Å; E305-Q309 PolarHBondContact OE1-NE2 3.45Å; T306-Q309 PolarHBondContact O-N 3.16Å; Q309-A311 PolarHBondContact O-N 2.9Å; Q309-L312 PolarHBondContact O-N 3.45Å; Q309-Q313 WeakPolarHBondContact O-CB 3.49Å; Q309-Q313 PolarHBondContact O-N 2.82Å
310L82.5Confident77.3Confident96 Ų9699.5 Ų99.550%0.50350%0.501SS..Hα-helixtrans-63-42.5175.3-168.974.2000111.8T306 Q313 Q314T306-L310 WeakPolarHBondContact O-CB 3.29Å; T306-L310 PolarHBondContact O-N 2.93Å; L310-Q313 PolarHBondContact O-N 3.04Å; L310-Q314 WeakPolarHBondContact O-CB 3.08Å; L310-Q314 WeakPolarHBondContact O-CG 3.44Å; L310-Q314 PolarHBondContact O-N 3.5Å
311A79.6Confident77.6Confident51 Ų51101.7 Ų101.742%0.42151%0.507SS..Hα-helixtrans-65.5-37.9176.900000112.2K307 R308 Q309 K315K307-A311 VanDerWaalsContact O-CB 3.31Å; K307-A311 WeakPolarHBondContact O-CB 3.35Å; K307-A311 PolarHBondContact O-N 3.28Å; R308-A311 PolarHBondContact O-N 3.33Å; Q309-A311 PolarHBondContact O-N 2.9Å; A311-K315 WeakPolarHBondContact O-CB 3.38Å; A311-K315 PolarHBondContact O-N 2.68Å
312L74.4Confident78.3Confident104 Ų104100.2 Ų100.255%0.54550%0.497SS..Hα-helixtrans-67.1-40.5174.4-77.3167.9000111.8R308 Q309 K315 G316R308-L312 HydrophobicContact CG-CD1 4.3Å; R308-L312 WeakPolarHBondContact O-CB 3.48Å; R308-L312 WeakPolarHBondContact O-CG 3.44Å; R308-L312 PolarHBondContact O-N 3.46Å; Q309-L312 PolarHBondContact O-N 3.45Å; L312-K315 PolarHBondContact O-N 3Å; L312-G316 PolarHBondContact O-N 3.23Å
313Q80.4Confident78.5Confident134 Ų13498.1 Ų98.163%0.62649%0.487SS*.Hα-helixtrans-66.6-44.4176.3-168.5171.723.700111.5Q309 L310 K315 G316 Q317Q309-Q313 WeakPolarHBondContact O-CB 3.49Å; Q309-Q313 PolarHBondContact O-N 2.82Å; L310-Q313 PolarHBondContact O-N 3.04Å; Q313-K315 VanDerWaalsContact C-N 3.35Å; Q313-K315 PolarHBondContact O-N 3.36Å; Q313-G316 PolarHBondContact O-N 2.95Å; Q313-Q317 WeakPolarHBondContact O-CB 3.48Å; Q313-Q317 PolarHBondContact O-N 3.09Å
314Q82.1Confident78.6Confident110 Ų110101.9 Ų101.951%0.51450%0.496SS..Hα-helixtrans-61.2-42.3174.1-76.7179.5-6.200112L310 Q317 Q318L310-Q314 WeakPolarHBondContact O-CB 3.08Å; L310-Q314 WeakPolarHBondContact O-CG 3.44Å; L310-Q314 PolarHBondContact O-N 3.5Å; Q314-Q317 PolarHBondContact O-N 3.23Å; Q314-Q318 WeakPolarHBondContact O-CG 3.44Å; Q314-Q318 PolarHBondContact O-N 3.08Å
315K78.4Confident79.1Confident141 Ų141104 Ų10461%0.61350%0.498SS*.Hα-helixtrans-68.3-37.2177.6-165.4172.3-175.9175.90111.8A311 L312 Q313 Q318 V319A311-K315 WeakPolarHBondContact O-CB 3.38Å; A311-K315 PolarHBondContact O-N 2.68Å; L312-K315 PolarHBondContact O-N 3Å; Q313-K315 VanDerWaalsContact C-N 3.35Å; Q313-K315 PolarHBondContact O-N 3.36Å; K315-Q318 PolarHBondContact O-N 3.24Å; K315-V319 VanDerWaalsContact O-CG2 3.3Å; K315-V319 WeakPolarHBondContact O-CG2 3.39Å; K315-V319 PolarHBondContact O-N 3.24Å
316G69.5Low79.3Confident32 Ų32106.4 Ų106.433%0.3350%0.504SS..Hα-helixtrans-61-46.9171.500000111.9L312 Q313 Q318 V319 I320L312-G316 PolarHBondContact O-N 3.23Å; Q313-G316 PolarHBondContact O-N 2.95Å; G316-Q318 PolarHBondContact O-N 2.7Å; G316-V319 PolarHBondContact O-N 3.37Å; G316-I320 VanDerWaalsContact O-CG1 3.29Å; G316-I320 WeakPolarHBondContact O-CG1 3.5Å; G316-I320 PolarHBondContact O-N 3.38Å
317Q75.6Confident79.1Confident118 Ų118107.8 Ų107.855%0.55151%0.508SS*.Hα-helixtrans-60-44.9176.2-155.885.310.800111.4Q313 Q314 V319 I320 E321Q313-Q317 WeakPolarHBondContact O-CB 3.48Å; Q313-Q317 PolarHBondContact O-N 3.09Å; Q314-Q317 PolarHBondContact O-N 3.23Å; Q317-V319 PolarHBondContact O-N 2.82Å; Q317-I320 PolarHBondContact O-N 3.46Å; Q317-E321 WeakPolarHBondContact O-CB 3.3Å; Q317-E321 PolarHBondContact O-N 3.01Å
318Q80.6Confident79.2Confident132 Ų132104.6 Ų104.662%0.61751%0.505SS*.Hα-helixtrans-61.6-40.8177.2-76.5176.22.400112.7Q314 K315 G316 E321 E322Q314-Q318 WeakPolarHBondContact O-CG 3.44Å; Q314-Q318 PolarHBondContact O-N 3.08Å; K315-Q318 PolarHBondContact O-N 3.24Å; G316-Q318 PolarHBondContact O-N 2.7Å; Q318-E321 PolarHBondContact O-N 3.12Å; Q318-E322 VanDerWaalsContact O-CB 3.28Å; Q318-E322 WeakPolarHBondContact O-CB 3.46Å; Q318-E322 PolarHBondContact O-N 3.41Å
319V80.1Confident79.2Confident75 Ų75102 Ų10246%0.45550%0.499SS..Hα-helixtrans-66-41.9176.8171.50000110.6K315 G316 Q317 E322 Q323K315-V319 VanDerWaalsContact O-CG2 3.3Å; K315-V319 WeakPolarHBondContact O-CG2 3.39Å; K315-V319 PolarHBondContact O-N 3.24Å; G316-V319 PolarHBondContact O-N 3.37Å; Q317-V319 PolarHBondContact O-N 2.82Å; V319-E322 PolarHBondContact O-N 3.35Å; V319-Q323 HydrophobicContact CG1-CG 4.47Å; V319-Q323 VanDerWaalsContact O-CG 3.32Å; V319-Q323 WeakPolarHBondContact O-CG 3.4Å; V319-Q323 PolarHBondContact O-N 2.96Å
320I78.8Confident79.5Confident93 Ų93102.1 Ų102.148%0.47750%0.503SS..Hα-helixtrans-63.5-45.3177.1-67.2165.4000110.7G316 Q317 E322 Q323 R324G316-I320 VanDerWaalsContact O-CG1 3.29Å; G316-I320 WeakPolarHBondContact O-CG1 3.5Å; G316-I320 PolarHBondContact O-N 3.38Å; Q317-I320 PolarHBondContact O-N 3.46Å; I320-E322 VanDerWaalsContact C-N 3.34Å; I320-E322 PolarHBondContact O-N 3.48Å; I320-Q323 PolarHBondContact O-N 2.87Å; I320-R324 WeakPolarHBondContact O-CB 3.13Å; I320-R324 WeakPolarHBondContact O-CG 3.44Å; I320-R324 PolarHBondContact O-N 3.08Å
321E80.6Confident79.5Confident119 Ų119104.5 Ų104.556%0.55651%0.509SS*.Hα-helixtrans-61.6-42.2176.6-154.970.8-133.300111.2Q317 Q318 R324 R325Q317-E321 WeakPolarHBondContact O-CB 3.3Å; Q317-E321 PolarHBondContact O-N 3.01Å; Q318-E321 PolarHBondContact O-N 3.12Å; E321-R324 PolarHBondContact O-N 3.29Å; E321-R325 WeakPolarHBondContact O-CB 3.22Å; E321-R325 PolarHBondContact O-N 3.43Å
322E82.4Confident79.7Confident73 Ų73109 Ų10934%0.34152%0.521SS..Hα-helixtrans-67.5-38.6178.5-171.4173.9-177.800112.1Q318 V319 I320 R325 R326Q318-E322 VanDerWaalsContact O-CB 3.28Å; Q318-E322 WeakPolarHBondContact O-CB 3.46Å; Q318-E322 PolarHBondContact O-N 3.41Å; V319-E322 PolarHBondContact O-N 3.35Å; I320-E322 VanDerWaalsContact C-N 3.34Å; I320-E322 PolarHBondContact O-N 3.48Å; E322-R325 PolarHBondContact O-N 3.29Å; E322-R325 IonicContact OE1-NH2 3.72Å; E322-R326 WeakPolarHBondContact O-CG 3.17Å; E322-R326 PolarHBondContact O-N 3.04Å; E322-R326 IonicContact OE1-CZ 3.83Å; E322-R326 IonicContact OE1-NE 3.28Å; E322-R326 IonicContact OE1-NH2 3.05Å; E322-R326 PolarHBondContact OE1-NH2 2.9Å
323Q76.6Confident80.1Confident99 Ų99111 Ų11146%0.46353%0.525SS..Hα-helixtrans-68.3-39.1173.6-66.9-46.5-57.200111.9V319 I320 R326 L327V319-Q323 HydrophobicContact CG1-CG 4.47Å; V319-Q323 VanDerWaalsContact O-CG 3.32Å; V319-Q323 WeakPolarHBondContact O-CG 3.4Å; V319-Q323 PolarHBondContact O-N 2.96Å; I320-Q323 PolarHBondContact O-N 2.87Å; Q323-R326 PolarHBondContact O-N 3.1Å; Q323-L327 WeakPolarHBondContact O-CB 3.38Å; Q323-L327 PolarHBondContact O-N 2.75Å
324R77.9Confident79.9Confident151 Ų151107.3 Ų107.357%0.5752%0.518SS*.Hα-helixtrans-61.1-44.2173.5-78.1-178.7177.6-1181.8111.4I320 E321 L327 A328 E381I320-R324 WeakPolarHBondContact O-CB 3.13Å; I320-R324 WeakPolarHBondContact O-CG 3.44Å; I320-R324 PolarHBondContact O-N 3.08Å; E321-R324 PolarHBondContact O-N 3.29Å; R324-L327 PolarHBondContact O-N 3.05Å; R324-A328 PolarHBondContact O-N 2.67Å; R324-E381 IonicContact NH1-OE1 3.43Å
325R86.4Confident79.7Confident139 Ų139105 Ų10553%0.52552%0.518SS..Hα-helixtrans-62-47.5175.5-174.3-17663.6179.6-2.9112.1E321 E322 L327 A328 E329E321-R325 WeakPolarHBondContact O-CB 3.22Å; E321-R325 PolarHBondContact O-N 3.43Å; E322-R325 PolarHBondContact O-N 3.29Å; E322-R325 IonicContact OE1-NH2 3.72Å; R325-L327 VanDerWaalsContact C-N 3.27Å; R325-L327 PolarHBondContact O-N 2.98Å; R325-A328 WeakPolarHBondContact O-CB 3.31Å; R325-A328 PolarHBondContact O-N 2.91Å; R325-A328 VanDerWaalsContact O-N 3.15Å; R325-E329 IonicContact NE-OE1 3.17Å; R325-E329 WeakPolarHBondContact O-CG 3.38Å; R325-E329 PolarHBondContact O-N 3.43Å
326R81.9Confident79.7Confident118 Ų118100.8 Ų100.845%0.44551%0.509SS..Hα-helixtrans-60.5-37.9176.6-74.9179.1-170.9-1715.7112.1E322 Q323 E329 L330E322-R326 WeakPolarHBondContact O-CG 3.17Å; E322-R326 PolarHBondContact O-N 3.04Å; E322-R326 IonicContact OE1-CZ 3.83Å; E322-R326 IonicContact OE1-NE 3.28Å; E322-R326 IonicContact OE1-NH2 3.05Å; E322-R326 PolarHBondContact OE1-NH2 2.9Å; Q323-R326 PolarHBondContact O-N 3.1Å; R326-E329 PolarHBondContact O-N 3.49Å; R326-L330 WeakPolarHBondContact O-CB 3.23Å; R326-L330 WeakPolarHBondContact O-CG 3.32Å; R326-L330 PolarHBondContact O-N 2.95Å
327L74.5Confident80.2Confident99 Ų99105 Ų10552%0.51852%0.521SS..Hα-helixtrans-67.3-38.8176.1-173.163.1000111.7Q323 R324 R325 L330 K331Q323-L327 WeakPolarHBondContact O-CB 3.38Å; Q323-L327 PolarHBondContact O-N 2.75Å; R324-L327 PolarHBondContact O-N 3.05Å; R325-L327 VanDerWaalsContact C-N 3.27Å; R325-L327 PolarHBondContact O-N 2.98Å; L327-L330 PolarHBondContact O-N 3.34Å; L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 WeakPolarHBondContact O-CG 3.4Å; L327-K331 PolarHBondContact O-N 2.91Å
328A83.1Confident80.1Confident58 Ų58102.1 Ų102.148%0.47952%0.517SS..Hα-helixtrans-65.3-43.4174.200000112R324 R325 L330 K331 Q332R324-A328 PolarHBondContact O-N 2.67Å; R325-A328 WeakPolarHBondContact O-CB 3.31Å; R325-A328 PolarHBondContact O-N 2.91Å; R325-A328 VanDerWaalsContact O-N 3.15Å; A328-L330 VanDerWaalsContact C-N 3.35Å; A328-L330 PolarHBondContact O-N 3.43Å; A328-K331 PolarHBondContact O-N 3.42Å; A328-Q332 WeakPolarHBondContact O-CB 3.06Å; A328-Q332 PolarHBondContact O-N 3.41Å
329E82.6Confident79.6Confident88 Ų88101 Ų10141%0.41151%0.512SS..Hα-helixtrans-62.5-40.1175.5-73172.1-166.200112.1R325 R326 Q332 K333R325-E329 IonicContact NE-OE1 3.17Å; R325-E329 WeakPolarHBondContact O-CG 3.38Å; R325-E329 PolarHBondContact O-N 3.43Å; R326-E329 PolarHBondContact O-N 3.49Å; E329-Q332 PolarHBondContact O-N 3.1Å; E329-K333 WeakPolarHBondContact O-CB 3.34Å; E329-K333 WeakPolarHBondContact O-CG 3.43Å; E329-K333 PolarHBondContact O-N 3.41Å
330L81.8Confident79.4Confident114 Ų114101.3 Ų101.360%0.59752%0.517SS*.Hα-helixtrans-65.6-42.9174.9-85.3162.8000111.9R326 L327 A328 Q332 K333 A334R326-L330 WeakPolarHBondContact O-CB 3.23Å; R326-L330 WeakPolarHBondContact O-CG 3.32Å; R326-L330 PolarHBondContact O-N 2.95Å; L327-L330 PolarHBondContact O-N 3.34Å; A328-L330 VanDerWaalsContact C-N 3.35Å; A328-L330 PolarHBondContact O-N 3.43Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-K333 PolarHBondContact O-N 3.45Å; L330-A334 WeakPolarHBondContact O-CB 3.15Å; L330-A334 PolarHBondContact O-N 2.87Å
331K81.9Confident78.9Confident146 Ų146102.1 Ų102.164%0.63552%0.518SS*.Hα-helixtrans-61.7-42.7174.6-77.5-179175.5-1740111.7L327 A328 A334 A335L327-K331 WeakPolarHBondContact O-CB 3.42Å; L327-K331 WeakPolarHBondContact O-CG 3.4Å; L327-K331 PolarHBondContact O-N 2.91Å; A328-K331 PolarHBondContact O-N 3.42Å; K331-A334 PolarHBondContact O-N 3Å; K331-A335 WeakPolarHBondContact O-CB 3.46Å; K331-A335 PolarHBondContact O-N 2.95Å
332Q84.3Confident78.4Confident145 Ų145103.3 Ų103.368%0.67852%0.518SS*.Hα-helixtrans-65.4-41.6177.7-170.3179.92300111.8A328 E329 L330 A335 A336A328-Q332 WeakPolarHBondContact O-CB 3.06Å; A328-Q332 PolarHBondContact O-N 3.41Å; E329-Q332 PolarHBondContact O-N 3.1Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; Q332-A335 PolarHBondContact O-N 2.66Å; Q332-A336 WeakPolarHBondContact O-CB 3.35Å; Q332-A336 PolarHBondContact O-N 3.07Å
333K82.6Confident77.8Confident146 Ų146103.4 Ų103.464%0.63552%0.52SS*.Hα-helixtrans-64.1-43.3175-79180179177.20112.2E329 L330 A335 A336 E337E329-K333 WeakPolarHBondContact O-CB 3.34Å; E329-K333 WeakPolarHBondContact O-CG 3.43Å; E329-K333 PolarHBondContact O-N 3.41Å; L330-K333 PolarHBondContact O-N 3.45Å; K333-A335 VanDerWaalsContact C-N 3.32Å; K333-A335 PolarHBondContact O-N 3.3Å; K333-A336 PolarHBondContact O-N 3.36Å; K333-E337 VanDerWaalsContact O-CB 3.31Å; K333-E337 WeakPolarHBondContact O-CB 3.45Å; K333-E337 PolarHBondContact O-N 3.46Å
334A75.6Confident77.4Confident58 Ų58102.5 Ų102.548%0.47953%0.53SS..Hα-helixtrans-63.2-40176.500000111.8L330 K331 A338L330-A334 WeakPolarHBondContact O-CB 3.15Å; L330-A334 PolarHBondContact O-N 2.87Å; K331-A334 PolarHBondContact O-N 3Å; A334-A338 VanDerWaalsContact O-CB 3.28Å; A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 3.34Å
335A78.1Confident76.7Confident61 Ų61102.2 Ų102.250%0.50454%0.539SS..Hα-helixtrans-66.1-43.2174.900000112.1K331 Q332 K333 A338 Q339K331-A335 WeakPolarHBondContact O-CB 3.46Å; K331-A335 PolarHBondContact O-N 2.95Å; Q332-A335 PolarHBondContact O-N 2.66Å; K333-A335 VanDerWaalsContact C-N 3.32Å; K333-A335 PolarHBondContact O-N 3.3Å; A335-A338 PolarHBondContact O-N 3.25Å; A335-Q339 WeakPolarHBondContact O-CB 3.37Å; A335-Q339 PolarHBondContact O-N 3.2Å
336A78.9Confident75.4Confident52 Ų52101.5 Ų101.543%0.4354%0.541SS..Hα-helixtrans-65.3-39.3176.400000112.1Q332 K333 Q339 C340Q332-A336 WeakPolarHBondContact O-CB 3.35Å; Q332-A336 PolarHBondContact O-N 3.07Å; K333-A336 PolarHBondContact O-N 3.36Å; A336-Q339 PolarHBondContact O-N 3.47Å; A336-C340 WeakPolarHBondContact O-CB 3.24Å; A336-C340 PolarHBondContact O-N 3.27Å; A336-C340 PolarHBondContact O-SG 2.81Å
337E79.4Confident73.8Confident121 Ų12198.5 Ų98.557%0.56555%0.548SS*.Hα-helixtrans-68.8-41.5176.7-169.7177173.200111.5K333 Q339 C340 Q341K333-E337 VanDerWaalsContact O-CB 3.31Å; K333-E337 WeakPolarHBondContact O-CB 3.45Å; K333-E337 PolarHBondContact O-N 3.46Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 3.39Å; E337-C340 PolarHBondContact O-N 3.49Å; E337-Q341 WeakPolarHBondContact O-CB 3.38Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.41Å; E337-Q341 PolarHBondContact O-N 2.91Å; E337-Q341 PolarHBondContact OE1-NE2 3.36Å
338A74.4Confident72.6Confident58 Ų5898.8 Ų98.848%0.47956%0.564SS.*Hα-helixtrans-61.8-40.5172.800000111.7A334 A335 Q341 W342A334-A338 VanDerWaalsContact O-CB 3.28Å; A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 3.34Å; A335-A338 PolarHBondContact O-N 3.25Å; A338-Q341 PolarHBondContact O-N 2.88Å; A338-W342 WeakPolarHBondContact O-CB 3.35Å; A338-W342 PolarHBondContact O-N 3.45Å
339Q70.8Confident70.6Confident107 Ų107100.3 Ų100.350%0.558%0.577SS.*Hα-helixtrans-65.3-46.8175-168.769.733.700111.3A335 A336 E337 Q341 W342 D343A335-Q339 WeakPolarHBondContact O-CB 3.37Å; A335-Q339 PolarHBondContact O-N 3.2Å; A336-Q339 PolarHBondContact O-N 3.47Å; E337-Q339 VanDerWaalsContact C-N 3.32Å; E337-Q339 PolarHBondContact O-N 3.39Å; Q339-Q341 VanDerWaalsContact C-N 3.32Å; Q339-Q341 PolarHBondContact O-N 3.46Å; Q339-W342 WeakPolarHBondContact O-CB 3.33Å; Q339-W342 PolarHBondContact O-N 3.48Å; Q339-D343 WeakPolarHBondContact O-CB 3.47Å; Q339-D343 VanDerWaalsContact O-CG 3.24Å; Q339-D343 PolarHBondContact O-N 2.7Å
340C74.6Confident68.9Low83 Ų83102 Ų10256%0.56160%0.595SS**Hα-helixtrans-63.7-35.4176.5-72.20000112.6A336 E337 A344A336-C340 WeakPolarHBondContact O-CB 3.24Å; A336-C340 PolarHBondContact O-N 3.27Å; A336-C340 PolarHBondContact O-SG 2.81Å; E337-C340 PolarHBondContact O-N 3.49Å; C340-A344 WeakPolarHBondContact O-CB 3.41Å; C340-A344 PolarHBondContact O-N 3.02Å
341Q68.9Low66.9Low110 Ų110106.6 Ų106.651%0.51461%0.611SS.*Hα-helixtrans-69.8-38.4174.1-74.2178.91700111.4E337 A338 Q339 A344 L345E337-Q341 WeakPolarHBondContact O-CB 3.38Å; E337-Q341 VanDerWaalsContact O-CG 3.27Å; E337-Q341 WeakPolarHBondContact O-CG 3.41Å; E337-Q341 PolarHBondContact O-N 2.91Å; E337-Q341 PolarHBondContact OE1-NE2 3.36Å; A338-Q341 PolarHBondContact O-N 2.88Å; Q339-Q341 VanDerWaalsContact C-N 3.32Å; Q339-Q341 PolarHBondContact O-N 3.46Å; Q341-A344 PolarHBondContact O-N 3.43Å; Q341-L345 VanDerWaalsContact O-CG 3.31Å; Q341-L345 WeakPolarHBondContact O-CG 3.34Å; Q341-L345 PolarHBondContact O-N 2.87Å; Q341-L345 VanDerWaalsContact O-N 3.09Å
342W70.3Confident65Low144 Ų144105.3 Ų105.355%0.54562%0.618SS.*Hα-helixtrans-64.3-46.2173.7-167.189.3000111.2A338 Q339 A344 L345 H346A338-W342 WeakPolarHBondContact O-CB 3.35Å; A338-W342 PolarHBondContact O-N 3.45Å; Q339-W342 WeakPolarHBondContact O-CB 3.33Å; Q339-W342 PolarHBondContact O-N 3.48Å; W342-A344 VanDerWaalsContact C-N 3.34Å; W342-A344 PolarHBondContact O-N 2.89Å; W342-L345 PolarHBondContact O-N 3.33Å; W342-H346 AromaticContact NE1-CE1 3.95Å; W342-H346 WeakPolarHBondContact O-CB 3.48Å; W342-H346 PolarHBondContact O-N 3.45Å; W342-H346 PolarHBondContact O-ND1 2.92Å
343D70Confident62.6Low74 Ų74103.3 Ų103.340%0.39663%0.626SS.*Hα-helixtrans-66.5-31.1175.2-67.4-25.4000112.1Q339 L345 H346 G347Q339-D343 WeakPolarHBondContact O-CB 3.47Å; Q339-D343 VanDerWaalsContact O-CG 3.24Å; Q339-D343 PolarHBondContact O-N 2.7Å; D343-L345 VanDerWaalsContact C-N 3.34Å; D343-H346 PolarHBondContact O-N 2.92Å; D343-G347 WeakPolarHBondContact O-CA 3.45Å; D343-G347 PolarHBondContact O-N 3Å
344A67.3Low60.2Low81 Ų8199.9 Ų99.967%0.66963%0.632SS**Hα-helixtrans-72.2-29.1174.400000112.7C340 Q341 W342C340-A344 WeakPolarHBondContact O-CB 3.41Å; C340-A344 PolarHBondContact O-N 3.02Å; Q341-A344 PolarHBondContact O-N 3.43Å; W342-A344 VanDerWaalsContact C-N 3.34Å; W342-A344 PolarHBondContact O-N 2.89Å
345L62.8Low58.8Low145 Ų145102.8 Ų102.876%0.75965%0.646SS**Hα-helixtrans-81-22.2174.8-70.8168.9000112.6Q341 W342 D343Q341-L345 VanDerWaalsContact O-CG 3.31Å; Q341-L345 WeakPolarHBondContact O-CG 3.34Å; Q341-L345 PolarHBondContact O-N 2.87Å; Q341-L345 VanDerWaalsContact O-N 3.09Å; W342-L345 PolarHBondContact O-N 3.33Å; D343-L345 VanDerWaalsContact C-N 3.34Å
346H59.5Low56.6Low123 Ų123105.7 Ų105.757%0.56966%0.662SS**Hα-helixtrans-120.3-6-173.3-61.872.5000114.2W342 D343 A348W342-H346 AromaticContact NE1-CE1 3.95Å; W342-H346 WeakPolarHBondContact O-CB 3.48Å; W342-H346 PolarHBondContact O-N 3.45Å; W342-H346 PolarHBondContact O-ND1 2.92Å; D343-H346 PolarHBondContact O-N 2.92Å; H346-A348 PolarHBondContact O-N 2.76Å
347G49.1Very low54.4Low56 Ų56107 Ų10758%0.57768%0.681SS**  trans-94.888.4-178.500000111.8D343D343-G347 WeakPolarHBondContact O-CA 3.45Å; D343-G347 PolarHBondContact O-N 3Å
348A48.1Very low52.2Low105 Ų105110.5 Ų110.587%0.86870%0.695SS**  trans-76.9138.1170.700000111.5H346H346-A348 PolarHBondContact O-N 2.76Å
349A41.9Very low50.7Low90 Ų90113.3 Ų113.374%0.74471%0.708SS**  trans-125.5157.316500000108.4
350P46.1Very low49.5Very low123 Ų123112.8 Ų112.880%0.79971%0.714SS**  -87.9147.1-128.19.58000114.7
351F40.2Very low47.6Very low210 Ų210115 Ų11592%0.92172%0.72SS**  trans-77.2149.3167.2-78.8-82.5000112.2
352P42.1Very low45.9Very low120 Ų120119.2 Ų119.278%0.77974%0.741SS**  trans-122.5123.6135.432.1-20.3000113.3
353A35.2Very low44Very low102 Ų102118.9 Ų118.984%0.84375%0.746SS**  trans53.699.8134.500000123
354G31.5Very low42.1Very low75 Ų75122.6 Ų122.677%0.77376%0.761SS**  89.4168.5115.400000119.8
355P45Very low40.6Very low119 Ų119123.8 Ų123.877%0.77376%0.764SS**  cis-135.9167.5-1738.8-20.9000115.8
356S33.6Very low39.2Very low121 Ų121123.9 Ų123.985%0.84676%0.764SS**  trans86.5119146.6740000121.1
357G31.4Very low37.9Very low79 Ų79123.6 Ų123.681%0.81477%0.766SS**  trans146.356.5162.400000116.7
358F34Very low37.1Very low195 Ų195127.3 Ų127.386%0.85577%0.768SS**  trans-71.9168171.8-85-78.9000112.4
359P43.3Very low36.2Very low118 Ų118130.4 Ų130.477%0.76676%0.764SS**  cis-151.1-162.139.652.6-30.7000115.6
360P45.4Very low35.8Very low95 Ų95133.6 Ų133.662%0.61777%0.767SS**  -128.1172.3-114.926.52.2000112.3
361L33.5Very low35.6Very low131 Ų131133.3 Ų133.369%0.68677%0.766SS**  168.2114.284.6-92.3164.7000107
362M33.2Very low34.9Very low197 Ų197128.2 Ų128.297%0.9776%0.762SS**  trans-131.9121.8152.2-77.8-68.2174.900106.5
363H31.5Very low34.2Very low138 Ų138126 Ų12664%0.63976%0.761SS**  trans-139.1117.6-170-127.2-71.3000101
364H30.7Very low33.9Very low152 Ų152132.1 Ų132.170%0.70476%0.763SS**  -166.4138.957.9-82.371.8000110.2
365S34.6Very low33.7Very low106 Ų106135.8 Ų135.874%0.74176%0.76SS**  trans-70.7164146.3-72.50000110.5
366I34.1Very low33Very low147 Ų147141.5 Ų141.575%0.75477%0.766SS**  170141.1129.4-85.3154.1000107.4
