A0A3Q0KG83_SCHMA Loading...

Charged multivesicular body protein 1a

AlphaFold DB , UniProt , Accession A0A3Q0KG83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M46.8Very low75Confident209 Ų209102.2 Ų102.2100%1.0350%0.5SS*.  0-13.80-74.2-70.1-157.700115
2F55.4Low76.2Confident147 Ų14797.8 Ų97.865%0.64549%0.487SS*.  trans-86-29.4-173.8-67.1-78.5000116.6R5 T6F2-R5 PolarHBondContact O-N 3.08Å; F2-T6 PolarHBondContact O-N 3.32Å; F2-T6 PolarHBondContact O-OG1 2.86Å
3G57.9Low77.4Confident38 Ų3890.8 Ų90.839%0.39245%0.452SS..Hα-helixtrans-57.5-56.2179.300000112.1R5 T6 D7G3-R5 PolarHBondContact O-N 3.27Å; G3-T6 PolarHBondContact O-N 3.14Å; G3-D7 VanDerWaalsContact O-CG 3.26Å; G3-D7 PolarHBondContact O-N 2.96Å; G3-D7 VanDerWaalsContact O-N 3.08Å
4N73.5Confident78.5Confident105 Ų10590.7 Ų90.756%0.56145%0.453SS*.Hα-helixtrans-57.7-24.6-179.9-161.54.2000114.3K8N4-K8 WeakPolarHBondContact O-CB 3.43Å; N4-K8 WeakPolarHBondContact O-CD 3.4Å; N4-K8 WeakPolarHBondContact O-CG 3.38Å; N4-K8 PolarHBondContact O-N 3.02Å; N4-K8 WeakPolarHBondContact OD1-CE 3.25Å
5R74.3Confident79.4Confident176 Ų17693.5 Ų93.566%0.66446%0.464SS*.Hα-helixtrans-78.7-38174.7-71.2-173-179.1-175.90.1112.5F2 G3 L9F2-R5 PolarHBondContact O-N 3.08Å; G3-R5 PolarHBondContact O-N 3.27Å; R5-L9 WeakPolarHBondContact O-CG 3.39Å; R5-L9 PolarHBondContact O-N 3.46Å; R5-L9 VanDerWaalsContact O-N 3.12Å
6T77Confident80.3Confident8 Ų889.6 Ų89.65%0.04945%0.445CS..Hα-helixtrans-69.6-43.5179.7-50.40000110.3F2 G3 K8 L9 Q10 L88 K95F2-T6 PolarHBondContact O-N 3.32Å; F2-T6 PolarHBondContact O-OG1 2.86Å; G3-T6 PolarHBondContact O-N 3.14Å; T6-K8 VanDerWaalsContact C-N 3.32Å; T6-K8 PolarHBondContact O-N 3.44Å; T6-L9 PolarHBondContact O-N 3.24Å; T6-L9 VanDerWaalsContact O-N 3.09Å; T6-Q10 WeakPolarHBondContact O-CG 3.49Å; T6-Q10 PolarHBondContact O-N 2.78Å; T6-L88 HydrophobicContact CG2-CD2 3.9Å; T6-K95 WeakPolarHBondContact OG1-CE 3.41Å; T6-K95 PolarHBondContact OG1-NZ 3.18Å
7D84Confident81.1Confident81 Ų8191.3 Ų91.343%0.43345%0.445SS..Hα-helixtrans-59.5-46.1178.3-54.2-25.2000110.1G3 L9 Q10 D11G3-D7 VanDerWaalsContact O-CG 3.26Å; G3-D7 PolarHBondContact O-N 2.96Å; G3-D7 VanDerWaalsContact O-N 3.08Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.34Å; D7-Q10 WeakPolarHBondContact O-CB 3.42Å; D7-Q10 PolarHBondContact O-N 3.29Å; D7-Q10 VanDerWaalsContact O-N 3.14Å; D7-D11 PolarHBondContact O-N 3.33Å
8K87.8Confident81.9Confident124 Ų12492.1 Ų92.154%0.53945%0.451SS..Hα-helixtrans-59.4-37.5174-75.3177.5-177.4-168.90114.1N4 T6 S12N4-K8 WeakPolarHBondContact O-CB 3.43Å; N4-K8 WeakPolarHBondContact O-CD 3.4Å; N4-K8 WeakPolarHBondContact O-CG 3.38Å; N4-K8 PolarHBondContact O-N 3.02Å; N4-K8 WeakPolarHBondContact OD1-CE 3.25Å; T6-K8 VanDerWaalsContact C-N 3.32Å; T6-K8 PolarHBondContact O-N 3.44Å; K8-S12 VanDerWaalsContact O-CB 3.31Å; K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 2.89Å; K8-S12 PolarHBondContact O-OG 2.97Å
9L87.2Confident82.5Confident53 Ų5388.7 Ų88.728%0.27744%0.439SS..Hα-helixtrans-70.5-37.6176.7-77.7174.3000111.5R5 T6 D7 S12 L13 V84 L88R5-L9 WeakPolarHBondContact O-CG 3.39Å; R5-L9 PolarHBondContact O-N 3.46Å; R5-L9 VanDerWaalsContact O-N 3.12Å; T6-L9 PolarHBondContact O-N 3.24Å; T6-L9 VanDerWaalsContact O-N 3.09Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.34Å; L9-S12 PolarHBondContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 3.3Å; L9-V84 HydrophobicContact CD2-CG1 4.46Å; L9-L88 HydrophobicContact CB-CD2 3.44Å; L9-L88 VanDerWaalsContact CB-CD2 3.44Å; L9-L88 HydrophobicContact CB-CG 4.02Å; L9-L88 HydrophobicContact CD1-CD2 4.26Å
10Q90.2Very high83Confident98 Ų9884.5 Ų84.546%0.45842%0.419SS..Hα-helixtrans-64.9-45.3174-69.5179.1-7.200111.1T6 D7 S12 L13 I14 L88T6-Q10 WeakPolarHBondContact O-CG 3.49Å; T6-Q10 PolarHBondContact O-N 2.78Å; D7-Q10 WeakPolarHBondContact O-CB 3.42Å; D7-Q10 PolarHBondContact O-N 3.29Å; D7-Q10 VanDerWaalsContact O-N 3.14Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 3.15Å; Q10-L13 WeakPolarHBondContact O-CB 3.39Å; Q10-L13 PolarHBondContact O-N 3.03Å; Q10-I14 WeakPolarHBondContact O-CG1 3.39Å; Q10-I14 PolarHBondContact O-N 2.77Å; Q10-L88 HydrophobicContact CG-CD1 3.97Å; Q10-L88 HydrophobicContact CG-CD2 3.74Å
11D91.3Very high83.6Confident85 Ų8586.9 Ų86.946%0.45543%0.427SS..Hα-helixtrans-59.7-44.6174.5-69.9-23.5000111.4D7 L13 I14 Q15D7-D11 PolarHBondContact O-N 3.33Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.44Å; D11-I14 PolarHBondContact O-N 3.35Å; D11-Q15 WeakPolarHBondContact O-CG 3.09Å; D11-Q15 PolarHBondContact O-N 3.07Å
12S89.4Confident86Confident49 Ų4981.8 Ų81.834%0.34340%0.4SS..Hα-helixtrans-61.3-40176.8-60.30000111.6K8 L9 Q10 Q15 L16K8-S12 VanDerWaalsContact O-CB 3.31Å; K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 2.89Å; K8-S12 PolarHBondContact O-OG 2.97Å; L9-S12 PolarHBondContact O-N 3.08Å; Q10-S12 VanDerWaalsContact C-N 3.33Å; Q10-S12 PolarHBondContact O-N 3.15Å; S12-Q15 PolarHBondContact O-N 3.35Å; S12-L16 WeakPolarHBondContact O-CB 3.37Å; S12-L16 VanDerWaalsContact O-CG 3.22Å; S12-L16 WeakPolarHBondContact O-CG 3.49Å; S12-L16 PolarHBondContact O-N 2.96Å
13L91.3Very high87.9Confident7 Ų775.2 Ų75.24%0.03737%0.372CS..Hα-helixtrans-63.1-42.4176.2-178.266.7000111.8L9 Q10 D11 L16 R17 Q81 V84 Q85 L88L9-L13 WeakPolarHBondContact O-CB 3.5Å; L9-L13 PolarHBondContact O-N 3.3Å; Q10-L13 WeakPolarHBondContact O-CB 3.39Å; Q10-L13 PolarHBondContact O-N 3.03Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.49Å; L13-R17 WeakPolarHBondContact O-CG 3.46Å; L13-R17 PolarHBondContact O-N 3.47Å; L13-Q81 HydrophobicContact CD1-CB 3.92Å; L13-Q81 HydrophobicContact CD1-CG 4.16Å; L13-Q81 WeakPolarHBondContact CD1-O 3.35Å; L13-V84 HydrophobicContact CB-CG1 3.93Å; L13-V84 HydrophobicContact CD1-CB 4.24Å; L13-V84 HydrophobicContact CD1-CG1 4.18Å; L13-Q85 HydrophobicContact CD2-CB 4.5Å; L13-L88 HydrophobicContact CB-CD1 4.38Å; L13-L88 HydrophobicContact CD2-CD1 3.87Å
14I93Very high89.8Confident90 Ų9076.7 Ų76.746%0.46237%0.37SS..Hα-helixtrans-63.1-47.3176.1-66.7167.7000110.1Q10 D11 L16 R17 I18Q10-I14 WeakPolarHBondContact O-CG1 3.39Å; Q10-I14 PolarHBondContact O-N 2.77Å; D11-I14 PolarHBondContact O-N 3.35Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.28Å; I14-R17 PolarHBondContact O-N 3.3Å; I14-I18 HydrophobicContact CG2-CD1 3.99Å; I14-I18 WeakPolarHBondContact O-CG1 3.13Å; I14-I18 PolarHBondContact O-N 3.21Å
15Q92.4Very high90.9Very high132 Ų13279.1 Ų79.162%0.61737%0.371SS*.Hα-helixtrans-60.6-42.3177.8-70.7176.417.800111.8D11 S12 R17 I18 A19D11-Q15 WeakPolarHBondContact O-CG 3.09Å; D11-Q15 PolarHBondContact O-N 3.07Å; S12-Q15 PolarHBondContact O-N 3.35Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 3.01Å; Q15-I18 PolarHBondContact O-N 2.77Å; Q15-A19 VanDerWaalsContact O-CB 3.32Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.24Å
16L93.1Very high92Very high31 Ų3174.9 Ų74.916%0.16236%0.358CS..Hα-helixtrans-61.5-40.3175.9-77.1167.4000112.2S12 L13 I14 A19 A20 F77 V80 Q81 V84S12-L16 WeakPolarHBondContact O-CB 3.37Å; S12-L16 VanDerWaalsContact O-CG 3.22Å; S12-L16 WeakPolarHBondContact O-CG 3.49Å; S12-L16 PolarHBondContact O-N 2.96Å; L13-L16 PolarHBondContact O-N 3.49Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.28Å; L16-A19 PolarHBondContact O-N 2.87Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.38Å; L16-F77 HydrophobicContact CD2-CD1 3.8Å; L16-F77 HydrophobicContact CD2-CE1 4.25Å; L16-V80 HydrophobicContact CD1-CG1 3.82Å; L16-V80 HydrophobicContact CD2-CG1 4.29Å; L16-Q81 VanDerWaalsContact C-NE2 3.34Å; L16-Q81 HydrophobicContact CB-CG 3.61Å; L16-Q81 HydrophobicContact CD1-CG 4.46Å; L16-Q81 PolarHBondContact O-NE2 3.19Å; L16-V84 HydrophobicContact CD1-CG2 3.97Å
17R93.6Very high93Very high119 Ų11974.9 Ų74.945%0.44936%0.358SS..Hα-helixtrans-63.9-43.3175.7-76.9176.8178.7149.23.5112.4L13 I14 Q15 K21 Q81L13-R17 WeakPolarHBondContact O-CG 3.46Å; L13-R17 PolarHBondContact O-N 3.47Å; I14-R17 PolarHBondContact O-N 3.3Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 3.01Å; R17-K21 PolarHBondContact O-N 3.27Å; R17-K21 VanDerWaalsContact O-N 3.13Å; R17-Q81 VanDerWaalsContact CA-NE2 3.3Å; R17-Q81 HydrophobicContact CG-CG 4.24Å
18I95.4Very high93.7Very high106 Ų10675.4 Ų75.454%0.54436%0.358SS..Hα-helixtrans-64.2-46.3176.4-66169.1000110.1I14 Q15 K21 Q22I14-I18 HydrophobicContact CG2-CD1 3.99Å; I14-I18 WeakPolarHBondContact O-CG1 3.13Å; I14-I18 PolarHBondContact O-N 3.21Å; Q15-I18 PolarHBondContact O-N 2.77Å; I18-K21 PolarHBondContact O-N 3.4Å; I18-Q22 WeakPolarHBondContact O-CB 3.01Å; I18-Q22 PolarHBondContact O-N 3.14Å
19A93.1Very high94.2Very high27 Ų2775 Ų7522%0.22336%0.356CS..Hα-helixtrans-61-46.4178.700000111.9Q15 L16 K21 Q22 V23 F77Q15-A19 VanDerWaalsContact O-CB 3.32Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.24Å; L16-A19 PolarHBondContact O-N 2.87Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.34Å; A19-Q22 PolarHBondContact O-N 2.83Å; A19-V23 WeakPolarHBondContact O-CB 3.36Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.41Å; A19-V23 PolarHBondContact O-N 3.39Å; A19-F77 HydrophobicContact CB-CD2 4.35Å; A19-F77 HydrophobicContact CB-CE2 4.05Å; A19-F77 HydrophobicContact CB-CZ 4.39Å
20A93.6Very high94.7Very high4 Ų472.6 Ų72.63%0.03334%0.344CS..Hα-helixtrans-55.9-49175.600000111.6L16 Q22 V23 M24 F77 Q81L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.38Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 2.97Å; A20-V23 PolarHBondContact O-N 3.31Å; A20-M24 WeakPolarHBondContact O-CG 3.13Å; A20-M24 PolarHBondContact O-N 3.18Å; A20-F77 HydrophobicContact CB-CB 3.77Å; A20-F77 HydrophobicContact CB-CD2 4.41Å; A20-Q81 VanDerWaalsContact CB-NE2 3.25Å
21K95.5Very high95Very high135 Ų13569.7 Ų69.759%0.58734%0.336SS*.Hα-helixtrans-63.7-38.7178.5-170.7171-174.3170.70112.8R17 I18 A19 R25R17-K21 PolarHBondContact O-N 3.27Å; R17-K21 VanDerWaalsContact O-N 3.13Å; I18-K21 PolarHBondContact O-N 3.4Å; A19-K21 VanDerWaalsContact C-N 3.35Å; A19-K21 PolarHBondContact O-N 3.34Å; K21-R25 WeakPolarHBondContact O-CG 3.5Å; K21-R25 PolarHBondContact O-N 2.84Å; K21-R25 VanDerWaalsContact O-N 3.17Å
22Q96.5Very high95.4Very high102 Ų10272.9 Ų72.948%0.47734%0.342SS..Hα-helixtrans-66.5-43.2177.2-175.1174.16.800111.6I18 A19 A20 R25 F26I18-Q22 WeakPolarHBondContact O-CB 3.01Å; I18-Q22 PolarHBondContact O-N 3.14Å; A19-Q22 PolarHBondContact O-N 2.83Å; A20-Q22 VanDerWaalsContact C-N 3.35Å; A20-Q22 PolarHBondContact O-N 2.97Å; Q22-R25 WeakPolarHBondContact O-CB 3.29Å; Q22-R25 PolarHBondContact O-N 2.91Å; Q22-F26 HydrophobicContact CG-CD2 4.41Å; Q22-F26 HydrophobicContact CG-CE1 4.36Å; Q22-F26 HydrophobicContact CG-CE2 3.8Å; Q22-F26 HydrophobicContact CG-CZ 3.78Å; Q22-F26 WeakPolarHBondContact O-CG 3.39Å; Q22-F26 PolarHBondContact O-N 3.25Å