367L31.8Very low32.7Very low116 Ų116138.6 Ų138.661%0.60776%0.755SS**  cis-178.6151.9-12.3-101176.4000106.7
368H32.4Very low33Very low135 Ų135144.3 Ų144.363%0.62576%0.76SS**  trans54.2148.2143.9-53.6-57.7000121.1
369H29.3Very low32.8Very low170 Ų170144.4 Ų144.479%0.78776%0.763SS**  cis-161.9145.641-89.2-80000111.6
370L33.3Very low32.2Very low156 Ų156142.2 Ų142.282%0.81776%0.762SS**  trans-94.3156.8147.8-97.3158.8000106.8
371P40.9Very low31.6Very low118 Ų118144.4 Ų144.477%0.76676%0.764SS**  -156.8162.470.539.6-17.6000119.8
372A27.1Very low31.6Very low102 Ų102146 Ų14684%0.84377%0.768SS**  trans65.8128.5137.500000123.6
373G26.8Very low31.5Very low74 Ų74140.3 Ų140.376%0.76375%0.752SS**  trans149.495.5144.200000116.7
374R28.4Very low31.5Very low230 Ų230145.4 Ų145.487%0.86877%0.767SS**  trans27.2126.7137.3-101.5-175.7-176.4-156.43.3117.5
375E27.9Very low31.6Very low152 Ų152145.4 Ų145.471%0.7177%0.773SS**  -173.2149.360.6-68.3-159.4148.100111.9
376R30.1Very low31.8Very low240 Ų240145.9 Ų145.991%0.90677%0.771SS**  trans64132133.9-168.9-177.9-114.8-104.32.4121.8
377G27.6Very low31.8Very low59 Ų59146.8 Ų146.861%0.60878%0.777SS**  trans117.1101.2153.300000113
378E37.3Very low32.3Very low200 Ų200146.7 Ų146.794%0.93579%0.786SS**  54.197.794.1-77.7-170.3142.400113.7
379E29Very low32.3Very low197 Ų197148.4 Ų148.492%0.92180%0.799SS**  trans-138.4119.9159.7-80-169159.600111.3
380G31.4Very low32.8Very low72 Ų72149.4 Ų149.474%0.74280%0.804SS**  trans-95.6146.2158.900000110.5
381E32.4Very low32.7Very low141 Ų141147.4 Ų147.466%0.65980%0.803SS**  trans58.7123138.4-90.8-175.4169.900122.1R324R324-E381 IonicContact NH1-OE1 3.43Å
382H33.1Very low32.5Very low163 Ų163146.8 Ų146.876%0.75580%0.801SS**  trans76.7141.9151.4-56.5-50.7000116.6
383A32.3Very low32.7Very low78 Ų78149.5 Ų149.565%0.64580%0.801SS**  cis-164.7151.1-2.600000105.4
384Y30.3Very low33.1Very low245 Ų245150.9 Ų150.996%0.96180%0.799SS**  trans-120.8109161.8-72.6-73.9000108.3
385D33.4Very low33.4Very low152 Ų152148.7 Ų148.781%0.81380%0.801SS**  trans-114.2144.6160.4-146.9-5.5000108.4
386T39.8Very low33.6Very low116 Ų116150.4 Ų150.471%0.71281%0.809SS**  trans-79.4134.8-164.250.80000113
387L33.5Very low34.1Very low166 Ų166145.3 Ų145.387%0.86981%0.805SS**  trans-151.9110.4149.9-65.2178.4000106.5
388S41.6Very low34.4Very low114 Ų114147.3 Ų147.380%0.79781%0.81SS**  52.192.578.6-160.10000112.6
389L33.6Very low34.2Very low171 Ų171145.7 Ų145.790%0.89581%0.806SS**  trans-154112.5155.8-95.2174.1000110.5
390E38.2Very low34.4Very low192 Ų192142.2 Ų142.290%0.89780%0.803SS**  trans-82.2123.7159.1-171.7175.8-164.300106.6
391S32Very low34.6Very low114 Ų114145.7 Ų145.780%0.79781%0.81SS**  trans-165.3116.4155.2-154.60000111
392S37Very low34.6Very low104 Ų104142.5 Ų142.573%0.72782%0.815SS**  trans-58.5134.8144-660000109
393D31.6Very low34.6Very low159 Ų159138.1 Ų138.185%0.8581%0.814SS**  173.9150.7111.5-113-16.2000112
394S34.2Very low35Very low103 Ų103142.3 Ų142.372%0.7283%0.826SS**  trans70.5106151.8-151.50000119.6
395M36Very low35.6Very low185 Ų185136.1 Ų136.191%0.91182%0.818SS**  trans-103.2111.5156.9-72.4-77.1-171.200108.1
396E32.3Very low35.8Very low187 Ų187132.8 Ų132.887%0.87481%0.812SS**  trans-125.2113.9159.3-114.7174.3-175.900108.6
397T39.9Very low35.5Very low134 Ų134133.4 Ų133.482%0.82282%0.82SS**  trans-81.3122.6-177.6-50.10000109.8
398S33.1Very low36Very low100 Ų100130.9 Ų130.970%0.69982%0.816SS**  trans-63.2139.2173.453.70000113.5
399I34.3Very low37Very low167 Ų167130.4 Ų130.486%0.85681%0.81SS**  trans-151.8114142.728.6172000109.6
400S31.6Very low37.8Very low124 Ų124129.5 Ų129.587%0.86781%0.806SS**  trans-96.7123.4165.1-69.20000109.3
401T36.1Very low38.2Very low144 Ų144127.3 Ų127.388%0.88380%0.801SS**  trans-142125.7156.1-34.50000107.9
402G32.4Very low38.6Very low75 Ų75129.6 Ų129.677%0.77380%0.801SS**  trans-76.2160.1-170.400000115.4
403G34.3Very low38.8Very low71 Ų71129.6 Ų129.673%0.73280%0.801SS**  trans77.898139.300000119.7
404N40.3Very low39.5Very low166 Ų166127.6 Ų127.689%0.88880%0.799SS**  trans80118.9141.2-64.817.1000122
405S42.3Very low39.7Very low114 Ų114127.1 Ų127.180%0.79780%0.802SS**  10299.8128-162.40000120.5
406A37.1Very low40Very low83 Ų83123.2 Ų123.269%0.68679%0.792SS**  73.3132.9120.600000123.5
407C34Very low41Very low129 Ų129118.1 Ų118.187%0.87279%0.79SS**  trans93108.4148-58.60000120.4
408S44.6Very low41.6Very low112 Ų112118.5 Ų118.578%0.78379%0.787SS**  trans-56.4171.2148-63.10000111.7
409P62.9Low42.7Very low105 Ų105118.2 Ų118.268%0.68278%0.777SS**  cis-157.1172.84038.2-12.4000121.1
410D49.5Very low43.9Very low152 Ų152116.5 Ų116.581%0.81377%0.767SS**  trans41.1145.1139.1-51.5-23.4000124.4
411N46.1Very low45.7Very low146 Ų146112.8 Ų112.878%0.78175%0.749SS**  176.8112.8112.6-156.326.9000115.7
412M40.3Very low47.2Very low161 Ų161112 Ų11279%0.79373%0.733SS**  trans42136.6134.5-57.7-75178.700126.2
413S42.5Very low49.1Very low105 Ų105111.3 Ų111.373%0.73471%0.711SS**  115.8105.1124.4-83.70000121.7
414S46.5Very low51.2Low117 Ų117113.7 Ų113.782%0.81870%0.703SS**  49.8120.2118.2-50.10000122.7
415A37.8Very low52.9Low93 Ų93111.4 Ų111.477%0.76969%0.687SS**  159.5138.7116.300000115.7
416S43.1Very low54.6Low102 Ų102111.2 Ų111.271%0.71368%0.675SS**  trans61.5112.7144.765.60000122.8L418S416-L418 VanDerWaalsContact C-N 3.26Å; S416-L418 PolarHBondContact O-N 2.95Å
417G53.7Low56.6Low81 Ų81113.4 Ų113.484%0.83567%0.671SS**SBend73.9-13.4111.500000119.7D419G417-D419 VanDerWaalsContact C-N 3.32Å
418L51Low59Low142 Ų142113.5 Ų113.574%0.74366%0.657SS**SBendtrans-94.79.6175.1-72.1166000112.6S416S416-L418 VanDerWaalsContact C-N 3.26Å; S416-L418 PolarHBondContact O-N 2.95Å
419D56.3Low60.9Low93 Ų93113.2 Ų113.250%0.49764%0.644SS.*  trans-101-22.8-163.6-148.525.8000113.5G417 G421 K422 I423G417-D419 VanDerWaalsContact C-N 3.32Å; D419-G421 PolarHBondContact O-N 3.22Å; D419-K422 PolarHBondContact O-N 2.95Å; D419-I423 HydrophobicContact CB-CD1 4.23Å; D419-I423 WeakPolarHBondContact O-CB 3.2Å; D419-I423 WeakPolarHBondContact O-CD1 3.46Å; D419-I423 WeakPolarHBondContact O-CG1 3.1Å; D419-I423 PolarHBondContact O-N 2.92Å
420M59.9Low61.8Low131 Ų131113.2 Ų113.265%0.64564%0.638SS**Hα-helixtrans-65-44.9-178.3-166.665.770.600112.3K422 I423 E424M420-K422 VanDerWaalsContact C-N 3.31Å; M420-K422 PolarHBondContact O-N 2.88Å; M420-I423 PolarHBondContact O-N 3.47Å; M420-E424 WeakPolarHBondContact O-CG 3.45Å; M420-E424 PolarHBondContact O-N 2.88Å
421G69.1Low63.5Low47 Ų47113.9 Ų113.949%0.48563%0.633SS.*Hα-helixtrans-67.1-31.9177.100000113.2D419 E425D419-G421 PolarHBondContact O-N 3.22Å; G421-E425 VanDerWaalsContact O-CB 3.27Å; G421-E425 WeakPolarHBondContact O-CB 3.35Å; G421-E425 PolarHBondContact O-N 3.22Å
422K68Low65.4Low127 Ų127112 Ų11255%0.55262%0.62SS**Hα-helixtrans-74.7-35.4175.7-67.8-178.4-178.7178.30112.1D419 M420 M426D419-K422 PolarHBondContact O-N 2.95Å; M420-K422 VanDerWaalsContact C-N 3.31Å; M420-K422 PolarHBondContact O-N 2.88Å; K422-M426 WeakPolarHBondContact O-CB 3.43Å; K422-M426 PolarHBondContact O-N 3.47Å
423I71.1Confident67.5Low60 Ų60107.1 Ų107.131%0.30861%0.605SS.*Hα-helixtrans-67.6-45.9174.6-71162.9000110.1D419 M420 E425 M426 E427D419-I423 HydrophobicContact CB-CD1 4.23Å; D419-I423 WeakPolarHBondContact O-CB 3.2Å; D419-I423 WeakPolarHBondContact O-CD1 3.46Å; D419-I423 WeakPolarHBondContact O-CG1 3.1Å; D419-I423 PolarHBondContact O-N 2.92Å; M420-I423 PolarHBondContact O-N 3.47Å; I423-E425 VanDerWaalsContact C-N 3.32Å; I423-E425 PolarHBondContact O-N 3.41Å; I423-M426 HydrophobicContact CG1-CE 4.39Å; I423-M426 PolarHBondContact O-N 2.99Å; I423-E427 HydrophobicContact CG2-CG 4.49Å; I423-E427 WeakPolarHBondContact O-CB 3.34Å; I423-E427 WeakPolarHBondContact O-CG 3.5Å; I423-E427 PolarHBondContact O-N 3.08Å
424E78.6Confident69.1Low121 Ų121107 Ų10757%0.56559%0.592SS**Hα-helixtrans-62.7-38.9175.2-74178.217500112.1M420 E427 K428M420-E424 WeakPolarHBondContact O-CG 3.45Å; M420-E424 PolarHBondContact O-N 2.88Å; E424-E427 PolarHBondContact O-N 3.18Å; E424-K428 VanDerWaalsContact O-CB 3.31Å; E424-K428 WeakPolarHBondContact O-CB 3.45Å; E424-K428 PolarHBondContact O-N 3.26Å
425E77.4Confident71.1Confident118 Ų118103.3 Ų103.355%0.55157%0.569SS**Hα-helixtrans-66-38.8174.3-168.6174.9-163.300111.9G421 I423 K428 M429G421-E425 VanDerWaalsContact O-CB 3.27Å; G421-E425 WeakPolarHBondContact O-CB 3.35Å; G421-E425 PolarHBondContact O-N 3.22Å; I423-E425 VanDerWaalsContact C-N 3.32Å; I423-E425 PolarHBondContact O-N 3.41Å; E425-K428 PolarHBondContact O-N 3.19Å; E425-M429 HydrophobicContact CG-CE 4.3Å; E425-M429 WeakPolarHBondContact O-CB 3.26Å; E425-M429 WeakPolarHBondContact O-CG 3.03Å; E425-M429 PolarHBondContact O-N 2.88Å
426M76.6Confident73.4Confident111 Ų111103.5 Ų103.555%0.54755%0.554SS.*Hα-helixtrans-70.1-38.9175.9-170.9175.71100112.5K422 I423 K428 M429 L430K422-M426 WeakPolarHBondContact O-CB 3.43Å; K422-M426 PolarHBondContact O-N 3.47Å; I423-M426 HydrophobicContact CG1-CE 4.39Å; I423-M426 PolarHBondContact O-N 2.99Å; M426-K428 VanDerWaalsContact C-N 3.33Å; M426-M429 HydrophobicContact CB-CE 4.47Å; M426-M429 PolarHBondContact O-N 3.46Å; M426-L430 WeakPolarHBondContact O-CB 3.35Å; M426-L430 PolarHBondContact O-N 3.35Å
427E79.3Confident75.3Confident128 Ų128104.8 Ų104.860%0.59855%0.547SS*.Hα-helixtrans-64.9-39.2172.9-76.6-174.9171.400111.4I423 E424 L430 K431I423-E427 HydrophobicContact CG2-CG 4.49Å; I423-E427 WeakPolarHBondContact O-CB 3.34Å; I423-E427 WeakPolarHBondContact O-CG 3.5Å; I423-E427 PolarHBondContact O-N 3.08Å; E424-E427 PolarHBondContact O-N 3.18Å; E427-L430 PolarHBondContact O-N 3.22Å; E427-K431 WeakPolarHBondContact O-CB 3.32Å; E427-K431 PolarHBondContact O-N 3.44Å
428K85.6Confident76.6Confident132 Ų132105.5 Ų105.557%0.57453%0.532SS*.Hα-helixtrans-63.1-46.7172.4-173.3-176.7173.6-167.50111.3E424 E425 M426 L430 K431 E432E424-K428 VanDerWaalsContact O-CB 3.31Å; E424-K428 WeakPolarHBondContact O-CB 3.45Å; E424-K428 PolarHBondContact O-N 3.26Å; E425-K428 PolarHBondContact O-N 3.19Å; M426-K428 VanDerWaalsContact C-N 3.33Å; K428-L430 VanDerWaalsContact C-N 3.34Å; K428-L430 PolarHBondContact O-N 3.21Å; K428-K431 PolarHBondContact O-N 3.33Å; K428-E432 WeakPolarHBondContact CE-OE1 3.31Å; K428-E432 WeakPolarHBondContact O-CB 3.13Å; K428-E432 WeakPolarHBondContact O-CG 3.11Å; K428-E432 PolarHBondContact O-N 2.9Å
429M84.7Confident78.6Confident106 Ų106106.3 Ų106.352%0.52253%0.525SS..Hα-helixtrans-61.7-38.6175.3-77.7-171.1-71.400112.5E425 M426 E432 A433E425-M429 HydrophobicContact CG-CE 4.3Å; E425-M429 WeakPolarHBondContact O-CB 3.26Å; E425-M429 WeakPolarHBondContact O-CG 3.03Å; E425-M429 PolarHBondContact O-N 2.88Å; M426-M429 HydrophobicContact CB-CE 4.47Å; M426-M429 PolarHBondContact O-N 3.46Å; M429-E432 PolarHBondContact O-N 2.84Å; M429-A433 VanDerWaalsContact O-CB 3.26Å; M429-A433 WeakPolarHBondContact O-CB 3.2Å; M429-A433 PolarHBondContact O-N 3.13Å
430L80.3Confident80.1Confident105 Ų105107 Ų10755%0.5553%0.528SS..Hα-helixtrans-67-42.1177.3-164.983.2000111.1M426 E427 K428 A433 H434M426-L430 WeakPolarHBondContact O-CB 3.35Å; M426-L430 PolarHBondContact O-N 3.35Å; E427-L430 PolarHBondContact O-N 3.22Å; K428-L430 VanDerWaalsContact C-N 3.34Å; K428-L430 PolarHBondContact O-N 3.21Å; L430-A433 PolarHBondContact O-N 3.05Å; L430-H434 WeakPolarHBondContact O-CB 3.32Å; L430-H434 PolarHBondContact O-CD2 3.3Å; L430-H434 PolarHBondContact O-N 2.92Å
431K86.1Confident81.2Confident165 Ų165105.9 Ų105.972%0.71752%0.522SS*.Hα-helixtrans-66.1-40176.8-167.1174.1-176.11760111.7E427 K428 H434 A435E427-K431 WeakPolarHBondContact O-CB 3.32Å; E427-K431 PolarHBondContact O-N 3.44Å; K428-K431 PolarHBondContact O-N 3.33Å; K431-H434 PolarHBondContact O-N 3.38Å; K431-A435 WeakPolarHBondContact O-CB 3.3Å; K431-A435 PolarHBondContact O-N 2.93Å
432E85.3Confident82.2Confident108 Ų108108 Ų10851%0.50552%0.52SS..Hα-helixtrans-65.3-42.4172.9-75.4176-174.700111.4K428 M429 H434 A435 E436K428-E432 WeakPolarHBondContact CE-OE1 3.31Å; K428-E432 WeakPolarHBondContact O-CB 3.13Å; K428-E432 WeakPolarHBondContact O-CG 3.11Å; K428-E432 PolarHBondContact O-N 2.9Å; M429-E432 PolarHBondContact O-N 2.84Å; E432-H434 PolarHBondContact O-N 3.44Å; E432-A435 PolarHBondContact O-N 3.29Å; E432-E436 WeakPolarHBondContact O-CB 3.28Å; E432-E436 PolarHBondContact O-N 3Å
433A85.1Confident83.2Confident57 Ų57105 Ų10547%0.47152%0.515SS..Hα-helixtrans-64.9-37.8175.900000112.8M429 L430 E436 K437M429-A433 VanDerWaalsContact O-CB 3.26Å; M429-A433 WeakPolarHBondContact O-CB 3.2Å; M429-A433 PolarHBondContact O-N 3.13Å; L430-A433 PolarHBondContact O-N 3.05Å; A433-E436 PolarHBondContact O-N 3.35Å; A433-K437 WeakPolarHBondContact O-CB 3.41Å; A433-K437 PolarHBondContact O-N 3.44Å
434H75.5Confident83.8Confident102 Ų102110.2 Ų110.247%0.47253%0.53SS..Hα-helixtrans-67.6-40.2173-81.5-61.5000112.2L430 K431 E432 E436 K437 N438L430-H434 WeakPolarHBondContact O-CB 3.32Å; L430-H434 PolarHBondContact O-CD2 3.3Å; L430-H434 PolarHBondContact O-N 2.92Å; K431-H434 PolarHBondContact O-N 3.38Å; E432-H434 PolarHBondContact O-N 3.44Å; H434-E436 VanDerWaalsContact C-N 3.34Å; H434-K437 PolarHBondContact O-N 3.39Å; H434-N438 VanDerWaalsContact O-CG 3.25Å; H434-N438 PolarHBondContact O-N 2.89Å
435A88.6Confident84.3Confident40 Ų40110.9 Ų110.933%0.33153%0.534SS..Hα-helixtrans-64.1-40.7173.700000111.6K431 E432 N438 R439K431-A435 WeakPolarHBondContact O-CB 3.3Å; K431-A435 PolarHBondContact O-N 2.93Å; E432-A435 PolarHBondContact O-N 3.29Å; A435-N438 PolarHBondContact O-N 3.19Å; A435-R439 WeakPolarHBondContact O-CG 3.32Å; A435-R439 PolarHBondContact O-N 2.93Å
436E86.1Confident84.9Confident97 Ų97112.3 Ų112.345%0.45353%0.534SS..Hα-helixtrans-67.2-42.3177.5-163.565.2-162.200111.6E432 A433 H434 N438 R439 L440E432-E436 WeakPolarHBondContact O-CB 3.28Å; E432-E436 PolarHBondContact O-N 3Å; A433-E436 PolarHBondContact O-N 3.35Å; H434-E436 VanDerWaalsContact C-N 3.34Å; E436-N438 VanDerWaalsContact C-N 3.32Å; E436-N438 PolarHBondContact O-N 2.95Å; E436-R439 PolarHBondContact O-N 3.35Å; E436-R439 IonicContact OE2-NH1 3.11Å; E436-R439 PolarHBondContact OE2-NH1 3.12Å; E436-L440 WeakPolarHBondContact O-CB 3.37Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 2.93Å
437K83.6Confident85.3Confident129 Ų129113.2 Ų113.256%0.56154%0.537SS*.Hα-helixtrans-58.4-43.1172.5-179.7-176.5173.6178.80111.6A433 H434 L440 M441A433-K437 WeakPolarHBondContact O-CB 3.41Å; A433-K437 PolarHBondContact O-N 3.44Å; H434-K437 PolarHBondContact O-N 3.39Å; K437-L440 PolarHBondContact O-N 3.31Å; K437-M441 WeakPolarHBondContact O-CG 3.49Å; K437-M441 PolarHBondContact O-N 3.08Å
438N80.9Confident85.6Confident97 Ų97113.1 Ų113.152%0.51954%0.538SS..Hα-helixtrans-66.6-41.9178.4-71.2-9.8000111.4H434 A435 E436 L440 M441 E442H434-N438 VanDerWaalsContact O-CG 3.25Å; H434-N438 PolarHBondContact O-N 2.89Å; A435-N438 PolarHBondContact O-N 3.19Å; E436-N438 VanDerWaalsContact C-N 3.32Å; E436-N438 PolarHBondContact O-N 2.95Å; N438-L440 VanDerWaalsContact C-N 3.33Å; N438-L440 PolarHBondContact O-N 3.44Å; N438-M441 PolarHBondContact O-N 3.48Å; N438-E442 WeakPolarHBondContact O-CG 3.41Å; N438-E442 PolarHBondContact O-N 2.96Å
439R92.8Very high85.8Confident159 Ų159110.1 Ų110.160%0.653%0.526SS*.Hα-helixtrans-60.4-41.1173.7-72.5172.6-178.2168.8-1112.5A435 E436 E442 S443A435-R439 WeakPolarHBondContact O-CG 3.32Å; A435-R439 PolarHBondContact O-N 2.93Å; E436-R439 PolarHBondContact O-N 3.35Å; E436-R439 IonicContact OE2-NH1 3.11Å; E436-R439 PolarHBondContact OE2-NH1 3.12Å; R439-E442 PolarHBondContact O-N 3.44Å; R439-S443 WeakPolarHBondContact O-CB 3.35Å; R439-S443 PolarHBondContact O-N 3.36Å
440L88.4Confident86.1Confident108 Ų108110.5 Ų110.557%0.56553%0.53SS*.Hα-helixtrans-66.8-40.2176.8-77.1168000112.2E436 K437 N438 S443 R444E436-L440 WeakPolarHBondContact O-CB 3.37Å; E436-L440 WeakPolarHBondContact O-CG 3.3Å; E436-L440 PolarHBondContact O-N 2.93Å; K437-L440 PolarHBondContact O-N 3.31Å; N438-L440 VanDerWaalsContact C-N 3.33Å; N438-L440 PolarHBondContact O-N 3.44Å; L440-S443 PolarHBondContact O-N 2.82Å; L440-R444 WeakPolarHBondContact O-CB 3.3Å; L440-R444 PolarHBondContact O-N 2.94Å
441M82.8Confident86.4Confident106 Ų106114.1 Ų114.152%0.52254%0.536SS..Hα-helixtrans-63.2-46174.8-75.5-64.5-62.600111.5K437 N438 S443 R444 E445K437-M441 WeakPolarHBondContact O-CG 3.49Å; K437-M441 PolarHBondContact O-N 3.08Å; N438-M441 PolarHBondContact O-N 3.48Å; M441-S443 VanDerWaalsContact C-N 3.32Å; M441-S443 PolarHBondContact O-N 3.34Å; M441-R444 PolarHBondContact O-N 2.98Å; M441-E445 WeakPolarHBondContact O-CB 3.42Å; M441-E445 PolarHBondContact O-N 3.36Å
442E89Confident86.3Confident93 Ų93111.6 Ų111.644%0.43552%0.522SS..Hα-helixtrans-62.1-39174.5-73.1-179.9-16300112.2N438 R439 E445 R446N438-E442 WeakPolarHBondContact O-CG 3.41Å; N438-E442 PolarHBondContact O-N 2.96Å; R439-E442 PolarHBondContact O-N 3.44Å; E442-E445 PolarHBondContact O-N 3.02Å; E442-R446 WeakPolarHBondContact O-CB 3.31Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.14Å; E442-R446 IonicContact OE2-CZ 3.72Å; E442-R446 IonicContact OE2-NH1 2.73Å; E442-R446 IonicContact OE2-NH2 2.65Å; E442-R446 PolarHBondContact OE2-NH2 2.84Å
443S89.4Confident86.5Confident64 Ų64110.4 Ų110.445%0.44852%0.517SS..Hα-helixtrans-63.8-43175.4-170.10000111.6R439 L440 M441 R446 E447R439-S443 WeakPolarHBondContact O-CB 3.35Å; R439-S443 PolarHBondContact O-N 3.36Å; L440-S443 PolarHBondContact O-N 2.82Å; M441-S443 VanDerWaalsContact C-N 3.32Å; M441-S443 PolarHBondContact O-N 3.34Å; S443-R446 PolarHBondContact O-N 2.9Å; S443-E447 WeakPolarHBondContact O-CB 3.46Å; S443-E447 PolarHBondContact O-N 3.29Å
444R84.1Confident86.7Confident168 Ų168110.3 Ų110.363%0.63452%0.516SS*.Hα-helixtrans-67.6-36.2178-172.4179.6-179.5-172.80112.1L440 M441 E447 M448L440-R444 WeakPolarHBondContact O-CB 3.3Å; L440-R444 PolarHBondContact O-N 2.94Å; M441-R444 PolarHBondContact O-N 2.98Å; R444-E447 PolarHBondContact O-N 2.78Å; R444-M448 WeakPolarHBondContact O-CB 3.28Å; R444-M448 PolarHBondContact O-N 3.4Å
445E88.7Confident87.2Confident136 Ų136110.9 Ų110.964%0.63652%0.521SS*.Hα-helixtrans-68.3-43.5175.4-171.4173.6-164.700111.3M441 E442 E447 M448 E449M441-E445 WeakPolarHBondContact O-CB 3.42Å; M441-E445 PolarHBondContact O-N 3.36Å; E442-E445 PolarHBondContact O-N 3.02Å; E445-E447 VanDerWaalsContact C-N 3.32Å; E445-E447 PolarHBondContact O-N 2.9Å; E445-M448 PolarHBondContact O-N 3.16Å; E445-E449 WeakPolarHBondContact O-CB 3.12Å; E445-E449 PolarHBondContact O-N 3.08Å
446R90.9Very high87.1Confident148 Ų148113.6 Ų113.656%0.55853%0.527SS*.Hα-helixtrans-60.6-41.1172.6-71.3175.9-164.5122.29.9112E442 S443 E449 L450E442-R446 WeakPolarHBondContact O-CB 3.31Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.14Å; E442-R446 IonicContact OE2-CZ 3.72Å; E442-R446 IonicContact OE2-NH1 2.73Å; E442-R446 IonicContact OE2-NH2 2.65Å; E442-R446 PolarHBondContact OE2-NH2 2.84Å; S443-R446 PolarHBondContact O-N 2.9Å; R446-E449 PolarHBondContact O-N 3.01Å; R446-L450 WeakPolarHBondContact O-CB 3.32Å; R446-L450 WeakPolarHBondContact O-CG 3.39Å; R446-L450 PolarHBondContact O-N 3.28Å
447E85.1Confident87.2Confident129 Ų129114.2 Ų114.260%0.60353%0.53SS*.Hα-helixtrans-65.1-42.7176.1-169.4-171.8157.900111.9S443 R444 E445 E449 L450 R451S443-E447 WeakPolarHBondContact O-CB 3.46Å; S443-E447 PolarHBondContact O-N 3.29Å; R444-E447 PolarHBondContact O-N 2.78Å; E445-E447 VanDerWaalsContact C-N 3.32Å; E445-E447 PolarHBondContact O-N 2.9Å; E447-E449 VanDerWaalsContact C-N 3.35Å; E447-L450 PolarHBondContact O-N 2.99Å; E447-R451 WeakPolarHBondContact O-CB 3.15Å; E447-R451 PolarHBondContact O-N 3.5Å
448M83.9Confident87.1Confident127 Ų127111.7 Ų111.763%0.62652%0.521SS*.Hα-helixtrans-63.1-41.8175.8-171-165.4-6000111.6R444 E445 R451 R452R444-M448 WeakPolarHBondContact O-CB 3.28Å; R444-M448 PolarHBondContact O-N 3.4Å; E445-M448 PolarHBondContact O-N 3.16Å; M448-R451 WeakPolarHBondContact O-CB 3.46Å; M448-R451 PolarHBondContact O-N 3.2Å; M448-R452 WeakPolarHBondContact O-CB 3.13Å; M448-R452 PolarHBondContact O-N 3.5Å