23V95.9Very high95.8Very high9 Ų973.5 Ų73.56%0.05534%0.34CS..Hα-helixtrans-66.5-38.6177.2171.10000111.8A19 A20 R25 F26 S27 Y70 M73 A74 F77A19-V23 WeakPolarHBondContact O-CB 3.36Å; A19-V23 VanDerWaalsContact O-CG2 3.32Å; A19-V23 WeakPolarHBondContact O-CG2 3.41Å; A19-V23 PolarHBondContact O-N 3.39Å; A20-V23 PolarHBondContact O-N 3.31Å; V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 3.21Å; V23-F26 PolarHBondContact O-N 3.28Å; V23-F26 VanDerWaalsContact O-N 3.11Å; V23-S27 PolarHBondContact O-N 2.97Å; V23-Y70 HydrophobicContact CG1-CD1 4.09Å; V23-Y70 HydrophobicContact CG1-CG 4.4Å; V23-Y70 WeakPolarHBondContact CG1-O 3.4Å; V23-M73 HydrophobicContact CB-CE 4.29Å; V23-M73 HydrophobicContact CG1-CB 4.05Å; V23-M73 HydrophobicContact CG1-CE 3.75Å; V23-M73 HydrophobicContact CG1-CG 4.29Å; V23-M73 HydrophobicContact CG2-CE 3.45Å; V23-M73 VanDerWaalsContact CG2-CE 3.45Å; V23-A74 HydrophobicContact CG1-CB 4.07Å; V23-F77 HydrophobicContact CG2-CD2 4.39Å; V23-F77 HydrophobicContact CG2-CE2 3.85Å
24M96.7Very high96.1Very high69 Ų6973.2 Ų73.234%0.3434%0.338SS..Hα-helixtrans-57-43.4171.3-75.9-61.9-72.700111.7A20 F26 S27 E28 L71 A74A20-M24 WeakPolarHBondContact O-CG 3.13Å; A20-M24 PolarHBondContact O-N 3.18Å; M24-F26 VanDerWaalsContact C-N 3.34Å; M24-F26 PolarHBondContact O-N 3.2Å; M24-S27 VanDerWaalsContact O-CB 3.31Å; M24-S27 WeakPolarHBondContact O-CB 3.49Å; M24-S27 PolarHBondContact O-N 2.93Å; M24-E28 PolarHBondContact O-N 3.42Å; M24-L71 HydrophobicContact CE-CD1 4.09Å; M24-L71 HydrophobicContact SD-CD1 3.79Å; M24-A74 HydrophobicContact CG-CB 3.58Å; M24-A74 HydrophobicContact SD-CB 3.35Å; M24-A74 WeakPolarHBondContact SD-CB 3.34Å
25R97.7Very high96.3Very high157 Ų15772.6 Ų72.659%0.59233%0.333SS*.Hα-helixtrans-63.9-37.3175.2-70.7173.8170.3-173.3-3.9112.8K21 Q22 V23 K29K21-R25 WeakPolarHBondContact O-CG 3.5Å; K21-R25 PolarHBondContact O-N 2.84Å; K21-R25 VanDerWaalsContact O-N 3.17Å; Q22-R25 WeakPolarHBondContact O-CB 3.29Å; Q22-R25 PolarHBondContact O-N 2.91Å; V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 3.21Å; R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 PolarHBondContact O-N 2.97Å
26F97.4Very high96.6Very high86 Ų8669.3 Ų69.338%0.37732%0.322SS..Hα-helixtrans-66.4-38.5174.1-64.8-25.5000112Q22 V23 M24 K29 A30 Y70Q22-F26 HydrophobicContact CG-CD2 4.41Å; Q22-F26 HydrophobicContact CG-CE1 4.36Å; Q22-F26 HydrophobicContact CG-CE2 3.8Å; Q22-F26 HydrophobicContact CG-CZ 3.78Å; Q22-F26 WeakPolarHBondContact O-CG 3.39Å; Q22-F26 PolarHBondContact O-N 3.25Å; V23-F26 PolarHBondContact O-N 3.28Å; V23-F26 VanDerWaalsContact O-N 3.11Å; M24-F26 VanDerWaalsContact C-N 3.34Å; M24-F26 PolarHBondContact O-N 3.2Å; F26-K29 PolarHBondContact O-N 3.18Å; F26-A30 WeakPolarHBondContact O-CB 3.37Å; F26-A30 PolarHBondContact O-N 2.91Å; F26-Y70 HydrophobicContact CB-CD1 4.2Å; F26-Y70 HydrophobicContact CB-CD2 3.72Å; F26-Y70 HydrophobicContact CB-CE1 4.26Å; F26-Y70 HydrophobicContact CB-CE2 3.76Å; F26-Y70 HydrophobicContact CB-CG 3.97Å; F26-Y70 HydrophobicContact CD2-CE1 4.39Å
27S97.6Very high96.8Very high9 Ų969.4 Ų69.46%0.06332%0.322CS..Hα-helixtrans-57.3-52172.5179.80000111.7V23 M24 K29 A30 A31 S67V23-S27 PolarHBondContact O-N 2.97Å; M24-S27 VanDerWaalsContact O-CB 3.31Å; M24-S27 WeakPolarHBondContact O-CB 3.49Å; M24-S27 PolarHBondContact O-N 2.93Å; S27-K29 PolarHBondContact O-N 3.4Å; S27-A30 PolarHBondContact O-N 3.28Å; S27-A31 PolarHBondContact O-N 3.47Å; S27-S67 WeakPolarHBondContact O-CB 3.4Å; S27-S67 PolarHBondContact O-OG 3.39Å; S27-S67 PolarHBondContact OG-O 3.21Å; S27-S67 PolarHBondContact OG-OG 3.22Å
28E98.1Very high97Very high91 Ų9167.6 Ų67.643%0.42532%0.317SS..Hα-helixtrans-62.4-41.5178.7-69.2174.2-16400112.4M24 A31 R32M24-E28 PolarHBondContact O-N 3.42Å; E28-A31 PolarHBondContact O-N 3.44Å; E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE2-NH2 2.72Å; E28-R32 PolarHBondContact OE2-NH2 3.4Å
29K98.2Very high97.1Very high117 Ų11767.4 Ų67.451%0.50931%0.314SS..Hα-helixtrans-61.9-47.2177.7-177.3180174.1-175.80110.9R25 F26 S27 A31 R32 E33R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 PolarHBondContact O-N 2.97Å; F26-K29 PolarHBondContact O-N 3.18Å; S27-K29 PolarHBondContact O-N 3.4Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 2.98Å; K29-R32 PolarHBondContact O-N 3.06Å; K29-E33 WeakPolarHBondContact CE-OE1 3.44Å; K29-E33 WeakPolarHBondContact O-CG 3.42Å; K29-E33 PolarHBondContact O-N 2.77Å
30A97.8Very high97.3Very high2 Ų270.2 Ų70.22%0.01732%0.321CS..Hα-helixtrans-62.9-37177.500000112F26 S27 E33 S34 E66 Y70F26-A30 WeakPolarHBondContact O-CB 3.37Å; F26-A30 PolarHBondContact O-N 2.91Å; S27-A30 PolarHBondContact O-N 3.28Å; A30-E33 PolarHBondContact O-N 2.96Å; A30-S34 PolarHBondContact O-N 3.23Å; A30-E66 HydrophobicContact CB-CB 4.33Å; A30-E66 HydrophobicContact CB-CG 4.24Å; A30-Y70 HydrophobicContact CB-CD2 4.44Å
31A98.2Very high97.5Very high36 Ų3671.8 Ų71.830%0.29833%0.329SS..Hα-helixtrans-62.5-46.6173.600000112.1S27 E28 K29 E33 S34 E35S27-A31 PolarHBondContact O-N 3.47Å; E28-A31 PolarHBondContact O-N 3.44Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 2.98Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-E33 PolarHBondContact O-N 3.45Å; A31-S34 WeakPolarHBondContact O-CB 3.41Å; A31-S34 PolarHBondContact O-N 2.67Å; A31-E35 PolarHBondContact O-N 3.26Å; A31-E35 VanDerWaalsContact O-N 3.09Å
32R98.4Very high97.6Very high152 Ų15271.8 Ų71.857%0.57433%0.329SS*.Hα-helixtrans-61.6-42.2175.4-67.5179.4-152.81249.5111.7E28 K29 S34 E35 V36E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 3.36Å; E28-R32 IonicContact OE2-NH2 2.72Å; E28-R32 PolarHBondContact OE2-NH2 3.4Å; K29-R32 PolarHBondContact O-N 3.06Å; R32-S34 VanDerWaalsContact C-N 3.32Å; R32-S34 PolarHBondContact O-N 3.43Å; R32-E35 PolarHBondContact O-N 3.16Å; R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 3.33Å
33E98Very high97.6Very high63 Ų6374 Ų7429%0.29434%0.337SS..Hα-helixtrans-62.8-38176-73.8176-177.500112K29 A30 A31 E35 V36 Q37 K63K29-E33 WeakPolarHBondContact CE-OE1 3.44Å; K29-E33 WeakPolarHBondContact O-CG 3.42Å; K29-E33 PolarHBondContact O-N 2.77Å; A30-E33 PolarHBondContact O-N 2.96Å; A31-E33 VanDerWaalsContact C-N 3.34Å; A31-E33 PolarHBondContact O-N 3.45Å; E33-E35 VanDerWaalsContact C-N 3.35Å; E33-V36 PolarHBondContact O-N 3.37Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.92Å; E33-Q37 VanDerWaalsContact O-N 3.1Å; E33-K63 HydrophobicContact CB-CD 4.13Å; E33-K63 HydrophobicContact CB-CG 4.25Å; E33-K63 WeakPolarHBondContact OE2-CD 3.26Å; E33-K63 WeakPolarHBondContact OE2-CE 3.37Å; E33-K63 IonicContact OE2-NZ 3.15Å; E33-K63 PolarHBondContact OE2-NZ 3.41Å
34S97.8Very high97.6Very high1 Ų174 Ų741%0.00734%0.338CS..Hα-helixtrans-59.5-45.2172.7-1750000111.4A30 A31 R32 V36 Q37 K38 A60A30-S34 PolarHBondContact O-N 3.23Å; A31-S34 WeakPolarHBondContact O-CB 3.41Å; A31-S34 PolarHBondContact O-N 2.67Å; R32-S34 VanDerWaalsContact C-N 3.32Å; R32-S34 PolarHBondContact O-N 3.43Å; S34-V36 PolarHBondContact O-N 2.81Å; S34-Q37 WeakPolarHBondContact O-CB 3.41Å; S34-Q37 PolarHBondContact O-N 3.44Å; S34-Q37 VanDerWaalsContact O-N 3.1Å; S34-K38 PolarHBondContact O-N 2.96Å; S34-A60 PolarHBondContact OG-O 3.25Å
35E98.1Very high97.4Very high76 Ų7675.1 Ų75.136%0.35535%0.345SS..Hα-helixtrans-65.2-38.7179.5-16555.5-142.600112.4A31 R32 E33 Q37 K38 Q39A31-E35 PolarHBondContact O-N 3.26Å; A31-E35 VanDerWaalsContact O-N 3.09Å; R32-E35 PolarHBondContact O-N 3.16Å; E33-E35 VanDerWaalsContact C-N 3.35Å; E35-Q37 VanDerWaalsContact C-N 3.28Å; E35-Q37 PolarHBondContact O-N 3.49Å; E35-K38 WeakPolarHBondContact O-CB 3.48Å; E35-K38 PolarHBondContact O-N 3.37Å; E35-K38 VanDerWaalsContact O-N 3.16Å; E35-K38 WeakPolarHBondContact OE2-CD 3.05Å; E35-K38 IonicContact OE2-NZ 3.33Å; E35-K38 PolarHBondContact OE2-NZ 3.45Å; E35-Q39 WeakPolarHBondContact O-CG 3.22Å; E35-Q39 PolarHBondContact O-N 3.07Å
36V98.2Very high97.3Very high64 Ų6473.4 Ų73.439%0.38835%0.352SS..Hα-helixtrans-59.7-39.9172.5171.30000111.2R32 E33 S34 Q39 K40R32-V36 WeakPolarHBondContact O-CG2 3.45Å; R32-V36 PolarHBondContact O-N 3.33Å; E33-V36 PolarHBondContact O-N 3.37Å; S34-V36 PolarHBondContact O-N 2.81Å; V36-Q39 PolarHBondContact O-N 2.87Å; V36-K40 WeakPolarHBondContact O-CG 3.13Å; V36-K40 PolarHBondContact O-N 3.38Å; V36-K40 VanDerWaalsContact O-N 3.07Å
37Q97.7Very high97.2Very high33 Ų3374 Ų7415%0.15437%0.367CS..Hα-helixtrans-67.7-38.8175.9-64.1-63.7-3500111.7E33 S34 E35 Q39 K40 L41 Y56 N59 A60E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.92Å; E33-Q37 VanDerWaalsContact O-N 3.1Å; S34-Q37 WeakPolarHBondContact O-CB 3.41Å; S34-Q37 PolarHBondContact O-N 3.44Å; S34-Q37 VanDerWaalsContact O-N 3.1Å; E35-Q37 VanDerWaalsContact C-N 3.28Å; E35-Q37 PolarHBondContact O-N 3.49Å; Q37-Q39 VanDerWaalsContact C-N 3.32Å; Q37-Q39 PolarHBondContact O-N 3.45Å; Q37-K40 PolarHBondContact O-N 2.76Å; Q37-L41 WeakPolarHBondContact O-CB 3.42Å; Q37-L41 PolarHBondContact O-N 3.16Å; Q37-Y56 VanDerWaalsContact OE1-CD1 3.26Å; Q37-N59 HydrophobicContact CB-CB 4.43Å; Q37-N59 HydrophobicContact CG-CB 3.91Å; Q37-A60 HydrophobicContact CB-CB 3.71Å
38K97.7Very high96.9Very high80 Ų8076.2 Ų76.235%0.34839%0.391SS..Hα-helixtrans-62.3-37.9173.2-67.4177.8-166.21640112.4S34 E35 L41 K42 A60S34-K38 PolarHBondContact O-N 2.96Å; E35-K38 WeakPolarHBondContact O-CB 3.48Å; E35-K38 PolarHBondContact O-N 3.37Å; E35-K38 VanDerWaalsContact O-N 3.16Å; E35-K38 WeakPolarHBondContact OE2-CD 3.05Å; E35-K38 IonicContact OE2-NZ 3.33Å; E35-K38 PolarHBondContact OE2-NZ 3.45Å; K38-L41 WeakPolarHBondContact O-CB 3.35Å; K38-L41 PolarHBondContact O-N 3.1Å; K38-K42 WeakPolarHBondContact O-CG 3.33Å; K38-K42 PolarHBondContact O-N 3.1Å; K38-A60 HydrophobicContact CG-CB 3.93Å
39Q97.7Very high96.7Very high103 Ų10375.4 Ų75.448%0.48139%0.39SS..Hα-helixtrans-65-40.3174.1-69.3175.55.200112E35 V36 Q37 K42 K43E35-Q39 WeakPolarHBondContact O-CG 3.22Å; E35-Q39 PolarHBondContact O-N 3.07Å; V36-Q39 PolarHBondContact O-N 2.87Å; Q37-Q39 VanDerWaalsContact C-N 3.32Å; Q37-Q39 PolarHBondContact O-N 3.45Å; Q39-K42 PolarHBondContact O-N 2.93Å; Q39-K43 WeakPolarHBondContact O-CG 3.41Å; Q39-K43 PolarHBondContact O-N 2.92Å
40K97.2Very high96.4Very high86 Ų8675 Ų7537%0.37439%0.392SS..Hα-helixtrans-65.7-40.1174.1-70176.4-179.3-179.50112.1V36 Q37 K43 A44 Y56V36-K40 WeakPolarHBondContact O-CG 3.13Å; V36-K40 PolarHBondContact O-N 3.38Å; V36-K40 VanDerWaalsContact O-N 3.07Å; Q37-K40 PolarHBondContact O-N 2.76Å; K40-K43 PolarHBondContact O-N 3.37Å; K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 2.95Å; K40-Y56 HydrophobicContact CB-CD1 3.89Å; K40-Y56 HydrophobicContact CB-CD2 3.81Å; K40-Y56 HydrophobicContact CB-CE1 4.03Å; K40-Y56 HydrophobicContact CB-CE2 3.92Å; K40-Y56 HydrophobicContact CB-CG 3.8Å; K40-Y56 HydrophobicContact CD-CD1 4.17Å; K40-Y56 HydrophobicContact CD-CE1 3.82Å
41L97.3Very high96.3Very high37 Ų3780.8 Ų80.819%0.19442%0.418CS..Hα-helixtrans-56.2-50.7172.1168.663.3000111Q37 K38 K43 A44 L45 G53 A57Q37-L41 WeakPolarHBondContact O-CB 3.42Å; Q37-L41 PolarHBondContact O-N 3.16Å; K38-L41 WeakPolarHBondContact O-CB 3.35Å; K38-L41 PolarHBondContact O-N 3.1Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.99Å; L41-A44 PolarHBondContact O-N 3.43Å; L41-A44 VanDerWaalsContact O-N 3.14Å; L41-L45 HydrophobicContact CD1-CD1 3.88Å; L41-L45 HydrophobicContact CD1-CD2 4.38Å; L41-L45 HydrophobicContact CD1-CG 3.91Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 WeakPolarHBondContact O-CG 3.22Å; L41-L45 PolarHBondContact O-N 3.22Å; L41-G53 VanDerWaalsContact CD1-O 3.25Å; L41-G53 WeakPolarHBondContact CD1-O 3.24Å; L41-A57 HydrophobicContact CD1-CB 4.24Å; L41-A57 HydrophobicContact CD2-CB 4Å