449E89.9Confident87.2Confident69 Ų69115 Ų11532%0.32253%0.526SS..Hα-helixtrans-67-41.6179.2-177.354.1-151.200111.5E445 R446 E447 R451 R452 Q453E445-E449 WeakPolarHBondContact O-CB 3.12Å; E445-E449 PolarHBondContact O-N 3.08Å; R446-E449 PolarHBondContact O-N 3.01Å; E447-E449 VanDerWaalsContact C-N 3.35Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 PolarHBondContact O-N 2.85Å; E449-R452 WeakPolarHBondContact O-CB 3.44Å; E449-R452 PolarHBondContact O-N 2.83Å; E449-R452 IonicContact OE1-CZ 3.98Å; E449-R452 IonicContact OE1-NE 3.54Å; E449-R452 PolarHBondContact OE1-NE 2.78Å; E449-R452 IonicContact OE1-NH2 3.92Å; E449-R452 PolarHBondContact OE1-NH2 2.85Å; E449-R452 IonicContact OE2-CZ 2.87Å; E449-R452 IonicContact OE2-NE 3.86Å; E449-R452 PolarHBondContact OE2-NE 3.33Å; E449-R452 IonicContact OE2-NH2 3.58Å; E449-R452 PolarHBondContact OE2-NH2 2.79Å; E449-Q453 WeakPolarHBondContact O-CG 3.47Å; E449-Q453 PolarHBondContact O-N 2.81Å; E449-Q453 PolarHBondContact OE1-NE2 2.72Å
450L91.8Very high87.1Confident114 Ų114116 Ų11660%0.59753%0.529SS*.Hα-helixtrans-60.9-41171.1-75.1170.2000111.8R446 E447 R452 Q453 A454R446-L450 WeakPolarHBondContact O-CB 3.32Å; R446-L450 WeakPolarHBondContact O-CG 3.39Å; R446-L450 PolarHBondContact O-N 3.28Å; E447-L450 PolarHBondContact O-N 2.99Å; L450-R452 VanDerWaalsContact C-N 3.35Å; L450-Q453 PolarHBondContact O-N 3.2Å; L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.23Å
451R86.8Confident87.1Confident181 Ų181118 Ų11868%0.68353%0.529SS*.Hα-helixtrans-65.6-38176.5-171.3173.9-178.7169.9-0.2111.8E447 M448 E449 A454 L455E447-R451 WeakPolarHBondContact O-CB 3.15Å; E447-R451 PolarHBondContact O-N 3.5Å; M448-R451 WeakPolarHBondContact O-CB 3.46Å; M448-R451 PolarHBondContact O-N 3.2Å; E449-R451 VanDerWaalsContact C-N 3.31Å; E449-R451 PolarHBondContact O-N 2.85Å; R451-A454 PolarHBondContact O-N 3Å; R451-L455 VanDerWaalsContact O-CG 3.31Å; R451-L455 WeakPolarHBondContact O-CG 3.48Å; R451-L455 PolarHBondContact O-N 3.38Å
452R84.3Confident86.8Confident111 Ų111120.8 Ų120.842%0.41953%0.534SS..Hα-helixtrans-64.2-46.5174.9-169.6-175.572.179.80.8111M448 E449 L450 A454 L455 E456M448-R452 WeakPolarHBondContact O-CB 3.13Å; M448-R452 PolarHBondContact O-N 3.5Å; E449-R452 WeakPolarHBondContact O-CB 3.44Å; E449-R452 PolarHBondContact O-N 2.83Å; E449-R452 IonicContact OE1-CZ 3.98Å; E449-R452 IonicContact OE1-NE 3.54Å; E449-R452 PolarHBondContact OE1-NE 2.78Å; E449-R452 IonicContact OE1-NH2 3.92Å; E449-R452 PolarHBondContact OE1-NH2 2.85Å; E449-R452 IonicContact OE2-CZ 2.87Å; E449-R452 IonicContact OE2-NE 3.86Å; E449-R452 PolarHBondContact OE2-NE 3.33Å; E449-R452 IonicContact OE2-NH2 3.58Å; E449-R452 PolarHBondContact OE2-NH2 2.79Å; L450-R452 VanDerWaalsContact C-N 3.35Å; R452-A454 PolarHBondContact O-N 3.38Å; R452-L455 PolarHBondContact O-N 2.89Å; R452-E456 IonicContact CZ-OE1 3.84Å; R452-E456 VanDerWaalsContact NH1-CD 3.34Å; R452-E456 IonicContact NH1-OE1 3.82Å; R452-E456 PolarHBondContact NH1-OE1 3.4Å; R452-E456 IonicContact NH1-OE2 2.93Å; R452-E456 PolarHBondContact NH1-OE2 2.95Å; R452-E456 PolarHBondContact O-N 2.79Å
453Q89.4Confident86.8Confident84 Ų84119.3 Ų119.339%0.39353%0.527SS..Hα-helixtrans-61.9-43.5176.6-70.6173.61000111.7E449 L450 L455 E456 E457E449-Q453 WeakPolarHBondContact O-CG 3.47Å; E449-Q453 PolarHBondContact O-N 2.81Å; E449-Q453 PolarHBondContact OE1-NE2 2.72Å; L450-Q453 PolarHBondContact O-N 3.2Å; Q453-L455 VanDerWaalsContact C-N 3.31Å; Q453-L455 PolarHBondContact O-N 3.5Å; Q453-E456 PolarHBondContact O-N 3.32Å; Q453-E457 WeakPolarHBondContact O-CG 3.32Å; Q453-E457 PolarHBondContact O-N 3.47Å
454A88.3Confident86.7Confident55 Ų55121.4 Ų121.446%0.45553%0.53SS..Hα-helixtrans-60.4-39.6175.800000112.5L450 R451 R452 E458L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.23Å; R451-A454 PolarHBondContact O-N 3Å; R452-A454 PolarHBondContact O-N 3.38Å; A454-E458 VanDerWaalsContact O-CB 3.31Å; A454-E458 WeakPolarHBondContact O-CB 3.41Å; A454-E458 PolarHBondContact O-N 2.87Å
455L86.1Confident86.8Confident113 Ų113118 Ų11859%0.59253%0.527SS*.Hα-helixtrans-68.2-37.8175.9-72.2170.4000112.4R451 R452 Q453 E458 R459R451-L455 VanDerWaalsContact O-CG 3.31Å; R451-L455 WeakPolarHBondContact O-CG 3.48Å; R451-L455 PolarHBondContact O-N 3.38Å; R452-L455 PolarHBondContact O-N 2.89Å; Q453-L455 VanDerWaalsContact C-N 3.31Å; Q453-L455 PolarHBondContact O-N 3.5Å; L455-E458 PolarHBondContact O-N 3.35Å; L455-R459 WeakPolarHBondContact O-CB 3.41Å; L455-R459 PolarHBondContact O-N 2.86Å
456E86.1Confident86.4Confident97 Ų97116.7 Ų116.745%0.45352%0.521SS..Hα-helixtrans-68-39.5175.4-76-178.6178.500112.4R452 Q453 R459 R460R452-E456 IonicContact CZ-OE1 3.84Å; R452-E456 VanDerWaalsContact NH1-CD 3.34Å; R452-E456 IonicContact NH1-OE1 3.82Å; R452-E456 PolarHBondContact NH1-OE1 3.4Å; R452-E456 IonicContact NH1-OE2 2.93Å; R452-E456 PolarHBondContact NH1-OE2 2.95Å; R452-E456 PolarHBondContact O-N 2.79Å; Q453-E456 PolarHBondContact O-N 3.32Å; E456-R459 PolarHBondContact O-N 2.93Å; E456-R460 WeakPolarHBondContact O-CB 3.25Å; E456-R460 WeakPolarHBondContact O-CG 3.47Å; E456-R460 PolarHBondContact O-N 2.7Å
457E89.1Confident86.3Confident110 Ų110116.6 Ų116.651%0.51452%0.521SS..Hα-helixtrans-64.6-43.2173.3-74.4-172.8174.600111.9Q453 R459 R460 R461Q453-E457 WeakPolarHBondContact O-CG 3.32Å; Q453-E457 PolarHBondContact O-N 3.47Å; E457-R459 VanDerWaalsContact C-N 3.34Å; E457-R459 PolarHBondContact O-N 3.49Å; E457-R460 PolarHBondContact O-N 3.48Å; E457-R461 WeakPolarHBondContact O-CG 3.02Å; E457-R461 PolarHBondContact O-N 3.21Å
458E81.3Confident86.4Confident77 Ų77119 Ų11936%0.3653%0.525SS..Hα-helixtrans-63.5-41.5176.6-172.959.7-159.200111.3A454 L455 R461 R462A454-E458 VanDerWaalsContact O-CB 3.31Å; A454-E458 WeakPolarHBondContact O-CB 3.41Å; A454-E458 PolarHBondContact O-N 2.87Å; L455-E458 PolarHBondContact O-N 3.35Å; E458-R461 PolarHBondContact O-N 2.96Å; E458-R462 WeakPolarHBondContact O-CG 3.28Å; E458-R462 PolarHBondContact O-N 3.38Å; E458-R462 IonicContact OE1-NE 3.61Å; E458-R462 IonicContact OE1-NH2 3.19Å
459R84.1Confident86.3Confident167 Ų167118.2 Ų118.263%0.6352%0.523SS*.Hα-helixtrans-60.6-46.2172.8-177.9-176.3166.6-177.84111.6L455 E456 E457 R461 R462 E463L455-R459 WeakPolarHBondContact O-CB 3.41Å; L455-R459 PolarHBondContact O-N 2.86Å; E456-R459 PolarHBondContact O-N 2.93Å; E457-R459 VanDerWaalsContact C-N 3.34Å; E457-R459 PolarHBondContact O-N 3.49Å; R459-R461 VanDerWaalsContact C-N 3.32Å; R459-R461 PolarHBondContact O-N 2.88Å; R459-R462 PolarHBondContact O-N 3.37Å; R459-E463 IonicContact CZ-OE1 3.11Å; R459-E463 IonicContact NE-OE1 2.73Å; R459-E463 PolarHBondContact NE-OE1 3.45Å; R459-E463 IonicContact NH2-OE1 3.52Å; R459-E463 PolarHBondContact NH2-OE1 3.44Å; R459-E463 WeakPolarHBondContact O-CG 3.41Å; R459-E463 PolarHBondContact O-N 2.95Å
460R89.9Confident85.8Confident179 Ų179120.4 Ų120.468%0.67553%0.533SS*.Hα-helixtrans-60.8-40.1176.7-83178.8160.3177.9-2.5112.3E456 E457 E463 Q464E456-R460 WeakPolarHBondContact O-CB 3.25Å; E456-R460 WeakPolarHBondContact O-CG 3.47Å; E456-R460 PolarHBondContact O-N 2.7Å; E457-R460 PolarHBondContact O-N 3.48Å; R460-E463 PolarHBondContact O-N 3.46Å; R460-Q464 WeakPolarHBondContact O-CG 3.36Å; R460-Q464 PolarHBondContact O-N 3.2Å
461R87.6Confident85.4Confident149 Ų149118.6 Ų118.656%0.56253%0.529SS*.Hα-helixtrans-62.6-45.3174.6-75.8179.2-178.6158.14.4111.2E457 E458 R459 E463 Q464 V465E457-R461 WeakPolarHBondContact O-CG 3.02Å; E457-R461 PolarHBondContact O-N 3.21Å; E458-R461 PolarHBondContact O-N 2.96Å; R459-R461 VanDerWaalsContact C-N 3.32Å; R459-R461 PolarHBondContact O-N 2.88Å; R461-E463 PolarHBondContact O-N 2.82Å; R461-Q464 PolarHBondContact O-N 3.04Å; R461-V465 WeakPolarHBondContact O-CG2 2.93Å; R461-V465 PolarHBondContact O-N 3.08Å
462R78Confident85Confident166 Ų166114.1 Ų114.163%0.62652%0.516SS*.Hα-helixtrans-60.3-45.2176.1-71.9176.8-175-170.4-0.1112.2E458 R459 Q464 V465 E466E458-R462 WeakPolarHBondContact O-CG 3.28Å; E458-R462 PolarHBondContact O-N 3.38Å; E458-R462 IonicContact OE1-NE 3.61Å; E458-R462 IonicContact OE1-NH2 3.19Å; R459-R462 PolarHBondContact O-N 3.37Å; R462-Q464 VanDerWaalsContact C-N 3.28Å; R462-Q464 PolarHBondContact O-N 3.25Å; R462-V465 PolarHBondContact O-N 2.8Å; R462-E466 WeakPolarHBondContact O-CB 3.4Å; R462-E466 PolarHBondContact O-N 3.42Å
463E87.8Confident84.6Confident62 Ų62111.7 Ų111.729%0.2952%0.517SS..Hα-helixtrans-64-30.3177.1-71.9175-173.300112.9R459 R460 R461 R467R459-E463 IonicContact CZ-OE1 3.11Å; R459-E463 IonicContact NE-OE1 2.73Å; R459-E463 PolarHBondContact NE-OE1 3.45Å; R459-E463 IonicContact NH2-OE1 3.52Å; R459-E463 PolarHBondContact NH2-OE1 3.44Å; R459-E463 WeakPolarHBondContact O-CG 3.41Å; R459-E463 PolarHBondContact O-N 2.95Å; R460-E463 PolarHBondContact O-N 3.46Å; R461-E463 PolarHBondContact O-N 2.82Å; E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 WeakPolarHBondContact O-CG 3.16Å; E463-R467 PolarHBondContact O-N 3.2Å; E463-R467 VanDerWaalsContact O-N 3.17Å; E463-R467 PolarHBondContact O-NE 3.33Å; E463-R467 VanDerWaalsContact O-NE 3.08Å; E463-R467 IonicContact OE2-NH2 2.73Å
464Q86.9Confident84.4Confident107 Ų107110 Ų11050%0.552%0.517SS..Hα-helixtrans-73.1-42.2173.4-74.5179.320.900112R460 R461 R462 R467 R468R460-Q464 WeakPolarHBondContact O-CG 3.36Å; R460-Q464 PolarHBondContact O-N 3.2Å; R461-Q464 PolarHBondContact O-N 3.04Å; R462-Q464 VanDerWaalsContact C-N 3.28Å; R462-Q464 PolarHBondContact O-N 3.25Å; Q464-R467 PolarHBondContact O-N 3.07Å; Q464-R468 WeakPolarHBondContact O-CG 3.39Å; Q464-R468 PolarHBondContact O-N 3.2Å
465V86.8Confident84.2Confident96 Ų96115.8 Ų115.858%0.58253%0.527SS*.Hα-helixtrans-64.7-42.2176.1173.30000110.6R461 R462 R467 R468 L469R461-V465 WeakPolarHBondContact O-CG2 2.93Å; R461-V465 PolarHBondContact O-N 3.08Å; R462-V465 PolarHBondContact O-N 2.8Å; V465-R467 PolarHBondContact O-N 3.17Å; V465-R468 PolarHBondContact O-N 3.46Å; V465-L469 WeakPolarHBondContact O-CB 3.45Å; V465-L469 PolarHBondContact O-N 3.49Å
466E81.4Confident83.5Confident109 Ų109118 Ų11851%0.50953%0.528SS..Hα-helixtrans-61.5-43.5176.4-173177.5-170.200111.7R462 R468 L469 Q470R462-E466 WeakPolarHBondContact O-CB 3.4Å; R462-E466 PolarHBondContact O-N 3.42Å; E466-R468 VanDerWaalsContact C-N 3.35Å; E466-R468 PolarHBondContact O-N 2.92Å; E466-L469 PolarHBondContact O-N 2.82Å; E466-Q470 WeakPolarHBondContact O-CB 3.48Å; E466-Q470 VanDerWaalsContact O-CG 3.3Å; E466-Q470 WeakPolarHBondContact O-CG 3.34Å; E466-Q470 PolarHBondContact O-N 3.21Å
467R88.9Confident83Confident147 Ų147119.7 Ų119.756%0.55554%0.535SS*.Hα-helixtrans-61.1-41.4173.7-82.7-179-83.9-143.8-5.4112.7E463 Q464 V465 Q470 S471E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 WeakPolarHBondContact O-CG 3.16Å; E463-R467 PolarHBondContact O-N 3.2Å; E463-R467 VanDerWaalsContact O-N 3.17Å; E463-R467 PolarHBondContact O-NE 3.33Å; E463-R467 VanDerWaalsContact O-NE 3.08Å; E463-R467 IonicContact OE2-NH2 2.73Å; Q464-R467 PolarHBondContact O-N 3.07Å; V465-R467 PolarHBondContact O-N 3.17Å; R467-Q470 PolarHBondContact O-N 3.42Å; R467-S471 WeakPolarHBondContact O-CB 3.37Å; R467-S471 PolarHBondContact O-N 3.44Å; R467-S471 PolarHBondContact O-OG 3.5Å
468R85.4Confident82.6Confident179 Ų179119.9 Ų119.968%0.67554%0.536SS*.Hα-helixtrans-63.3-45.9174.8-72.5178.4-175.6-166.12.5110.9Q464 V465 E466 Q470 S471 E472Q464-R468 WeakPolarHBondContact O-CG 3.39Å; Q464-R468 PolarHBondContact O-N 3.2Å; V465-R468 PolarHBondContact O-N 3.46Å; E466-R468 VanDerWaalsContact C-N 3.35Å; E466-R468 PolarHBondContact O-N 2.92Å; R468-Q470 PolarHBondContact O-N 2.93Å; R468-S471 PolarHBondContact O-N 2.91Å; R468-S471 PolarHBondContact O-OG 3.48Å; R468-E472 WeakPolarHBondContact O-CB 3.24Å; R468-E472 PolarHBondContact O-N 3.49Å
469L83.4Confident82.5Confident111 Ų111121 Ų12158%0.58154%0.544SS*.Hα-helixtrans-62.1-41.6177.8-17564.7000111.9V465 E466 E472 S473V465-L469 WeakPolarHBondContact O-CB 3.45Å; V465-L469 PolarHBondContact O-N 3.49Å; E466-L469 PolarHBondContact O-N 2.82Å; L469-E472 PolarHBondContact O-N 2.99Å; L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.3Å; L469-S473 PolarHBondContact O-N 3.24Å
470Q78.8Confident82Confident114 Ų114117.4 Ų117.453%0.53354%0.541SS..Hα-helixtrans-62.7-43.8174.5-74.7175.81.500111.6E466 R467 R468 E472 S473 A474E466-Q470 WeakPolarHBondContact O-CB 3.48Å; E466-Q470 VanDerWaalsContact O-CG 3.3Å; E466-Q470 WeakPolarHBondContact O-CG 3.34Å; E466-Q470 PolarHBondContact O-N 3.21Å; R467-Q470 PolarHBondContact O-N 3.42Å; R468-Q470 PolarHBondContact O-N 2.93Å; Q470-E472 VanDerWaalsContact C-N 3.35Å; Q470-E472 PolarHBondContact O-N 3.19Å; Q470-S473 PolarHBondContact O-N 3.25Å; Q470-A474 WeakPolarHBondContact O-CB 3.47Å; Q470-A474 PolarHBondContact O-N 2.67Å
471S83.3Confident81.4Confident76 Ų76115.2 Ų115.253%0.53154%0.538SS..Hα-helixtrans-65-38.1176.874.40000112.6R467 R468 R475R467-S471 WeakPolarHBondContact O-CB 3.37Å; R467-S471 PolarHBondContact O-N 3.44Å; R467-S471 PolarHBondContact O-OG 3.5Å; R468-S471 PolarHBondContact O-N 2.91Å; R468-S471 PolarHBondContact O-OG 3.48Å; S471-R475 WeakPolarHBondContact O-CB 3.33Å; S471-R475 PolarHBondContact O-N 3.43Å
472E78.8Confident80.9Confident87 Ų87114.6 Ų114.641%0.40754%0.539SS..Hα-helixtrans-70.6-41.2176.4-161.6-163.2140.700111.2R468 L469 Q470 R475 R476R468-E472 WeakPolarHBondContact O-CB 3.24Å; R468-E472 PolarHBondContact O-N 3.49Å; L469-E472 PolarHBondContact O-N 2.99Å; Q470-E472 VanDerWaalsContact C-N 3.35Å; Q470-E472 PolarHBondContact O-N 3.19Å; E472-R475 WeakPolarHBondContact O-CB 3.47Å; E472-R475 PolarHBondContact O-N 2.89Å; E472-R476 WeakPolarHBondContact O-CG 3.31Å; E472-R476 PolarHBondContact O-N 3.01Å; E472-R476 IonicContact OE1-CZ 2.83Å; E472-R476 IonicContact OE1-NE 2.67Å; E472-R476 PolarHBondContact OE1-NE 2.86Å; E472-R476 IonicContact OE1-NH2 3.01Å; E472-R476 PolarHBondContact OE1-NH2 3.5Å
473S76Confident80.5Confident61 Ų61110.6 Ų110.643%0.42753%0.528SS..Hα-helixtrans-61.6-45.7174.6-172.80000111.2L469 Q470 R475 R476 Q477L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.3Å; L469-S473 PolarHBondContact O-N 3.24Å; Q470-S473 PolarHBondContact O-N 3.25Å; S473-R475 VanDerWaalsContact C-N 3.31Å; S473-R475 PolarHBondContact O-N 3.02Å; S473-R476 PolarHBondContact O-N 2.88Å; S473-Q477 VanDerWaalsContact O-CB 3.3Å; S473-Q477 WeakPolarHBondContact O-CB 3.4Å; S473-Q477 PolarHBondContact O-N 2.86Å
474A84Confident79.5Confident49 Ų49110.7 Ų110.741%0.40553%0.533SS..Hα-helixtrans-60.2-40.9174.200000111.9Q470 Q477 Q478Q470-A474 WeakPolarHBondContact O-CB 3.47Å; Q470-A474 PolarHBondContact O-N 2.67Å; A474-Q477 PolarHBondContact O-N 3.49Å; A474-Q478 WeakPolarHBondContact O-CG 3.37Å; A474-Q478 PolarHBondContact O-N 3.18Å
475R84.4Confident78.9Confident176 Ų176112 Ų11266%0.66454%0.536SS*.Hα-helixtrans-64.9-43.7174.8-177.9178.9170.7177.7-2.4112.1S471 E472 S473 Q477 Q478 L479S471-R475 WeakPolarHBondContact O-CB 3.33Å; S471-R475 PolarHBondContact O-N 3.43Å; E472-R475 WeakPolarHBondContact O-CB 3.47Å; E472-R475 PolarHBondContact O-N 2.89Å; S473-R475 VanDerWaalsContact C-N 3.31Å; S473-R475 PolarHBondContact O-N 3.02Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 2.82Å; R475-Q478 PolarHBondContact O-N 3.33Å; R475-L479 WeakPolarHBondContact O-CG 3.44Å; R475-L479 PolarHBondContact O-N 3.09Å
476R72.4Confident77.8Confident160 Ų160112.5 Ų112.560%0.60453%0.534SS*.Hα-helixtrans-62.6-40174.5-73.6178.3-176.7-148.42.7110.9E472 S473 L479 V480E472-R476 WeakPolarHBondContact O-CG 3.31Å; E472-R476 PolarHBondContact O-N 3.01Å; E472-R476 IonicContact OE1-CZ 2.83Å; E472-R476 IonicContact OE1-NE 2.67Å; E472-R476 PolarHBondContact OE1-NE 2.86Å; E472-R476 IonicContact OE1-NH2 3.01Å; E472-R476 PolarHBondContact OE1-NH2 3.5Å; S473-R476 PolarHBondContact O-N 2.88Å; R476-L479 WeakPolarHBondContact O-CB 3.36Å; R476-L479 PolarHBondContact O-N 3.19Å; R476-V480 WeakPolarHBondContact O-CG2 3.48Å; R476-V480 PolarHBondContact O-N 3.21Å
477Q74.6Confident76.2Confident131 Ų131114.2 Ų114.261%0.61254%0.536SS*.Hα-helixtrans-68.1-38.5178.4-162.314910.700111.9S473 A474 R475 L479 V480 E481S473-Q477 VanDerWaalsContact O-CB 3.3Å; S473-Q477 WeakPolarHBondContact O-CB 3.4Å; S473-Q477 PolarHBondContact O-N 2.86Å; A474-Q477 PolarHBondContact O-N 3.49Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 2.82Å; Q477-L479 VanDerWaalsContact C-N 3.34Å; Q477-L479 PolarHBondContact O-N 3.37Å; Q477-V480 PolarHBondContact O-N 2.7Å; Q477-E481 VanDerWaalsContact O-CB 3.32Å; Q477-E481 WeakPolarHBondContact O-CB 3.23Å; Q477-E481 PolarHBondContact O-N 2.61Å
478Q81.9Confident74.5Confident115 Ų115112.9 Ų112.954%0.53754%0.536SS..Hα-helixtrans-64.3-36.3170-75.5-1800.400112.8A474 R475 E481 K482A474-Q478 WeakPolarHBondContact O-CG 3.37Å; A474-Q478 PolarHBondContact O-N 3.18Å; R475-Q478 PolarHBondContact O-N 3.33Å; Q478-E481 PolarHBondContact O-N 2.69Å; Q478-K482 VanDerWaalsContact O-CB 3.31Å; Q478-K482 WeakPolarHBondContact O-CB 3.43Å; Q478-K482 VanDerWaalsContact O-CG 3.24Å; Q478-K482 WeakPolarHBondContact O-CG 3.39Å; Q478-K482 PolarHBondContact O-N 3.28Å
479L78.1Confident72.9Confident100 Ų100110.8 Ų110.852%0.52453%0.531SS..Hα-helixtrans-67.6-41.8174.1-72169.8000111.3R475 R476 Q477 K482 E483R475-L479 WeakPolarHBondContact O-CG 3.44Å; R475-L479 PolarHBondContact O-N 3.09Å; R476-L479 WeakPolarHBondContact O-CB 3.36Å; R476-L479 PolarHBondContact O-N 3.19Å; Q477-L479 VanDerWaalsContact C-N 3.34Å; Q477-L479 PolarHBondContact O-N 3.37Å; L479-K482 PolarHBondContact O-N 3.13Å; L479-E483 VanDerWaalsContact O-CB 3.3Å; L479-E483 WeakPolarHBondContact O-CB 3.35Å; L479-E483 PolarHBondContact O-N 3.27Å
480V74.2Confident70.9Confident92 Ų92111.5 Ų111.556%0.55853%0.532SS*.Hα-helixtrans-63.5-43173.4171.10000110.6R476 Q477 E483 V484R476-V480 WeakPolarHBondContact O-CG2 3.48Å; R476-V480 PolarHBondContact O-N 3.21Å; Q477-V480 PolarHBondContact O-N 2.7Å; V480-E483 CarbonylContact O-C 3.59Å; V480-E483 PolarHBondContact O-N 3.36Å; V480-V484 HydrophobicContact CG1-CG2 4.14Å; V480-V484 VanDerWaalsContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 WeakPolarHBondContact O-CG2 3.37Å; V480-V484 PolarHBondContact O-N 3.09Å
481E77.4Confident69Low132 Ų132114.3 Ų114.362%0.61754%0.543SS*.Hα-helixtrans-66.4-39.6177.3-170.4177.8-176.400111.5Q477 Q478 V484 K485Q477-E481 VanDerWaalsContact O-CB 3.32Å; Q477-E481 WeakPolarHBondContact O-CB 3.23Å; Q477-E481 PolarHBondContact O-N 2.61Å; Q478-E481 PolarHBondContact O-N 2.69Å; E481-V484 PolarHBondContact O-N 3.39Å; E481-K485 WeakPolarHBondContact O-CB 3.41Å; E481-K485 PolarHBondContact O-N 2.84Å
482K76.3Confident67.2Low136 Ų136115.6 Ų115.659%0.59155%0.552SS**Hα-helixtrans-62.3-44.1171.2-77.9175.8-179.3-179.60111.5Q478 L479 K485 M486Q478-K482 VanDerWaalsContact O-CB 3.31Å; Q478-K482 WeakPolarHBondContact O-CB 3.43Å; Q478-K482 VanDerWaalsContact O-CG 3.24Å; Q478-K482 WeakPolarHBondContact O-CG 3.39Å; Q478-K482 PolarHBondContact O-N 3.28Å; L479-K482 PolarHBondContact O-N 3.13Å; K482-K485 PolarHBondContact O-N 2.73Å; K482-M486 WeakPolarHBondContact O-CB 3.41Å; K482-M486 WeakPolarHBondContact O-CG 3.49Å; K482-M486 PolarHBondContact O-N 3.11Å
483E69.3Low65.6Low83 Ų83119.4 Ų119.439%0.38857%0.57SS.*Hα-helixtrans-67.3-41.9177.5-175.564.8-163.100111.9L479 V480 K485 M486 R487L479-E483 VanDerWaalsContact O-CB 3.3Å; L479-E483 WeakPolarHBondContact O-CB 3.35Å; L479-E483 PolarHBondContact O-N 3.27Å; V480-E483 CarbonylContact O-C 3.59Å; V480-E483 PolarHBondContact O-N 3.36Å; E483-K485 VanDerWaalsContact C-N 3.34Å; E483-M486 WeakPolarHBondContact O-CB 3.47Å; E483-M486 PolarHBondContact O-N 3.28Å; E483-R487 WeakPolarHBondContact O-CB 3.36Å; E483-R487 WeakPolarHBondContact O-CG 3.46Å; E483-R487 PolarHBondContact O-N 3.36Å; E483-R487 IonicContact OE1-CZ 2.67Å; E483-R487 IonicContact OE1-NE 3.44Å; E483-R487 PolarHBondContact OE1-NE 2.93Å; E483-R487 IonicContact OE1-NH1 3.85Å; E483-R487 IonicContact OE1-NH2 2.84Å; E483-R487 PolarHBondContact OE1-NH2 2.9Å
484V68.3Low63.8Low64 Ų64119.1 Ų119.139%0.38857%0.571SS.*Hα-helixtrans-63.2-42.6173.8168.10000109.7V480 E481 M486 R487 E488V480-V484 HydrophobicContact CG1-CG2 4.14Å; V480-V484 VanDerWaalsContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CB 3.47Å; V480-V484 WeakPolarHBondContact O-CG2 3.37Å; V480-V484 PolarHBondContact O-N 3.09Å; E481-V484 PolarHBondContact O-N 3.39Å; V484-M486 VanDerWaalsContact C-N 3.34Å; V484-M486 PolarHBondContact O-N 2.87Å; V484-R487 CarbonylContact O-C 3.51Å; V484-R487 PolarHBondContact O-N 3.41Å; V484-E488 HydrophobicContact CG1-CG 4.22Å; V484-E488 VanDerWaalsContact O-CB 3.32Å; V484-E488 WeakPolarHBondContact O-CB 3.47Å; V484-E488 WeakPolarHBondContact O-CG 3.37Å; V484-E488 PolarHBondContact O-N 3.3Å
485K72.8Confident62Low133 Ų133121.2 Ų121.258%0.57857%0.568SS**Hα-helixtrans-67.4-33.9176.3-167.8172.8-172.3172.20112.4E481 K482 E483 K489E481-K485 WeakPolarHBondContact O-CB 3.41Å; E481-K485 PolarHBondContact O-N 2.84Å; K482-K485 PolarHBondContact O-N 2.73Å; E483-K485 VanDerWaalsContact C-N 3.34Å; K485-K489 WeakPolarHBondContact O-CB 3.42Å; K485-K489 WeakPolarHBondContact O-CG 3.32Å; K485-K489 PolarHBondContact O-N 3.11Å
486M63.4Low59.9Low107 Ų107115.7 Ų115.753%0.52756%0.556SS.*Hα-helixtrans-67.5-42.2170.8-74.3-70.7-73.500111.1K482 E483 V484 K489 Q490K482-M486 WeakPolarHBondContact O-CB 3.41Å; K482-M486 WeakPolarHBondContact O-CG 3.49Å; K482-M486 PolarHBondContact O-N 3.11Å; E483-M486 WeakPolarHBondContact O-CB 3.47Å; E483-M486 PolarHBondContact O-N 3.28Å; V484-M486 VanDerWaalsContact C-N 3.34Å; V484-M486 PolarHBondContact O-N 2.87Å; M486-K489 PolarHBondContact O-N 3.21Å; M486-Q490 WeakPolarHBondContact O-CB 3.22Å; M486-Q490 PolarHBondContact O-N 3.44Å
487R49.3Very low58.3Low146 Ų146115.6 Ų115.655%0.55157%0.566SS**Hα-helixtrans-70.8-34175.2-74.7-173.3-175.912810.8113.1E483 V484 Q490 F491E483-R487 WeakPolarHBondContact O-CB 3.36Å; E483-R487 WeakPolarHBondContact O-CG 3.46Å; E483-R487 PolarHBondContact O-N 3.36Å; E483-R487 IonicContact OE1-CZ 2.67Å; E483-R487 IonicContact OE1-NE 3.44Å; E483-R487 PolarHBondContact OE1-NE 2.93Å; E483-R487 IonicContact OE1-NH1 3.85Å; E483-R487 IonicContact OE1-NH2 2.84Å; E483-R487 PolarHBondContact OE1-NH2 2.9Å; V484-R487 CarbonylContact O-C 3.51Å; V484-R487 PolarHBondContact O-N 3.41Å; R487-Q490 CarbonylContact O-C 3.6Å; R487-Q490 PolarHBondContact O-N 2.93Å; R487-F491 WeakPolarHBondContact O-CA 3.41Å; R487-F491 WeakPolarHBondContact O-CB 3.05Å; R487-F491 PolarHBondContact O-N 3.35Å
488E52.4Low56.8Low118 Ų118114.7 Ų114.755%0.55157%0.569SS**Hα-helixtrans-70.5-40.1172.6-80.4-179162.100110.2V484 Q490 F491 S492V484-E488 HydrophobicContact CG1-CG 4.22Å; V484-E488 VanDerWaalsContact O-CB 3.32Å; V484-E488 WeakPolarHBondContact O-CB 3.47Å; V484-E488 WeakPolarHBondContact O-CG 3.37Å; V484-E488 PolarHBondContact O-N 3.3Å; E488-Q490 VanDerWaalsContact C-N 3.34Å; E488-F491 PolarHBondContact O-N 3.12Å; E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.45Å; E488-S492 PolarHBondContact O-OG 3.15Å
489K51.6Low55.2Low135 Ų135112.6 Ų112.659%0.58756%0.557SS**Hα-helixtrans-61.2-42.6168.7-86.7-176.4173.5-176.80111.5K485 M486 Q493K485-K489 WeakPolarHBondContact O-CB 3.42Å; K485-K489 WeakPolarHBondContact O-CG 3.32Å; K485-K489 PolarHBondContact O-N 3.11Å; M486-K489 PolarHBondContact O-N 3.21Å; K489-Q493 WeakPolarHBondContact O-CB 3.23Å; K489-Q493 WeakPolarHBondContact O-CG 3.46Å; K489-Q493 PolarHBondContact O-N 3.19Å; K489-Q493 VanDerWaalsContact O-N 3.09Å
490Q42.5Very low54Low127 Ų127112.9 Ų112.959%0.59355%0.552SS**Hα-helixtrans-69.2-32.4174.3-87.6178.4-13.800112.8M486 R487 E488 Q493 A494M486-Q490 WeakPolarHBondContact O-CB 3.22Å; M486-Q490 PolarHBondContact O-N 3.44Å; R487-Q490 CarbonylContact O-C 3.6Å; R487-Q490 PolarHBondContact O-N 2.93Å; E488-Q490 VanDerWaalsContact C-N 3.34Å; Q490-Q493 CarbonylContact O-C 3.58Å; Q490-Q493 PolarHBondContact O-N 3.25Å; Q490-A494 WeakPolarHBondContact O-CA 3.36Å; Q490-A494 WeakPolarHBondContact O-CB 3.48Å; Q490-A494 PolarHBondContact O-N 2.92Å
491F38.2Very low53.1Low172 Ų172112 Ų11275%0.75454%0.544SS*.Hα-helixtrans-79.8-29.5178.7-164.8-94.3000111.7R487 E488 Q493R487-F491 WeakPolarHBondContact O-CA 3.41Å; R487-F491 WeakPolarHBondContact O-CB 3.05Å; R487-F491 PolarHBondContact O-N 3.35Å; E488-F491 PolarHBondContact O-N 3.12Å; F491-Q493 VanDerWaalsContact C-N 3.29Å
492S46.3Very low52.5Low104 Ų104106.9 Ų106.973%0.72752%0.521SS*.Hα-helixtrans-71.5-25.5169-54.10000111.9E488E488-S492 WeakPolarHBondContact O-CB 3.19Å; E488-S492 PolarHBondContact O-N 3.45Å; E488-S492 PolarHBondContact O-OG 3.15Å
493Q44Very low52Low167 Ų167102.7 Ų102.778%0.7851%0.505SS*.Hα-helixtrans-95.7-18.3173.2-70.3-171.46.400113.5K489 Q490 F491 R495K489-Q493 WeakPolarHBondContact O-CB 3.23Å; K489-Q493 WeakPolarHBondContact O-CG 3.46Å; K489-Q493 PolarHBondContact O-N 3.19Å; K489-Q493 VanDerWaalsContact O-N 3.09Å; Q490-Q493 CarbonylContact O-C 3.58Å; Q490-Q493 PolarHBondContact O-N 3.25Å; F491-Q493 VanDerWaalsContact C-N 3.29Å; Q493-R495 PolarHBondContact O-N 2.92Å
494A37.6Very low51.8Low55 Ų55105.6 Ų105.646%0.45551%0.513SS..SBendtrans-80.1114.6174.800000108.8Q490Q490-A494 WeakPolarHBondContact O-CA 3.36Å; Q490-A494 WeakPolarHBondContact O-CB 3.48Å; Q490-A494 PolarHBondContact O-N 2.92Å
495R47.7Very low51.9Low92 Ų92109.4 Ų109.435%0.34752%0.524SS..  trans-58127.7173.5-67172.9171-152.1-15.3108.8Q493 L497 Y500 D627Q493-R495 PolarHBondContact O-N 2.92Å; R495-L497 PolarHBondContact O-N 3.4Å; R495-Y500 VanDerWaalsContact CD-OH 3.32Å; R495-Y500 WeakPolarHBondContact CD-OH 3.32Å; R495-D627 IonicContact CZ-OD1 3.49Å; R495-D627 VanDerWaalsContact CZ-OD1 3.23Å; R495-D627 IonicContact CZ-OD2 3.62Å; R495-D627 IonicContact NH1-OD1 3.43Å; R495-D627 PolarHBondContact NH1-OD1 2.73Å; R495-D627 IonicContact NH1-OD2 2.67Å; R495-D627 IonicContact NH2-OD1 2.78Å; R495-D627 PolarHBondContact NH2-OD1 3.3Å; R495-D627 VanDerWaalsContact NH2-OD1 3.08Å; R495-D627 IonicContact NH2-OD2 3.94Å; R495-D627 PolarHBondContact NH2-OD2 2.73Å
496P39.6Very low51.5Low61 Ų61111.7 Ų111.740%0.39654%0.536SS..  trans-53.6127.3171.4-23.532.2000109.6T498 R499P496-T498 WeakPolarHBondContact CB-OG1 3.21Å; P496-T498 PolarHBondContact O-N 2.85Å; P496-R499 PolarHBondContact O-N 3.12Å
497L38.5Very low52.1Low158 Ų158112.9 Ų112.983%0.82755%0.545SS*.G310 helixtrans-55.2-18.6176.3-92.593.4000112.7R495 R499R495-L497 PolarHBondContact O-N 3.4Å; L497-R499 VanDerWaalsContact C-N 3.26Å; L497-R499 PolarHBondContact O-N 3.33Å
498T43Very low53.7Low111 Ų111106.8 Ų106.868%0.68152%0.523SS*.G310 helixtrans-72.1-9.7176.7520000114.7P496P496-T498 WeakPolarHBondContact CB-OG1 3.21Å; P496-T498 PolarHBondContact O-N 2.85Å
499R49.3Very low55.4Low71 Ų71104.1 Ų104.127%0.26851%0.512SS..G310 helixtrans-82.6-11.2177.4-89.8-168.9169.9110.37.8115.3P496 L497 L501 S516 S517P496-R499 PolarHBondContact O-N 3.12Å; L497-R499 VanDerWaalsContact C-N 3.26Å; L497-R499 PolarHBondContact O-N 3.33Å; R499-L501 VanDerWaalsContact C-N 3.3Å; R499-S516 PolarHBondContact NH2-O 3.28Å; R499-S516 PolarHBondContact NH2-OG 3.46Å; R499-S517 VanDerWaalsContact CZ-CA 3.46Å; R499-S517 PolarHBondContact NE-OG 3.47Å; R499-S517 VanDerWaalsContact NH2-CA 3.34Å; R499-S517 PolarHBondContact NH2-OG 2.88Å
500Y52.8Low57.3Low107 Ų10797.7 Ų97.742%0.4248%0.484SS..G310 helixtrans-89.23.8179.9-59.9-80.9000113.2R495 V630R495-Y500 VanDerWaalsContact CD-OH 3.32Å; R495-Y500 WeakPolarHBondContact CD-OH 3.32Å; Y500-V630 HydrophobicContact CD1-CG1 3.92Å
501L56Low59.6Low74 Ų7494.6 Ų94.639%0.38747%0.469SS..SBendtrans-90.3135.6178.3-66.8177.9000111R499 I503 M640R499-L501 VanDerWaalsContact C-N 3.3Å; L501-I503 PolarHBondContact O-N 3.42Å; L501-M640 HydrophobicContact CD2-CE 3.72Å
502P63Low62Low23 Ų2390.1 Ų90.115%0.14946%0.456CS..  trans-57.9123.9179.8-19.528.6000111.7R504 A633 E634 T637P502-R504 PolarHBondContact O-N 3.48Å; P502-A633 WeakPolarHBondContact CB-O 3.39Å; P502-A633 WeakPolarHBondContact CG-O 3.12Å; P502-E634 HydrophobicContact CB-CG 4.02Å; P502-E634 HydrophobicContact CG-CG 4.45Å; P502-T637 HydrophobicContact CG-CG2 4.28Å
503I67.2Low64Low49 Ų4986.5 Ų86.525%0.25143%0.427SS..  trans-93.7102.9-177.9-54.5176.3000110.3L501 F508 H513 R557 T631L501-I503 PolarHBondContact O-N 3.42Å; I503-F508 HydrophobicContact CB-CD2 4.04Å; I503-F508 HydrophobicContact CB-CE2 3.89Å; I503-F508 HydrophobicContact CB-CZ 4.43Å; I503-F508 HydrophobicContact CD1-CD2 4.42Å; I503-F508 HydrophobicContact CD1-CE2 3.61Å; I503-F508 HydrophobicContact CD1-CZ 4.23Å; I503-F508 HydrophobicContact CG1-CE2 4.35Å; I503-F508 HydrophobicContact CG2-CD2 3.34Å; I503-F508 HydrophobicContact CG2-CE2 3.63Å; I503-F508 HydrophobicContact CG2-CG 4.09Å; I503-H513 WeakPolarHBondContact CD1-CE1 3.35Å; I503-R557 PolarHBondContact O-NH2 3.43Å; I503-T631 PolarHBondContact N-O 3.25Å
504R65.1Low66.1Low144 Ų14478.5 Ų78.554%0.54339%0.39SS..  trans-91.7-3.2-171.2-66.3-177.9171.3166.1-0.9116P502 E506 E634P502-R504 PolarHBondContact O-N 3.48Å; R504-E506 PolarHBondContact O-N 3.44Å; R504-E634 IonicContact NE-OE1 3.45Å; R504-E634 IonicContact NH2-OE2 3.44Å
505K69.4Low68.6Low144 Ų14479.1 Ų79.163%0.62638%0.383SS*.  trans-62.8132.6-175-54.2-172.8172.8-175.80111.7D507 F508 R557K505-D507 VanDerWaalsContact C-N 3.29Å; K505-D507 WeakPolarHBondContact CB-OD1 3.48Å; K505-D507 PolarHBondContact O-N 2.92Å; K505-F508 HydrophobicContact CB-CB 4.45Å; K505-F508 WeakPolarHBondContact O-CB 3.2Å; K505-F508 PolarHBondContact O-N 3.48Å; K505-R557 VanDerWaalsContact O-CZ 3.28Å; K505-R557 PolarHBondContact O-NH1 2.95Å; K505-R557 VanDerWaalsContact O-NH1 3.1Å; K505-R557 PolarHBondContact O-NH2 2.97Å
506E64Low70.3Confident180 Ų18078.2 Ų78.284%0.84139%0.391SS*.THydrogen-bonded Turntrans-65.6-34.5-175.9-69.5-174.8164.600112.5R504 F508 K532R504-E506 PolarHBondContact O-N 3.44Å; E506-F508 PolarHBondContact O-N 3.26Å; E506-K532 PolarHBondContact O-NZ 2.94Å
507D75.8Confident72.2Confident132 Ų13276.4 Ų76.471%0.70638%0.38SS*.THydrogen-bonded Turntrans-76.2-0.3176.566.7-23.4000114.4K505 D509K505-D507 VanDerWaalsContact C-N 3.29Å; K505-D507 WeakPolarHBondContact CB-OD1 3.48Å; K505-D507 PolarHBondContact O-N 2.92Å; D507-D509 PolarHBondContact O-N 2.83Å
508F83.6Confident74.3Confident19 Ų1972 Ų728%0.08337%0.373CS..  trans-59.2127.3-178.6177.5-96.9000113I503 K505 E506 L510 H513 K532 R557 T631I503-F508 HydrophobicContact CB-CD2 4.04Å; I503-F508 HydrophobicContact CB-CE2 3.89Å; I503-F508 HydrophobicContact CB-CZ 4.43Å; I503-F508 HydrophobicContact CD1-CD2 4.42Å; I503-F508 HydrophobicContact CD1-CE2 3.61Å; I503-F508 HydrophobicContact CD1-CZ 4.23Å; I503-F508 HydrophobicContact CG1-CE2 4.35Å; I503-F508 HydrophobicContact CG2-CD2 3.34Å; I503-F508 HydrophobicContact CG2-CE2 3.63Å; I503-F508 HydrophobicContact CG2-CG 4.09Å; K505-F508 HydrophobicContact CB-CB 4.45Å; K505-F508 WeakPolarHBondContact O-CB 3.2Å; K505-F508 PolarHBondContact O-N 3.48Å; E506-F508 PolarHBondContact O-N 3.26Å; F508-L510 HydrophobicContact CE1-CB 4.04Å; F508-L510 HydrophobicContact CE1-CD1 4.03Å; F508-H513 HydrophobicContact CE1-CB 4.29Å; F508-H513 HydrophobicContact CE2-CB 3.51Å; F508-H513 AromaticContact CE2-CG 3.49Å; F508-H513 VanDerWaalsContact CE2-CG 3.49Å; F508-H513 AromaticContact CE2-ND1 3.73Å; F508-H513 HydrophobicContact CZ-CB 3.32Å; F508-H513 AromaticContact CZ-CD2 3.64Å; F508-H513 AromaticContact CZ-CG 3.36Å; F508-K532 PolarHBondContact O-NZ 3.25Å; F508-R557 VanDerWaalsContact CD1-NE 3.25Å; F508-T631 HydrophobicContact CE1-CG2 3.66Å; F508-T631 HydrophobicContact CE2-CG2 4.36Å; F508-T631 HydrophobicContact CZ-CG2 3.37Å
509D89.2Confident76.4Confident61 Ų6167.3 Ų67.333%0.32634%0.343SS..  trans-100.4112.5171.7-171.6-40.8000110.4D507 K511 T512 H513 S531D507-D509 PolarHBondContact O-N 2.83Å; D509-K511 WeakPolarHBondContact OD1-CB 3.45Å; D509-K511 PolarHBondContact OD1-N 2.73Å; D509-T512 PolarHBondContact OD1-N 3.39Å; D509-H513 VanDerWaalsContact O-CB 3.29Å; D509-H513 WeakPolarHBondContact O-CB 3.45Å; D509-H513 PolarHBondContact O-N 2.69Å; D509-S531 WeakPolarHBondContact OD1-CA 3.3Å
510L90.3Very high78.1Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-63.4-42179.4-179.767.2000112.6F508 H513 I514 L529 S531 C534 F555 V628 T631F508-L510 HydrophobicContact CE1-CB 4.04Å; F508-L510 HydrophobicContact CE1-CD1 4.03Å; L510-H513 PolarHBondContact O-N 2.8Å; L510-I514 HydrophobicContact CD1-CD1 4.47Å; L510-I514 HydrophobicContact CD1-CG1 4.06Å; L510-I514 HydrophobicContact CG-CG1 4.4Å; L510-I514 VanDerWaalsContact O-CG1 3.24Å; L510-I514 WeakPolarHBondContact O-CG1 3.31Å; L510-I514 PolarHBondContact O-N 2.75Å; L510-L529 HydrophobicContact CD2-CD2 3.95Å; L510-L529 HydrophobicContact CG-CD2 4.12Å; L510-S531 VanDerWaalsContact CB-O 3.31Å; L510-S531 WeakPolarHBondContact CB-O 3.33Å; L510-S531 PolarHBondContact N-O 2.83Å; L510-C534 HydrophobicContact CD2-CB 4.08Å; L510-F555 HydrophobicContact CD1-CE1 4.34Å; L510-F555 HydrophobicContact CD2-CD1 3.91Å; L510-F555 HydrophobicContact CD2-CE1 3.89Å; L510-V628 HydrophobicContact CD1-CG2 4.36Å; L510-V628 HydrophobicContact CD2-CG1 4.49Å; L510-T631 HydrophobicContact CD1-CG2 4.29Å
511K91Very high79.5Confident63 Ų6360.9 Ų60.927%0.27433%0.329SS..Hα-helixtrans-63.9-51.7-177.8-176.9177.2-170.1-78.30109.4D509 H513 I514 E515 D522D509-K511 WeakPolarHBondContact OD1-CB 3.45Å; D509-K511 PolarHBondContact OD1-N 2.73Å; K511-H513 VanDerWaalsContact C-N 3.28Å; K511-H513 PolarHBondContact O-N 3.28Å; K511-I514 PolarHBondContact O-N 2.97Å; K511-E515 WeakPolarHBondContact CE-OE1 3.4Å; K511-E515 WeakPolarHBondContact CG-OE1 3.43Å; K511-E515 IonicContact NZ-OE1 3.11Å; K511-E515 PolarHBondContact NZ-OE1 2.97Å; K511-E515 WeakPolarHBondContact O-CG 3.3Å; K511-E515 PolarHBondContact O-N 2.91Å; K511-D522 IonicContact NZ-OD1 3.5Å
512T88.9Confident80.8Confident78 Ų7863.5 Ų63.548%0.47934%0.343SS..Hα-helixtrans-60.2-39.2178-56.30000111.6D509 S516D509-T512 PolarHBondContact OD1-N 3.39Å; T512-S516 VanDerWaalsContact O-CB 3.32Å; T512-S516 WeakPolarHBondContact O-CB 3.23Å; T512-S516 PolarHBondContact O-N 3.32Å; T512-S516 PolarHBondContact O-OG 3.01Å
513H87.7Confident81.7Confident27 Ų2767.9 Ų67.913%0.12537%0.37CS..Hα-helixtrans-63.3-46.9176.8178.770.8000112.6I503 F508 D509 L510 K511 S516 S517 T631I503-H513 WeakPolarHBondContact CD1-CE1 3.35Å; F508-H513 HydrophobicContact CE1-CB 4.29Å; F508-H513 HydrophobicContact CE2-CB 3.51Å; F508-H513 AromaticContact CE2-CG 3.49Å; F508-H513 VanDerWaalsContact CE2-CG 3.49Å; F508-H513 AromaticContact CE2-ND1 3.73Å; F508-H513 HydrophobicContact CZ-CB 3.32Å; F508-H513 AromaticContact CZ-CD2 3.64Å; F508-H513 AromaticContact CZ-CG 3.36Å; D509-H513 VanDerWaalsContact O-CB 3.29Å; D509-H513 WeakPolarHBondContact O-CB 3.45Å; D509-H513 PolarHBondContact O-N 2.69Å; L510-H513 PolarHBondContact O-N 2.8Å; K511-H513 VanDerWaalsContact C-N 3.28Å; K511-H513 PolarHBondContact O-N 3.28Å; H513-S516 PolarHBondContact O-N 2.93Å; H513-S516 PolarHBondContact O-OG 2.9Å; H513-S517 PolarHBondContact O-N 3.36Å; H513-S517 VanDerWaalsContact O-N 3.08Å; H513-S517 PolarHBondContact O-OG 3.31Å; H513-T631 PolarHBondContact NE2-OG1 2.82Å
514I89.3Confident82.7Confident0 Ų065.9 Ų65.90%036%0.36CS..Hα-helixtrans-66.7-40.5179.8-65-60.5000110.8L510 K511 S517 H519 V521 L529 I624 D627 V628L510-I514 HydrophobicContact CD1-CD1 4.47Å; L510-I514 HydrophobicContact CD1-CG1 4.06Å; L510-I514 HydrophobicContact CG-CG1 4.4Å; L510-I514 VanDerWaalsContact O-CG1 3.24Å; L510-I514 WeakPolarHBondContact O-CG1 3.31Å; L510-I514 PolarHBondContact O-N 2.75Å; K511-I514 PolarHBondContact O-N 2.97Å; I514-S517 WeakPolarHBondContact O-CA 3.43Å; I514-S517 VanDerWaalsContact O-CB 3.3Å; I514-S517 WeakPolarHBondContact O-CB 3.31Å; I514-S517 PolarHBondContact O-N 3.47Å; I514-H519 HydrophobicContact CG2-CB 3.86Å; I514-H519 PolarHBondContact O-CD2 2.84Å; I514-V521 HydrophobicContact CB-CG2 4.4Å; I514-V521 HydrophobicContact CG2-CG2 3.71Å; I514-L529 HydrophobicContact CG2-CD1 3.99Å; I514-I624 HydrophobicContact CG2-CG2 4.31Å; I514-D627 HydrophobicContact CD1-CB 4.01Å; I514-V628 HydrophobicContact CD1-CG2 3.65Å; I514-V628 HydrophobicContact CG1-CG2 3.82Å
515E89.6Confident83.9Confident67 Ų6766.7 Ų66.731%0.31337%0.374SS..Hα-helixtrans-61.7-45.1173.1-72.5171.2175.800112.1K511 S517 G518 V521K511-E515 WeakPolarHBondContact CE-OE1 3.4Å; K511-E515 WeakPolarHBondContact CG-OE1 3.43Å; K511-E515 IonicContact NZ-OE1 3.11Å; K511-E515 PolarHBondContact NZ-OE1 2.97Å; K511-E515 WeakPolarHBondContact O-CG 3.3Å; K511-E515 PolarHBondContact O-N 2.91Å; E515-S517 PolarHBondContact O-N 3.15Å; E515-S517 VanDerWaalsContact O-N 3.1Å; E515-G518 PolarHBondContact O-N 2.68Å; E515-V521 HydrophobicContact CG-CB 4.1Å; E515-V521 HydrophobicContact CG-CG2 3.69Å
516S82.8Confident85Confident73 Ų7364.1 Ų64.151%0.5136%0.364SS..Hα-helixtrans-61.2-22.1175.280.70000112.6R499 T512 H513 G518R499-S516 PolarHBondContact NH2-O 3.28Å; R499-S516 PolarHBondContact NH2-OG 3.46Å; T512-S516 VanDerWaalsContact O-CB 3.32Å; T512-S516 WeakPolarHBondContact O-CB 3.23Å; T512-S516 PolarHBondContact O-N 3.32Å; T512-S516 PolarHBondContact O-OG 3.01Å; H513-S516 PolarHBondContact O-N 2.93Å; H513-S516 PolarHBondContact O-OG 2.9Å; S516-G518 PolarHBondContact O-N 2.97Å
517S78.8Confident86.5Confident23 Ų2356 Ų5616%0.16133%0.327CS..THydrogen-bonded Turntrans-82.22.1177.2-52.80000113.5R499 H513 I514 E515R499-S517 VanDerWaalsContact CZ-CA 3.46Å; R499-S517 PolarHBondContact NE-OG 3.47Å; R499-S517 VanDerWaalsContact NH2-CA 3.34Å; R499-S517 PolarHBondContact NH2-OG 2.88Å; H513-S517 PolarHBondContact O-N 3.36Å; H513-S517 VanDerWaalsContact O-N 3.08Å; H513-S517 PolarHBondContact O-OG 3.31Å; I514-S517 WeakPolarHBondContact O-CA 3.43Å; I514-S517 VanDerWaalsContact O-CB 3.3Å; I514-S517 WeakPolarHBondContact O-CB 3.31Å; I514-S517 PolarHBondContact O-N 3.47Å; E515-S517 PolarHBondContact O-N 3.15Å; E515-S517 VanDerWaalsContact O-N 3.1Å
518G83.7Confident87.5Confident66 Ų6653.8 Ų53.868%0.6832%0.318SS*.THydrogen-bonded Turntrans9110.1172.900000114.3E515 S516E515-G518 PolarHBondContact O-N 2.68Å; S516-G518 PolarHBondContact O-N 2.97Å
519H87.4Confident88Confident12 Ų1253.9 Ų53.96%0.05632%0.319CS..  trans-83.5136176.7-60.6-69.1000111.2I514 V521 E620 I624 D627I514-H519 HydrophobicContact CG2-CB 3.86Å; I514-H519 PolarHBondContact O-CD2 2.84Å; H519-V521 VanDerWaalsContact C-N 3.29Å; H519-V521 HydrophobicContact CB-CG2 4.39Å; H519-V521 PolarHBondContact O-N 2.95Å; H519-E620 IonicContact ND1-OE1 3.93Å; H519-I624 HydrophobicContact CB-CD1 4.23Å; H519-I624 HydrophobicContact CB-CG1 3.79Å; H519-D627 IonicContact CD2-OD2 2.67Å; H519-D627 IonicContact CE1-OD2 3.86Å; H519-D627 PolarHBondContact CE1-OD2 3.48Å; H519-D627 IonicContact NE2-OD2 3.21Å; H519-D627 PolarHBondContact NE2-OD2 2.99Å
520G83.6Confident88.2Confident29 Ų2952.9 Ų52.930%0.29932%0.317SS..  trans-80.375.9172.600000110.1D522 T523 C524 E620G520-D522 VanDerWaalsContact C-N 3.25Å; G520-D522 PolarHBondContact O-N 3.31Å; G520-T523 PolarHBondContact O-N 2.95Å; G520-T523 PolarHBondContact O-OG1 2.89Å; G520-C524 PolarHBondContact O-N 2.91Å; G520-E620 PolarHBondContact N-OE1 3.43Å; G520-E620 VanDerWaalsContact N-OE1 3.13Å
521V83.9Confident88.3Confident15 Ų1555.4 Ų55.49%0.09134%0.335CS..G310 helixtrans-58.7-39.4-174.4177.30000111.8I514 E515 H519 T523 C524 L529I514-V521 HydrophobicContact CB-CG2 4.4Å; I514-V521 HydrophobicContact CG2-CG2 3.71Å; E515-V521 HydrophobicContact CG-CB 4.1Å; E515-V521 HydrophobicContact CG-CG2 3.69Å; H519-V521 VanDerWaalsContact C-N 3.29Å; H519-V521 HydrophobicContact CB-CG2 4.39Å; H519-V521 PolarHBondContact O-N 2.95Å; V521-T523 VanDerWaalsContact C-N 3.28Å; V521-T523 PolarHBondContact O-N 2.9Å; V521-C524 PolarHBondContact O-N 3.5Å; V521-L529 HydrophobicContact CB-CD1 4.29Å; V521-L529 HydrophobicContact CG1-CB 3.71Å; V521-L529 HydrophobicContact CG1-CD1 3.54Å; V521-L529 HydrophobicContact CG1-CG 4.24Å; V521-L529 HydrophobicContact CG2-CD1 3.78Å