42K96.5Very high96.1Very high134 Ų13481.2 Ų81.258%0.58342%0.419SS*.Hα-helixtrans-53.9-46.4177.2-72.7174.7-178.1178.80111.5K38 Q39 L45 T46K38-K42 WeakPolarHBondContact O-CG 3.33Å; K38-K42 PolarHBondContact O-N 3.1Å; Q39-K42 PolarHBondContact O-N 2.93Å; K42-L45 PolarHBondContact O-N 3.24Å; K42-T46 WeakPolarHBondContact O-CG2 3.31Å; K42-T46 PolarHBondContact O-N 2.9Å; K42-T46 VanDerWaalsContact O-N 3.07Å; K42-T46 PolarHBondContact O-OG1 2.96Å
43K96.6Very high96Very high148 Ų14874 Ų7464%0.64339%0.392SS*.Hα-helixtrans-63.6-43.4177.5-68.4179.8-178.9-175.40112.8Q39 K40 L41 L45 T46 S47Q39-K43 WeakPolarHBondContact O-CG 3.41Å; Q39-K43 PolarHBondContact O-N 2.92Å; K40-K43 PolarHBondContact O-N 3.37Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.99Å; K43-L45 VanDerWaalsContact C-N 3.33Å; K43-L45 PolarHBondContact O-N 3.4Å; K43-T46 WeakPolarHBondContact CA-OG1 3.47Å; K43-T46 PolarHBondContact O-N 3.39Å; K43-T46 PolarHBondContact O-OG1 2.91Å; K43-S47 PolarHBondContact O-N 2.79Å; K43-S47 VanDerWaalsContact O-N 3.08Å; K43-S47 PolarHBondContact O-OG 2.88Å
44A96Very high96Very high9 Ų977.8 Ų77.87%0.07440%0.404CS..Hα-helixtrans-62.9-40.6178.900000112.1K40 L41 S47 G48 N49 C52 Y56K40-A44 WeakPolarHBondContact O-CB 3.45Å; K40-A44 PolarHBondContact O-N 2.95Å; L41-A44 PolarHBondContact O-N 3.43Å; L41-A44 VanDerWaalsContact O-N 3.14Å; A44-S47 PolarHBondContact O-N 2.77Å; A44-G48 PolarHBondContact O-N 3.41Å; A44-N49 PolarHBondContact O-N 2.84Å; A44-C52 HydrophobicContact CB-CB 4.35Å; A44-Y56 HydrophobicContact CB-CD2 3.94Å; A44-Y56 HydrophobicContact CB-CE2 4.13Å
45L93.8Very high95.9Very high93 Ų9381.7 Ų81.749%0.48742%0.424SS..Hα-helixtrans-65.6-42.1175.9-67.5178.7000112.1L41 K42 K43 S47 G48 I50L41-L45 HydrophobicContact CD1-CD1 3.88Å; L41-L45 HydrophobicContact CD1-CD2 4.38Å; L41-L45 HydrophobicContact CD1-CG 3.91Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 WeakPolarHBondContact O-CG 3.22Å; L41-L45 PolarHBondContact O-N 3.22Å; K42-L45 PolarHBondContact O-N 3.24Å; K43-L45 VanDerWaalsContact C-N 3.33Å; K43-L45 PolarHBondContact O-N 3.4Å; L45-S47 PolarHBondContact O-N 3.41Å; L45-G48 PolarHBondContact O-N 2.66Å; L45-G48 VanDerWaalsContact O-N 3.08Å; L45-I50 HydrophobicContact CD2-CD1 4.02Å
46T94.8Very high95.9Very high121 Ų12181.5 Ų81.574%0.74242%0.42SS*.Hα-helixtrans-65.8-27.2176.152.60000113.2K42 K43 G48K42-T46 WeakPolarHBondContact O-CG2 3.31Å; K42-T46 PolarHBondContact O-N 2.9Å; K42-T46 VanDerWaalsContact O-N 3.07Å; K42-T46 PolarHBondContact O-OG1 2.96Å; K43-T46 WeakPolarHBondContact CA-OG1 3.47Å; K43-T46 PolarHBondContact O-N 3.39Å; K43-T46 PolarHBondContact O-OG1 2.91Å; T46-G48 VanDerWaalsContact C-N 3.31Å
47S94.6Very high95.9Very high100 Ų10079.9 Ų79.970%0.69941%0.413SS*.THydrogen-bonded Turntrans-85.30.5174.4-62.10000113.8K43 A44 L45 N49K43-S47 PolarHBondContact O-N 2.79Å; K43-S47 VanDerWaalsContact O-N 3.08Å; K43-S47 PolarHBondContact O-OG 2.88Å; A44-S47 PolarHBondContact O-N 2.77Å; L45-S47 PolarHBondContact O-N 3.41Å; S47-N49 PolarHBondContact O-N 3.27Å
48G92.8Very high95.9Very high55 Ų5582.4 Ų82.457%0.56743%0.425SS*.THydrogen-bonded Turntrans71.89.6-176.800000114.9A44 L45 T46 I50A44-G48 PolarHBondContact O-N 3.41Å; L45-G48 PolarHBondContact O-N 2.66Å; L45-G48 VanDerWaalsContact O-N 3.08Å; T46-G48 VanDerWaalsContact C-N 3.31Å; G48-I50 PolarHBondContact O-N 3.26Å
49N93.9Very high95.9Very high74 Ų7480.1 Ų80.140%0.39642%0.417SS..  trans-89.482.6-180-171.6-20000110.6A44 S47 E51 C52 G53A44-N49 PolarHBondContact O-N 2.84Å; S47-N49 PolarHBondContact O-N 3.27Å; N49-E51 PolarHBondContact O-N 3.16Å; N49-C52 HydrophobicContact CB-CB 4.45Å; N49-C52 PolarHBondContact ND2-SG 3.5Å; N49-C52 WeakPolarHBondContact OD1-CB 3.44Å; N49-C52 PolarHBondContact OD1-N 3.09Å; N49-G53 PolarHBondContact O-N 2.99Å
50I92.4Very high95.9Very high107 Ų10775.4 Ų75.455%0.54940%0.396SS..Hα-helixtrans-64.7-38.4-176.5-55.3-55.5000112L45 G48 G53 R54L45-I50 HydrophobicContact CD2-CD1 4.02Å; G48-I50 PolarHBondContact O-N 3.26Å; I50-G53 CarbonylContact O-C 3.58Å; I50-G53 WeakPolarHBondContact O-CA 3.4Å; I50-G53 PolarHBondContact O-N 2.98Å; I50-G53 VanDerWaalsContact O-N 3.14Å; I50-R54 PolarHBondContact O-N 3.41Å
51E94.2Very high95.9Very high124 Ų12476.1 Ų76.158%0.57940%0.402SS*.Hα-helixtrans-63.4-47.5-179.9-68.3-54.9130.100112.2N49 G53 R54 I55N49-E51 PolarHBondContact O-N 3.16Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.87Å; E51-R54 PolarHBondContact O-N 3.42Å; E51-I55 PolarHBondContact O-N 3Å
52C94.7Very high95.9Very high45 Ų4581 Ų8130%0.30442%0.418SS..Hα-helixtrans-65.1-35.2173-70.10000111.8A44 N49 I55 Y56A44-C52 HydrophobicContact CB-CB 4.35Å; N49-C52 HydrophobicContact CB-CB 4.45Å; N49-C52 PolarHBondContact ND2-SG 3.5Å; N49-C52 WeakPolarHBondContact OD1-CB 3.44Å; N49-C52 PolarHBondContact OD1-N 3.09Å; C52-I55 PolarHBondContact O-N 3.32Å; C52-Y56 HydrophobicContact CB-CE2 4.17Å; C52-Y56 WeakPolarHBondContact O-CD2 3.23Å; C52-Y56 PolarHBondContact O-N 3.15Å
53G96.7Very high96Very high2 Ų277 Ų772%0.02140%0.401CS..Hα-helixtrans-55.2-50172.500000111.7L41 N49 I50 E51 I55 Y56 A57L41-G53 VanDerWaalsContact CD1-O 3.25Å; L41-G53 WeakPolarHBondContact CD1-O 3.24Å; N49-G53 PolarHBondContact O-N 2.99Å; I50-G53 CarbonylContact O-C 3.58Å; I50-G53 WeakPolarHBondContact O-CA 3.4Å; I50-G53 PolarHBondContact O-N 2.98Å; I50-G53 VanDerWaalsContact O-N 3.14Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.87Å; G53-I55 VanDerWaalsContact C-N 3.33Å; G53-I55 PolarHBondContact O-N 3.31Å; G53-Y56 PolarHBondContact O-N 3.33Å; G53-Y56 VanDerWaalsContact O-N 3.15Å; G53-A57 PolarHBondContact O-N 3.45Å
54R96.5Very high96.1Very high141 Ų14173.6 Ų73.653%0.53239%0.387SS..Hα-helixtrans-56.2-46.2178.5-167.6175.772.1100.1-14.4112.1I50 E51 Y56 A57 E58I50-R54 PolarHBondContact O-N 3.41Å; E51-R54 PolarHBondContact O-N 3.42Å; R54-Y56 PolarHBondContact O-N 3Å; R54-A57 PolarHBondContact O-N 3.42Å; R54-E58 IonicContact CZ-OE1 3.71Å; R54-E58 IonicContact NH1-OE1 3.33Å; R54-E58 PolarHBondContact NH1-OE1 3.05Å; R54-E58 WeakPolarHBondContact O-CG 3.36Å; R54-E58 PolarHBondContact O-N 3.41Å
55I97.4Very high96.2Very high84 Ų8480.3 Ų80.343%0.43142%0.415SS..Hα-helixtrans-61.8-44.1177.5-63.7168.8000111.4E51 C52 G53 E58 N59E51-I55 PolarHBondContact O-N 3Å; C52-I55 PolarHBondContact O-N 3.32Å; G53-I55 VanDerWaalsContact C-N 3.33Å; G53-I55 PolarHBondContact O-N 3.31Å; I55-E58 PolarHBondContact O-N 3.35Å; I55-N59 WeakPolarHBondContact O-CB 3.3Å; I55-N59 PolarHBondContact O-N 3.1Å; I55-N59 PolarHBondContact O-ND2 2.97Å
56Y97.1Very high96.3Very high72 Ų7278.7 Ų78.728%0.28241%0.405SS..Hα-helixtrans-66.7-36.6177.8-66.8-43.5000112.7Q37 K40 A44 C52 G53 R54 N59 A60Q37-Y56 VanDerWaalsContact OE1-CD1 3.26Å; K40-Y56 HydrophobicContact CB-CD1 3.89Å; K40-Y56 HydrophobicContact CB-CD2 3.81Å; K40-Y56 HydrophobicContact CB-CE1 4.03Å; K40-Y56 HydrophobicContact CB-CE2 3.92Å; K40-Y56 HydrophobicContact CB-CG 3.8Å; K40-Y56 HydrophobicContact CD-CD1 4.17Å; K40-Y56 HydrophobicContact CD-CE1 3.82Å; A44-Y56 HydrophobicContact CB-CD2 3.94Å; A44-Y56 HydrophobicContact CB-CE2 4.13Å; C52-Y56 HydrophobicContact CB-CE2 4.17Å; C52-Y56 WeakPolarHBondContact O-CD2 3.23Å; C52-Y56 PolarHBondContact O-N 3.15Å; G53-Y56 PolarHBondContact O-N 3.33Å; G53-Y56 VanDerWaalsContact O-N 3.15Å; R54-Y56 PolarHBondContact O-N 3Å; Y56-N59 PolarHBondContact O-N 3.32Å; Y56-A60 WeakPolarHBondContact O-CB 3.42Å; Y56-A60 PolarHBondContact O-N 3.31Å
57A97.5Very high96.4Very high29 Ų2973.3 Ų73.324%0.2437%0.372CS..Hα-helixtrans-63.3-48.3173.900000111.6L41 G53 R54 N59 A60 I61L41-A57 HydrophobicContact CD1-CB 4.24Å; L41-A57 HydrophobicContact CD2-CB 4Å; G53-A57 PolarHBondContact O-N 3.45Å; R54-A57 PolarHBondContact O-N 3.42Å; A57-N59 VanDerWaalsContact C-N 3.32Å; A57-N59 PolarHBondContact O-N 3.03Å; A57-A60 WeakPolarHBondContact O-CB 3.29Å; A57-A60 PolarHBondContact O-N 3.18Å; A57-I61 WeakPolarHBondContact O-CG1 2.97Å; A57-I61 PolarHBondContact O-N 2.98Å
58E97.9Very high96.4Very high87 Ų8771.5 Ų71.541%0.40736%0.357SS..Hα-helixtrans-58.2-44.2176.2-73.2173.6-164.400111.6R54 I55 I61 R62R54-E58 IonicContact CZ-OE1 3.71Å; R54-E58 IonicContact NH1-OE1 3.33Å; R54-E58 PolarHBondContact NH1-OE1 3.05Å; R54-E58 WeakPolarHBondContact O-CG 3.36Å; R54-E58 PolarHBondContact O-N 3.41Å; I55-E58 PolarHBondContact O-N 3.35Å; E58-I61 PolarHBondContact O-N 3.4Å; E58-R62 WeakPolarHBondContact O-CB 3.35Å; E58-R62 PolarHBondContact O-N 2.87Å
59N97.7Very high96.5Very high31 Ų3172.9 Ų72.917%0.16635%0.351CS..Hα-helixtrans-63.1-42.2176.1-69.3-21.5000112.2Q37 I55 Y56 A57 R62 K63Q37-N59 HydrophobicContact CB-CB 4.43Å; Q37-N59 HydrophobicContact CG-CB 3.91Å; I55-N59 WeakPolarHBondContact O-CB 3.3Å; I55-N59 PolarHBondContact O-N 3.1Å; I55-N59 PolarHBondContact O-ND2 2.97Å; Y56-N59 PolarHBondContact O-N 3.32Å; A57-N59 VanDerWaalsContact C-N 3.32Å; A57-N59 PolarHBondContact O-N 3.03Å; N59-R62 PolarHBondContact O-N 3.47Å; N59-R62 PolarHBondContact OD1-NH1 3.45Å; N59-R62 PolarHBondContact OD1-NH2 3Å; N59-K63 WeakPolarHBondContact O-CB 3.48Å; N59-K63 WeakPolarHBondContact O-CG 3.38Å; N59-K63 PolarHBondContact O-N 2.91Å
60A98Very high96.7Very high5 Ų572 Ų724%0.04134%0.343CS..Hα-helixtrans-62-46.1178.100000111.5S34 Q37 K38 Y56 A57 K63 Q64S34-A60 PolarHBondContact OG-O 3.25Å; Q37-A60 HydrophobicContact CB-CB 3.71Å; K38-A60 HydrophobicContact CG-CB 3.93Å; Y56-A60 WeakPolarHBondContact O-CB 3.42Å; Y56-A60 PolarHBondContact O-N 3.31Å; A57-A60 WeakPolarHBondContact O-CB 3.29Å; A57-A60 PolarHBondContact O-N 3.18Å; A60-K63 PolarHBondContact O-N 3.41Å; A60-Q64 WeakPolarHBondContact O-CB 3.39Å; A60-Q64 PolarHBondContact O-N 3.36Å
61I97.9Very high96.8Very high100 Ų10070.8 Ų70.851%0.51334%0.337SS..Hα-helixtrans-63-46.4177.3-67.2167.3000110.3A57 E58 K63 Q64 K65A57-I61 WeakPolarHBondContact O-CG1 2.97Å; A57-I61 PolarHBondContact O-N 2.98Å; E58-I61 PolarHBondContact O-N 3.4Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.28Å; I61-Q64 PolarHBondContact O-N 2.92Å; I61-K65 HydrophobicContact CG2-CD 4.29Å; I61-K65 WeakPolarHBondContact O-CG 3.12Å; I61-K65 PolarHBondContact O-N 2.97Å
62R98Very high96.7Very high141 Ų14169 Ų6953%0.53233%0.325SS..Hα-helixtrans-58.4-45.1178.2-174.4173.963.7-122.6-3.7111.5E58 N59 K65 E66E58-R62 WeakPolarHBondContact O-CB 3.35Å; E58-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact O-N 3.47Å; N59-R62 PolarHBondContact OD1-NH1 3.45Å; N59-R62 PolarHBondContact OD1-NH2 3Å; R62-K65 PolarHBondContact O-N 3.09Å; R62-E66 WeakPolarHBondContact O-CB 3.43Å; R62-E66 PolarHBondContact O-N 3.25Å