522D81.8Confident88.4Confident129 Ų12954.4 Ų54.469%0.6933%0.33SS*.G310 helixtrans-72.8-19.6179.5-59-38.1000113.3K511 G520K511-D522 IonicContact NZ-OD1 3.5Å; G520-D522 VanDerWaalsContact C-N 3.25Å; G520-D522 PolarHBondContact O-N 3.31Å
523T82.8Confident88.7Confident115 Ų11551.5 Ų51.571%0.70631%0.312SS*.G310 helixtrans-92.3-12.7178.762.80000112.8G520 V521 L525G520-T523 PolarHBondContact O-N 2.95Å; G520-T523 PolarHBondContact O-OG1 2.89Å; V521-T523 VanDerWaalsContact C-N 3.28Å; V521-T523 PolarHBondContact O-N 2.9Å; T523-L525 PolarHBondContact O-N 3.38Å
524C88.3Confident89.1Confident7 Ų750.2 Ų50.25%0.04731%0.307CS..  trans-95.787.3-179.4-168.80000112.6G520 V521 H526 V527 E620 I624G520-C524 PolarHBondContact O-N 2.91Å; V521-C524 PolarHBondContact O-N 3.5Å; C524-H526 PolarHBondContact O-N 3.07Å; C524-V527 PolarHBondContact O-N 3.39Å; C524-E620 HydrophobicContact CB-CG 3.87Å; C524-I624 HydrophobicContact CB-CD1 3.73Å
525L90Very high89.5Confident161 Ų16153.3 Ų53.384%0.84332%0.318SS*.THydrogen-bonded Turntrans-62.8-10.4-179.3-59.2178.4000115.3T523T523-L525 PolarHBondContact O-N 3.38Å
526H93.3Very high89.9Confident89 Ų8950.1 Ų50.141%0.41230%0.303SS..THydrogen-bonded Turntrans-86.7-11.5-176.1-62100.7000113.8C524 P617 A621C524-H526 PolarHBondContact O-N 3.07Å; H526-P617 HydrophobicContact CB-CG 3.58Å; H526-A621 HydrophobicContact CB-CB 4.04Å
527V95.1Very high90.6Very high11 Ų1149.9 Ų49.97%0.06729%0.292CS..EExtended strand (participates in β ladder)trans-130.3134.6-175.3-174.60000109.4C524 L529 C534 R535 A621 I624C524-V527 PolarHBondContact O-N 3.39Å; V527-L529 HydrophobicContact CG1-CD1 4.2Å; V527-L529 HydrophobicContact CG1-CG 3.99Å; V527-C534 WeakPolarHBondContact CG1-SG 3.43Å; V527-R535 CarbonylContact C-O 3.47Å; V527-R535 WeakPolarHBondContact CA-O 3.28Å; V527-A621 HydrophobicContact CG2-CB 4.09Å; V527-I624 HydrophobicContact CG1-CG2 4.08Å; V527-I624 HydrophobicContact CG2-CG2 4.44Å
528V95.8Very high91.5Very high85 Ų8548.9 Ų48.952%0.51528%0.284SS..EExtended strand (participates in β ladder)trans-108.2111.1173.8-176.80000108.1C534 R535V528-C534 CarbonylContact O-C 3.59Å; V528-C534 WeakPolarHBondContact O-CA 3.39Å; V528-R535 HydrophobicContact CB-CB 4.41Å; V528-R535 PolarHBondContact N-O 2.92Å; V528-R535 PolarHBondContact O-N 3.45Å
529L94.7Very high92.2Very high20 Ų2047.7 Ų47.711%0.10526%0.264CS..EExtended strand (participates in β ladder)trans-109.5139.3-176.9-88162.4000111.7L510 I514 V521 V527 C534 I624 V628L510-L529 HydrophobicContact CD2-CD2 3.95Å; L510-L529 HydrophobicContact CG-CD2 4.12Å; I514-L529 HydrophobicContact CG2-CD1 3.99Å; V521-L529 HydrophobicContact CB-CD1 4.29Å; V521-L529 HydrophobicContact CG1-CB 3.71Å; V521-L529 HydrophobicContact CG1-CD1 3.54Å; V521-L529 HydrophobicContact CG1-CG 4.24Å; V521-L529 HydrophobicContact CG2-CD1 3.78Å; V527-L529 HydrophobicContact CG1-CD1 4.2Å; V527-L529 HydrophobicContact CG1-CG 3.99Å; L529-C534 HydrophobicContact CD2-CB 3.49Å; L529-C534 VanDerWaalsContact CD2-CB 3.49Å; L529-C534 HydrophobicContact CG-CB 4.29Å; L529-I624 HydrophobicContact CD1-CG2 3.75Å; L529-V628 HydrophobicContact CD2-CG2 4.11Å
530S93.8Very high92.5Very high41 Ų4147.6 Ų47.629%0.28726%0.263SS..  trans-136.8176.5173.763.60000109.2K532 V533S530-K532 PolarHBondContact O-N 3.24Å; S530-K532 VanDerWaalsContact O-N 3.07Å; S530-V533 PolarHBondContact N-O 2.97Å; S530-V533 WeakPolarHBondContact OG-CA 3.31Å; S530-V533 WeakPolarHBondContact OG-CB 3.36Å; S530-V533 PolarHBondContact OG-N 3.24Å; S530-V533 PolarHBondContact OG-O 3.44Å
531S92.1Very high93Very high53 Ų5347.5 Ų47.537%0.37126%0.256SS..SBendtrans-60.1-22.1-178.161.80000114.6D509 L510D509-S531 WeakPolarHBondContact OD1-CA 3.3Å; L510-S531 VanDerWaalsContact CB-O 3.31Å; L510-S531 WeakPolarHBondContact CB-O 3.33Å; L510-S531 PolarHBondContact N-O 2.83Å
532K92.1Very high93.2Very high42 Ų4247.4 Ų47.418%0.18326%0.257CS..SBendtrans-129.9-10.6-178.8-56.7-65.5178-172.90114.6E506 F508 S530 R557 L558E506-K532 PolarHBondContact O-NZ 2.94Å; F508-K532 PolarHBondContact O-NZ 3.25Å; S530-K532 PolarHBondContact O-N 3.24Å; S530-K532 VanDerWaalsContact O-N 3.07Å; K532-R557 HydrophobicContact CB-CB 4.39Å; K532-R557 WeakPolarHBondContact O-CB 3.31Å; K532-R557 PolarHBondContact O-N 3.28Å; K532-L558 HydrophobicContact CB-CG 4.31Å; K532-L558 HydrophobicContact CD-CD2 4.24Å; K532-L558 HydrophobicContact CG-CD2 4.47Å; K532-L558 HydrophobicContact CG-CG 4.34Å
533V95.2Very high93.3Very high17 Ų1742.6 Ų42.610%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-136.7139-170.7-165.40000111.4S530 R535 V554 F555S530-V533 PolarHBondContact N-O 2.97Å; S530-V533 WeakPolarHBondContact OG-CA 3.31Å; S530-V533 WeakPolarHBondContact OG-CB 3.36Å; S530-V533 PolarHBondContact OG-N 3.24Å; S530-V533 PolarHBondContact OG-O 3.44Å; V533-R535 HydrophobicContact CG1-CG 3.95Å; V533-R535 VanDerWaalsContact CG1-CZ 3.41Å; V533-V554 HydrophobicContact CG1-CG1 3.77Å; V533-F555 VanDerWaalsContact CA-O 3.26Å; V533-F555 WeakPolarHBondContact CA-O 3.42Å; V533-F555 WeakPolarHBondContact CG1-O 3.49Å
534C97.2Very high93.4Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-123.2131170.7176.70000109.2L510 V527 V528 L529 V554 F555 V628L510-C534 HydrophobicContact CD2-CB 4.08Å; V527-C534 WeakPolarHBondContact CG1-SG 3.43Å; V528-C534 CarbonylContact O-C 3.59Å; V528-C534 WeakPolarHBondContact O-CA 3.39Å; L529-C534 HydrophobicContact CD2-CB 3.49Å; L529-C534 VanDerWaalsContact CD2-CB 3.49Å; L529-C534 HydrophobicContact CG-CB 4.29Å; C534-V554 WeakPolarHBondContact O-CA 3.41Å; C534-F555 HydrophobicContact CB-CB 4.06Å; C534-F555 HydrophobicContact CB-CD1 4.47Å; C534-F555 PolarHBondContact N-O 2.84Å; C534-F555 PolarHBondContact O-N 3.44Å; C534-V628 HydrophobicContact CB-CG1 3.69Å; C534-V628 HydrophobicContact CB-CG2 4.2Å
535R97.8Very high93.2Very high65 Ų6553.2 Ų53.225%0.24528%0.278CS..EExtended strand (participates in β ladder)trans-132.5152.3-177.8-53.3-177.9167.679.1-1.2112V527 V528 V533 W552 F553 V554 E570V527-R535 CarbonylContact C-O 3.47Å; V527-R535 WeakPolarHBondContact CA-O 3.28Å; V528-R535 HydrophobicContact CB-CB 4.41Å; V528-R535 PolarHBondContact N-O 2.92Å; V528-R535 PolarHBondContact O-N 3.45Å; V533-R535 HydrophobicContact CG1-CG 3.95Å; V533-R535 VanDerWaalsContact CG1-CZ 3.41Å; R535-W552 HydrophobicContact CB-CH2 4.08Å; R535-W552 HydrophobicContact CB-CZ2 3.42Å; R535-W552 VanDerWaalsContact CB-CZ2 3.42Å; R535-W552 HydrophobicContact CG-CZ2 4.32Å; R535-F553 VanDerWaalsContact CA-O 3.27Å; R535-F553 WeakPolarHBondContact CA-O 3.42Å; R535-V554 HydrophobicContact CG-CB 4.43Å; R535-V554 HydrophobicContact CG-CG1 4.11Å; R535-V554 HydrophobicContact CG-CG2 4.07Å; R535-E570 VanDerWaalsContact CD-OE1 3.23Å; R535-E570 WeakPolarHBondContact CD-OE1 3.42Å; R535-E570 IonicContact CZ-OE1 2.68Å; R535-E570 IonicContact NE-OE1 3.01Å; R535-E570 PolarHBondContact NE-OE1 2.87Å; R535-E570 IonicContact NE-OE2 3.27Å
536G97.8Very high93.1Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans167.2168.7178.400000112.9W552 F553G536-W552 VanDerWaalsContact C-CE3 3.49Å; G536-W552 VanDerWaalsContact CA-CZ3 3.47Å; G536-F553 PolarHBondContact N-O 3.24Å; G536-F553 VanDerWaalsContact N-O 3.08Å; G536-F553 PolarHBondContact O-N 2.87Å
537Y98.2Very high93Very high67 Ų6749.5 Ų49.526%0.26326%0.259SS..EExtended strand (participates in β ladder)trans-85.3131.8175.4-76.2-75000111.4K550 R551 W552 K568Y537-K550 HydrophobicContact CD1-CD 4.18Å; Y537-K550 HydrophobicContact CD1-CG 3.76Å; Y537-K550 HydrophobicContact CE1-CG 4.49Å; Y537-K550 HydrophobicContact CG-CD 4.47Å; Y537-K550 VanDerWaalsContact CG-CE 3.44Å; Y537-K550 HydrophobicContact CG-CG 4.33Å; Y537-R551 WeakPolarHBondContact CA-O 3.49Å; Y537-W552 HydrophobicContact CD1-CB 4.36Å; Y537-W552 HydrophobicContact CD1-CE3 4.08Å; Y537-W552 AromaticContact CD2-CE3 3.58Å; Y537-W552 HydrophobicContact CD2-CE3 3.58Å; Y537-W552 AromaticContact CD2-CZ3 3.68Å; Y537-W552 HydrophobicContact CD2-CZ3 3.68Å; Y537-W552 HydrophobicContact CE1-CB 4.05Å; Y537-W552 HydrophobicContact CE1-CE3 4.05Å; Y537-W552 AromaticContact CE2-CE3 3.53Å; Y537-W552 HydrophobicContact CE2-CE3 3.53Å; Y537-W552 AromaticContact CE2-CZ3 3.71Å; Y537-W552 HydrophobicContact CE2-CZ3 3.71Å; Y537-W552 AromaticContact CG-CE3 3.86Å; Y537-W552 HydrophobicContact CG-CE3 3.86Å; Y537-W552 HydrophobicContact CG-CZ3 4.33Å; Y537-W552 AromaticContact CZ-CE3 3.77Å; Y537-K568 PolarHBondContact OH-N 2.88Å
538L97.9Very high92.9Very high2 Ų252.3 Ų52.31%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-126.7151.2164.7-65.2172.8000109.3R551 F553 F603 M614 A616 W625L538-R551 PolarHBondContact N-O 3.43Å; L538-R551 PolarHBondContact O-N 2.97Å; L538-R551 VanDerWaalsContact O-O 3.14Å; L538-F553 HydrophobicContact CB-CD2 3.66Å; L538-F553 HydrophobicContact CB-CE2 3.78Å; L538-F553 HydrophobicContact CB-CG 4.48Å; L538-F553 HydrophobicContact CD1-CB 4.42Å; L538-F553 HydrophobicContact CD1-CD2 4.11Å; L538-F553 HydrophobicContact CD1-CE2 4.48Å; L538-F553 HydrophobicContact CD1-CG 4.12Å; L538-F553 HydrophobicContact CG-CD2 4.21Å; L538-F603 HydrophobicContact CD1-CE1 4.43Å; L538-F603 HydrophobicContact CD1-CZ 4.01Å; L538-F603 HydrophobicContact CD2-CE1 4.23Å; L538-M614 HydrophobicContact CD1-CB 4.47Å; L538-M614 HydrophobicContact CD1-SD 3.77Å; L538-A616 HydrophobicContact CD2-CB 4.07Å; L538-W625 HydrophobicContact CD1-CD2 3.85Å; L538-W625 HydrophobicContact CD1-CE3 4.31Å; L538-W625 HydrophobicContact CD1-CG 4.01Å; L538-W625 HydrophobicContact CD1-CZ2 4.46Å; L538-W625 HydrophobicContact CD2-CG 4.13Å; L538-W625 HydrophobicContact CG-CD2 4.39Å; L538-W625 HydrophobicContact CG-CG 4.41Å
539V97Very high92.8Very high41 Ų4152.9 Ų52.925%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-98.6118.1171.2-175.50000108.1W548 K550 M614 V615V539-W548 HydrophobicContact CG1-CB 3.92Å; V539-W548 HydrophobicContact CG1-CE3 4.3Å; V539-K550 HydrophobicContact CG2-CB 4.15Å; V539-K550 HydrophobicContact CG2-CG 4.35Å; V539-M614 CarbonylContact O-C 3.57Å; V539-M614 WeakPolarHBondContact O-CA 3.45Å; V539-V615 HydrophobicContact CB-CB 4.17Å; V539-V615 PolarHBondContact N-O 3.44Å; V539-V615 PolarHBondContact O-N 2.88Å
540K95Very high93Very high11 Ų1158 Ų585%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-115.4141.3-176.254.9149.2-122.653.10113.2K549 R551 F553 Y564 Y613K540-K549 PolarHBondContact N-O 2.96Å; K540-K549 PolarHBondContact O-N 3.47Å; K540-R551 HydrophobicContact CD-CG 4.24Å; K540-R551 HydrophobicContact CG-CB 4.41Å; K540-R551 HydrophobicContact CG-CG 4.04Å; K540-F553 HydrophobicContact CB-CE2 4.28Å; K540-F553 HydrophobicContact CB-CZ 4.06Å; K540-F553 HydrophobicContact CD-CE2 4.19Å; K540-F553 HydrophobicContact CD-CZ 3.71Å; K540-F553 HydrophobicContact CG-CE2 3.94Å; K540-F553 HydrophobicContact CG-CZ 3.87Å; K540-Y564 HydrophobicContact CD-CD2 3.98Å; K540-Y564 HydrophobicContact CD-CE1 4.44Å; K540-Y564 HydrophobicContact CD-CE2 3.79Å; K540-Y564 HydrophobicContact CD-CG 4.39Å; K540-Y564 VanDerWaalsContact CE-CE2 3.4Å; K540-Y613 VanDerWaalsContact CA-O 3.31Å; K540-Y613 WeakPolarHBondContact CA-O 3.48Å
541M92.8Very high93.1Very high27 Ų2758.2 Ų58.213%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-68.8140.3171.8-168.4165.552.500111.1K546 W548 Y613M541-K546 HydrophobicContact CE-CD 4.27Å; M541-K546 HydrophobicContact CG-CB 4.21Å; M541-K546 HydrophobicContact CG-CD 4.17Å; M541-K546 HydrophobicContact SD-CB 3.89Å; M541-K546 HydrophobicContact SD-CD 3.88Å; M541-K546 HydrophobicContact SD-CG 4.3Å; M541-W548 HydrophobicContact CB-CD2 4.23Å; M541-W548 HydrophobicContact CB-CE3 3.99Å; M541-W548 HydrophobicContact CB-CH2 3.99Å; M541-W548 HydrophobicContact CB-CZ2 4.19Å; M541-W548 HydrophobicContact CB-CZ3 3.87Å; M541-W548 HydrophobicContact CG-CZ2 4.43Å; M541-W548 HydrophobicContact SD-CZ2 4.03Å; M541-Y613 HydrophobicContact CE-CD2 3.08Å; M541-Y613 HydrophobicContact CE-CE2 3.54Å; M541-Y613 HydrophobicContact CE-CG 3.62Å; M541-Y613 PolarHBondContact N-O 3.34Å
542G89.5Confident93.4Very high12 Ų1257.1 Ų57.112%0.12427%0.268CS..  trans-72.3154.1173.400000112.2I545 K546 S547G542-I545 CarbonylContact C-O 3.47Å; G542-I545 WeakPolarHBondContact CA-O 3.47Å; G542-K546 WeakPolarHBondContact O-CD 3.46Å; G542-S547 PolarHBondContact N-O 2.92Å
543G83.9Confident93.7Very high28 Ų2855.1 Ų55.129%0.28926%0.259SS..SBendtrans-76.4-68.8-175.900000111.6K546 R610G543-K546 PolarHBondContact O-NZ 3.43Å; G543-R610 VanDerWaalsContact CA-NH2 3.3Å
544K83.1Confident93.9Very high214 Ų21454.5 Ų54.593%0.9326%0.256SS*.SBendtrans-69.2-48.5177.6-62.7-174.5179-175.70112
545I84.8Confident93.9Very high131 Ų13154.6 Ų54.667%0.67226%0.256SS*.SBendtrans-106.2118.7176.5-56.6172.1000107.3G542 S547G542-I545 CarbonylContact C-O 3.47Å; G542-I545 WeakPolarHBondContact CA-O 3.47Å; I545-S547 PolarHBondContact O-N 3.26Å
546K88.6Confident93.7Very high132 Ų13252.2 Ų52.257%0.57425%0.248SC*.  trans-7435.3-177.3-57.7-54.1-169.9-169.80113.8M541 G542 G543M541-K546 HydrophobicContact CE-CD 4.27Å; M541-K546 HydrophobicContact CG-CB 4.21Å; M541-K546 HydrophobicContact CG-CD 4.17Å; M541-K546 HydrophobicContact SD-CB 3.89Å; M541-K546 HydrophobicContact SD-CD 3.88Å; M541-K546 HydrophobicContact SD-CG 4.3Å; G542-K546 WeakPolarHBondContact O-CD 3.46Å; G543-K546 PolarHBondContact O-NZ 3.43Å
547S89.8Confident93.4Very high40 Ų4053.9 Ų53.928%0.2825%0.254SS..  trans-77.1140.717260.50000111G542 I545 K549G542-S547 PolarHBondContact N-O 2.92Å; I545-S547 PolarHBondContact O-N 3.26Å; S547-K549 WeakPolarHBondContact OG-CE 3.36Å
548W93.6Very high92.9Very high70 Ų7056.8 Ų56.827%0.26527%0.274SS..EExtended strand (participates in β ladder)trans-84.6129.4173.6-6597.1000110.5V539 M541 K595 S596 P597 V615V539-W548 HydrophobicContact CG1-CB 3.92Å; V539-W548 HydrophobicContact CG1-CE3 4.3Å; M541-W548 HydrophobicContact CB-CD2 4.23Å; M541-W548 HydrophobicContact CB-CE3 3.99Å; M541-W548 HydrophobicContact CB-CH2 3.99Å; M541-W548 HydrophobicContact CB-CZ2 4.19Å; M541-W548 HydrophobicContact CB-CZ3 3.87Å; M541-W548 HydrophobicContact CG-CZ2 4.43Å; M541-W548 HydrophobicContact SD-CZ2 4.03Å; W548-K595 PolarHBondContact NE1-O 3.3Å; W548-S596 VanDerWaalsContact CZ2-CA 3.49Å; W548-P597 VanDerWaalsContact CD2-CD 3.48Å; W548-P597 HydrophobicContact CD2-CG 4.16Å; W548-P597 VanDerWaalsContact CE2-CD 3.44Å; W548-P597 HydrophobicContact CE3-CG 4.38Å; W548-P597 HydrophobicContact CG-CG 4.26Å; W548-V615 HydrophobicContact CE3-CG2 4.12Å; W548-V615 HydrophobicContact CH2-CG2 4.24Å; W548-V615 HydrophobicContact CZ3-CG2 3.64Å
549K95Very high92.7Very high97 Ų9763.4 Ų63.442%0.42230%0.303SS..EExtended strand (participates in β ladder)trans-134.8126.3-178.5-62.5-168.7180-177.30111K540 S547K540-K549 PolarHBondContact N-O 2.96Å; K540-K549 PolarHBondContact O-N 3.47Å; S547-K549 WeakPolarHBondContact OG-CE 3.36Å
550K96.9Very high92.4Very high127 Ų12766.5 Ų66.555%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-66.1128.5169.7-170.1173.4-177.9175.90109.5Y537 V539Y537-K550 HydrophobicContact CD1-CD 4.18Å; Y537-K550 HydrophobicContact CD1-CG 3.76Å; Y537-K550 HydrophobicContact CE1-CG 4.49Å; Y537-K550 HydrophobicContact CG-CD 4.47Å; Y537-K550 VanDerWaalsContact CG-CE 3.44Å; Y537-K550 HydrophobicContact CG-CG 4.33Å; V539-K550 HydrophobicContact CG2-CB 4.15Å; V539-K550 HydrophobicContact CG2-CG 4.35Å
551R97.9Very high92.4Very high47 Ų4766.6 Ų66.618%0.17731%0.311CS..EExtended strand (participates in β ladder)trans-140.4147.7-178.7-66.5-66.8178-106.212.8109.6Y537 L538 K540 F553 Y564 Y565Y537-R551 WeakPolarHBondContact CA-O 3.49Å; L538-R551 PolarHBondContact N-O 3.43Å; L538-R551 PolarHBondContact O-N 2.97Å; L538-R551 VanDerWaalsContact O-O 3.14Å; K540-R551 HydrophobicContact CD-CG 4.24Å; K540-R551 HydrophobicContact CG-CB 4.41Å; K540-R551 HydrophobicContact CG-CG 4.04Å; R551-F553 HydrophobicContact CB-CD2 4.17Å; R551-F553 HydrophobicContact CB-CE2 3.84Å; R551-Y564 HydrophobicContact CB-CD2 4.21Å; R551-Y564 HydrophobicContact CG-CD2 4.03Å; R551-Y565 WeakPolarHBondContact CA-O 3.47Å; R551-Y565 WeakPolarHBondContact CB-O 3.35Å; R551-Y565 WeakPolarHBondContact CD-O 3.34Å
552W98.1Very high92.6Very high29 Ų2965.3 Ų65.311%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-83.5114.2172.6-178-109.4000108.6R535 G536 Y537 Y564 Y565 D567 K568 E570R535-W552 HydrophobicContact CB-CH2 4.08Å; R535-W552 HydrophobicContact CB-CZ2 3.42Å; R535-W552 VanDerWaalsContact CB-CZ2 3.42Å; R535-W552 HydrophobicContact CG-CZ2 4.32Å; G536-W552 VanDerWaalsContact C-CE3 3.49Å; G536-W552 VanDerWaalsContact CA-CZ3 3.47Å; Y537-W552 HydrophobicContact CD1-CB 4.36Å; Y537-W552 HydrophobicContact CD1-CE3 4.08Å; Y537-W552 AromaticContact CD2-CE3 3.58Å; Y537-W552 HydrophobicContact CD2-CE3 3.58Å; Y537-W552 AromaticContact CD2-CZ3 3.68Å; Y537-W552 HydrophobicContact CD2-CZ3 3.68Å; Y537-W552 HydrophobicContact CE1-CB 4.05Å; Y537-W552 HydrophobicContact CE1-CE3 4.05Å; Y537-W552 AromaticContact CE2-CE3 3.53Å; Y537-W552 HydrophobicContact CE2-CE3 3.53Å; Y537-W552 AromaticContact CE2-CZ3 3.71Å; Y537-W552 HydrophobicContact CE2-CZ3 3.71Å; Y537-W552 AromaticContact CG-CE3 3.86Å; Y537-W552 HydrophobicContact CG-CE3 3.86Å; Y537-W552 HydrophobicContact CG-CZ3 4.33Å; Y537-W552 AromaticContact CZ-CE3 3.77Å; W552-Y564 CarbonylContact O-C 3.53Å; W552-Y564 WeakPolarHBondContact O-CA 3.41Å; W552-Y565 PolarHBondContact N-O 3.49Å; W552-Y565 VanDerWaalsContact N-O 3.13Å; W552-Y565 PolarHBondContact O-N 3.46Å; W552-D567 VanDerWaalsContact CB-C 3.42Å; W552-D567 VanDerWaalsContact CB-O 3.3Å; W552-D567 WeakPolarHBondContact CB-O 3.4Å; W552-K568 HydrophobicContact CD2-CB 3.96Å; W552-K568 HydrophobicContact CE3-CB 4.06Å; W552-K568 HydrophobicContact CG-CB 4.42Å; W552-K568 HydrophobicContact CH2-CB 4.43Å; W552-K568 HydrophobicContact CZ2-CB 4.31Å; W552-K568 HydrophobicContact CZ3-CB 4.3Å; W552-E570 PolarHBondContact NE1-OE1 3.04Å
553F98.5Very high93Very high0 Ų065 Ų650%030%0.301CS..EExtended strand (participates in β ladder)trans-95.9143.4178-81.8-101.5000110.3R535 G536 L538 K540 R551 L562 S563 Y564 M614 W625R535-F553 VanDerWaalsContact CA-O 3.27Å; R535-F553 WeakPolarHBondContact CA-O 3.42Å; G536-F553 PolarHBondContact N-O 3.24Å; G536-F553 VanDerWaalsContact N-O 3.08Å; G536-F553 PolarHBondContact O-N 2.87Å; L538-F553 HydrophobicContact CB-CD2 3.66Å; L538-F553 HydrophobicContact CB-CE2 3.78Å; L538-F553 HydrophobicContact CB-CG 4.48Å; L538-F553 HydrophobicContact CD1-CB 4.42Å; L538-F553 HydrophobicContact CD1-CD2 4.11Å; L538-F553 HydrophobicContact CD1-CE2 4.48Å; L538-F553 HydrophobicContact CD1-CG 4.12Å; L538-F553 HydrophobicContact CG-CD2 4.21Å; K540-F553 HydrophobicContact CB-CE2 4.28Å; K540-F553 HydrophobicContact CB-CZ 4.06Å; K540-F553 HydrophobicContact CD-CE2 4.19Å; K540-F553 HydrophobicContact CD-CZ 3.71Å; K540-F553 HydrophobicContact CG-CE2 3.94Å; K540-F553 HydrophobicContact CG-CZ 3.87Å; R551-F553 HydrophobicContact CB-CD2 4.17Å; R551-F553 HydrophobicContact CB-CE2 3.84Å; F553-L562 HydrophobicContact CB-CD1 4.39Å; F553-L562 HydrophobicContact CD1-CD1 3.89Å; F553-L562 HydrophobicContact CD1-CD2 4.3Å; F553-L562 HydrophobicContact CD1-CG 3.97Å; F553-L562 HydrophobicContact CE1-CG 4.48Å; F553-S563 CarbonylContact C-O 3.57Å; F553-S563 WeakPolarHBondContact CA-O 3.35Å; F553-Y564 HydrophobicContact CD1-CD1 4.42Å; F553-Y564 HydrophobicContact CD1-CG 4.44Å; F553-Y564 AromaticContact CE1-CD1 3.76Å; F553-Y564 HydrophobicContact CE1-CD1 3.76Å; F553-Y564 AromaticContact CE1-CG 3.95Å; F553-Y564 HydrophobicContact CE1-CG 3.95Å; F553-Y564 HydrophobicContact CE2-CG 4.42Å; F553-Y564 HydrophobicContact CZ-CD1 4.07Å; F553-Y564 AromaticContact CZ-CG 3.96Å; F553-Y564 HydrophobicContact CZ-CG 3.96Å; F553-M614 HydrophobicContact CE1-CE 3.82Å; F553-M614 HydrophobicContact CE1-SD 4.13Å; F553-M614 HydrophobicContact CZ-CE 4.16Å; F553-M614 HydrophobicContact CZ-SD 4.21Å; F553-W625 HydrophobicContact CB-CH2 3.6Å; F553-W625 HydrophobicContact CB-CZ2 3.97Å; F553-W625 HydrophobicContact CB-CZ3 4.23Å