63K98.1Very high96.5Very high48 Ų4870 Ų7021%0.20933%0.326CS..Hα-helixtrans-67.8-35.7177.5-74.2-65.4179.2178.50113.5E33 N59 A60 I61 E66 S67E33-K63 HydrophobicContact CB-CD 4.13Å; E33-K63 HydrophobicContact CB-CG 4.25Å; E33-K63 WeakPolarHBondContact OE2-CD 3.26Å; E33-K63 WeakPolarHBondContact OE2-CE 3.37Å; E33-K63 IonicContact OE2-NZ 3.15Å; E33-K63 PolarHBondContact OE2-NZ 3.41Å; N59-K63 WeakPolarHBondContact O-CB 3.48Å; N59-K63 WeakPolarHBondContact O-CG 3.38Å; N59-K63 PolarHBondContact O-N 2.91Å; A60-K63 PolarHBondContact O-N 3.41Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.28Å; K63-E66 VanDerWaalsContact CD-OE2 3.31Å; K63-E66 WeakPolarHBondContact CD-OE2 3.31Å; K63-E66 IonicContact NZ-OE2 2.67Å; K63-E66 PolarHBondContact NZ-OE2 3.27Å; K63-E66 PolarHBondContact O-N 3.23Å; K63-S67 PolarHBondContact O-N 3.09Å
64Q98.1Very high96.2Very high77 Ų7769.9 Ų69.936%0.3633%0.325SS..Hα-helixtrans-64.1-45.4173.2-172.761.139.900111.2A60 I61 E66 S67 T68A60-Q64 WeakPolarHBondContact O-CB 3.39Å; A60-Q64 PolarHBondContact O-N 3.36Å; I61-Q64 PolarHBondContact O-N 2.92Å; Q64-E66 VanDerWaalsContact C-N 3.32Å; Q64-E66 PolarHBondContact O-N 2.83Å; Q64-S67 WeakPolarHBondContact O-CB 3.37Å; Q64-S67 PolarHBondContact O-N 2.9Å; Q64-T68 PolarHBondContact O-N 3.25Å; Q64-T68 PolarHBondContact O-OG1 2.93Å
65K97.3Very high95.9Very high150 Ų15066.4 Ų66.465%0.65232%0.322SS*.Hα-helixtrans-60.9-41.3175.4-72.4-177.6177.9-175.20111.9I61 R62 T68 N69I61-K65 HydrophobicContact CG2-CD 4.29Å; I61-K65 WeakPolarHBondContact O-CG 3.12Å; I61-K65 PolarHBondContact O-N 2.97Å; R62-K65 PolarHBondContact O-N 3.09Å; K65-T68 PolarHBondContact O-N 3.05Å; K65-N69 WeakPolarHBondContact O-CB 3Å; K65-N69 PolarHBondContact O-N 2.65Å
66E96.4Very high95.5Very high59 Ų5966.2 Ų66.228%0.27632%0.316SS..Hα-helixtrans-59.4-46.4174.7-173.3-177.8178.900111.2A30 R62 K63 Q64 N69 Y70A30-E66 HydrophobicContact CB-CB 4.33Å; A30-E66 HydrophobicContact CB-CG 4.24Å; R62-E66 WeakPolarHBondContact O-CB 3.43Å; R62-E66 PolarHBondContact O-N 3.25Å; K63-E66 VanDerWaalsContact CD-OE2 3.31Å; K63-E66 WeakPolarHBondContact CD-OE2 3.31Å; K63-E66 IonicContact NZ-OE2 2.67Å; K63-E66 PolarHBondContact NZ-OE2 3.27Å; K63-E66 PolarHBondContact O-N 3.23Å; Q64-E66 VanDerWaalsContact C-N 3.32Å; Q64-E66 PolarHBondContact O-N 2.83Å; E66-N69 PolarHBondContact O-N 3.38Å; E66-Y70 HydrophobicContact CG-CD2 3.96Å; E66-Y70 HydrophobicContact CG-CE2 3.37Å; E66-Y70 VanDerWaalsContact O-CD2 3.26Å; E66-Y70 WeakPolarHBondContact O-CD2 3.39Å; E66-Y70 PolarHBondContact O-N 2.98Å; E66-Y70 VanDerWaalsContact OE1-CE2 3.26Å; E66-Y70 WeakPolarHBondContact OE1-CE2 3.26Å; E66-Y70 PolarHBondContact OE1-OH 3.39Å
67S97.6Very high95.1Very high9 Ų965.4 Ų65.46%0.06331%0.314CS..Hα-helixtrans-57.9-52.1175.4178.50000112.3S27 K63 Q64 N69 Y70 L71S27-S67 WeakPolarHBondContact O-CB 3.4Å; S27-S67 PolarHBondContact O-OG 3.39Å; S27-S67 PolarHBondContact OG-O 3.21Å; S27-S67 PolarHBondContact OG-OG 3.22Å; K63-S67 PolarHBondContact O-N 3.09Å; Q64-S67 WeakPolarHBondContact O-CB 3.37Å; Q64-S67 PolarHBondContact O-N 2.9Å; S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 PolarHBondContact O-N 2.9Å; S67-Y70 PolarHBondContact O-N 3.46Å; S67-L71 PolarHBondContact O-N 3.03Å
68T94.8Very high94.6Very high61 Ų6167.8 Ų67.837%0.37432%0.323SS..Hα-helixtrans-60.5-37.1178.1-570000112.1Q64 K65 L71 R72Q64-T68 PolarHBondContact O-N 3.25Å; Q64-T68 PolarHBondContact O-OG1 2.93Å; K65-T68 PolarHBondContact O-N 3.05Å; T68-L71 PolarHBondContact O-N 3.47Å; T68-R72 WeakPolarHBondContact O-CB 3.49Å; T68-R72 PolarHBondContact O-N 2.9Å
69N95Very high94Very high85 Ų8564.8 Ų64.846%0.45531%0.313SS..Hα-helixtrans-65.8-43.6176.5-172.861.8000112.1K65 E66 S67 R72 M73K65-N69 WeakPolarHBondContact O-CB 3Å; K65-N69 PolarHBondContact O-N 2.65Å; E66-N69 PolarHBondContact O-N 3.38Å; S67-N69 VanDerWaalsContact C-N 3.27Å; S67-N69 PolarHBondContact O-N 2.9Å; N69-R72 PolarHBondContact O-N 3.17Å; N69-M73 PolarHBondContact O-N 3.31Å
70Y97.1Very high93.5Very high55 Ų5566.4 Ų66.422%0.21632%0.324CS..Hα-helixtrans-62.5-43.1173.1-71.3-48.1000111.7V23 F26 A30 E66 S67 R72 M73 A74V23-Y70 HydrophobicContact CG1-CD1 4.09Å; V23-Y70 HydrophobicContact CG1-CG 4.4Å; V23-Y70 WeakPolarHBondContact CG1-O 3.4Å; F26-Y70 HydrophobicContact CB-CD1 4.2Å; F26-Y70 HydrophobicContact CB-CD2 3.72Å; F26-Y70 HydrophobicContact CB-CE1 4.26Å; F26-Y70 HydrophobicContact CB-CE2 3.76Å; F26-Y70 HydrophobicContact CB-CG 3.97Å; F26-Y70 HydrophobicContact CD2-CE1 4.39Å; A30-Y70 HydrophobicContact CB-CD2 4.44Å; E66-Y70 HydrophobicContact CG-CD2 3.96Å; E66-Y70 HydrophobicContact CG-CE2 3.37Å; E66-Y70 VanDerWaalsContact O-CD2 3.26Å; E66-Y70 WeakPolarHBondContact O-CD2 3.39Å; E66-Y70 PolarHBondContact O-N 2.98Å; E66-Y70 VanDerWaalsContact OE1-CE2 3.26Å; E66-Y70 WeakPolarHBondContact OE1-CE2 3.26Å; E66-Y70 PolarHBondContact OE1-OH 3.39Å; S67-Y70 PolarHBondContact O-N 3.46Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 2.96Å; Y70-M73 HydrophobicContact CD1-CE 3.96Å; Y70-M73 HydrophobicContact CE1-CE 4.36Å; Y70-M73 PolarHBondContact O-N 3.28Å; Y70-M73 VanDerWaalsContact O-N 3.11Å; Y70-A74 PolarHBondContact O-N 2.96Å
71L94.6Very high93Very high81 Ų8167.4 Ų67.442%0.42433%0.327SS..Hα-helixtrans-57.6-47.1176.5-176.660.3000111.5M24 S67 T68 M73 A74 S75M24-L71 HydrophobicContact CE-CD1 4.09Å; M24-L71 HydrophobicContact SD-CD1 3.79Å; S67-L71 PolarHBondContact O-N 3.03Å; T68-L71 PolarHBondContact O-N 3.47Å; L71-M73 VanDerWaalsContact C-N 3.29Å; L71-M73 PolarHBondContact O-N 3.02Å; L71-A74 WeakPolarHBondContact O-CB 3.26Å; L71-A74 PolarHBondContact O-N 2.89Å; L71-S75 PolarHBondContact O-N 2.96Å; L71-S75 PolarHBondContact O-OG 2.92Å
72R91.9Very high92.4Very high86 Ų8664.8 Ų64.833%0.32532%0.318SS..Hα-helixtrans-59.5-40.7175.7-172.5-178.8-64.6140.1-3.6111.9T68 N69 Y70 S75 R76T68-R72 WeakPolarHBondContact O-CB 3.49Å; T68-R72 PolarHBondContact O-N 2.9Å; N69-R72 PolarHBondContact O-N 3.17Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; Y70-R72 PolarHBondContact O-N 2.96Å; R72-S75 PolarHBondContact O-N 2.72Å; R72-R76 VanDerWaalsContact O-CG 3.26Å; R72-R76 WeakPolarHBondContact O-CG 3.04Å; R72-R76 PolarHBondContact O-N 2.98Å
73M90.8Very high91.8Very high66 Ų6663.3 Ų63.333%0.32531%0.312SS..Hα-helixtrans-67.1-38.7177.4-174.7161.576.600112.2V23 N69 Y70 L71 R76 F77V23-M73 HydrophobicContact CB-CE 4.29Å; V23-M73 HydrophobicContact CG1-CB 4.05Å; V23-M73 HydrophobicContact CG1-CE 3.75Å; V23-M73 HydrophobicContact CG1-CG 4.29Å; V23-M73 HydrophobicContact CG2-CE 3.45Å; V23-M73 VanDerWaalsContact CG2-CE 3.45Å; N69-M73 PolarHBondContact O-N 3.31Å; Y70-M73 HydrophobicContact CD1-CE 3.96Å; Y70-M73 HydrophobicContact CE1-CE 4.36Å; Y70-M73 PolarHBondContact O-N 3.28Å; Y70-M73 VanDerWaalsContact O-N 3.11Å; L71-M73 VanDerWaalsContact C-N 3.29Å; L71-M73 PolarHBondContact O-N 3.02Å; M73-R76 WeakPolarHBondContact O-CB 3.46Å; M73-R76 PolarHBondContact O-N 2.93Å; M73-F77 HydrophobicContact CG-CD2 4.24Å; M73-F77 HydrophobicContact CG-CE2 3.81Å; M73-F77 HydrophobicContact CG-CZ 4.13Å; M73-F77 WeakPolarHBondContact O-CD2 3.31Å; M73-F77 PolarHBondContact O-N 2.98Å; M73-F77 HydrophobicContact SD-CE2 4.44Å; M73-F77 HydrophobicContact SD-CZ 4.49Å
74A91.5Very high91.3Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-61.7-47.8173.600000111.7V23 M24 Y70 L71 R76 F77 D78V23-A74 HydrophobicContact CG1-CB 4.07Å; M24-A74 HydrophobicContact CG-CB 3.58Å; M24-A74 HydrophobicContact SD-CB 3.35Å; M24-A74 WeakPolarHBondContact SD-CB 3.34Å; Y70-A74 PolarHBondContact O-N 2.96Å; L71-A74 WeakPolarHBondContact O-CB 3.26Å; L71-A74 PolarHBondContact O-N 2.89Å; A74-R76 PolarHBondContact O-N 2.84Å; A74-F77 WeakPolarHBondContact O-CA 3.46Å; A74-F77 WeakPolarHBondContact O-CB 3.48Å; A74-F77 PolarHBondContact O-N 3.44Å; A74-D78 PolarHBondContact O-N 2.98Å
75S89.1Confident90.8Very high68 Ų6862 Ų6248%0.47631%0.308SS..Hα-helixtrans-58.3-38.2175.6-53.50000112.3L71 R72 D78 A79L71-S75 PolarHBondContact O-N 2.96Å; L71-S75 PolarHBondContact O-OG 2.92Å; R72-S75 PolarHBondContact O-N 2.72Å; S75-D78 PolarHBondContact O-N 3Å; S75-A79 PolarHBondContact O-N 3.04Å
76R89.1Confident90.2Very high81 Ų8156.1 Ų56.131%0.30629%0.285SS..Hα-helixtrans-64.2-41.8173.6-71.8172.5177.9-174.8-2112R72 M73 A74 D78 A79 V80 L147R72-R76 VanDerWaalsContact O-CG 3.26Å; R72-R76 WeakPolarHBondContact O-CG 3.04Å; R72-R76 PolarHBondContact O-N 2.98Å; M73-R76 WeakPolarHBondContact O-CB 3.46Å; M73-R76 PolarHBondContact O-N 2.93Å; A74-R76 PolarHBondContact O-N 2.84Å; R76-D78 VanDerWaalsContact C-N 3.34Å; R76-A79 PolarHBondContact O-N 3.28Å; R76-V80 VanDerWaalsContact O-CG2 3.31Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 2.99Å; R76-L147 HydrophobicContact CG-CD1 4.17Å; R76-L147 HydrophobicContact CG-CD2 4.19Å; R76-L147 HydrophobicContact CG-CG 4.34Å
77F88.9Confident89.7Confident54 Ų5455.1 Ų55.124%0.23729%0.287CS..Hα-helixtrans-63.2-40.7175.6-72.7-40.4000112.1L16 A19 A20 V23 M73 A74 A79 V80 Q81L16-F77 HydrophobicContact CD2-CD1 3.8Å; L16-F77 HydrophobicContact CD2-CE1 4.25Å; A19-F77 HydrophobicContact CB-CD2 4.35Å; A19-F77 HydrophobicContact CB-CE2 4.05Å; A19-F77 HydrophobicContact CB-CZ 4.39Å; A20-F77 HydrophobicContact CB-CB 3.77Å; A20-F77 HydrophobicContact CB-CD2 4.41Å; V23-F77 HydrophobicContact CG2-CD2 4.39Å; V23-F77 HydrophobicContact CG2-CE2 3.85Å; M73-F77 HydrophobicContact CG-CD2 4.24Å; M73-F77 HydrophobicContact CG-CE2 3.81Å; M73-F77 HydrophobicContact CG-CZ 4.13Å; M73-F77 WeakPolarHBondContact O-CD2 3.31Å; M73-F77 PolarHBondContact O-N 2.98Å; M73-F77 HydrophobicContact SD-CE2 4.44Å; M73-F77 HydrophobicContact SD-CZ 4.49Å; A74-F77 WeakPolarHBondContact O-CA 3.46Å; A74-F77 WeakPolarHBondContact O-CB 3.48Å; A74-F77 PolarHBondContact O-N 3.44Å; F77-A79 PolarHBondContact O-N 3.3Å; F77-V80 PolarHBondContact O-N 3.41Å; F77-Q81 WeakPolarHBondContact O-CB 3.37Å; F77-Q81 VanDerWaalsContact O-CG 3.22Å; F77-Q81 WeakPolarHBondContact O-CG 3.14Å; F77-Q81 PolarHBondContact O-N 2.91Å
78D86.8Confident89.2Confident80 Ų8055.5 Ų55.543%0.42829%0.288SS..Hα-helixtrans-63.5-41.4176.4-66.7-23.1000111.7A74 S75 R76 V80 Q81 S82A74-D78 PolarHBondContact O-N 2.98Å; S75-D78 PolarHBondContact O-N 3Å; R76-D78 VanDerWaalsContact C-N 3.34Å; D78-V80 PolarHBondContact O-N 3.33Å; D78-Q81 WeakPolarHBondContact O-CB 3.49Å; D78-Q81 PolarHBondContact O-N 3.42Å; D78-Q81 PolarHBondContact OD1-NE2 3.18Å; D78-S82 PolarHBondContact O-N 3.43Å
79A86.1Confident88.8Confident24 Ų2455 Ų5520%0.19829%0.286CS..Hα-helixtrans-61-43.7173.600000112.1S75 R76 F77 S82 R83 L147S75-A79 PolarHBondContact O-N 3.04Å; R76-A79 PolarHBondContact O-N 3.28Å; F77-A79 PolarHBondContact O-N 3.3Å; A79-S82 PolarHBondContact O-N 3.15Å; A79-R83 PolarHBondContact O-N 3.48Å; A79-L147 HydrophobicContact CB-CD1 4.45Å
80V87Confident88.3Confident64 Ų6455.5 Ų55.539%0.38829%0.286SS..Hα-helixtrans-67.2-40.2176.9175.90000111.3L16 R76 F77 D78 S82 R83 V84L16-V80 HydrophobicContact CD1-CG1 3.82Å; L16-V80 HydrophobicContact CD2-CG1 4.29Å; R76-V80 VanDerWaalsContact O-CG2 3.31Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 2.99Å; F77-V80 PolarHBondContact O-N 3.41Å; D78-V80 PolarHBondContact O-N 3.33Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; V80-R83 PolarHBondContact O-N 3.02Å; V80-R83 VanDerWaalsContact O-N 3.17Å; V80-V84 HydrophobicContact CG1-CG2 4.22Å; V80-V84 WeakPolarHBondContact O-CG2 3.47Å; V80-V84 PolarHBondContact O-N 3.11Å
81Q87.5Confident87.9Confident26 Ų2655.7 Ų55.712%0.12129%0.291CS..Hα-helixtrans-57.6-44.4174.4-73.616830.200111.5L13 L16 R17 A20 F77 D78 R83 V84 Q85L13-Q81 HydrophobicContact CD1-CB 3.92Å; L13-Q81 HydrophobicContact CD1-CG 4.16Å; L13-Q81 WeakPolarHBondContact CD1-O 3.35Å; L16-Q81 VanDerWaalsContact C-NE2 3.34Å; L16-Q81 HydrophobicContact CB-CG 3.61Å; L16-Q81 HydrophobicContact CD1-CG 4.46Å; L16-Q81 PolarHBondContact O-NE2 3.19Å; R17-Q81 VanDerWaalsContact CA-NE2 3.3Å; R17-Q81 HydrophobicContact CG-CG 4.24Å; A20-Q81 VanDerWaalsContact CB-NE2 3.25Å; F77-Q81 WeakPolarHBondContact O-CB 3.37Å; F77-Q81 VanDerWaalsContact O-CG 3.22Å; F77-Q81 WeakPolarHBondContact O-CG 3.14Å; F77-Q81 PolarHBondContact O-N 2.91Å; D78-Q81 WeakPolarHBondContact O-CB 3.49Å; D78-Q81 PolarHBondContact O-N 3.42Å; D78-Q81 PolarHBondContact OD1-NE2 3.18Å; Q81-R83 VanDerWaalsContact C-N 3.32Å; Q81-R83 PolarHBondContact O-N 2.87Å; Q81-V84 PolarHBondContact O-N 3.34Å; Q81-Q85 WeakPolarHBondContact O-CB 3.35Å; Q81-Q85 PolarHBondContact O-N 3.39Å
82S85.5Confident87.5Confident45 Ų4555.8 Ų55.832%0.31529%0.289SS..Hα-helixtrans-58.6-44.7176.4-1760000111.3D78 A79 V80 Q85 T86D78-S82 PolarHBondContact O-N 3.43Å; A79-S82 PolarHBondContact O-N 3.15Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; S82-Q85 PolarHBondContact O-N 2.85Å; S82-T86 VanDerWaalsContact O-CB 3.29Å; S82-T86 WeakPolarHBondContact O-CB 3.42Å; S82-T86 PolarHBondContact O-N 3.11Å; S82-T86 PolarHBondContact O-OG1 2.88Å
83R84.9Confident87.3Confident110 Ų11051.8 Ų51.842%0.41528%0.275SS..Hα-helixtrans-64.6-39.8175.8-67.7-177.3-177.1-166.71.7113A79 V80 Q81 T86 A87 M141 I144A79-R83 PolarHBondContact O-N 3.48Å; V80-R83 PolarHBondContact O-N 3.02Å; V80-R83 VanDerWaalsContact O-N 3.17Å; Q81-R83 VanDerWaalsContact C-N 3.32Å; Q81-R83 PolarHBondContact O-N 2.87Å; R83-T86 WeakPolarHBondContact O-CB 3.42Å; R83-T86 PolarHBondContact O-N 3.2Å; R83-A87 WeakPolarHBondContact O-CB 3.31Å; R83-A87 PolarHBondContact O-N 3.39Å; R83-M141 HydrophobicContact CG-SD 4.42Å; R83-I144 PolarHBondContact NH2-O 3.38Å
84V87.8Confident87.2Confident22 Ų2252.7 Ų52.713%0.13328%0.284CS..Hα-helixtrans-68.1-43.4177.2172.70000111L9 L13 L16 V80 Q81 T86 A87 L88L9-V84 HydrophobicContact CD2-CG1 4.46Å; L13-V84 HydrophobicContact CB-CG1 3.93Å; L13-V84 HydrophobicContact CD1-CB 4.24Å; L13-V84 HydrophobicContact CD1-CG1 4.18Å; L16-V84 HydrophobicContact CD1-CG2 3.97Å; V80-V84 HydrophobicContact CG1-CG2 4.22Å; V80-V84 WeakPolarHBondContact O-CG2 3.47Å; V80-V84 PolarHBondContact O-N 3.11Å; Q81-V84 PolarHBondContact O-N 3.34Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 2.95Å; V84-A87 PolarHBondContact O-N 2.82Å; V84-L88 HydrophobicContact CG1-CD1 4.25Å; V84-L88 WeakPolarHBondContact O-CG 3.22Å; V84-L88 PolarHBondContact O-N 2.92Å
85Q86.4Confident87.1Confident75 Ų7556.3 Ų56.335%0.3530%0.299SS..Hα-helixtrans-59.4-43.9175.9-178.563.261.700111.2L13 Q81 S82 L88 T89L13-Q85 HydrophobicContact CD2-CB 4.5Å; Q81-Q85 WeakPolarHBondContact O-CB 3.35Å; Q81-Q85 PolarHBondContact O-N 3.39Å; S82-Q85 PolarHBondContact O-N 2.85Å; Q85-L88 WeakPolarHBondContact O-CB 3.48Å; Q85-L88 PolarHBondContact O-N 3.45Å; Q85-T89 PolarHBondContact O-N 3.38Å; Q85-T89 PolarHBondContact O-OG1 2.96Å; Q85-T89 VanDerWaalsContact O-OG1 3.13Å
86T84.9Confident87.1Confident27 Ų2755.2 Ų55.217%0.16629%0.288CS..Hα-helixtrans-57.4-50.4173.5-62.80000111.5S82 R83 V84 L88 T89 M90 M137 M141S82-T86 VanDerWaalsContact O-CB 3.29Å; S82-T86 WeakPolarHBondContact O-CB 3.42Å; S82-T86 PolarHBondContact O-N 3.11Å; S82-T86 PolarHBondContact O-OG1 2.88Å; R83-T86 WeakPolarHBondContact O-CB 3.42Å; R83-T86 PolarHBondContact O-N 3.2Å; V84-T86 VanDerWaalsContact C-N 3.29Å; V84-T86 PolarHBondContact O-N 2.95Å; T86-L88 VanDerWaalsContact C-N 3.3Å; T86-L88 PolarHBondContact O-N 2.84Å; T86-T89 PolarHBondContact O-N 3.02Å; T86-M90 PolarHBondContact O-N 2.85Å; T86-M137 HydrophobicContact CG2-CE 2.98Å; T86-M137 HydrophobicContact CG2-CG 3.94Å; T86-M137 HydrophobicContact CG2-SD 3.22Å; T86-M137 WeakPolarHBondContact CG2-SD 3.46Å; T86-M141 HydrophobicContact CG2-CE 3.59Å
87A86Confident87.2Confident39 Ų3953.3 Ų53.332%0.32228%0.283SS..Hα-helixtrans-61.5-37.717800000112.1R83 V84 M90 N91R83-A87 WeakPolarHBondContact O-CB 3.31Å; R83-A87 PolarHBondContact O-N 3.39Å; V84-A87 PolarHBondContact O-N 2.82Å; A87-M90 PolarHBondContact O-N 3.38Å; A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 3.49Å; A87-N91 PolarHBondContact O-ND2 3.31Å
88L87.5Confident87.3Confident16 Ų1652.2 Ų52.28%0.08429%0.287CS..Hα-helixtrans-63-46.2174.9-77.8170.2000111.9T6 L9 Q10 L13 V84 Q85 T86 M90 N91 Q92T6-L88 HydrophobicContact CG2-CD2 3.9Å; L9-L88 HydrophobicContact CB-CD2 3.44Å; L9-L88 VanDerWaalsContact CB-CD2 3.44Å; L9-L88 HydrophobicContact CB-CG 4.02Å; L9-L88 HydrophobicContact CD1-CD2 4.26Å; Q10-L88 HydrophobicContact CG-CD1 3.97Å; Q10-L88 HydrophobicContact CG-CD2 3.74Å; L13-L88 HydrophobicContact CB-CD1 4.38Å; L13-L88 HydrophobicContact CD2-CD1 3.87Å; V84-L88 HydrophobicContact CG1-CD1 4.25Å; V84-L88 WeakPolarHBondContact O-CG 3.22Å; V84-L88 PolarHBondContact O-N 2.92Å; Q85-L88 WeakPolarHBondContact O-CB 3.48Å; Q85-L88 PolarHBondContact O-N 3.45Å; T86-L88 VanDerWaalsContact C-N 3.3Å; T86-L88 PolarHBondContact O-N 2.84Å; L88-M90 PolarHBondContact O-N 2.96Å; L88-N91 PolarHBondContact O-N 3Å; L88-Q92 PolarHBondContact O-N 2.9Å
89T85.3Confident87.6Confident51 Ų5150.5 Ų50.531%0.31329%0.285SS..Hα-helixtrans-59.8-46.4175.5-57.20000110.8Q85 T86 N91 Q92 V93Q85-T89 PolarHBondContact O-N 3.38Å; Q85-T89 PolarHBondContact O-OG1 2.96Å; Q85-T89 VanDerWaalsContact O-OG1 3.13Å; T86-T89 PolarHBondContact O-N 3.02Å; T89-N91 PolarHBondContact O-N 3.37Å; T89-Q92 WeakPolarHBondContact O-CB 3.44Å; T89-Q92 PolarHBondContact O-N 3.02Å; T89-Q92 VanDerWaalsContact O-N 3.12Å; T89-V93 WeakPolarHBondContact O-CG2 3.42Å; T89-V93 PolarHBondContact O-N 3.21Å
90M85.5Confident87.9Confident96 Ų9649.4 Ų49.447%0.47328%0.276SS..Hα-helixtrans-63.2-42.1178.6-169.661.8178.300112.1T86 A87 L88 Q92 V93 V94 L130T86-M90 PolarHBondContact O-N 2.85Å; A87-M90 PolarHBondContact O-N 3.38Å; L88-M90 PolarHBondContact O-N 2.96Å; M90-Q92 VanDerWaalsContact C-N 3.26Å; M90-Q92 PolarHBondContact O-N 3.17Å; M90-V93 PolarHBondContact O-N 3.43Å; M90-V94 WeakPolarHBondContact O-CG2 3.44Å; M90-V94 PolarHBondContact O-N 2.97Å; M90-L130 HydrophobicContact CE-CD1 4.23Å; M90-L130 HydrophobicContact SD-CD1 4.09Å
91N87.9Confident88.1Confident58 Ų5849.1 Ų49.131%0.3128%0.276SS..Hα-helixtrans-59.6-37.3173.9-83.7-68.5000112A87 L88 T89 K95A87-N91 WeakPolarHBondContact O-CB 3.32Å; A87-N91 PolarHBondContact O-N 3.49Å; A87-N91 PolarHBondContact O-ND2 3.31Å; L88-N91 PolarHBondContact O-N 3Å; T89-N91 PolarHBondContact O-N 3.37Å; N91-K95 WeakPolarHBondContact O-CG 3.41Å; N91-K95 PolarHBondContact O-N 3.42Å; N91-K95 VanDerWaalsContact O-N 3.11Å
92Q87.1Confident88.4Confident83 Ų8352.2 Ų52.239%0.38829%0.294SS..Hα-helixtrans-67.3-42.2176.4-173.357.943.200111.7L88 T89 M90 K95 N96L88-Q92 PolarHBondContact O-N 2.9Å; T89-Q92 WeakPolarHBondContact O-CB 3.44Å; T89-Q92 PolarHBondContact O-N 3.02Å; T89-Q92 VanDerWaalsContact O-N 3.12Å; M90-Q92 VanDerWaalsContact C-N 3.26Å; M90-Q92 PolarHBondContact O-N 3.17Å; Q92-K95 WeakPolarHBondContact O-CB 3.42Å; Q92-K95 PolarHBondContact O-N 3.38Å; Q92-N96 PolarHBondContact NE2-OD1 2.88Å; Q92-N96 VanDerWaalsContact O-CG 3.31Å; Q92-N96 PolarHBondContact O-N 2.8Å; Q92-N96 PolarHBondContact O-OD1 3.22Å
93V87Confident88.7Confident3 Ų353.5 Ų53.52%0.01830%0.295CS..Hα-helixtrans-62.9-44.2177179.90000111T89 M90 K95 N96 I97 L130T89-V93 WeakPolarHBondContact O-CG2 3.42Å; T89-V93 PolarHBondContact O-N 3.21Å; M90-V93 PolarHBondContact O-N 3.43Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 3.03Å; V93-N96 PolarHBondContact O-N 3.25Å; V93-N96 VanDerWaalsContact O-N 3.1Å; V93-I97 HydrophobicContact CG1-CD1 3.8Å; V93-I97 HydrophobicContact CG1-CG1 4.27Å; V93-I97 WeakPolarHBondContact O-CG1 3.48Å; V93-I97 PolarHBondContact O-N 3.23Å; V93-L130 HydrophobicContact CB-CD1 4.26Å; V93-L130 HydrophobicContact CG1-CB 4.1Å; V93-L130 HydrophobicContact CG1-CD1 3.47Å; V93-L130 VanDerWaalsContact CG1-CD1 3.47Å; V93-L130 HydrophobicContact CG1-CG 4.32Å
94V88.8Confident89Confident85 Ų8549.5 Ų49.552%0.51528%0.282SS..Hα-helixtrans-58.3-40.4175.31720000111.6M90 G98M90-V94 WeakPolarHBondContact O-CG2 3.44Å; M90-V94 PolarHBondContact O-N 2.97Å; V94-G98 PolarHBondContact O-N 3.07Å
95K90Very high89.2Confident75 Ų7552.7 Ų52.733%0.32630%0.295SS..Hα-helixtrans-64.9-42.7174.9-73175.2-173.1175.50112.2T6 N91 Q92 V93 G98 A99T6-K95 WeakPolarHBondContact OG1-CE 3.41Å; T6-K95 PolarHBondContact OG1-NZ 3.18Å; N91-K95 WeakPolarHBondContact O-CG 3.41Å; N91-K95 PolarHBondContact O-N 3.42Å; N91-K95 VanDerWaalsContact O-N 3.11Å; Q92-K95 WeakPolarHBondContact O-CB 3.42Å; Q92-K95 PolarHBondContact O-N 3.38Å; V93-K95 VanDerWaalsContact C-N 3.28Å; V93-K95 PolarHBondContact O-N 3.03Å; K95-G98 PolarHBondContact O-N 3.19Å; K95-A99 WeakPolarHBondContact O-CB 3.31Å; K95-A99 PolarHBondContact O-N 3.17Å
96N89Confident89.5Confident46 Ų4656 Ų5625%0.24631%0.308CS..Hα-helixtrans-63.8-47.7179.2-67-4.5000111Q92 V93 G98 A99 V100 Q126Q92-N96 PolarHBondContact NE2-OD1 2.88Å; Q92-N96 VanDerWaalsContact O-CG 3.31Å; Q92-N96 PolarHBondContact O-N 2.8Å; Q92-N96 PolarHBondContact O-OD1 3.22Å; V93-N96 PolarHBondContact O-N 3.25Å; V93-N96 VanDerWaalsContact O-N 3.1Å; N96-G98 VanDerWaalsContact C-N 3.31Å; N96-G98 PolarHBondContact O-N 3.48Å; N96-A99 WeakPolarHBondContact O-CB 3.37Å; N96-A99 PolarHBondContact O-N 3.41Å; N96-A99 VanDerWaalsContact O-N 3.11Å; N96-V100 WeakPolarHBondContact O-CG2 3.29Å; N96-V100 PolarHBondContact O-N 2.8Å; N96-Q126 HydrophobicContact CB-CG 4.37Å; N96-Q126 PolarHBondContact ND2-OE1 3.12Å
97I90.3Very high89.9Confident40 Ų4054.8 Ų54.821%0.20530%0.301CS..Hα-helixtrans-59.3-44.2176.4-66.8171.1000110.3V93 A99 V100 S101 Q126 L130V93-I97 HydrophobicContact CG1-CD1 3.8Å; V93-I97 HydrophobicContact CG1-CG1 4.27Å; V93-I97 WeakPolarHBondContact O-CG1 3.48Å; V93-I97 PolarHBondContact O-N 3.23Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 3.25Å; I97-V100 PolarHBondContact O-N 2.73Å; I97-S101 VanDerWaalsContact O-CB 3.31Å; I97-S101 WeakPolarHBondContact O-CB 3.09Å; I97-S101 PolarHBondContact O-N 3.4Å; I97-Q126 HydrophobicContact CG1-CB 4.39Å; I97-L130 HydrophobicContact CD1-CD2 4.48Å
98G92.3Very high90.1Very high31 Ų3158.7 Ų58.732%0.3231%0.314SS..Hα-helixtrans-59.9-40.517500000113V94 K95 N96 N102V94-G98 PolarHBondContact O-N 3.07Å; K95-G98 PolarHBondContact O-N 3.19Å; N96-G98 VanDerWaalsContact C-N 3.31Å; N96-G98 PolarHBondContact O-N 3.48Å; G98-N102 PolarHBondContact O-N 2.69Å; G98-N102 PolarHBondContact O-ND2 3.49Å