554V98.1Very high93.7Very high4 Ų464.5 Ų64.52%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-134.9106.5178.4-178.90000107.6V533 C534 R535 S563 Y565 E570V533-V554 HydrophobicContact CG1-CG1 3.77Å; C534-V554 WeakPolarHBondContact O-CA 3.41Å; R535-V554 HydrophobicContact CG-CB 4.43Å; R535-V554 HydrophobicContact CG-CG1 4.11Å; R535-V554 HydrophobicContact CG-CG2 4.07Å; V554-S563 PolarHBondContact N-O 2.96Å; V554-S563 PolarHBondContact O-N 2.89Å; V554-S563 PolarHBondContact O-OG 3.25Å; V554-Y565 HydrophobicContact CB-CE2 4.13Å; V554-Y565 HydrophobicContact CG2-CD2 4.01Å; V554-Y565 HydrophobicContact CG2-CE2 3.74Å; V554-E570 HydrophobicContact CG2-CG 4.17Å; V554-E570 WeakPolarHBondContact CG2-OE1 3.48Å
555F97.1Very high94.4Very high2 Ų255.7 Ų55.71%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-82.5118.1164.7174.5-81000107.9L510 V533 C534 R557 L562 F579 W625 V628L510-F555 HydrophobicContact CD1-CE1 4.34Å; L510-F555 HydrophobicContact CD2-CD1 3.91Å; L510-F555 HydrophobicContact CD2-CE1 3.89Å; V533-F555 VanDerWaalsContact CA-O 3.26Å; V533-F555 WeakPolarHBondContact CA-O 3.42Å; V533-F555 WeakPolarHBondContact CG1-O 3.49Å; C534-F555 HydrophobicContact CB-CB 4.06Å; C534-F555 HydrophobicContact CB-CD1 4.47Å; C534-F555 PolarHBondContact N-O 2.84Å; C534-F555 PolarHBondContact O-N 3.44Å; F555-R557 HydrophobicContact CE1-CB 4.19Å; F555-L562 HydrophobicContact CB-CD1 4.02Å; F555-F579 HydrophobicContact CD1-CZ 4.16Å; F555-F579 AromaticContact CD2-CE1 3.52Å; F555-F579 HydrophobicContact CD2-CE1 3.52Å; F555-F579 AromaticContact CD2-CZ 3.45Å; F555-F579 HydrophobicContact CD2-CZ 3.45Å; F555-F579 VanDerWaalsContact CD2-CZ 3.45Å; F555-F579 HydrophobicContact CE1-CE2 4.27Å; F555-F579 AromaticContact CE1-CZ 3.8Å; F555-F579 HydrophobicContact CE1-CZ 3.8Å; F555-F579 HydrophobicContact CE2-CD1 4.34Å; F555-F579 AromaticContact CE2-CE1 3.36Å; F555-F579 HydrophobicContact CE2-CE1 3.36Å; F555-F579 AromaticContact CE2-CE2 3.79Å; F555-F579 HydrophobicContact CE2-CE2 3.79Å; F555-F579 AromaticContact CE2-CZ 3.05Å; F555-F579 HydrophobicContact CE2-CZ 3.05Å; F555-F579 HydrophobicContact CG-CE1 4.35Å; F555-F579 AromaticContact CG-CZ 3.99Å; F555-F579 HydrophobicContact CG-CZ 3.99Å; F555-F579 HydrophobicContact CZ-CE1 4.05Å; F555-F579 AromaticContact CZ-CE2 3.62Å; F555-F579 HydrophobicContact CZ-CE2 3.62Å; F555-F579 AromaticContact CZ-CZ 3.25Å; F555-F579 HydrophobicContact CZ-CZ 3.25Å; F555-W625 HydrophobicContact CB-CZ3 4.16Å; F555-V628 HydrophobicContact CB-CG1 3.84Å; F555-V628 HydrophobicContact CD1-CG1 3.67Å; F555-V628 HydrophobicContact CD2-CG1 3.58Å; F555-V628 HydrophobicContact CE1-CG1 4.07Å; F555-V628 HydrophobicContact CE2-CG1 3.94Å; F555-V628 WeakPolarHBondContact CE2-O 3.36Å; F555-V628 HydrophobicContact CG-CG1 3.42Å; F555-V628 VanDerWaalsContact CG-CG1 3.42Å; F555-V628 HydrophobicContact CZ-CG1 4.18Å; F555-V628 WeakPolarHBondContact CZ-O 3.31Å
556D94.9Very high95Very high15 Ų1551.8 Ų51.88%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-120.7113.6179.4-175-34.3000109L558 K559 R560 T561D556-L558 PolarHBondContact OD1-N 2.96Å; D556-K559 HydrophobicContact CB-CB 4.08Å; D556-K559 HydrophobicContact CB-CD 4.41Å; D556-K559 HydrophobicContact CB-CG 4.44Å; D556-K559 PolarHBondContact OD1-N 3.48Å; D556-K559 WeakPolarHBondContact OD2-CD 3.33Å; D556-K559 VanDerWaalsContact OD2-CE 3.31Å; D556-K559 WeakPolarHBondContact OD2-CE 3.49Å; D556-K559 WeakPolarHBondContact OD2-CG 3.39Å; D556-K559 IonicContact OD2-NZ 3.86Å; D556-R560 WeakPolarHBondContact O-CA 3.45Å; D556-R560 PolarHBondContact O-N 3.34Å; D556-T561 PolarHBondContact N-O 2.86Å; D556-T561 PolarHBondContact O-N 2.9Å; D556-T561 VanDerWaalsContact O-N 3.1Å
557R89.9Confident95.3Very high35 Ų3547.7 Ų47.713%0.13222%0.218CC..THydrogen-bonded Turntrans-69.1-36.9-177.9-172.9169.7-171.7-88-1112.8I503 K505 F508 K532 F555 R560I503-R557 PolarHBondContact O-NH2 3.43Å; K505-R557 VanDerWaalsContact O-CZ 3.28Å; K505-R557 PolarHBondContact O-NH1 2.95Å; K505-R557 VanDerWaalsContact O-NH1 3.1Å; K505-R557 PolarHBondContact O-NH2 2.97Å; F508-R557 VanDerWaalsContact CD1-NE 3.25Å; K532-R557 HydrophobicContact CB-CB 4.39Å; K532-R557 WeakPolarHBondContact O-CB 3.31Å; K532-R557 PolarHBondContact O-N 3.28Å; F555-R557 HydrophobicContact CE1-CB 4.19Å; R557-R560 VanDerWaalsContact O-CG 3.27Å; R557-R560 WeakPolarHBondContact O-CG 3.37Å; R557-R560 PolarHBondContact O-N 3.34Å
558L89.3Confident95.5Very high129 Ų12951.8 Ų51.868%0.67523%0.231SC*.THydrogen-bonded Turntrans-71.2-41.4-177.8-63178.4000110.3K532 D556 R560K532-L558 HydrophobicContact CB-CG 4.31Å; K532-L558 HydrophobicContact CD-CD2 4.24Å; K532-L558 HydrophobicContact CG-CD2 4.47Å; K532-L558 HydrophobicContact CG-CG 4.34Å; D556-L558 PolarHBondContact OD1-N 2.96Å; L558-R560 VanDerWaalsContact C-N 3.26Å; L558-R560 PolarHBondContact O-N 3.26Å
559K92.2Very high95.6Very high141 Ų14154.4 Ų54.461%0.61325%0.246SC*.THydrogen-bonded Turntrans-78.1-12.5174.8-62.6179.6-169.6162.40113.2D556 T561D556-K559 HydrophobicContact CB-CB 4.08Å; D556-K559 HydrophobicContact CB-CD 4.41Å; D556-K559 HydrophobicContact CB-CG 4.44Å; D556-K559 PolarHBondContact OD1-N 3.48Å; D556-K559 WeakPolarHBondContact OD2-CD 3.33Å; D556-K559 VanDerWaalsContact OD2-CE 3.31Å; D556-K559 WeakPolarHBondContact OD2-CE 3.49Å; D556-K559 WeakPolarHBondContact OD2-CG 3.39Å; D556-K559 IonicContact OD2-NZ 3.86Å; K559-T561 VanDerWaalsContact C-N 3.31Å; K559-T561 WeakPolarHBondContact O-CG2 3.27Å; K559-T561 PolarHBondContact O-N 3.49Å
560R92.1Very high95.5Very high106 Ų10652.7 Ų52.740%0.424%0.24SC..THydrogen-bonded Turntrans5743.4-178.8-59.1168.351.876.81.8112.6D556 R557 L558 F579 E634D556-R560 WeakPolarHBondContact O-CA 3.45Å; D556-R560 PolarHBondContact O-N 3.34Å; R557-R560 VanDerWaalsContact O-CG 3.27Å; R557-R560 WeakPolarHBondContact O-CG 3.37Å; R557-R560 PolarHBondContact O-N 3.34Å; L558-R560 VanDerWaalsContact C-N 3.26Å; L558-R560 PolarHBondContact O-N 3.26Å; R560-F579 VanDerWaalsContact C-CG 3.5Å; R560-F579 VanDerWaalsContact CA-CD2 3.48Å; R560-F579 HydrophobicContact CB-CD2 3.87Å; R560-F579 HydrophobicContact CB-CE2 4.32Å; R560-F579 HydrophobicContact CB-CG 4.34Å; R560-F579 HydrophobicContact CG-CD2 4.43Å; R560-F579 WeakPolarHBondContact O-CG 3.47Å; R560-F579 PolarHBondContact O-N 3.41Å; R560-F579 VanDerWaalsContact O-N 3.09Å; R560-E634 IonicContact CZ-OE1 3.97Å; R560-E634 IonicContact CZ-OE2 3.46Å; R560-E634 IonicContact NH1-OE1 3.57Å; R560-E634 PolarHBondContact NH1-OE1 2.81Å; R560-E634 IonicContact NH1-OE2 2.89Å; R560-E634 IonicContact NH2-OE1 3.9Å; R560-E634 PolarHBondContact NH2-OE1 3.04Å; R560-E634 IonicContact NH2-OE2 2.74Å; R560-E634 PolarHBondContact NH2-OE2 3.02Å
561T95.1Very high95.3Very high12 Ų1251.6 Ų51.67%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-138.5147.9-174.153.30000112.8D556 K559 V576 I577 Y578 F579D556-T561 PolarHBondContact N-O 2.86Å; D556-T561 PolarHBondContact O-N 2.9Å; D556-T561 VanDerWaalsContact O-N 3.1Å; K559-T561 VanDerWaalsContact C-N 3.31Å; K559-T561 WeakPolarHBondContact O-CG2 3.27Å; K559-T561 PolarHBondContact O-N 3.49Å; T561-V576 HydrophobicContact CG2-CG1 3.45Å; T561-V576 VanDerWaalsContact CG2-CG1 3.45Å; T561-I577 WeakPolarHBondContact CA-O 3.33Å; T561-Y578 HydrophobicContact CG2-CD1 3.52Å; T561-Y578 HydrophobicContact CG2-CE1 3.65Å; T561-Y578 HydrophobicContact CG2-CG 4.4Å; T561-F579 WeakPolarHBondContact O-CE1 3.41Å
562L97.3Very high95.1Very high0 Ų055.8 Ų55.80%026%0.263CS..EExtended strand (participates in β ladder)trans-105.699.9160.2177.267.5000107.6F553 F555 I577 F579 M614 W625 I629F553-L562 HydrophobicContact CB-CD1 4.39Å; F553-L562 HydrophobicContact CD1-CD1 3.89Å; F553-L562 HydrophobicContact CD1-CD2 4.3Å; F553-L562 HydrophobicContact CD1-CG 3.97Å; F553-L562 HydrophobicContact CE1-CG 4.48Å; F555-L562 HydrophobicContact CB-CD1 4.02Å; L562-I577 HydrophobicContact CB-CB 4.21Å; L562-I577 HydrophobicContact CD2-CD1 4.15Å; L562-I577 PolarHBondContact N-O 3.43Å; L562-I577 WeakPolarHBondContact O-CB 3.48Å; L562-I577 PolarHBondContact O-N 3.42Å; L562-F579 HydrophobicContact CB-CE1 4.41Å; L562-M614 HydrophobicContact CD2-CE 4.2Å; L562-W625 HydrophobicContact CD1-CZ3 3.85Å; L562-I629 HydrophobicContact CD2-CD1 3.73Å; L562-I629 HydrophobicContact CD2-CG1 3.99Å; L562-I629 HydrophobicContact CD2-CG2 4.49Å
563S97.9Very high95.1Very high7 Ų758.7 Ų58.75%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-100.1154.4-179.460.20000111.1F553 V554 Y565 G575F553-S563 CarbonylContact C-O 3.57Å; F553-S563 WeakPolarHBondContact CA-O 3.35Å; V554-S563 PolarHBondContact N-O 2.96Å; V554-S563 PolarHBondContact O-N 2.89Å; V554-S563 PolarHBondContact O-OG 3.25Å; S563-Y565 WeakPolarHBondContact OG-CE2 3.32Å; S563-Y565 PolarHBondContact OG-OH 3.47Å; S563-G575 WeakPolarHBondContact CA-O 3.09Å
564Y97.9Very high95Very high16 Ų1664 Ų646%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-139.2141.8174.663.4-87.6000113.8K540 R551 W552 F553 K574 G575K540-Y564 HydrophobicContact CD-CD2 3.98Å; K540-Y564 HydrophobicContact CD-CE1 4.44Å; K540-Y564 HydrophobicContact CD-CE2 3.79Å; K540-Y564 HydrophobicContact CD-CG 4.39Å; K540-Y564 VanDerWaalsContact CE-CE2 3.4Å; R551-Y564 HydrophobicContact CB-CD2 4.21Å; R551-Y564 HydrophobicContact CG-CD2 4.03Å; W552-Y564 CarbonylContact O-C 3.53Å; W552-Y564 WeakPolarHBondContact O-CA 3.41Å; F553-Y564 HydrophobicContact CD1-CD1 4.42Å; F553-Y564 HydrophobicContact CD1-CG 4.44Å; F553-Y564 AromaticContact CE1-CD1 3.76Å; F553-Y564 HydrophobicContact CE1-CD1 3.76Å; F553-Y564 AromaticContact CE1-CG 3.95Å; F553-Y564 HydrophobicContact CE1-CG 3.95Å; F553-Y564 HydrophobicContact CE2-CG 4.42Å; F553-Y564 HydrophobicContact CZ-CD1 4.07Å; F553-Y564 AromaticContact CZ-CG 3.96Å; F553-Y564 HydrophobicContact CZ-CG 3.96Å; Y564-K574 HydrophobicContact CD2-CB 3.67Å; Y564-K574 HydrophobicContact CE2-CB 3.5Å; Y564-K574 VanDerWaalsContact CE2-CB 3.5Å; Y564-K574 WeakPolarHBondContact O-CB 3.34Å; Y564-K574 PolarHBondContact O-N 3.11Å; Y564-G575 WeakPolarHBondContact CD1-O 3.44Å; Y564-G575 PolarHBondContact N-O 3.32Å; Y564-G575 PolarHBondContact O-N 2.85Å
565Y98.3Very high94.9Very high29 Ų2964.7 Ų64.711%0.11431%0.311CS..EExtended strand (participates in β ladder)trans-121.2168.5-171.6-56.3-96.8000110.8R551 W552 V554 S563 D567 E570 K572 L573R551-Y565 WeakPolarHBondContact CA-O 3.47Å; R551-Y565 WeakPolarHBondContact CB-O 3.35Å; R551-Y565 WeakPolarHBondContact CD-O 3.34Å; W552-Y565 PolarHBondContact N-O 3.49Å; W552-Y565 VanDerWaalsContact N-O 3.13Å; W552-Y565 PolarHBondContact O-N 3.46Å; V554-Y565 HydrophobicContact CB-CE2 4.13Å; V554-Y565 HydrophobicContact CG2-CD2 4.01Å; V554-Y565 HydrophobicContact CG2-CE2 3.74Å; S563-Y565 WeakPolarHBondContact OG-CE2 3.32Å; S563-Y565 PolarHBondContact OG-OH 3.47Å; Y565-D567 VanDerWaalsContact C-N 3.31Å; Y565-E570 VanDerWaalsContact CD1-C 3.48Å; Y565-E570 HydrophobicContact CD1-CB 4.12Å; Y565-E570 VanDerWaalsContact CD1-O 3.26Å; Y565-E570 WeakPolarHBondContact CD1-O 3.35Å; Y565-E570 HydrophobicContact CD2-CB 4.38Å; Y565-E570 HydrophobicContact CD2-CG 4.09Å; Y565-E570 HydrophobicContact CE1-CB 4.13Å; Y565-E570 VanDerWaalsContact CE1-O 3.23Å; Y565-E570 WeakPolarHBondContact CE1-O 3.38Å; Y565-E570 HydrophobicContact CE2-CB 4.39Å; Y565-E570 HydrophobicContact CE2-CG 4.21Å; Y565-E570 HydrophobicContact CG-CB 4.27Å; Y565-E570 HydrophobicContact CG-CG 4.36Å; Y565-K572 WeakPolarHBondContact CA-O 3.14Å; Y565-L573 HydrophobicContact CD1-CB 4.07Å; Y565-L573 HydrophobicContact CD1-CD1 4.16Å; Y565-L573 HydrophobicContact CE1-CB 3.84Å; Y565-L573 HydrophobicContact CE1-CD1 3.68Å; Y565-L573 HydrophobicContact CE1-CG 4.34Å; Y565-L573 HydrophobicContact CE2-CD1 4.28Å
566V95.8Very high94.9Very high50 Ų5067 Ų6730%0.30333%0.325SS..SBendtrans-59.3-45.4174178.50000111K572 K574V566-K572 HydrophobicContact CB-CB 4.33Å; V566-K572 HydrophobicContact CG2-CB 3.72Å; V566-K572 HydrophobicContact CG2-CD 4.44Å; V566-K572 PolarHBondContact N-O 3.24Å; V566-K574 HydrophobicContact CG2-CD 4.18Å; V566-K574 HydrophobicContact CG2-CG 3.96Å
567D95.6Very high94.9Very high46 Ų4666.5 Ų66.525%0.24632%0.322CS..SBendtrans-152179.6-173.860.462.9000111.5W552 Y565 H569 E570W552-D567 VanDerWaalsContact CB-C 3.42Å; W552-D567 VanDerWaalsContact CB-O 3.3Å; W552-D567 WeakPolarHBondContact CB-O 3.4Å; Y565-D567 VanDerWaalsContact C-N 3.31Å; D567-H569 PolarHBondContact O-N 3.14Å; D567-H569 VanDerWaalsContact O-N 3.16Å; D567-H569 WeakPolarHBondContact OD1-CB 3.48Å; D567-H569 IonicContact OD1-CE1 3.85Å; D567-H569 IonicContact OD1-CG 2.89Å; D567-H569 PolarHBondContact OD1-N 3.3Å; D567-H569 IonicContact OD1-ND1 3.6Å; D567-H569 PolarHBondContact OD1-ND1 2.94Å; D567-E570 PolarHBondContact O-N 2.83Å
568K94.9Very high95.1Very high125 Ų12571.7 Ų71.754%0.54334%0.343SS..THydrogen-bonded Turntrans-62.6-13.7-175.467.8173.3-176.3176.50116Y537 W552 E570Y537-K568 PolarHBondContact OH-N 2.88Å; W552-K568 HydrophobicContact CD2-CB 3.96Å; W552-K568 HydrophobicContact CE3-CB 4.06Å; W552-K568 HydrophobicContact CG-CB 4.42Å; W552-K568 HydrophobicContact CH2-CB 4.43Å; W552-K568 HydrophobicContact CZ2-CB 4.31Å; W552-K568 HydrophobicContact CZ3-CB 4.3Å; K568-E570 PolarHBondContact O-N 2.97Å
569H93.9Very high95.2Very high126 Ų12665.8 Ų65.858%0.58331%0.312SS*.THydrogen-bonded Turntrans-81.3-4.8-178.8-50.491.8000112.2D567 T571D567-H569 PolarHBondContact O-N 3.14Å; D567-H569 VanDerWaalsContact O-N 3.16Å; D567-H569 WeakPolarHBondContact OD1-CB 3.48Å; D567-H569 IonicContact OD1-CE1 3.85Å; D567-H569 IonicContact OD1-CG 2.89Å; D567-H569 PolarHBondContact OD1-N 3.3Å; D567-H569 IonicContact OD1-ND1 3.6Å; D567-H569 PolarHBondContact OD1-ND1 2.94Å; H569-T571 HydrophobicContact CB-CG2 3.99Å; H569-T571 WeakPolarHBondContact O-CG2 3.36Å; H569-T571 PolarHBondContact O-N 3.13Å
570E93.6Very high95.1Very high61 Ų6165.8 Ų65.829%0.28531%0.314SS..  trans58.718.4174.5-60.8176.8-162.200113.8R535 W552 V554 Y565 D567 K568R535-E570 VanDerWaalsContact CD-OE1 3.23Å; R535-E570 WeakPolarHBondContact CD-OE1 3.42Å; R535-E570 IonicContact CZ-OE1 2.68Å; R535-E570 IonicContact NE-OE1 3.01Å; R535-E570 PolarHBondContact NE-OE1 2.87Å; R535-E570 IonicContact NE-OE2 3.27Å; W552-E570 PolarHBondContact NE1-OE1 3.04Å; V554-E570 HydrophobicContact CG2-CG 4.17Å; V554-E570 WeakPolarHBondContact CG2-OE1 3.48Å; Y565-E570 VanDerWaalsContact CD1-C 3.48Å; Y565-E570 HydrophobicContact CD1-CB 4.12Å; Y565-E570 VanDerWaalsContact CD1-O 3.26Å; Y565-E570 WeakPolarHBondContact CD1-O 3.35Å; Y565-E570 HydrophobicContact CD2-CB 4.38Å; Y565-E570 HydrophobicContact CD2-CG 4.09Å; Y565-E570 HydrophobicContact CE1-CB 4.13Å; Y565-E570 VanDerWaalsContact CE1-O 3.23Å; Y565-E570 WeakPolarHBondContact CE1-O 3.38Å; Y565-E570 HydrophobicContact CE2-CB 4.39Å; Y565-E570 HydrophobicContact CE2-CG 4.21Å; Y565-E570 HydrophobicContact CG-CB 4.27Å; Y565-E570 HydrophobicContact CG-CG 4.36Å; D567-E570 PolarHBondContact O-N 2.83Å; K568-E570 PolarHBondContact O-N 2.97Å
571T92.4Very high95.1Very high104 Ų10461.8 Ų61.864%0.63830%0.304SS*.  trans-80-32.1-174.955.90000113.9H569H569-T571 HydrophobicContact CB-CG2 3.99Å; H569-T571 WeakPolarHBondContact O-CG2 3.36Å; H569-T571 PolarHBondContact O-N 3.13Å
572K95.4Very high94.9Very high134 Ų13461.2 Ų61.258%0.58330%0.3SS*.SBendtrans-120.691.2-175.2-69.7-179.2-177.7175.30111Y565 V566Y565-K572 WeakPolarHBondContact CA-O 3.14Å; V566-K572 HydrophobicContact CB-CB 4.33Å; V566-K572 HydrophobicContact CG2-CB 3.72Å; V566-K572 HydrophobicContact CG2-CD 4.44Å; V566-K572 PolarHBondContact N-O 3.24Å
573L96.9Very high94.5Very high91 Ų9164 Ų6448%0.47631%0.313SS..EExtended strand (participates in β ladder)trans-63.3134.6175.3-176.764.1000110.9Y565 V576Y565-L573 HydrophobicContact CD1-CB 4.07Å; Y565-L573 HydrophobicContact CD1-CD1 4.16Å; Y565-L573 HydrophobicContact CE1-CB 3.84Å; Y565-L573 HydrophobicContact CE1-CD1 3.68Å; Y565-L573 HydrophobicContact CE1-CG 4.34Å; Y565-L573 HydrophobicContact CE2-CD1 4.28Å; L573-V576 HydrophobicContact CD1-CG2 4.06Å; L573-V576 HydrophobicContact CD2-CG2 3.86Å; L573-V576 HydrophobicContact CG-CG2 4.38Å
574K96.4Very high94Very high112 Ų11268.3 Ų68.349%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-115.9-23.6179.6-68.3-59.9-178.1-172.10113.9Y564 V566Y564-K574 HydrophobicContact CD2-CB 3.67Å; Y564-K574 HydrophobicContact CE2-CB 3.5Å; Y564-K574 VanDerWaalsContact CE2-CB 3.5Å; Y564-K574 WeakPolarHBondContact O-CB 3.34Å; Y564-K574 PolarHBondContact O-N 3.11Å; V566-K574 HydrophobicContact CG2-CD 4.18Å; V566-K574 HydrophobicContact CG2-CG 3.96Å
575G95.8Very high93.6Very high17 Ų1768.5 Ų68.518%0.17534%0.336CS..EExtended strand (participates in β ladder)trans-178163.5172.400000112.1S563 Y564S563-G575 WeakPolarHBondContact CA-O 3.09Å; Y564-G575 WeakPolarHBondContact CD1-O 3.44Å; Y564-G575 PolarHBondContact N-O 3.32Å; Y564-G575 PolarHBondContact O-N 2.85Å
576V96.4Very high93.2Very high51 Ų5170.5 Ų70.531%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-131.7134.8-179.3-178.90000107.7T561 L573 Y578T561-V576 HydrophobicContact CG2-CG1 3.45Å; T561-V576 VanDerWaalsContact CG2-CG1 3.45Å; L573-V576 HydrophobicContact CD1-CG2 4.06Å; L573-V576 HydrophobicContact CD2-CG2 3.86Å; L573-V576 HydrophobicContact CG-CG2 4.38Å; V576-Y578 HydrophobicContact CG1-CD1 4.47Å; V576-Y578 HydrophobicContact CG1-CD2 4.47Å; V576-Y578 HydrophobicContact CG1-CE1 4.18Å; V576-Y578 HydrophobicContact CG1-CE2 4.18Å
577I95.9Very high92.7Very high4 Ų471.6 Ų71.62%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-115.8113171.5-58.9166.5000106.2T561 L562 I582 T607 Y612 M614T561-I577 WeakPolarHBondContact CA-O 3.33Å; L562-I577 HydrophobicContact CB-CB 4.21Å; L562-I577 HydrophobicContact CD2-CD1 4.15Å; L562-I577 PolarHBondContact N-O 3.43Å; L562-I577 WeakPolarHBondContact O-CB 3.48Å; L562-I577 PolarHBondContact O-N 3.42Å; I577-I582 HydrophobicContact CG2-CD1 3.95Å; I577-I582 HydrophobicContact CG2-CG1 3.68Å; I577-T607 HydrophobicContact CG2-CG2 3.7Å; I577-Y612 HydrophobicContact CD1-CD1 3.94Å; I577-Y612 HydrophobicContact CD1-CD2 3.9Å; I577-Y612 HydrophobicContact CD1-CE1 3.82Å; I577-Y612 HydrophobicContact CD1-CE2 3.78Å; I577-Y612 HydrophobicContact CD1-CG 3.98Å; I577-Y612 HydrophobicContact CG1-CE1 4.2Å; I577-Y612 HydrophobicContact CG1-CE2 3.92Å; I577-M614 HydrophobicContact CD1-CE 4.13Å
578Y94.3Very high91.9Very high145 Ų14570.2 Ų70.257%0.56934%0.335SS*.EExtended strand (participates in β ladder)trans-74.9140.9177-67-79.2000110T561 V576 Q580 A581T561-Y578 HydrophobicContact CG2-CD1 3.52Å; T561-Y578 HydrophobicContact CG2-CE1 3.65Å; T561-Y578 HydrophobicContact CG2-CG 4.4Å; V576-Y578 HydrophobicContact CG1-CD1 4.47Å; V576-Y578 HydrophobicContact CG1-CD2 4.47Å; V576-Y578 HydrophobicContact CG1-CE1 4.18Å; V576-Y578 HydrophobicContact CG1-CE2 4.18Å; Y578-Q580 VanDerWaalsContact C-N 3.26Å; Y578-Q580 PolarHBondContact O-N 3.38Å; Y578-A581 WeakPolarHBondContact O-CA 3.46Å; Y578-A581 VanDerWaalsContact O-CB 3.3Å; Y578-A581 WeakPolarHBondContact O-CB 3.32Å; Y578-A581 PolarHBondContact O-N 3.31Å