99A92.3Very high90.4Very high45 Ų4566.8 Ų66.837%0.37234%0.344SS..Hα-helixtrans-65.6-45.2176.500000112.1K95 N96 I97 N102 E103K95-A99 WeakPolarHBondContact O-CB 3.31Å; K95-A99 PolarHBondContact O-N 3.17Å; N96-A99 WeakPolarHBondContact O-CB 3.37Å; N96-A99 PolarHBondContact O-N 3.41Å; N96-A99 VanDerWaalsContact O-N 3.11Å; I97-A99 VanDerWaalsContact C-N 3.33Å; I97-A99 PolarHBondContact O-N 3.25Å; A99-N102 PolarHBondContact O-N 2.95Å; A99-E103 WeakPolarHBondContact O-CG 3.34Å; A99-E103 PolarHBondContact O-N 3.03Å
100V92.2Very high90.7Very high1 Ų168.5 Ų68.51%0.00635%0.354CS..Hα-helixtrans-65-41.3177.1-178.70000111.1N96 I97 N102 E103 L104 V119 K122 F123 Q126N96-V100 WeakPolarHBondContact O-CG2 3.29Å; N96-V100 PolarHBondContact O-N 2.8Å; I97-V100 PolarHBondContact O-N 2.73Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 2.74Å; V100-E103 WeakPolarHBondContact O-CB 3.47Å; V100-E103 PolarHBondContact O-N 2.99Å; V100-E103 VanDerWaalsContact O-N 3.16Å; V100-L104 WeakPolarHBondContact O-CB 3.48Å; V100-L104 PolarHBondContact O-N 3.31Å; V100-V119 HydrophobicContact CG1-CG1 3.81Å; V100-K122 HydrophobicContact CG1-CB 4.48Å; V100-K122 HydrophobicContact CG1-CG 4.47Å; V100-K122 HydrophobicContact CG2-CD 3.8Å; V100-K122 HydrophobicContact CG2-CG 3.78Å; V100-F123 HydrophobicContact CB-CD2 4.44Å; V100-F123 HydrophobicContact CG1-CB 3.69Å; V100-F123 HydrophobicContact CG1-CD2 3.81Å; V100-F123 HydrophobicContact CG1-CG 4.25Å; V100-Q126 HydrophobicContact CG2-CG 4.04Å
101S91.7Very high90.9Very high58 Ų5871.9 Ų71.941%0.40637%0.371SS..Hα-helixtrans-60.3-38.4175.2-172.30000112.1I97 L104 E105I97-S101 VanDerWaalsContact O-CB 3.31Å; I97-S101 WeakPolarHBondContact O-CB 3.09Å; I97-S101 PolarHBondContact O-N 3.4Å; S101-L104 WeakPolarHBondContact O-CB 3.38Å; S101-L104 PolarHBondContact O-N 3.46Å; S101-E105 PolarHBondContact O-N 3.43Å; S101-E105 VanDerWaalsContact O-N 3.1Å
102N93.7Very high90.9Very high91 Ų9171.3 Ų71.349%0.48737%0.368SS..Hα-helixtrans-70.8-36.6175.4-69.9-32.9000112.4G98 A99 V100 L104 K106G98-N102 PolarHBondContact O-N 2.69Å; G98-N102 PolarHBondContact O-ND2 3.49Å; A99-N102 PolarHBondContact O-N 2.95Å; V100-N102 VanDerWaalsContact C-N 3.29Å; V100-N102 PolarHBondContact O-N 2.74Å; N102-L104 VanDerWaalsContact C-N 3.29Å; N102-K106 WeakPolarHBondContact O-CG 3.22Å; N102-K106 PolarHBondContact O-N 3.42Å
103E92.2Very high91.1Very high72 Ų7273.9 Ų73.934%0.33638%0.383SS..Hα-helixtrans-63.8-38.3173-73.4171.2-172.600110.9A99 V100 K106 A107 V119 K122A99-E103 WeakPolarHBondContact O-CG 3.34Å; A99-E103 PolarHBondContact O-N 3.03Å; V100-E103 WeakPolarHBondContact O-CB 3.47Å; V100-E103 PolarHBondContact O-N 2.99Å; V100-E103 VanDerWaalsContact O-N 3.16Å; E103-K106 PolarHBondContact O-N 3.25Å; E103-A107 PolarHBondContact O-N 2.87Å; E103-V119 HydrophobicContact CB-CG1 4.06Å; E103-V119 HydrophobicContact CB-CG2 3.86Å; E103-K122 IonicContact OE1-NZ 2.67Å; E103-K122 PolarHBondContact OE1-NZ 2.77Å; E103-K122 IonicContact OE2-NZ 3.31Å; E103-K122 PolarHBondContact OE2-NZ 2.89Å
104L90.9Very high91.3Very high26 Ų2679.4 Ų79.414%0.13641%0.409CS..Hα-helixtrans-64.7-48.4179.6176.856.8000111.2V100 S101 N102 K106 A107 M108 L116 V119 M120V100-L104 WeakPolarHBondContact O-CB 3.48Å; V100-L104 PolarHBondContact O-N 3.31Å; S101-L104 WeakPolarHBondContact O-CB 3.38Å; S101-L104 PolarHBondContact O-N 3.46Å; N102-L104 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 3.44Å; L104-A107 PolarHBondContact O-N 3.41Å; L104-A107 VanDerWaalsContact O-N 3.16Å; L104-M108 HydrophobicContact CD1-CG 4.25Å; L104-M108 HydrophobicContact CD1-SD 4.41Å; L104-M108 HydrophobicContact CG-SD 4.29Å; L104-M108 WeakPolarHBondContact O-CG 3.35Å; L104-M108 PolarHBondContact O-N 2.84Å; L104-L116 HydrophobicContact CD1-CD1 3.17Å; L104-V119 HydrophobicContact CB-CG1 3.67Å; L104-V119 HydrophobicContact CD1-CG1 4.31Å; L104-M120 HydrophobicContact CD1-CE 3.27Å; L104-M120 HydrophobicContact CD2-CE 3.23Å; L104-M120 HydrophobicContact CG-CE 3.85Å
105E92.8Very high91.4Very high89 Ų8980.6 Ų80.642%0.41641%0.407SS..Hα-helixtrans-57.6-39.8177.1-168.2-171.1161.300111.7S101 R109S101-E105 PolarHBondContact O-N 3.43Å; S101-E105 VanDerWaalsContact O-N 3.1Å; E105-R109 VanDerWaalsContact O-CG 3.27Å; E105-R109 WeakPolarHBondContact O-CG 3.36Å; E105-R109 PolarHBondContact O-N 3.31Å; E105-R109 VanDerWaalsContact O-N 3.08Å; E105-R109 IonicContact OE1-CZ 2.76Å; E105-R109 IonicContact OE1-NE 2.93Å; E105-R109 PolarHBondContact OE1-NE 3.17Å; E105-R109 VanDerWaalsContact OE1-NE 3.15Å; E105-R109 IonicContact OE1-NH2 2.64Å; E105-R109 PolarHBondContact OE1-NH2 2.96Å
106K92.9Very high91.5Very high143 Ų14379.4 Ų79.462%0.62240%0.404SS*.Hα-helixtrans-65.4-45.9176.3-70.8172.7-176.3178.50112N102 E103 L104 M108 R109 T110N102-K106 WeakPolarHBondContact O-CG 3.22Å; N102-K106 PolarHBondContact O-N 3.42Å; E103-K106 PolarHBondContact O-N 3.25Å; L104-K106 PolarHBondContact O-N 3.44Å; K106-M108 VanDerWaalsContact C-N 3.32Å; K106-M108 PolarHBondContact O-N 3.05Å; K106-R109 PolarHBondContact O-N 2.87Å; K106-T110 PolarHBondContact O-N 3.43Å; K106-T110 VanDerWaalsContact O-N 3.13Å; K106-T110 PolarHBondContact O-OG1 3.04Å
107A92.1Very high91.7Very high3 Ų384.2 Ų84.23%0.02543%0.425CS..Hα-helixtrans-62.2-40.7178.900000111.9E103 L104 T110 M111 D112 K115 L116E103-A107 PolarHBondContact O-N 2.87Å; L104-A107 PolarHBondContact O-N 3.41Å; L104-A107 VanDerWaalsContact O-N 3.16Å; A107-T110 PolarHBondContact O-N 2.86Å; A107-T110 PolarHBondContact O-OG1 3.3Å; A107-T110 VanDerWaalsContact O-OG1 3.09Å; A107-M111 PolarHBondContact O-N 3.2Å; A107-M111 VanDerWaalsContact O-N 3.11Å; A107-D112 PolarHBondContact O-N 3.03Å; A107-K115 HydrophobicContact CB-CB 4Å; A107-L116 HydrophobicContact CB-CB 4.35Å
108M90.2Very high91.9Very high121 Ų12188.2 Ų88.260%0.59644%0.441SS*.Hα-helixtrans-61.8-43.2174.8-71.3-178.67000112.1L104 K106 T110 M111 L116L104-M108 HydrophobicContact CD1-CG 4.25Å; L104-M108 HydrophobicContact CD1-SD 4.41Å; L104-M108 HydrophobicContact CG-SD 4.29Å; L104-M108 WeakPolarHBondContact O-CG 3.35Å; L104-M108 PolarHBondContact O-N 2.84Å; K106-M108 VanDerWaalsContact C-N 3.32Å; K106-M108 PolarHBondContact O-N 3.05Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 3.13Å; M108-M111 PolarHBondContact O-N 3.45Å; M108-L116 HydrophobicContact CG-CD1 4.18Å
109R93.8Very high91.9Very high186 Ų18687.4 Ų87.470%0.70243%0.43SS*.Hα-helixtrans-64.4-33.1178.2-73.6170-178-99.95.4112.8E105 K106 M111E105-R109 VanDerWaalsContact O-CG 3.27Å; E105-R109 WeakPolarHBondContact O-CG 3.36Å; E105-R109 PolarHBondContact O-N 3.31Å; E105-R109 VanDerWaalsContact O-N 3.08Å; E105-R109 IonicContact OE1-CZ 2.76Å; E105-R109 IonicContact OE1-NE 2.93Å; E105-R109 PolarHBondContact OE1-NE 3.17Å; E105-R109 VanDerWaalsContact OE1-NE 3.15Å; E105-R109 IonicContact OE1-NH2 2.64Å; E105-R109 PolarHBondContact OE1-NH2 2.96Å; K106-R109 PolarHBondContact O-N 2.87Å; R109-M111 VanDerWaalsContact C-N 3.35Å
110T92.9Very high91.8Very high87 Ų8788.4 Ų88.453%0.53443%0.428SS..Hα-helixtrans-86.5-5.3177.755.80000113.5K106 A107 M108 D112K106-T110 PolarHBondContact O-N 3.43Å; K106-T110 VanDerWaalsContact O-N 3.13Å; K106-T110 PolarHBondContact O-OG1 3.04Å; A107-T110 PolarHBondContact O-N 2.86Å; A107-T110 PolarHBondContact O-OG1 3.3Å; A107-T110 VanDerWaalsContact O-OG1 3.09Å; M108-T110 VanDerWaalsContact C-N 3.3Å; M108-T110 PolarHBondContact O-N 3.13Å; T110-D112 PolarHBondContact O-N 2.9Å; T110-D112 WeakPolarHBondContact OG1-CB 3.32Å
111M88Confident91.9Very high166 Ų16691.8 Ų91.882%0.81845%0.451SS*.THydrogen-bonded Turntrans50.533.5-171.1-61.7-178.5-7400112.8A107 M108 R109 L113A107-M111 PolarHBondContact O-N 3.2Å; A107-M111 VanDerWaalsContact O-N 3.11Å; M108-M111 PolarHBondContact O-N 3.45Å; R109-M111 VanDerWaalsContact C-N 3.35Å; M111-L113 PolarHBondContact O-N 3.37Å
112D89.3Confident92Very high46 Ų4693 Ų9325%0.24645%0.449CS..  trans-8995.5-177.8-173.8-31.4000108.3A107 T110 E114 K115 L116A107-D112 PolarHBondContact O-N 3.03Å; T110-D112 PolarHBondContact O-N 2.9Å; T110-D112 WeakPolarHBondContact OG1-CB 3.32Å; D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.43Å; D112-E114 PolarHBondContact OD1-N 3.41Å; D112-K115 HydrophobicContact CB-CB 4.01Å; D112-K115 HydrophobicContact CB-CD 4.2Å; D112-K115 HydrophobicContact CB-CG 4.26Å; D112-K115 VanDerWaalsContact CG-CG 3.46Å; D112-K115 PolarHBondContact O-N 3.43Å; D112-K115 PolarHBondContact OD1-N 2.88Å; D112-K115 WeakPolarHBondContact OD2-CD 3.19Å; D112-K115 WeakPolarHBondContact OD2-CE 3.27Å; D112-K115 VanDerWaalsContact OD2-CG 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.38Å; D112-K115 IonicContact OD2-NZ 2.69Å; D112-K115 PolarHBondContact OD2-NZ 2.85Å; D112-L116 WeakPolarHBondContact O-CB 3.22Å; D112-L116 PolarHBondContact O-N 2.8Å
113L90.2Very high91.8Very high138 Ų13891.4 Ų91.472%0.72344%0.438SS*.Hα-helixtrans-62.3-36.2-175.6-65.7177.2000112.4M111 L116 E117M111-L113 PolarHBondContact O-N 3.37Å; L113-L116 HydrophobicContact CD2-CD2 4.41Å; L113-L116 PolarHBondContact O-N 3Å; L113-E117 WeakPolarHBondContact O-CB 3.01Å; L113-E117 PolarHBondContact O-N 2.77Å
114E92.3Very high91.8Very high118 Ų11894.2 Ų94.255%0.55145%0.451SS*.Hα-helixtrans-68.5-42.9178.8-169.4-168.516000110.8D112 L116 K118D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.43Å; D112-E114 PolarHBondContact OD1-N 3.41Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-K118 WeakPolarHBondContact O-CG 3.45Å; E114-K118 PolarHBondContact O-N 3.23Å; E114-K118 VanDerWaalsContact O-N 3.12Å; E114-K118 WeakPolarHBondContact OE1-CE 3.46Å; E114-K118 IonicContact OE1-NZ 3.07Å; E114-K118 PolarHBondContact OE1-NZ 2.93Å
115K90.9Very high91.9Very high111 Ų11196 Ų9648%0.48347%0.466SS..Hα-helixtrans-65-40.2172.8-73.4-174.9-171.5120.60111.7A107 D112 K118 V119A107-K115 HydrophobicContact CB-CB 4Å; D112-K115 HydrophobicContact CB-CB 4.01Å; D112-K115 HydrophobicContact CB-CD 4.2Å; D112-K115 HydrophobicContact CB-CG 4.26Å; D112-K115 VanDerWaalsContact CG-CG 3.46Å; D112-K115 PolarHBondContact O-N 3.43Å; D112-K115 PolarHBondContact OD1-N 2.88Å; D112-K115 WeakPolarHBondContact OD2-CD 3.19Å; D112-K115 WeakPolarHBondContact OD2-CE 3.27Å; D112-K115 VanDerWaalsContact OD2-CG 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.38Å; D112-K115 IonicContact OD2-NZ 2.69Å; D112-K115 PolarHBondContact OD2-NZ 2.85Å; K115-K118 PolarHBondContact O-N 3.37Å; K115-V119 WeakPolarHBondContact O-CB 3.43Å; K115-V119 VanDerWaalsContact O-CG2 3.25Å; K115-V119 WeakPolarHBondContact O-CG2 3.44Å; K115-V119 PolarHBondContact O-N 3.42Å
116L91.3Very high91.8Very high50 Ų5093.1 Ų93.126%0.26245%0.452SS..Hα-helixtrans-59.2-47.2178.4178.560.8000111L104 A107 M108 D112 L113 E114 V119 M120L104-L116 HydrophobicContact CD1-CD1 3.17Å; A107-L116 HydrophobicContact CB-CB 4.35Å; M108-L116 HydrophobicContact CG-CD1 4.18Å; D112-L116 WeakPolarHBondContact O-CB 3.22Å; D112-L116 PolarHBondContact O-N 2.8Å; L113-L116 HydrophobicContact CD2-CD2 4.41Å; L113-L116 PolarHBondContact O-N 3Å; E114-L116 VanDerWaalsContact C-N 3.34Å; L116-V119 PolarHBondContact O-N 3.33Å; L116-M120 HydrophobicContact CD1-CG 4.42Å; L116-M120 WeakPolarHBondContact O-CB 3.42Å; L116-M120 WeakPolarHBondContact O-CG 3.46Å; L116-M120 PolarHBondContact O-N 3.13Å
117E93.2Very high91.5Very high146 Ų14690.1 Ų90.168%0.68244%0.439SS*.Hα-helixtrans-60.6-45.8176.6-173.7179.517800111.9L113 V119 M120 S121L113-E117 WeakPolarHBondContact O-CB 3.01Å; L113-E117 PolarHBondContact O-N 2.77Å; E117-V119 VanDerWaalsContact C-N 3.35Å; E117-V119 PolarHBondContact O-N 2.75Å; E117-M120 WeakPolarHBondContact O-CB 3.4Å; E117-M120 PolarHBondContact O-N 2.99Å; E117-S121 PolarHBondContact O-N 3.2Å
118K94.1Very high91.4Very high124 Ų12495.9 Ų95.954%0.53947%0.466SS..Hα-helixtrans-61.1-42.4176.5-72.6174-173.4169.40112.5E114 K115 S121 K122E114-K118 WeakPolarHBondContact O-CG 3.45Å; E114-K118 PolarHBondContact O-N 3.23Å; E114-K118 VanDerWaalsContact O-N 3.12Å; E114-K118 WeakPolarHBondContact OE1-CE 3.46Å; E114-K118 IonicContact OE1-NZ 3.07Å; E114-K118 PolarHBondContact OE1-NZ 2.93Å; K115-K118 PolarHBondContact O-N 3.37Å; K118-S121 PolarHBondContact O-N 2.88Å; K118-K122 PolarHBondContact O-N 3.43Å
119V93Very high91.3Very high14 Ų1492 Ų929%0.08545%0.448CS..Hα-helixtrans-69.9-37.6178.6176.40000111.1V100 E103 L104 K115 L116 E117 K122 F123V100-V119 HydrophobicContact CG1-CG1 3.81Å; E103-V119 HydrophobicContact CB-CG1 4.06Å; E103-V119 HydrophobicContact CB-CG2 3.86Å; L104-V119 HydrophobicContact CB-CG1 3.67Å; L104-V119 HydrophobicContact CD1-CG1 4.31Å; K115-V119 WeakPolarHBondContact O-CB 3.43Å; K115-V119 VanDerWaalsContact O-CG2 3.25Å; K115-V119 WeakPolarHBondContact O-CG2 3.44Å; K115-V119 PolarHBondContact O-N 3.42Å; L116-V119 PolarHBondContact O-N 3.33Å; E117-V119 VanDerWaalsContact C-N 3.35Å; E117-V119 PolarHBondContact O-N 2.75Å; V119-K122 PolarHBondContact O-N 3.43Å; V119-F123 WeakPolarHBondContact O-CB 3.45Å; V119-F123 PolarHBondContact O-N 2.93Å
120M90.9Very high90.9Very high67 Ų6784.8 Ų84.833%0.3342%0.423SS..Hα-helixtrans-60.1-48.5172.8-79.3-69.7119.200111.4L104 L116 E117 K122 F123 E124L104-M120 HydrophobicContact CD1-CE 3.27Å; L104-M120 HydrophobicContact CD2-CE 3.23Å; L104-M120 HydrophobicContact CG-CE 3.85Å; L116-M120 HydrophobicContact CD1-CG 4.42Å; L116-M120 WeakPolarHBondContact O-CB 3.42Å; L116-M120 WeakPolarHBondContact O-CG 3.46Å; L116-M120 PolarHBondContact O-N 3.13Å; E117-M120 WeakPolarHBondContact O-CB 3.4Å; E117-M120 PolarHBondContact O-N 2.99Å; M120-K122 VanDerWaalsContact C-N 3.27Å; M120-K122 PolarHBondContact O-N 3.28Å; M120-F123 WeakPolarHBondContact O-CA 3.45Å; M120-F123 WeakPolarHBondContact O-CB 3.31Å; M120-F123 PolarHBondContact O-N 3.43Å; M120-E124 WeakPolarHBondContact O-CG 3.46Å; M120-E124 PolarHBondContact O-N 3.22Å
121S94.3Very high90.5Very high71 Ų7185.2 Ų85.250%0.49742%0.422SS..Hα-helixtrans-59.4-39.2176-179.10000112E117 K118 S125E117-S121 PolarHBondContact O-N 3.2Å; K118-S121 PolarHBondContact O-N 2.88Å; S121-S125 WeakPolarHBondContact O-CB 3.41Å; S121-S125 PolarHBondContact O-N 3.41Å
122K92.8Very high90.5Very high83 Ų8381.6 Ų81.636%0.36141%0.405SS..Hα-helixtrans-66.3-37.3174-171.9179.7174.4-171.20112.2V100 E103 K118 V119 M120 S125 Q126V100-K122 HydrophobicContact CG1-CB 4.48Å; V100-K122 HydrophobicContact CG1-CG 4.47Å; V100-K122 HydrophobicContact CG2-CD 3.8Å; V100-K122 HydrophobicContact CG2-CG 3.78Å; E103-K122 IonicContact OE1-NZ 2.67Å; E103-K122 PolarHBondContact OE1-NZ 2.77Å; E103-K122 IonicContact OE2-NZ 3.31Å; E103-K122 PolarHBondContact OE2-NZ 2.89Å; K118-K122 PolarHBondContact O-N 3.43Å; V119-K122 PolarHBondContact O-N 3.43Å; M120-K122 VanDerWaalsContact C-N 3.27Å; M120-K122 PolarHBondContact O-N 3.28Å; K122-S125 PolarHBondContact O-N 3.19Å; K122-Q126 WeakPolarHBondContact O-CG 3.34Å; K122-Q126 PolarHBondContact O-N 2.93Å
123F90.4Very high90.1Very high59 Ų5984 Ų8426%0.25941%0.41SS..Hα-helixtrans-64.7-49.5176.5-169.8-91.6000110.7V100 V119 M120 S125 Q126 F127V100-F123 HydrophobicContact CB-CD2 4.44Å; V100-F123 HydrophobicContact CG1-CB 3.69Å; V100-F123 HydrophobicContact CG1-CD2 3.81Å; V100-F123 HydrophobicContact CG1-CG 4.25Å; V119-F123 WeakPolarHBondContact O-CB 3.45Å; V119-F123 PolarHBondContact O-N 2.93Å; M120-F123 WeakPolarHBondContact O-CA 3.45Å; M120-F123 WeakPolarHBondContact O-CB 3.31Å; M120-F123 PolarHBondContact O-N 3.43Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.44Å; F123-Q126 PolarHBondContact O-N 2.92Å; F123-Q126 VanDerWaalsContact O-N 3.1Å; F123-F127 AromaticContact CD1-CD2 3.64Å; F123-F127 HydrophobicContact CD1-CD2 3.64Å; F123-F127 AromaticContact CD1-CE2 3.74Å; F123-F127 HydrophobicContact CD1-CE2 3.74Å; F123-F127 HydrophobicContact CD2-CE2 4.21Å; F123-F127 AromaticContact CE1-CD2 3.46Å; F123-F127 HydrophobicContact CE1-CD2 3.46Å; F123-F127 VanDerWaalsContact CE1-CD2 3.46Å; F123-F127 AromaticContact CE1-CE2 3.11Å; F123-F127 HydrophobicContact CE1-CE2 3.11Å; F123-F127 HydrophobicContact CE1-CG 4.46Å; F123-F127 AromaticContact CE1-CZ 3.86Å; F123-F127 HydrophobicContact CE1-CZ 3.86Å; F123-F127 HydrophobicContact CE2-CD2 4.4Å; F123-F127 AromaticContact CE2-CE2 3.66Å; F123-F127 HydrophobicContact CE2-CE2 3.66Å; F123-F127 HydrophobicContact CG-CD2 4.22Å; F123-F127 HydrophobicContact CG-CE2 4.26Å; F123-F127 AromaticContact CZ-CD2 3.9Å; F123-F127 HydrophobicContact CZ-CD2 3.9Å; F123-F127 AromaticContact CZ-CE2 3.09Å; F123-F127 HydrophobicContact CZ-CE2 3.09Å; F123-F127 AromaticContact CZ-CZ 3.73Å; F123-F127 HydrophobicContact CZ-CZ 3.73Å; F123-F127 WeakPolarHBondContact O-CD2 3.37Å; F123-F127 PolarHBondContact O-N 3.09Å
124E92.1Very high89.7Confident130 Ų13080.2 Ų80.261%0.60740%0.396SS*.Hα-helixtrans-54.5-47.1173.9-70172171.400111.4M120 Q126 F127 E128M120-E124 WeakPolarHBondContact O-CG 3.46Å; M120-E124 PolarHBondContact O-N 3.22Å; E124-Q126 VanDerWaalsContact C-N 3.35Å; E124-Q126 PolarHBondContact O-N 3.04Å; E124-F127 PolarHBondContact O-N 3.32Å; E124-F127 VanDerWaalsContact O-N 3.12Å; E124-E128 PolarHBondContact O-N 3.23Å
125S93.2Very high89.2Confident63 Ų6379.6 Ų79.644%0.44140%0.396SS..Hα-helixtrans-61-39176.6174.90000113.3S121 K122 F123 F127 D129S121-S125 WeakPolarHBondContact O-CB 3.41Å; S121-S125 PolarHBondContact O-N 3.41Å; K122-S125 PolarHBondContact O-N 3.19Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.44Å; S125-F127 VanDerWaalsContact C-N 3.34Å; S125-D129 WeakPolarHBondContact O-CB 3.15Å; S125-D129 PolarHBondContact O-N 3.49Å
126Q89.4Confident88.6Confident30 Ų3078.2 Ų78.214%0.1440%0.397CS..Hα-helixtrans-68.5-32.8175.3-70-52.7-69.100112.5N96 I97 V100 K122 F123 E124 L130N96-Q126 HydrophobicContact CB-CG 4.37Å; N96-Q126 PolarHBondContact ND2-OE1 3.12Å; I97-Q126 HydrophobicContact CG1-CB 4.39Å; V100-Q126 HydrophobicContact CG2-CG 4.04Å; K122-Q126 WeakPolarHBondContact O-CG 3.34Å; K122-Q126 PolarHBondContact O-N 2.93Å; F123-Q126 PolarHBondContact O-N 2.92Å; F123-Q126 VanDerWaalsContact O-N 3.1Å; E124-Q126 VanDerWaalsContact C-N 3.35Å; E124-Q126 PolarHBondContact O-N 3.04Å; Q126-L130 WeakPolarHBondContact O-CB 3.11Å; Q126-L130 PolarHBondContact O-N 2.88Å
127F86.9Confident87.9Confident79 Ų7979.6 Ų79.635%0.34640%0.402SS..Hα-helixtrans-72.7-42.2176-91.9-93.9000112.1F123 E124 S125 D129 L130 D131F123-F127 AromaticContact CD1-CD2 3.64Å; F123-F127 HydrophobicContact CD1-CD2 3.64Å; F123-F127 AromaticContact CD1-CE2 3.74Å; F123-F127 HydrophobicContact CD1-CE2 3.74Å; F123-F127 HydrophobicContact CD2-CE2 4.21Å; F123-F127 AromaticContact CE1-CD2 3.46Å; F123-F127 HydrophobicContact CE1-CD2 3.46Å; F123-F127 VanDerWaalsContact CE1-CD2 3.46Å; F123-F127 AromaticContact CE1-CE2 3.11Å; F123-F127 HydrophobicContact CE1-CE2 3.11Å; F123-F127 HydrophobicContact CE1-CG 4.46Å; F123-F127 AromaticContact CE1-CZ 3.86Å; F123-F127 HydrophobicContact CE1-CZ 3.86Å; F123-F127 HydrophobicContact CE2-CD2 4.4Å; F123-F127 AromaticContact CE2-CE2 3.66Å; F123-F127 HydrophobicContact CE2-CE2 3.66Å; F123-F127 HydrophobicContact CG-CD2 4.22Å; F123-F127 HydrophobicContact CG-CE2 4.26Å; F123-F127 AromaticContact CZ-CD2 3.9Å; F123-F127 HydrophobicContact CZ-CD2 3.9Å; F123-F127 AromaticContact CZ-CE2 3.09Å; F123-F127 HydrophobicContact CZ-CE2 3.09Å; F123-F127 AromaticContact CZ-CZ 3.73Å; F123-F127 HydrophobicContact CZ-CZ 3.73Å; F123-F127 WeakPolarHBondContact O-CD2 3.37Å; F123-F127 PolarHBondContact O-N 3.09Å; E124-F127 PolarHBondContact O-N 3.32Å; E124-F127 VanDerWaalsContact O-N 3.12Å; S125-F127 VanDerWaalsContact C-N 3.34Å; F127-D129 PolarHBondContact O-N 2.7Å; F127-L130 WeakPolarHBondContact O-CB 3.38Å; F127-L130 PolarHBondContact O-N 2.91Å; F127-D131 PolarHBondContact O-N 3.38Å
128E89.9Confident87Confident124 Ų12477.3 Ų77.358%0.57939%0.392SS*.Hα-helixtrans-61.6-44.6174.6-173.3-178.5-177.300111.3E124 L130 D131 I132E124-E128 PolarHBondContact O-N 3.23Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.2Å; E128-D131 PolarHBondContact O-N 3.38Å; E128-I132 HydrophobicContact CG-CD1 3.92Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.22Å; E128-I132 PolarHBondContact O-N 3.44Å
129D87.9Confident86.1Confident41 Ų4176.2 Ų76.222%0.21939%0.392CS..Hα-helixtrans-63.3-37.6175-176.850.5000111.7S125 F127 R133S125-D129 WeakPolarHBondContact O-CB 3.15Å; S125-D129 PolarHBondContact O-N 3.49Å; F127-D129 PolarHBondContact O-N 2.7Å; D129-R133 VanDerWaalsContact CG-NH2 3.29Å; D129-R133 WeakPolarHBondContact O-CB 3.31Å; D129-R133 WeakPolarHBondContact O-CD 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3Å; D129-R133 IonicContact OD1-CZ 2.88Å; D129-R133 VanDerWaalsContact OD1-CZ 3.31Å; D129-R133 IonicContact OD1-NE 3.9Å; D129-R133 PolarHBondContact OD1-NE 2.78Å; D129-R133 IonicContact OD1-NH2 2.78Å; D129-R133 PolarHBondContact OD1-NH2 3.2Å; D129-R133 IonicContact OD2-CZ 2.84Å; D129-R133 IonicContact OD2-NE 2.84Å; D129-R133 PolarHBondContact OD2-NE 3.03Å; D129-R133 IonicContact OD2-NH1 2.93Å; D129-R133 IonicContact OD2-NH2 3.05Å; D129-R133 PolarHBondContact OD2-NH2 3.49Å
130L86.4Confident84.9Confident34 Ų3479.1 Ų79.118%0.17841%0.413CS..Hα-helixtrans-61.6-47.8172.717879.1000111M90 V93 I97 Q126 F127 E128 R133 S134M90-L130 HydrophobicContact CE-CD1 4.23Å; M90-L130 HydrophobicContact SD-CD1 4.09Å; V93-L130 HydrophobicContact CB-CD1 4.26Å; V93-L130 HydrophobicContact CG1-CB 4.1Å; V93-L130 HydrophobicContact CG1-CD1 3.47Å; V93-L130 VanDerWaalsContact CG1-CD1 3.47Å; V93-L130 HydrophobicContact CG1-CG 4.32Å; I97-L130 HydrophobicContact CD1-CD2 4.48Å; Q126-L130 WeakPolarHBondContact O-CB 3.11Å; Q126-L130 PolarHBondContact O-N 2.88Å; F127-L130 WeakPolarHBondContact O-CB 3.38Å; F127-L130 PolarHBondContact O-N 2.91Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.2Å; L130-R133 PolarHBondContact O-N 3.05Å; L130-S134 WeakPolarHBondContact O-CB 3.37Å; L130-S134 PolarHBondContact O-N 3.44Å
131D84.6Confident83.8Confident95 Ų9576.9 Ų76.951%0.50840%0.402SS..Hα-helixtrans-66-46.5-177.5-78.5-15000111.5F127 E128 R133 S134 L135F127-D131 PolarHBondContact O-N 3.38Å; E128-D131 PolarHBondContact O-N 3.38Å; D131-R133 VanDerWaalsContact C-N 3.31Å; D131-R133 PolarHBondContact O-N 3.01Å; D131-S134 PolarHBondContact O-N 3.24Å; D131-L135 WeakPolarHBondContact O-CB 3.47Å; D131-L135 VanDerWaalsContact O-CG 3.27Å; D131-L135 WeakPolarHBondContact O-CG 3.43Å; D131-L135 PolarHBondContact O-N 3.12Å