579F91.8Very high90.3Very high4 Ų471.2 Ų71.22%0.01834%0.341CS..G310 helixtrans-57.7-39.1179.9-751.2000113.5F555 R560 T561 L562 A581 I582 G632 E634F555-F579 HydrophobicContact CD1-CZ 4.16Å; F555-F579 AromaticContact CD2-CE1 3.52Å; F555-F579 HydrophobicContact CD2-CE1 3.52Å; F555-F579 AromaticContact CD2-CZ 3.45Å; F555-F579 HydrophobicContact CD2-CZ 3.45Å; F555-F579 VanDerWaalsContact CD2-CZ 3.45Å; F555-F579 HydrophobicContact CE1-CE2 4.27Å; F555-F579 AromaticContact CE1-CZ 3.8Å; F555-F579 HydrophobicContact CE1-CZ 3.8Å; F555-F579 HydrophobicContact CE2-CD1 4.34Å; F555-F579 AromaticContact CE2-CE1 3.36Å; F555-F579 HydrophobicContact CE2-CE1 3.36Å; F555-F579 AromaticContact CE2-CE2 3.79Å; F555-F579 HydrophobicContact CE2-CE2 3.79Å; F555-F579 AromaticContact CE2-CZ 3.05Å; F555-F579 HydrophobicContact CE2-CZ 3.05Å; F555-F579 HydrophobicContact CG-CE1 4.35Å; F555-F579 AromaticContact CG-CZ 3.99Å; F555-F579 HydrophobicContact CG-CZ 3.99Å; F555-F579 HydrophobicContact CZ-CE1 4.05Å; F555-F579 AromaticContact CZ-CE2 3.62Å; F555-F579 HydrophobicContact CZ-CE2 3.62Å; F555-F579 AromaticContact CZ-CZ 3.25Å; F555-F579 HydrophobicContact CZ-CZ 3.25Å; R560-F579 VanDerWaalsContact C-CG 3.5Å; R560-F579 VanDerWaalsContact CA-CD2 3.48Å; R560-F579 HydrophobicContact CB-CD2 3.87Å; R560-F579 HydrophobicContact CB-CE2 4.32Å; R560-F579 HydrophobicContact CB-CG 4.34Å; R560-F579 HydrophobicContact CG-CD2 4.43Å; R560-F579 WeakPolarHBondContact O-CG 3.47Å; R560-F579 PolarHBondContact O-N 3.41Å; R560-F579 VanDerWaalsContact O-N 3.09Å; T561-F579 WeakPolarHBondContact O-CE1 3.41Å; L562-F579 HydrophobicContact CB-CE1 4.41Å; F579-A581 PolarHBondContact O-N 3.29Å; F579-I582 HydrophobicContact CD1-CD1 4.37Å; F579-I582 PolarHBondContact O-N 2.67Å; F579-I582 VanDerWaalsContact O-N 3.15Å; F579-G632 WeakPolarHBondContact CB-O 3.46Å; F579-G632 WeakPolarHBondContact CD2-O 3.04Å; F579-G632 VanDerWaalsContact CG-O 3.22Å; F579-G632 WeakPolarHBondContact CG-O 3.48Å; F579-E634 PolarHBondContact O-N 3.45Å
580Q89.8Confident88.4Confident142 Ų14272.3 Ų72.366%0.66435%0.351SS*.G310 helixtrans-60.4-27.1174.6-171.9178.815.500112.3Y578 I582 H608Y578-Q580 VanDerWaalsContact C-N 3.26Å; Y578-Q580 PolarHBondContact O-N 3.38Å; Q580-I582 VanDerWaalsContact C-N 3.34Å; Q580-H608 PolarHBondContact O-CE1 3.38Å
581A91.2Very high86.7Confident22 Ų2280.8 Ų80.818%0.18238%0.38CS..G310 helixtrans-80.1-15.2-179.100000113.7Y578 F579 E583 T607 H608Y578-A581 WeakPolarHBondContact O-CA 3.46Å; Y578-A581 VanDerWaalsContact O-CB 3.3Å; Y578-A581 WeakPolarHBondContact O-CB 3.32Å; Y578-A581 PolarHBondContact O-N 3.31Å; F579-A581 PolarHBondContact O-N 3.29Å; A581-E583 PolarHBondContact O-N 3.12Å; A581-T607 HydrophobicContact CB-CG2 4.48Å; A581-T607 CarbonylContact O-C 3.21Å; A581-T607 WeakPolarHBondContact O-CA 3.41Å; A581-T607 WeakPolarHBondContact O-CB 3.37Å; A581-H608 WeakPolarHBondContact CA-ND1 3.37Å; A581-H608 PolarHBondContact O-N 3.43Å; A581-H608 PolarHBondContact O-ND1 2.94Å
582I91.8Very high85.1Confident0 Ų078.4 Ų78.40%037%0.368CS..EExtended strand (participates in β ladder)trans-84.7112.3-175.2-56.9174000108.9I577 F579 Q580 V585 V605 T607 I629 A633 G635I577-I582 HydrophobicContact CG2-CD1 3.95Å; I577-I582 HydrophobicContact CG2-CG1 3.68Å; F579-I582 HydrophobicContact CD1-CD1 4.37Å; F579-I582 PolarHBondContact O-N 2.67Å; F579-I582 VanDerWaalsContact O-N 3.15Å; Q580-I582 VanDerWaalsContact C-N 3.34Å; I582-V585 HydrophobicContact CG2-CG2 3.88Å; I582-V605 HydrophobicContact CD1-CG1 4.3Å; I582-V605 HydrophobicContact CG1-CG1 4.2Å; I582-V605 HydrophobicContact CG2-CG1 3.91Å; I582-T607 HydrophobicContact CG1-CG2 4.34Å; I582-I629 HydrophobicContact CD1-CG2 3.71Å; I582-A633 HydrophobicContact CB-CB 3.86Å; I582-A633 HydrophobicContact CG2-CB 3.68Å; I582-G635 WeakPolarHBondContact O-CA 3.19Å; I582-G635 PolarHBondContact O-N 3.22Å
583E88.4Confident83.3Confident58 Ų5872.7 Ų72.727%0.27135%0.345SS..EExtended strand (participates in β ladder)trans-83-45176.8-63.9-178.8175.200111.1A581 K606 H608A581-E583 PolarHBondContact O-N 3.12Å; E583-K606 PolarHBondContact N-O 3.12Å; E583-K606 WeakPolarHBondContact OE2-CE 3.31Å; E583-K606 IonicContact OE2-NZ 3.9Å; E583-K606 PolarHBondContact OE2-NZ 3.35Å; E583-H608 WeakPolarHBondContact OE1-CA 3.45Å; E583-H608 IonicContact OE1-CD2 3.15Å; E583-H608 PolarHBondContact OE1-CD2 3.41Å; E583-H608 IonicContact OE1-CG 2.71Å
584E87.2Confident81.5Confident97 Ų9772.5 Ų72.545%0.45336%0.357SS..EExtended strand (participates in β ladder)trans-152.7146.6-169.4-158.4-176.5-176.800111.3Y586 K606E584-Y586 HydrophobicContact CB-CD1 4.25Å; E584-Y586 HydrophobicContact CG-CD1 3.83Å; E584-K606 HydrophobicContact CB-CB 4.2Å; E584-K606 HydrophobicContact CB-CD 4.5Å; E584-K606 PolarHBondContact N-O 3.38Å; E584-K606 PolarHBondContact O-N 3.41Å
585V90.6Very high80.6Confident21 Ų2175.9 Ų75.913%0.12737%0.372CS..EExtended strand (participates in β ladder)trans-129.9120.8170.2-175.80000107.4I582 F603 C604 V605 M626 I629 V630I582-V585 HydrophobicContact CG2-CG2 3.88Å; V585-F603 HydrophobicContact CG1-CD2 4.18Å; V585-C604 WeakPolarHBondContact CA-O 3.39Å; V585-V605 HydrophobicContact CG1-CG2 4.34Å; V585-V605 HydrophobicContact CG2-CG1 4.35Å; V585-V605 HydrophobicContact CG2-CG2 4.41Å; V585-M626 HydrophobicContact CG1-CB 4.25Å; V585-M626 HydrophobicContact CG1-CE 4.47Å; V585-M626 HydrophobicContact CG1-CG 4.15Å; V585-I629 HydrophobicContact CG2-CB 4.27Å; V585-I629 HydrophobicContact CG2-CG2 3.64Å; V585-V630 HydrophobicContact CB-CG2 3.7Å; V585-V630 HydrophobicContact CG1-CG2 4.29Å; V585-V630 HydrophobicContact CG2-CG2 4.03Å
586Y89.2Confident80.1Confident70 Ų7075.6 Ų75.628%0.27537%0.367SS..EExtended strand (participates in β ladder)trans-143.7156.3-174.359-92.1000111.8E584 C604 K606E584-Y586 HydrophobicContact CB-CD1 4.25Å; E584-Y586 HydrophobicContact CG-CD1 3.83Å; Y586-C604 HydrophobicContact CD1-CB 4.3Å; Y586-C604 HydrophobicContact CD2-CB 3.95Å; Y586-C604 HydrophobicContact CE1-CB 3.96Å; Y586-C604 HydrophobicContact CE2-CB 3.54Å; Y586-C604 HydrophobicContact CG-CB 4.31Å; Y586-C604 PolarHBondContact N-O 2.92Å; Y586-C604 VanDerWaalsContact N-O 3.09Å; Y586-C604 PolarHBondContact O-N 3.02Å; Y586-K606 HydrophobicContact CE1-CB 4.28Å
587Y86.3Confident79.7Confident74 Ų7477.3 Ų77.329%0.2938%0.379SS..EExtended strand (participates in β ladder)trans-77.7132.5170-177.5-85.8000108.9H589 A600 M622Y587-H589 HydrophobicContact CD1-CB 4.5Å; Y587-H589 AromaticContact CD1-CD2 3.74Å; Y587-H589 AromaticContact CD1-CE1 3.2Å; Y587-H589 WeakPolarHBondContact CD1-CE1 3.37Å; Y587-H589 AromaticContact CD1-CG 3.64Å; Y587-H589 AromaticContact CD1-ND1 3.31Å; Y587-H589 VanDerWaalsContact CD1-ND1 3.31Å; Y587-H589 WeakPolarHBondContact CD1-ND1 3.42Å; Y587-H589 AromaticContact CD1-NE2 3.48Å; Y587-H589 WeakPolarHBondContact CD1-NE2 3.4Å; Y587-H589 AromaticContact CE1-CE1 3.77Å; Y587-H589 AromaticContact CE1-ND1 3.6Å; Y587-H589 AromaticContact CG-CE1 3.99Å; Y587-H589 AromaticContact CG-NE2 3.98Å; Y587-H589 PolarHBondContact O-CD2 3.08Å; Y587-H589 PolarHBondContact O-N 3.42Å; Y587-A600 PolarHBondContact OH-O 3.08Å; Y587-M622 HydrophobicContact CD2-CE 4.14Å; Y587-M622 HydrophobicContact CD2-SD 3.72Å; Y587-M622 HydrophobicContact CE2-CE 3.99Å; Y587-M622 HydrophobicContact CE2-SD 3.83Å
588D76.8Confident79.4Confident16 Ų1680 Ų809%0.08639%0.394CS..  trans-77.185.8-178.2-173.38000110.2L590 S592 A593D588-L590 VanDerWaalsContact C-N 3.27Å; D588-L590 PolarHBondContact O-N 3.29Å; D588-L590 PolarHBondContact OD1-N 3.09Å; D588-L590 VanDerWaalsContact OD1-O 3.12Å; D588-S592 WeakPolarHBondContact OD2-CB 3.49Å; D588-A593 HydrophobicContact CB-CB 4.46Å; D588-A593 PolarHBondContact OD2-N 2.9Å
589H62.8Low79.1Confident147 Ų14776 Ų7668%0.68139%0.386SS*.  trans-74-12.8-179.7-71.5-70.1000113.5Y587Y587-H589 HydrophobicContact CD1-CB 4.5Å; Y587-H589 AromaticContact CD1-CD2 3.74Å; Y587-H589 AromaticContact CD1-CE1 3.2Å; Y587-H589 WeakPolarHBondContact CD1-CE1 3.37Å; Y587-H589 AromaticContact CD1-CG 3.64Å; Y587-H589 AromaticContact CD1-ND1 3.31Å; Y587-H589 VanDerWaalsContact CD1-ND1 3.31Å; Y587-H589 WeakPolarHBondContact CD1-ND1 3.42Å; Y587-H589 AromaticContact CD1-NE2 3.48Å; Y587-H589 WeakPolarHBondContact CD1-NE2 3.4Å; Y587-H589 AromaticContact CE1-CE1 3.77Å; Y587-H589 AromaticContact CE1-ND1 3.6Å; Y587-H589 AromaticContact CG-CE1 3.99Å; Y587-H589 AromaticContact CG-NE2 3.98Å; Y587-H589 PolarHBondContact O-CD2 3.08Å; Y587-H589 PolarHBondContact O-N 3.42Å
590L53.8Low79Confident148 Ų14878.7 Ų78.778%0.77541%0.409SS*.SBendtrans-151.7124.3-169.1-69.3171.3000114.4D588 S592D588-L590 VanDerWaalsContact C-N 3.27Å; D588-L590 PolarHBondContact O-N 3.29Å; D588-L590 PolarHBondContact OD1-N 3.09Å; D588-L590 VanDerWaalsContact OD1-O 3.12Å; L590-S592 PolarHBondContact O-N 3.47Å
591R57.3Low79.1Confident239 Ų23973.2 Ų73.290%0.90238%0.384SS*.SBendtrans72.2-33.6162.4-80.6-178.6-177.5-94.2-0.6121
592S59Low79.2Confident55 Ų5572.2 Ų72.239%0.38538%0.375SS..SBendtrans-91.5-25.3-177.4-730000114.4D588 L590 A594 K595 Y613D588-S592 WeakPolarHBondContact OD2-CB 3.49Å; L590-S592 PolarHBondContact O-N 3.47Å; S592-A594 PolarHBondContact O-N 3.42Å; S592-A594 VanDerWaalsContact O-N 3.11Å; S592-K595 PolarHBondContact O-N 2.87Å; S592-Y613 PolarHBondContact OG-OH 2.82Å
593A57Low79.3Confident13 Ų1372.2 Ų72.211%0.10738%0.375CS..G310 helixtrans-57-23.8174.900000113.4D588 K595 S596 P599D588-A593 HydrophobicContact CB-CB 4.46Å; D588-A593 PolarHBondContact OD2-N 2.9Å; A593-K595 PolarHBondContact O-N 3.39Å; A593-K595 VanDerWaalsContact O-N 3.13Å; A593-S596 WeakPolarHBondContact O-CA 3.42Å; A593-S596 WeakPolarHBondContact O-CB 3.41Å; A593-S596 PolarHBondContact O-N 3.45Å; A593-P599 HydrophobicContact CB-CB 3.83Å; A593-P599 WeakPolarHBondContact O-CG 3.44Å
594A60.7Low79.5Confident88 Ų8869.4 Ų69.473%0.72736%0.362SS*.G310 helixtrans-60.6-23.3178.800000114.3S592S592-A594 PolarHBondContact O-N 3.42Å; S592-A594 VanDerWaalsContact O-N 3.11Å
595K76.8Confident79.8Confident182 Ų18264.8 Ų64.879%0.79134%0.341SS*.G310 helixtrans-94.1-0.1174.2-64.6-177.2179.9178.70113.1W548 S592 A593W548-K595 PolarHBondContact NE1-O 3.3Å; S592-K595 PolarHBondContact O-N 2.87Å; A593-K595 PolarHBondContact O-N 3.39Å; A593-K595 VanDerWaalsContact O-N 3.13Å
596S85.4Confident79.8Confident12 Ų1267.6 Ų67.68%0.08435%0.351CS..SBendtrans-76.7143.9176.8-176.20000110.8W548 A593 N598 T602 V615W548-S596 VanDerWaalsContact CZ2-CA 3.49Å; A593-S596 WeakPolarHBondContact O-CA 3.42Å; A593-S596 WeakPolarHBondContact O-CB 3.41Å; A593-S596 PolarHBondContact O-N 3.45Å; S596-N598 PolarHBondContact O-N 3.44Å; S596-N598 PolarHBondContact OG-N 3.44Å; S596-N598 PolarHBondContact OG-O 2.92Å; S596-T602 VanDerWaalsContact CB-OG1 3.23Å; S596-T602 WeakPolarHBondContact CB-OG1 3.47Å; S596-T602 PolarHBondContact OG-OG1 3.46Å; S596-V615 WeakPolarHBondContact OG-CG2 3.26Å
597P87.9Confident80Confident86 Ų8664.6 Ų64.656%0.55834%0.34SS*.SBendtrans-62.2-22.9169.327.1-36.1000112.8W548 V615W548-P597 VanDerWaalsContact CD2-CD 3.48Å; W548-P597 HydrophobicContact CD2-CG 4.16Å; W548-P597 VanDerWaalsContact CE2-CD 3.44Å; W548-P597 HydrophobicContact CE3-CG 4.38Å; W548-P597 HydrophobicContact CG-CG 4.26Å; P597-V615 HydrophobicContact CG-CG2 4.11Å
598N89.2Confident80.1Confident62 Ų6265.4 Ų65.433%0.33235%0.346SS..  trans-147.892.6172.8-170-27.1000110.6S596 A600 L601 T602 V615S596-N598 PolarHBondContact O-N 3.44Å; S596-N598 PolarHBondContact OG-N 3.44Å; S596-N598 PolarHBondContact OG-O 2.92Å; N598-A600 VanDerWaalsContact C-N 3.34Å; N598-A600 PolarHBondContact O-N 3.38Å; N598-A600 PolarHBondContact OD1-N 3.04Å; N598-L601 HydrophobicContact CB-CB 4.28Å; N598-L601 WeakPolarHBondContact ND2-CD1 3.43Å; N598-L601 CarbonylContact O-C 3.48Å; N598-L601 PolarHBondContact O-N 3.43Å; N598-L601 VanDerWaalsContact O-N 3.13Å; N598-L601 PolarHBondContact OD1-N 3.29Å; N598-T602 PolarHBondContact O-N 2.95Å; N598-T602 PolarHBondContact O-OG1 2.98Å; N598-V615 HydrophobicContact CB-CG1 3.95Å
599P88.2Confident80.6Confident60 Ų6071 Ų7139%0.3938%0.376SS..G310 helixtrans-56.3-43.6-177-23.530.9000113.5A593 L601 T602A593-P599 HydrophobicContact CB-CB 3.83Å; A593-P599 WeakPolarHBondContact O-CG 3.44Å; P599-L601 PolarHBondContact O-N 3.5Å; P599-T602 WeakPolarHBondContact O-CB 3.41Å; P599-T602 PolarHBondContact O-N 2.97Å; P599-T602 VanDerWaalsContact O-N 3.11Å
600A89.2Confident82Confident61 Ų6167.5 Ų67.550%0.50436%0.357SS..G310 helixtrans-65.9-21.4-178.700000113.2Y587 N598Y587-A600 PolarHBondContact OH-O 3.08Å; N598-A600 VanDerWaalsContact C-N 3.34Å; N598-A600 PolarHBondContact O-N 3.38Å; N598-A600 PolarHBondContact OD1-N 3.04Å
601L92.2Very high83.8Confident26 Ų2663.1 Ų63.114%0.13633%0.334CS..G310 helixtrans-108.921.9177.1-58.5-174.7000112.9N598 P599 V615 A616 A619 M622N598-L601 HydrophobicContact CB-CB 4.28Å; N598-L601 WeakPolarHBondContact ND2-CD1 3.43Å; N598-L601 CarbonylContact O-C 3.48Å; N598-L601 PolarHBondContact O-N 3.43Å; N598-L601 VanDerWaalsContact O-N 3.13Å; N598-L601 PolarHBondContact OD1-N 3.29Å; P599-L601 PolarHBondContact O-N 3.5Å; L601-V615 HydrophobicContact CB-CG1 4.28Å; L601-V615 VanDerWaalsContact O-CA 3.28Å; L601-V615 WeakPolarHBondContact O-CA 3.32Å; L601-A616 WeakPolarHBondContact CD1-O 3.38Å; L601-A616 PolarHBondContact O-N 3.33Å; L601-A619 HydrophobicContact CD2-CB 4.06Å; L601-M622 HydrophobicContact CB-CE 4.37Å; L601-M622 WeakPolarHBondContact O-CE 3.44Å
602T92.8Very high85.5Confident1 Ų152.6 Ų52.61%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-101.1133.5177-53.80000113.3S596 N598 P599 M614 V615 M622S596-T602 VanDerWaalsContact CB-OG1 3.23Å; S596-T602 WeakPolarHBondContact CB-OG1 3.47Å; S596-T602 PolarHBondContact OG-OG1 3.46Å; N598-T602 PolarHBondContact O-N 2.95Å; N598-T602 PolarHBondContact O-OG1 2.98Å; P599-T602 WeakPolarHBondContact O-CB 3.41Å; P599-T602 PolarHBondContact O-N 2.97Å; P599-T602 VanDerWaalsContact O-N 3.11Å; T602-M614 CarbonylContact C-O 3.47Å; T602-M614 VanDerWaalsContact CA-O 3.32Å; T602-M614 WeakPolarHBondContact CA-O 3.49Å; T602-V615 HydrophobicContact CG2-CG2 4.44Å; T602-M622 VanDerWaalsContact C-CE 3.44Å; T602-M622 WeakPolarHBondContact O-CE 3.22Å
603F93.7Very high87.2Confident0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-134.2163.2169.972-81.8000111.2L538 V585 V605 M614 M622 W625 M626 I629L538-F603 HydrophobicContact CD1-CE1 4.43Å; L538-F603 HydrophobicContact CD1-CZ 4.01Å; L538-F603 HydrophobicContact CD2-CE1 4.23Å; V585-F603 HydrophobicContact CG1-CD2 4.18Å; F603-V605 HydrophobicContact CD2-CG2 4.24Å; F603-V605 HydrophobicContact CE2-CG2 3.81Å; F603-M614 HydrophobicContact CD1-CB 4.14Å; F603-M614 HydrophobicContact CE1-CB 3.65Å; F603-M614 HydrophobicContact CE2-CB 4.14Å; F603-M614 HydrophobicContact CE2-CG 4.48Å; F603-M614 HydrophobicContact CE2-SD 4.03Å; F603-M614 HydrophobicContact CZ-CB 3.66Å; F603-M614 HydrophobicContact CZ-CG 4.28Å; F603-M614 HydrophobicContact CZ-SD 3.83Å; F603-M614 PolarHBondContact N-O 3.46Å; F603-M614 PolarHBondContact O-N 2.88Å; F603-M622 HydrophobicContact CB-CE 4.28Å; F603-M622 HydrophobicContact CD1-CE 4.29Å; F603-M622 HydrophobicContact CD1-CG 4.02Å; F603-W625 HydrophobicContact CE1-CB 4.36Å; F603-W625 HydrophobicContact CZ-CB 3.96Å; F603-M626 HydrophobicContact CB-CE 4.4Å; F603-M626 HydrophobicContact CB-CG 4.01Å; F603-M626 HydrophobicContact CB-SD 3.73Å; F603-M626 HydrophobicContact CD1-CG 4.37Å; F603-M626 HydrophobicContact CD2-CG 3.65Å; F603-M626 HydrophobicContact CD2-SD 4.49Å; F603-M626 HydrophobicContact CE2-CG 4.17Å; F603-M626 HydrophobicContact CG-CG 3.76Å; F603-M626 HydrophobicContact CG-SD 4.13Å; F603-I629 HydrophobicContact CE2-CD1 4Å; F603-I629 HydrophobicContact CZ-CD1 4.33Å
604C92.7Very high89Confident0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-115.4138.3-174.6-73.40000111.3V585 Y586 L611 Y612 Y613V585-C604 WeakPolarHBondContact CA-O 3.39Å; Y586-C604 HydrophobicContact CD1-CB 4.3Å; Y586-C604 HydrophobicContact CD2-CB 3.95Å; Y586-C604 HydrophobicContact CE1-CB 3.96Å; Y586-C604 HydrophobicContact CE2-CB 3.54Å; Y586-C604 HydrophobicContact CG-CB 4.31Å; Y586-C604 PolarHBondContact N-O 2.92Å; Y586-C604 VanDerWaalsContact N-O 3.09Å; Y586-C604 PolarHBondContact O-N 3.02Å; C604-L611 HydrophobicContact CB-CD1 3.99Å; C604-Y612 WeakPolarHBondContact CA-O 3.39Å; C604-Y613 WeakPolarHBondContact SG-CD1 3.28Å; C604-Y613 VanDerWaalsContact SG-CE1 3.53Å
605V93.4Very high90.6Very high0 Ų047.3 Ų47.30%025%0.246CC..EExtended strand (participates in β ladder)trans-117.5110.2166.7-177.40000107.3I582 V585 F603 Y612 M614 I629I582-V605 HydrophobicContact CD1-CG1 4.3Å; I582-V605 HydrophobicContact CG1-CG1 4.2Å; I582-V605 HydrophobicContact CG2-CG1 3.91Å; V585-V605 HydrophobicContact CG1-CG2 4.34Å; V585-V605 HydrophobicContact CG2-CG1 4.35Å; V585-V605 HydrophobicContact CG2-CG2 4.41Å; F603-V605 HydrophobicContact CD2-CG2 4.24Å; F603-V605 HydrophobicContact CE2-CG2 3.81Å; V605-Y612 PolarHBondContact N-O 3.44Å; V605-Y612 PolarHBondContact O-N 2.8Å; V605-M614 HydrophobicContact CB-CE 4.11Å; V605-M614 HydrophobicContact CG2-CE 3.74Å; V605-M614 HydrophobicContact CG2-SD 4.11Å; V605-I629 HydrophobicContact CG1-CG2 4.33Å; V605-I629 HydrophobicContact CG2-CD1 4.07Å; V605-I629 HydrophobicContact CG2-CG2 4.42Å
606K91.6Very high91.6Very high79 Ų7938.9 Ų38.934%0.34321%0.21SC..EExtended strand (participates in β ladder)trans-92.3120.6179.8-171.6-172.4179.1-139.40109.4E583 E584 Y586 L611E583-K606 PolarHBondContact N-O 3.12Å; E583-K606 WeakPolarHBondContact OE2-CE 3.31Å; E583-K606 IonicContact OE2-NZ 3.9Å; E583-K606 PolarHBondContact OE2-NZ 3.35Å; E584-K606 HydrophobicContact CB-CB 4.2Å; E584-K606 HydrophobicContact CB-CD 4.5Å; E584-K606 PolarHBondContact N-O 3.38Å; E584-K606 PolarHBondContact O-N 3.41Å; Y586-K606 HydrophobicContact CE1-CB 4.28Å; K606-L611 HydrophobicContact CB-CD1 3.97Å; K606-L611 HydrophobicContact CG-CD1 4.37Å
607T92.7Very high92.1Very high7 Ų741.1 Ų41.14%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-107.3165.8168.267.10000110.9I577 A581 I582 D609 R610 Y612I577-T607 HydrophobicContact CG2-CG2 3.7Å; A581-T607 HydrophobicContact CB-CG2 4.48Å; A581-T607 CarbonylContact O-C 3.21Å; A581-T607 WeakPolarHBondContact O-CA 3.41Å; A581-T607 WeakPolarHBondContact O-CB 3.37Å; I582-T607 HydrophobicContact CG1-CG2 4.34Å; T607-D609 PolarHBondContact O-N 2.91Å; T607-D609 VanDerWaalsContact O-N 3.09Å; T607-D609 PolarHBondContact OG1-OD1 2.93Å; T607-R610 PolarHBondContact N-O 3.38Å; T607-R610 PolarHBondContact O-N 2.88Å; T607-R610 PolarHBondContact OG1-N 2.91Å; T607-R610 PolarHBondContact OG1-O 3.44Å; T607-Y612 HydrophobicContact CG2-CD2 4.15Å; T607-Y612 HydrophobicContact CG2-CE2 3.86Å
608H88.7Confident92.4Very high92 Ų9238.4 Ų38.443%0.42621%0.208SC..SBendtrans-51.5-33.8178.3-55.2111.7000113.9Q580 A581 E583 Q638Q580-H608 PolarHBondContact O-CE1 3.38Å; A581-H608 WeakPolarHBondContact CA-ND1 3.37Å; A581-H608 PolarHBondContact O-N 3.43Å; A581-H608 PolarHBondContact O-ND1 2.94Å; E583-H608 WeakPolarHBondContact OE1-CA 3.45Å; E583-H608 IonicContact OE1-CD2 3.15Å; E583-H608 PolarHBondContact OE1-CD2 3.41Å; E583-H608 IonicContact OE1-CG 2.71Å; H608-Q638 PolarHBondContact NE2-NE2 3.45Å
609D88.5Confident92.5Very high133 Ų13338.1 Ų38.171%0.71121%0.214SC*.SBendtrans-111.4-11.4-172.667.7-29.7000113.6T607T607-D609 PolarHBondContact O-N 2.91Å; T607-D609 VanDerWaalsContact O-N 3.09Å; T607-D609 PolarHBondContact OG1-OD1 2.93Å
610R91.3Very high92.8Very high73 Ų7337 Ų3728%0.27520%0.203SC..  trans-160.5140.9-169.5-173.8164.8171.9-169.7-6.9114.6G543 T607 Y612G543-R610 VanDerWaalsContact CA-NH2 3.3Å; T607-R610 PolarHBondContact N-O 3.38Å; T607-R610 PolarHBondContact O-N 2.88Å; T607-R610 PolarHBondContact OG1-N 2.91Å; T607-R610 PolarHBondContact OG1-O 3.44Å; R610-Y612 HydrophobicContact CB-CE2 3.93Å; R610-Y612 HydrophobicContact CG-CD2 4.22Å; R610-Y612 HydrophobicContact CG-CE2 3.86Å
611L91.6Very high93.1Very high57 Ų5734.1 Ų34.130%0.29818%0.179SC..EExtended strand (participates in β ladder)trans-96.3123.8167.3-172.856.7000111.2C604 K606 Y613C604-L611 HydrophobicContact CB-CD1 3.99Å; K606-L611 HydrophobicContact CB-CD1 3.97Å; K606-L611 HydrophobicContact CG-CD1 4.37Å; L611-Y613 HydrophobicContact CB-CE2 4.32Å; L611-Y613 HydrophobicContact CD2-CE1 4.31Å; L611-Y613 HydrophobicContact CD2-CE2 3.65Å; L611-Y613 VanDerWaalsContact CD2-CZ 3.47Å; L611-Y613 WeakPolarHBondContact CD2-OH 3.42Å; L611-Y613 HydrophobicContact CG-CD2 4.25Å; L611-Y613 HydrophobicContact CG-CE2 3.69Å
612Y93.9Very high93.2Very high17 Ų1733.3 Ų33.37%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-102.8120.4175-65.4-94.9000110.4I577 C604 V605 T607 R610 M614I577-Y612 HydrophobicContact CD1-CD1 3.94Å; I577-Y612 HydrophobicContact CD1-CD2 3.9Å; I577-Y612 HydrophobicContact CD1-CE1 3.82Å; I577-Y612 HydrophobicContact CD1-CE2 3.78Å; I577-Y612 HydrophobicContact CD1-CG 3.98Å; I577-Y612 HydrophobicContact CG1-CE1 4.2Å; I577-Y612 HydrophobicContact CG1-CE2 3.92Å; C604-Y612 WeakPolarHBondContact CA-O 3.39Å; V605-Y612 PolarHBondContact N-O 3.44Å; V605-Y612 PolarHBondContact O-N 2.8Å; T607-Y612 HydrophobicContact CG2-CD2 4.15Å; T607-Y612 HydrophobicContact CG2-CE2 3.86Å; R610-Y612 HydrophobicContact CB-CE2 3.93Å; R610-Y612 HydrophobicContact CG-CD2 4.22Å; R610-Y612 HydrophobicContact CG-CE2 3.86Å; Y612-M614 HydrophobicContact CG-CE 4.28Å
613Y93.1Very high93.2Very high36 Ų3638.8 Ų38.814%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-96.3125.9170.6-63-96.3000109.1K540 M541 S592 C604 L611K540-Y613 VanDerWaalsContact CA-O 3.31Å; K540-Y613 WeakPolarHBondContact CA-O 3.48Å; M541-Y613 HydrophobicContact CE-CD2 3.08Å; M541-Y613 HydrophobicContact CE-CE2 3.54Å; M541-Y613 HydrophobicContact CE-CG 3.62Å; M541-Y613 PolarHBondContact N-O 3.34Å; S592-Y613 PolarHBondContact OG-OH 2.82Å; C604-Y613 WeakPolarHBondContact SG-CD1 3.28Å; C604-Y613 VanDerWaalsContact SG-CE1 3.53Å; L611-Y613 HydrophobicContact CB-CE2 4.32Å; L611-Y613 HydrophobicContact CD2-CE1 4.31Å; L611-Y613 HydrophobicContact CD2-CE2 3.65Å; L611-Y613 VanDerWaalsContact CD2-CZ 3.47Å; L611-Y613 WeakPolarHBondContact CD2-OH 3.42Å; L611-Y613 HydrophobicContact CG-CD2 4.25Å; L611-Y613 HydrophobicContact CG-CE2 3.69Å
614M95.1Very high93.2Very high0 Ų038.8 Ų38.80%020%0.196CC..EExtended strand (participates in β ladder)trans-128.6137.1-175.1-57.4-169-169.400110.2L538 V539 F553 L562 I577 T602 F603 V605 Y612L538-M614 HydrophobicContact CD1-CB 4.47Å; L538-M614 HydrophobicContact CD1-SD 3.77Å; V539-M614 CarbonylContact O-C 3.57Å; V539-M614 WeakPolarHBondContact O-CA 3.45Å; F553-M614 HydrophobicContact CE1-CE 3.82Å; F553-M614 HydrophobicContact CE1-SD 4.13Å; F553-M614 HydrophobicContact CZ-CE 4.16Å; F553-M614 HydrophobicContact CZ-SD 4.21Å; L562-M614 HydrophobicContact CD2-CE 4.2Å; I577-M614 HydrophobicContact CD1-CE 4.13Å; T602-M614 CarbonylContact C-O 3.47Å; T602-M614 VanDerWaalsContact CA-O 3.32Å; T602-M614 WeakPolarHBondContact CA-O 3.49Å; F603-M614 HydrophobicContact CD1-CB 4.14Å; F603-M614 HydrophobicContact CE1-CB 3.65Å; F603-M614 HydrophobicContact CE2-CB 4.14Å; F603-M614 HydrophobicContact CE2-CG 4.48Å; F603-M614 HydrophobicContact CE2-SD 4.03Å; F603-M614 HydrophobicContact CZ-CB 3.66Å; F603-M614 HydrophobicContact CZ-CG 4.28Å; F603-M614 HydrophobicContact CZ-SD 3.83Å; F603-M614 PolarHBondContact N-O 3.46Å; F603-M614 PolarHBondContact O-N 2.88Å; V605-M614 HydrophobicContact CB-CE 4.11Å; V605-M614 HydrophobicContact CG2-CE 3.74Å; V605-M614 HydrophobicContact CG2-SD 4.11Å; Y612-M614 HydrophobicContact CG-CE 4.28Å
615V95.6Very high93.4Very high10 Ų1038.8 Ų38.86%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-114123.5176.3-179.30000108.4V539 W548 S596 P597 N598 L601 T602V539-V615 HydrophobicContact CB-CB 4.17Å; V539-V615 PolarHBondContact N-O 3.44Å; V539-V615 PolarHBondContact O-N 2.88Å; W548-V615 HydrophobicContact CE3-CG2 4.12Å; W548-V615 HydrophobicContact CH2-CG2 4.24Å; W548-V615 HydrophobicContact CZ3-CG2 3.64Å; S596-V615 WeakPolarHBondContact OG-CG2 3.26Å; P597-V615 HydrophobicContact CG-CG2 4.11Å; N598-V615 HydrophobicContact CB-CG1 3.95Å; L601-V615 HydrophobicContact CB-CG1 4.28Å; L601-V615 VanDerWaalsContact O-CA 3.28Å; L601-V615 WeakPolarHBondContact O-CA 3.32Å; T602-V615 HydrophobicContact CG2-CG2 4.44Å
616A96.4Very high93.4Very high4 Ų439.9 Ų39.93%0.03320%0.201CC..  trans-86.1154.2176.500000111.2L538 L601 S618 A621 M622L538-A616 HydrophobicContact CD2-CB 4.07Å; L601-A616 WeakPolarHBondContact CD1-O 3.38Å; L601-A616 PolarHBondContact O-N 3.33Å; A616-S618 VanDerWaalsContact C-N 3.31Å; A616-A621 HydrophobicContact CB-CB 4.45Å; A616-M622 HydrophobicContact CB-CB 3.6Å
617P95.8Very high93.3Very high60 Ų6036.9 Ų36.939%0.3919%0.189SC..SBendtrans-74.4-19.8177.229-34.5000113.5H526 A621H526-P617 HydrophobicContact CB-CG 3.58Å; P617-A621 HydrophobicContact CG-CB 3.93Å
618S94.8Very high93.3Very high29 Ų2936.6 Ų36.620%0.20319%0.187CC..SBendtrans-151.9163.3176.972.30000111.4A616 E620 A621 M622A616-S618 VanDerWaalsContact C-N 3.31Å; S618-E620 VanDerWaalsContact C-N 3.31Å; S618-E620 PolarHBondContact O-N 2.83Å; S618-A621 PolarHBondContact O-N 2.8Å; S618-A621 WeakPolarHBondContact OG-CB 3.43Å; S618-A621 PolarHBondContact OG-N 2.88Å; S618-A621 VanDerWaalsContact OG-N 3.12Å; S618-M622 PolarHBondContact O-N 3.19Å
619A92.3Very high93.6Very high56 Ų5632.2 Ų32.246%0.46317%0.166SC..Hα-helixtrans-62.1-37.7176.400000112L601 M622 R623L601-A619 HydrophobicContact CD2-CB 4.06Å; A619-M622 PolarHBondContact O-N 2.88Å; A619-R623 VanDerWaalsContact O-CG 3.31Å; A619-R623 WeakPolarHBondContact O-CG 3.49Å; A619-R623 PolarHBondContact O-N 3.44Å; A619-R623 VanDerWaalsContact O-N 3.14Å
620E92.9Very high93.6Very high36 Ų3626.8 Ų26.817%0.16814%0.138CC..Hα-helixtrans-63.8-47.7174.1-172.864.7-169.700111.4H519 G520 C524 S618 M622 R623 I624H519-E620 IonicContact ND1-OE1 3.93Å; G520-E620 PolarHBondContact N-OE1 3.43Å; G520-E620 VanDerWaalsContact N-OE1 3.13Å; C524-E620 HydrophobicContact CB-CG 3.87Å; S618-E620 VanDerWaalsContact C-N 3.31Å; S618-E620 PolarHBondContact O-N 2.83Å; E620-M622 VanDerWaalsContact C-N 3.31Å; E620-M622 PolarHBondContact O-N 3.43Å; E620-R623 PolarHBondContact O-N 3.4Å; E620-R623 IonicContact OE2-CZ 2.92Å; E620-R623 IonicContact OE2-NE 2.7Å; E620-R623 IonicContact OE2-NH1 3.14Å; E620-R623 IonicContact OE2-NH2 3.89Å; E620-R623 PolarHBondContact OE2-NH2 3.49Å; E620-I624 HydrophobicContact CG-CD1 3.96Å; E620-I624 WeakPolarHBondContact O-CG1 3.45Å; E620-I624 PolarHBondContact O-N 2.93Å
621A95.4Very high93.4Very high0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-61.8-39.6179.100000111.9H526 V527 A616 P617 S618 W625H526-A621 HydrophobicContact CB-CB 4.04Å; V527-A621 HydrophobicContact CG2-CB 4.09Å; A616-A621 HydrophobicContact CB-CB 4.45Å; P617-A621 HydrophobicContact CG-CB 3.93Å; S618-A621 PolarHBondContact O-N 2.8Å; S618-A621 WeakPolarHBondContact OG-CB 3.43Å; S618-A621 PolarHBondContact OG-N 2.88Å; S618-A621 VanDerWaalsContact OG-N 3.12Å; A621-W625 WeakPolarHBondContact O-CB 3.31Å; A621-W625 PolarHBondContact O-N 2.83Å
622M94.4Very high93.1Very high10 Ų1021.3 Ų21.35%0.04912%0.117CC..Hα-helixtrans-56.5-54173.5171.8-172-85.100111.1Y587 L601 T602 F603 A616 S618 A619 E620 I624 W625 M626Y587-M622 HydrophobicContact CD2-CE 4.14Å; Y587-M622 HydrophobicContact CD2-SD 3.72Å; Y587-M622 HydrophobicContact CE2-CE 3.99Å; Y587-M622 HydrophobicContact CE2-SD 3.83Å; L601-M622 HydrophobicContact CB-CE 4.37Å; L601-M622 WeakPolarHBondContact O-CE 3.44Å; T602-M622 VanDerWaalsContact C-CE 3.44Å; T602-M622 WeakPolarHBondContact O-CE 3.22Å; F603-M622 HydrophobicContact CB-CE 4.28Å; F603-M622 HydrophobicContact CD1-CE 4.29Å; F603-M622 HydrophobicContact CD1-CG 4.02Å; A616-M622 HydrophobicContact CB-CB 3.6Å; S618-M622 PolarHBondContact O-N 3.19Å; A619-M622 PolarHBondContact O-N 2.88Å; E620-M622 VanDerWaalsContact C-N 3.31Å; E620-M622 PolarHBondContact O-N 3.43Å; M622-I624 VanDerWaalsContact C-N 3.29Å; M622-I624 PolarHBondContact O-N 3.34Å; M622-W625 PolarHBondContact O-N 3.43Å; M622-W625 VanDerWaalsContact O-N 3.16Å; M622-M626 HydrophobicContact CG-CG 4.29Å; M622-M626 HydrophobicContact CG-SD 3.76Å; M622-M626 WeakPolarHBondContact O-CG 3.31Å; M622-M626 PolarHBondContact O-N 3.04Å; M622-M626 HydrophobicContact SD-SD 4.24Å
623R92.9Very high92.7Very high116 Ų11621 Ų2144%0.43812%0.118SC..Hα-helixtrans-60.5-41.5-175.5-71.1-174.7-68.2158.4-15.5111.4A619 E620 D627A619-R623 VanDerWaalsContact O-CG 3.31Å; A619-R623 WeakPolarHBondContact O-CG 3.49Å; A619-R623 PolarHBondContact O-N 3.44Å; A619-R623 VanDerWaalsContact O-N 3.14Å; E620-R623 PolarHBondContact O-N 3.4Å; E620-R623 IonicContact OE2-CZ 2.92Å; E620-R623 IonicContact OE2-NE 2.7Å; E620-R623 IonicContact OE2-NH1 3.14Å; E620-R623 IonicContact OE2-NH2 3.89Å; E620-R623 PolarHBondContact OE2-NH2 3.49Å; R623-D627 PolarHBondContact O-N 2.95Å; R623-D627 VanDerWaalsContact O-N 3.14Å
624I94.2Very high91.7Very high0 Ų020.4 Ų20.40%012%0.117CC..Hα-helixtrans-62.2-49.3174.1-68.9170.5000110.9I514 H519 C524 V527 L529 E620 M622 M626 D627 V628I514-I624 HydrophobicContact CG2-CG2 4.31Å; H519-I624 HydrophobicContact CB-CD1 4.23Å; H519-I624 HydrophobicContact CB-CG1 3.79Å; C524-I624 HydrophobicContact CB-CD1 3.73Å; V527-I624 HydrophobicContact CG1-CG2 4.08Å; V527-I624 HydrophobicContact CG2-CG2 4.44Å; L529-I624 HydrophobicContact CD1-CG2 3.75Å; E620-I624 HydrophobicContact CG-CD1 3.96Å; E620-I624 WeakPolarHBondContact O-CG1 3.45Å; E620-I624 PolarHBondContact O-N 2.93Å; M622-I624 VanDerWaalsContact C-N 3.29Å; M622-I624 PolarHBondContact O-N 3.34Å; I624-M626 PolarHBondContact O-N 3.28Å; I624-D627 PolarHBondContact O-N 2.82Å; I624-V628 HydrophobicContact CG2-CG2 4.14Å; I624-V628 WeakPolarHBondContact O-CB 3.38Å; I624-V628 WeakPolarHBondContact O-CG2 3.33Å; I624-V628 PolarHBondContact O-N 3.23Å
625W96.1Very high90Very high0 Ų020.7 Ų20.70%012%0.12CC..Hα-helixtrans-61.4-43.6-179.4-88.6113000112.6L538 F553 F555 L562 F603 A621 M622 V628 I629L538-W625 HydrophobicContact CD1-CD2 3.85Å; L538-W625 HydrophobicContact CD1-CE3 4.31Å; L538-W625 HydrophobicContact CD1-CG 4.01Å; L538-W625 HydrophobicContact CD1-CZ2 4.46Å; L538-W625 HydrophobicContact CD2-CG 4.13Å; L538-W625 HydrophobicContact CG-CD2 4.39Å; L538-W625 HydrophobicContact CG-CG 4.41Å; F553-W625 HydrophobicContact CB-CH2 3.6Å; F553-W625 HydrophobicContact CB-CZ2 3.97Å; F553-W625 HydrophobicContact CB-CZ3 4.23Å; F555-W625 HydrophobicContact CB-CZ3 4.16Å; L562-W625 HydrophobicContact CD1-CZ3 3.85Å; F603-W625 HydrophobicContact CE1-CB 4.36Å; F603-W625 HydrophobicContact CZ-CB 3.96Å; A621-W625 WeakPolarHBondContact O-CB 3.31Å; A621-W625 PolarHBondContact O-N 2.83Å; M622-W625 PolarHBondContact O-N 3.43Å; M622-W625 VanDerWaalsContact O-N 3.16Å; W625-V628 PolarHBondContact O-N 3.47Å; W625-I629 HydrophobicContact CE3-CD1 4.16Å; W625-I629 HydrophobicContact CE3-CG1 4.3Å; W625-I629 WeakPolarHBondContact O-CB 3.34Å; W625-I629 WeakPolarHBondContact O-CD1 3.27Å; W625-I629 WeakPolarHBondContact O-CG1 3.38Å; W625-I629 PolarHBondContact O-N 3.47Å
626M93.6Very high88Confident23 Ų2326.5 Ų26.511%0.11314%0.141CC..Hα-helixtrans-59.2-49.5176.8-71178.669.600110.8V585 F603 M622 I624 V628 I629 V630V585-M626 HydrophobicContact CG1-CB 4.25Å; V585-M626 HydrophobicContact CG1-CE 4.47Å; V585-M626 HydrophobicContact CG1-CG 4.15Å; F603-M626 HydrophobicContact CB-CE 4.4Å; F603-M626 HydrophobicContact CB-CG 4.01Å; F603-M626 HydrophobicContact CB-SD 3.73Å; F603-M626 HydrophobicContact CD1-CG 4.37Å; F603-M626 HydrophobicContact CD2-CG 3.65Å; F603-M626 HydrophobicContact CD2-SD 4.49Å; F603-M626 HydrophobicContact CE2-CG 4.17Å; F603-M626 HydrophobicContact CG-CG 3.76Å; F603-M626 HydrophobicContact CG-SD 4.13Å; M622-M626 HydrophobicContact CG-CG 4.29Å; M622-M626 HydrophobicContact CG-SD 3.76Å; M622-M626 WeakPolarHBondContact O-CG 3.31Å; M622-M626 PolarHBondContact O-N 3.04Å; M622-M626 HydrophobicContact SD-SD 4.24Å; I624-M626 PolarHBondContact O-N 3.28Å; M626-V628 PolarHBondContact O-N 2.83Å; M626-I629 PolarHBondContact O-N 2.84Å; M626-V630 WeakPolarHBondContact O-CB 3.27Å; M626-V630 VanDerWaalsContact O-CG2 3.23Å; M626-V630 WeakPolarHBondContact O-CG2 3.38Å; M626-V630 PolarHBondContact O-N 3.49Å
627D90.9Very high86Confident16 Ų1628.1 Ų28.19%0.08615%0.151CC..Hα-helixtrans-67.2-39.2-177.6-71.610.7000112.2R495 I514 H519 R623 I624 V630 T631R495-D627 IonicContact CZ-OD1 3.49Å; R495-D627 VanDerWaalsContact CZ-OD1 3.23Å; R495-D627 IonicContact CZ-OD2 3.62Å; R495-D627 IonicContact NH1-OD1 3.43Å; R495-D627 PolarHBondContact NH1-OD1 2.73Å; R495-D627 IonicContact NH1-OD2 2.67Å; R495-D627 IonicContact NH2-OD1 2.78Å; R495-D627 PolarHBondContact NH2-OD1 3.3Å; R495-D627 VanDerWaalsContact NH2-OD1 3.08Å; R495-D627 IonicContact NH2-OD2 3.94Å; R495-D627 PolarHBondContact NH2-OD2 2.73Å; I514-D627 HydrophobicContact CD1-CB 4.01Å; H519-D627 IonicContact CD2-OD2 2.67Å; H519-D627 IonicContact CE1-OD2 3.86Å; H519-D627 PolarHBondContact CE1-OD2 3.48Å; H519-D627 IonicContact NE2-OD2 3.21Å; H519-D627 PolarHBondContact NE2-OD2 2.99Å; R623-D627 PolarHBondContact O-N 2.95Å; R623-D627 VanDerWaalsContact O-N 3.14Å; I624-D627 PolarHBondContact O-N 2.82Å; D627-V630 PolarHBondContact O-N 3.21Å; D627-T631 WeakPolarHBondContact O-CB 3.19Å; D627-T631 PolarHBondContact O-N 3.01Å; D627-T631 PolarHBondContact O-OG1 3.39Å
628V92.8Very high83.9Confident0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-59.5-47.7173.7165.20000111L510 I514 L529 C534 F555 I624 W625 M626 T631 G632L510-V628 HydrophobicContact CD1-CG2 4.36Å; L510-V628 HydrophobicContact CD2-CG1 4.49Å; I514-V628 HydrophobicContact CD1-CG2 3.65Å; I514-V628 HydrophobicContact CG1-CG2 3.82Å; L529-V628 HydrophobicContact CD2-CG2 4.11Å; C534-V628 HydrophobicContact CB-CG1 3.69Å; C534-V628 HydrophobicContact CB-CG2 4.2Å; F555-V628 HydrophobicContact CB-CG1 3.84Å; F555-V628 HydrophobicContact CD1-CG1 3.67Å; F555-V628 HydrophobicContact CD2-CG1 3.58Å; F555-V628 HydrophobicContact CE1-CG1 4.07Å; F555-V628 HydrophobicContact CE2-CG1 3.94Å; F555-V628 WeakPolarHBondContact CE2-O 3.36Å; F555-V628 HydrophobicContact CG-CG1 3.42Å; F555-V628 VanDerWaalsContact CG-CG1 3.42Å; F555-V628 HydrophobicContact CZ-CG1 4.18Å; F555-V628 WeakPolarHBondContact CZ-O 3.31Å; I624-V628 HydrophobicContact CG2-CG2 4.14Å; I624-V628 WeakPolarHBondContact O-CB 3.38Å; I624-V628 WeakPolarHBondContact O-CG2 3.33Å; I624-V628 PolarHBondContact O-N 3.23Å; W625-V628 PolarHBondContact O-N 3.47Å; M626-V628 PolarHBondContact O-N 2.83Å; V628-T631 WeakPolarHBondContact O-CB 3.31Å; V628-T631 PolarHBondContact O-N 3.32Å; V628-G632 PolarHBondContact O-N 2.89Å
629I93.3Very high81.7Confident0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-68.9-42.3-177.3-63.2166.1000110.2L562 I582 V585 F603 V605 W625 M626 T631 G632 A633L562-I629 HydrophobicContact CD2-CD1 3.73Å; L562-I629 HydrophobicContact CD2-CG1 3.99Å; L562-I629 HydrophobicContact CD2-CG2 4.49Å; I582-I629 HydrophobicContact CD1-CG2 3.71Å; V585-I629 HydrophobicContact CG2-CB 4.27Å; V585-I629 HydrophobicContact CG2-CG2 3.64Å; F603-I629 HydrophobicContact CE2-CD1 4Å; F603-I629 HydrophobicContact CZ-CD1 4.33Å; V605-I629 HydrophobicContact CG1-CG2 4.33Å; V605-I629 HydrophobicContact CG2-CD1 4.07Å; V605-I629 HydrophobicContact CG2-CG2 4.42Å; W625-I629 HydrophobicContact CE3-CD1 4.16Å; W625-I629 HydrophobicContact CE3-CG1 4.3Å; W625-I629 WeakPolarHBondContact O-CB 3.34Å; W625-I629 WeakPolarHBondContact O-CD1 3.27Å; W625-I629 WeakPolarHBondContact O-CG1 3.38Å; W625-I629 PolarHBondContact O-N 3.47Å; M626-I629 PolarHBondContact O-N 2.84Å; I629-T631 VanDerWaalsContact C-N 3.32Å; I629-T631 PolarHBondContact O-N 3.44Å; I629-G632 PolarHBondContact O-N 2.91Å; I629-A633 WeakPolarHBondContact O-CB 3.17Å; I629-A633 PolarHBondContact O-N 3.35Å
630V89.3Confident79.4Confident19 Ų1941.4 Ų41.412%0.11519%0.194CC..Hα-helixtrans-58.9-43.1174.3168.20000111.4Y500 V585 M626 D627 G632 A633Y500-V630 HydrophobicContact CD1-CG1 3.92Å; V585-V630 HydrophobicContact CB-CG2 3.7Å; V585-V630 HydrophobicContact CG1-CG2 4.29Å; V585-V630 HydrophobicContact CG2-CG2 4.03Å; M626-V630 WeakPolarHBondContact O-CB 3.27Å; M626-V630 VanDerWaalsContact O-CG2 3.23Å; M626-V630 WeakPolarHBondContact O-CG2 3.38Å; M626-V630 PolarHBondContact O-N 3.49Å; D627-V630 PolarHBondContact O-N 3.21Å; V630-G632 PolarHBondContact O-N 3.41Å; V630-A633 PolarHBondContact O-N 3.47Å
631T87.1Confident76.8Confident6 Ų650 Ų504%0.03724%0.241CC..Hα-helixtrans-56.9-37.5177.8-62.20000112I503 F508 L510 H513 D627 V628 I629I503-T631 PolarHBondContact N-O 3.25Å; F508-T631 HydrophobicContact CE1-CG2 3.66Å; F508-T631 HydrophobicContact CE2-CG2 4.36Å; F508-T631 HydrophobicContact CZ-CG2 3.37Å; L510-T631 HydrophobicContact CD1-CG2 4.29Å; H513-T631 PolarHBondContact NE2-OG1 2.82Å; D627-T631 WeakPolarHBondContact O-CB 3.19Å; D627-T631 PolarHBondContact O-N 3.01Å; D627-T631 PolarHBondContact O-OG1 3.39Å; V628-T631 WeakPolarHBondContact O-CB 3.31Å; V628-T631 PolarHBondContact O-N 3.32Å; I629-T631 VanDerWaalsContact C-N 3.32Å; I629-T631 PolarHBondContact O-N 3.44Å
632G85.8Confident75.9Confident9 Ų952.6 Ų52.69%0.09325%0.254CS..Hα-helixtrans-87.5-27.5178.700000114.7F579 V628 I629 V630F579-G632 WeakPolarHBondContact CB-O 3.46Å; F579-G632 WeakPolarHBondContact CD2-O 3.04Å; F579-G632 VanDerWaalsContact CG-O 3.22Å; F579-G632 WeakPolarHBondContact CG-O 3.48Å; V628-G632 PolarHBondContact O-N 2.89Å; I629-G632 PolarHBondContact O-N 2.91Å; V630-G632 PolarHBondContact O-N 3.41Å
633A84.6Confident74.9Confident12 Ų1254.8 Ų54.810%0.09926%0.264CS..  trans-58.1141.4-175.300000111.3P502 I582 I629 V630P502-A633 WeakPolarHBondContact CB-O 3.39Å; P502-A633 WeakPolarHBondContact CG-O 3.12Å; I582-A633 HydrophobicContact CB-CB 3.86Å; I582-A633 HydrophobicContact CG2-CB 3.68Å; I629-A633 WeakPolarHBondContact O-CB 3.17Å; I629-A633 PolarHBondContact O-N 3.35Å; V630-A633 PolarHBondContact O-N 3.47Å
634E73Confident73.9Confident22 Ų2251.4 Ų51.410%0.10326%0.255CS..  trans-129.1-3.5179.2-70.6-168.2-17800114.5P502 R504 R560 F579 Y636 T637P502-E634 HydrophobicContact CB-CG 4.02Å; P502-E634 HydrophobicContact CG-CG 4.45Å; R504-E634 IonicContact NE-OE1 3.45Å; R504-E634 IonicContact NH2-OE2 3.44Å; R560-E634 IonicContact CZ-OE1 3.97Å; R560-E634 IonicContact CZ-OE2 3.46Å; R560-E634 IonicContact NH1-OE1 3.57Å; R560-E634 PolarHBondContact NH1-OE1 2.81Å; R560-E634 IonicContact NH1-OE2 2.89Å; R560-E634 IonicContact NH2-OE1 3.9Å; R560-E634 PolarHBondContact NH2-OE1 3.04Å; R560-E634 IonicContact NH2-OE2 2.74Å; R560-E634 PolarHBondContact NH2-OE2 3.02Å; F579-E634 PolarHBondContact O-N 3.45Å; E634-Y636 PolarHBondContact O-N 3.46Å; E634-T637 PolarHBondContact O-N 2.83Å; E634-T637 PolarHBondContact O-OG1 2.79Å
635G58.6Low72.7Confident6 Ų654.4 Ų54.46%0.06227%0.27CS..G310 helixtrans-64.9-21.5-179.500000114.1I582 T637 Q638I582-G635 WeakPolarHBondContact O-CA 3.19Å; I582-G635 PolarHBondContact O-N 3.22Å; G635-T637 PolarHBondContact O-N 3.19Å; G635-T637 VanDerWaalsContact O-N 3.08Å; G635-Q638 PolarHBondContact O-N 3.43Å
636Y53.7Low71.3Confident132 Ų13257.8 Ų57.852%0.51829%0.286SS..G310 helixtrans-64.4-12.1176.9-160.1-96.9000113.7E634 Q638E634-Y636 PolarHBondContact O-N 3.46Å; Y636-Q638 VanDerWaalsContact C-N 3.32Å; Y636-Q638 PolarHBondContact O-N 2.67Å
637T54.5Low69.8Low38 Ų3860.1 Ų60.123%0.23330%0.298CS..G310 helixtrans-76.9-11.7-178.162.60000114.9P502 E634 G635 F639 M640P502-T637 HydrophobicContact CG-CG2 4.28Å; E634-T637 PolarHBondContact O-N 2.83Å; E634-T637 PolarHBondContact O-OG1 2.79Å; G635-T637 PolarHBondContact O-N 3.19Å; G635-T637 VanDerWaalsContact O-N 3.08Å; T637-F639 PolarHBondContact O-N 3.09Å; T637-M640 PolarHBondContact O-N 3.39Å
638Q52.4Low68.3Low134 Ų13463.3 Ų63.363%0.62631%0.313SS*.G310 helixtrans-66.4-15.8176.6-65.8-17722.900113.1H608 G635 Y636H608-Q638 PolarHBondContact NE2-NE2 3.45Å; G635-Q638 PolarHBondContact O-N 3.43Å; Y636-Q638 VanDerWaalsContact C-N 3.32Å; Y636-Q638 PolarHBondContact O-N 2.67Å
639F48Very low66.4Low176 Ų17668.2 Ų68.277%0.77234%0.337SS*.G310 helixtrans-95-2.1176.3-64.2-80.2000114.2T637T637-F639 PolarHBondContact O-N 3.09Å
640M43.5Very low64.1Low115 Ų11573.8 Ų73.857%0.56737%0.365SS*.  trans-109.55.5-179.3-77.4-153.2-77.500114.1L501 T637L501-M640 HydrophobicContact CD2-CE 3.72Å; T637-M640 PolarHBondContact O-N 3.39Å
641N39.2Very low61.8Low217 Ų21778.8 Ų78.8100%1.1639%0.388SS*.  trans-105.70173-80.9-5.6000111.4

Retrieved 641 of 641 residues in 1448.1 ms (Link to these results)

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