132I86.9Confident82.5Confident90 Ų9080.8 Ų80.846%0.46241%0.406SS..Hα-helixtrans-59.6-43.8176.1-66.9169.1000110.5E128 T136E128-I132 HydrophobicContact CG-CD1 3.92Å; E128-I132 VanDerWaalsContact O-CG1 3.31Å; E128-I132 WeakPolarHBondContact O-CG1 3.22Å; E128-I132 PolarHBondContact O-N 3.44Å; I132-T136 WeakPolarHBondContact O-CB 3.37Å; I132-T136 PolarHBondContact O-N 3.34Å; I132-T136 PolarHBondContact O-OG1 3.11Å
133R82.1Confident80.9Confident96 Ų9683 Ų8336%0.36242%0.421SS..Hα-helixtrans-67.6-41.1177.5-73.7176.6-168.4-163.69.9112D129 L130 D131 T136 M137D129-R133 VanDerWaalsContact CG-NH2 3.29Å; D129-R133 WeakPolarHBondContact O-CB 3.31Å; D129-R133 WeakPolarHBondContact O-CD 3.47Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3Å; D129-R133 IonicContact OD1-CZ 2.88Å; D129-R133 VanDerWaalsContact OD1-CZ 3.31Å; D129-R133 IonicContact OD1-NE 3.9Å; D129-R133 PolarHBondContact OD1-NE 2.78Å; D129-R133 IonicContact OD1-NH2 2.78Å; D129-R133 PolarHBondContact OD1-NH2 3.2Å; D129-R133 IonicContact OD2-CZ 2.84Å; D129-R133 IonicContact OD2-NE 2.84Å; D129-R133 PolarHBondContact OD2-NE 3.03Å; D129-R133 IonicContact OD2-NH1 2.93Å; D129-R133 IonicContact OD2-NH2 3.05Å; D129-R133 PolarHBondContact OD2-NH2 3.49Å; L130-R133 PolarHBondContact O-N 3.05Å; D131-R133 VanDerWaalsContact C-N 3.31Å; D131-R133 PolarHBondContact O-N 3.01Å; R133-T136 PolarHBondContact O-N 3.02Å; R133-M137 WeakPolarHBondContact O-CB 3.35Å; R133-M137 PolarHBondContact O-N 3.35Å
134S81.4Confident79.4Confident60 Ų6081.9 Ų81.942%0.4242%0.418SS..Hα-helixtrans-61.7-46.5178-172.30000110.6L130 D131 M137 E138L130-S134 WeakPolarHBondContact O-CB 3.37Å; L130-S134 PolarHBondContact O-N 3.44Å; D131-S134 PolarHBondContact O-N 3.24Å; S134-M137 PolarHBondContact O-N 2.94Å; S134-E138 VanDerWaalsContact O-CB 3.31Å; S134-E138 WeakPolarHBondContact O-CB 3.49Å; S134-E138 PolarHBondContact O-N 3.14Å
135L81.1Confident77.5Confident105 Ų10582.7 Ų82.755%0.5542%0.42SS..Hα-helixtrans-62.8-46.7176.4-69.5170.8000112.1D131 M137 E138 N139D131-L135 WeakPolarHBondContact O-CB 3.47Å; D131-L135 VanDerWaalsContact O-CG 3.27Å; D131-L135 WeakPolarHBondContact O-CG 3.43Å; D131-L135 PolarHBondContact O-N 3.12Å; L135-M137 VanDerWaalsContact C-N 3.29Å; L135-M137 PolarHBondContact O-N 3.47Å; L135-E138 PolarHBondContact O-N 2.96Å; L135-N139 WeakPolarHBondContact O-CB 3.4Å; L135-N139 VanDerWaalsContact O-CG 3.24Å; L135-N139 PolarHBondContact O-N 2.88Å; L135-N139 PolarHBondContact O-ND2 2.79Å
136T78.7Confident75.8Confident82 Ų8283.3 Ų83.350%0.50342%0.421SS..Hα-helixtrans-63.1-40.3178.2-55.30000111.2I132 R133 S140I132-T136 WeakPolarHBondContact O-CB 3.37Å; I132-T136 PolarHBondContact O-N 3.34Å; I132-T136 PolarHBondContact O-OG1 3.11Å; R133-T136 PolarHBondContact O-N 3.02Å; T136-S140 WeakPolarHBondContact O-CB 3.38Å; T136-S140 PolarHBondContact O-N 3.32Å; T136-S140 VanDerWaalsContact O-N 3.07Å; T136-S140 PolarHBondContact O-OG 3.43Å
137M75.6Confident74.4Confident78 Ų7886.5 Ų86.538%0.38444%0.438SS..Hα-helixtrans-69.8-44.1178.2177.9-174.4148.800111.5T86 R133 S134 L135 N139 S140 M141T86-M137 HydrophobicContact CG2-CE 2.98Å; T86-M137 HydrophobicContact CG2-CG 3.94Å; T86-M137 HydrophobicContact CG2-SD 3.22Å; T86-M137 WeakPolarHBondContact CG2-SD 3.46Å; R133-M137 WeakPolarHBondContact O-CB 3.35Å; R133-M137 PolarHBondContact O-N 3.35Å; S134-M137 PolarHBondContact O-N 2.94Å; L135-M137 VanDerWaalsContact C-N 3.29Å; L135-M137 PolarHBondContact O-N 3.47Å; M137-N139 VanDerWaalsContact C-N 3.34Å; M137-N139 PolarHBondContact O-N 3.22Å; M137-S140 CarbonylContact O-C 3.57Å; M137-S140 PolarHBondContact O-N 2.94Å; M137-M141 HydrophobicContact CE-CE 3.94Å; M137-M141 WeakPolarHBondContact O-CA 3.31Å; M137-M141 WeakPolarHBondContact O-CB 3.43Å; M137-M141 PolarHBondContact O-N 3.41Å
138E75.4Confident73.6Confident98 Ų9886 Ų8646%0.45845%0.445SS..Hα-helixtrans-61.9-44.2178.3-166.3-168.1144.900110.5S134 L135 S140 M141 R142S134-E138 VanDerWaalsContact O-CB 3.31Å; S134-E138 WeakPolarHBondContact O-CB 3.49Å; S134-E138 PolarHBondContact O-N 3.14Å; L135-E138 PolarHBondContact O-N 2.96Å; E138-S140 VanDerWaalsContact C-N 3.3Å; E138-S140 PolarHBondContact O-N 3.32Å; E138-M141 PolarHBondContact O-N 3.08Å; E138-R142 WeakPolarHBondContact O-CB 3.5Å; E138-R142 PolarHBondContact O-N 2.88Å; E138-R142 IonicContact OE1-CZ 3.06Å; E138-R142 IonicContact OE1-NH2 3.33Å; E138-R142 PolarHBondContact OE1-NH2 3.12Å
139N74.7Confident72.9Confident102 Ų10282.3 Ų82.355%0.54544%0.435SS..Hα-helixtrans-59.9-41.1174.6-72.2-23.9000112L135 M137L135-N139 WeakPolarHBondContact O-CB 3.4Å; L135-N139 VanDerWaalsContact O-CG 3.24Å; L135-N139 PolarHBondContact O-N 2.88Å; L135-N139 PolarHBondContact O-ND2 2.79Å; M137-N139 VanDerWaalsContact C-N 3.34Å; M137-N139 PolarHBondContact O-N 3.22Å
140S68.1Low72.5Confident75 Ų7583.2 Ų83.252%0.52444%0.443SS..Hα-helixtrans-74.3-33.1178-55.90000112.6T136 M137 E138 I144T136-S140 WeakPolarHBondContact O-CB 3.38Å; T136-S140 PolarHBondContact O-N 3.32Å; T136-S140 VanDerWaalsContact O-N 3.07Å; T136-S140 PolarHBondContact O-OG 3.43Å; M137-S140 CarbonylContact O-C 3.57Å; M137-S140 PolarHBondContact O-N 2.94Å; E138-S140 VanDerWaalsContact C-N 3.3Å; E138-S140 PolarHBondContact O-N 3.32Å; S140-I144 WeakPolarHBondContact O-CD1 3.38Å
141M68.4Low72.3Confident19 Ų1985.8 Ų85.89%0.09446%0.455CS..Hα-helixtrans-88.5-23.7-172.9-164.776.283.700112.7R83 T86 M137 E138 N143 I144 F145R83-M141 HydrophobicContact CG-SD 4.42Å; T86-M141 HydrophobicContact CG2-CE 3.59Å; M137-M141 HydrophobicContact CE-CE 3.94Å; M137-M141 WeakPolarHBondContact O-CA 3.31Å; M137-M141 WeakPolarHBondContact O-CB 3.43Å; M137-M141 PolarHBondContact O-N 3.41Å; E138-M141 PolarHBondContact O-N 3.08Å; M141-N143 PolarHBondContact O-N 2.99Å; M141-I144 HydrophobicContact CG-CB 4.47Å; M141-I144 PolarHBondContact O-N 3.02Å; M141-I144 HydrophobicContact SD-CB 3.84Å; M141-I144 HydrophobicContact SD-CD1 3.95Å; M141-I144 HydrophobicContact SD-CG1 4.44Å; M141-I144 HydrophobicContact SD-CG2 3.89Å; M141-F145 HydrophobicContact CB-CE2 4.17Å; M141-F145 HydrophobicContact CG-CD2 4.06Å; M141-F145 HydrophobicContact CG-CE2 3.43Å; M141-F145 VanDerWaalsContact CG-CE2 3.43Å; M141-F145 HydrophobicContact CG-CZ 3.81Å; M141-F145 WeakPolarHBondContact O-CD2 3.47Å; M141-F145 PolarHBondContact O-N 3.06Å
142R66.3Low72.4Confident154 Ų15487.8 Ų87.858%0.58147%0.465SS*.THydrogen-bonded Turntrans-51.1-31.7175.5-165.4172.4-66.5175.60.7111.9E138E138-R142 WeakPolarHBondContact O-CB 3.5Å; E138-R142 PolarHBondContact O-N 2.88Å; E138-R142 IonicContact OE1-CZ 3.06Å; E138-R142 IonicContact OE1-NH2 3.33Å; E138-R142 PolarHBondContact OE1-NH2 3.12Å
143N59.7Low72.4Confident128 Ų12889.6 Ų89.668%0.68447%0.472SS*.THydrogen-bonded Turntrans-88.6-9.7178.9-60.70.2000114.3M141M141-N143 PolarHBondContact O-N 2.99Å
144I58Low72.6Confident37 Ų3787.5 Ų87.519%0.1947%0.467CS..THydrogen-bonded Turntrans-99-13.5-174.3-59.8174.3000112.1R83 S140 M141 T146R83-I144 PolarHBondContact NH2-O 3.38Å; S140-I144 WeakPolarHBondContact O-CD1 3.38Å; M141-I144 HydrophobicContact CG-CB 4.47Å; M141-I144 PolarHBondContact O-N 3.02Å; M141-I144 HydrophobicContact SD-CB 3.84Å; M141-I144 HydrophobicContact SD-CD1 3.95Å; M141-I144 HydrophobicContact SD-CG1 4.44Å; M141-I144 HydrophobicContact SD-CG2 3.89Å; I144-T146 VanDerWaalsContact C-N 3.31Å; I144-T146 PolarHBondContact O-N 2.67Å
145F52.8Low73Confident147 Ų14786.7 Ų86.765%0.64546%0.458SS*.SBendtrans-68-30.9-176.4-81.1-73.9000113.1M141M141-F145 HydrophobicContact CB-CE2 4.17Å; M141-F145 HydrophobicContact CG-CD2 4.06Å; M141-F145 HydrophobicContact CG-CE2 3.43Å; M141-F145 VanDerWaalsContact CG-CE2 3.43Å; M141-F145 HydrophobicContact CG-CZ 3.81Å; M141-F145 WeakPolarHBondContact O-CD2 3.47Å; M141-F145 PolarHBondContact O-N 3.06Å
146T57.9Low73.5Confident76 Ų7685.3 Ų85.347%0.46646%0.457SS..SBendtrans-87.2122164.856.40000107.6I144 S148I144-T146 VanDerWaalsContact C-N 3.31Å; I144-T146 PolarHBondContact O-N 2.67Å; T146-S148 CarbonylContact C-O 3.53Å; T146-S148 WeakPolarHBondContact CB-O 3.44Å; T146-S148 PolarHBondContact O-N 3.07Å; T146-S148 PolarHBondContact OG1-O 2.94Å
147L60.6Low73.9Confident97 Ų9786.3 Ų86.351%0.50846%0.459SS..SBendtrans-57.6-13.2178.3-169.164.6000112.7R76 A79R76-L147 HydrophobicContact CG-CD1 4.17Å; R76-L147 HydrophobicContact CG-CD2 4.19Å; R76-L147 HydrophobicContact CG-CG 4.34Å; A79-L147 HydrophobicContact CB-CD1 4.45Å
148S69Low74.7Confident68 Ų6886.1 Ų86.148%0.47646%0.459SS..SBendtrans-132.5145171.651.20000109.1T146T146-S148 CarbonylContact C-O 3.53Å; T146-S148 WeakPolarHBondContact CB-O 3.44Å; T146-S148 PolarHBondContact O-N 3.07Å; T146-S148 PolarHBondContact OG1-O 2.94Å
149A75.3Confident75.3Confident46 Ų4687.5 Ų87.538%0.3846%0.463SS..  trans-58.4158.3166.400000110.7E151 I154A149-E151 PolarHBondContact O-N 3.32Å; A149-I154 HydrophobicContact CB-CD1 4.13Å; A149-I154 HydrophobicContact CB-CG1 3.89Å; A149-I154 VanDerWaalsContact O-CD1 3.29Å; A149-I154 WeakPolarHBondContact O-CD1 3.45Å
150P79.4Confident76.1Confident60 Ų6087.3 Ų87.339%0.3946%0.459SS..  trans-55.2138172.3-24.234.9000111.5D152 E153 I154P150-D152 PolarHBondContact O-N 2.9Å; P150-E153 HydrophobicContact CB-CB 4.49Å; P150-E153 HydrophobicContact CB-CG 4.25Å; P150-E153 HydrophobicContact CG-CG 4.36Å; P150-E153 PolarHBondContact O-N 3.1Å; P150-E153 VanDerWaalsContact O-N 3.09Å; P150-I154 WeakPolarHBondContact O-CG1 3.32Å; P150-I154 PolarHBondContact O-N 2.82Å
151E82.4Confident77Confident89 Ų8986.8 Ų86.842%0.41645%0.452SS..Hα-helixtrans-56.2-37.4-179.1-74.3-70162.300112.2A149 E153 I154 N155A149-E151 PolarHBondContact O-N 3.32Å; E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 3.41Å; E151-I154 PolarHBondContact O-N 3.38Å; E151-N155 VanDerWaalsContact O-CB 3.29Å; E151-N155 WeakPolarHBondContact O-CB 3.45Å; E151-N155 PolarHBondContact O-N 2.98Å; E151-N155 PolarHBondContact O-ND2 3.41Å; E151-N155 VanDerWaalsContact O-ND2 3.16Å
152D86.8Confident77.9Confident137 Ų13786.3 Ų86.373%0.73345%0.452SS*.Hα-helixtrans-63.4-39.9178.5-64.5-32.7000112.4P150 S156P150-D152 PolarHBondContact O-N 2.9Å; D152-S156 VanDerWaalsContact O-CB 3.23Å; D152-S156 WeakPolarHBondContact O-CB 3.39Å; D152-S156 PolarHBondContact O-N 2.92Å
153E86.2Confident79Confident127 Ų12785.1 Ų85.159%0.59345%0.453SS*.Hα-helixtrans-68.3-41175.6-67.7179.6-158.900111P150 E151 L157P150-E153 HydrophobicContact CB-CB 4.49Å; P150-E153 HydrophobicContact CB-CG 4.25Å; P150-E153 HydrophobicContact CG-CG 4.36Å; P150-E153 PolarHBondContact O-N 3.1Å; P150-E153 VanDerWaalsContact O-N 3.09Å; E151-E153 VanDerWaalsContact C-N 3.35Å; E151-E153 PolarHBondContact O-N 3.41Å; E153-L157 WeakPolarHBondContact O-CB 3.47Å; E153-L157 PolarHBondContact O-N 3.29Å
154I87Confident80.2Confident53 Ų5385.1 Ų85.127%0.27245%0.449SS..Hα-helixtrans-61-49.7176.1-65169.7000110A149 P150 E151 L157 I158A149-I154 HydrophobicContact CB-CD1 4.13Å; A149-I154 HydrophobicContact CB-CG1 3.89Å; A149-I154 VanDerWaalsContact O-CD1 3.29Å; A149-I154 WeakPolarHBondContact O-CD1 3.45Å; P150-I154 WeakPolarHBondContact O-CG1 3.32Å; P150-I154 PolarHBondContact O-N 2.82Å; E151-I154 PolarHBondContact O-N 3.38Å; I154-L157 PolarHBondContact O-N 2.96Å; I154-I158 HydrophobicContact CG2-CD1 3.79Å; I154-I158 HydrophobicContact CG2-CG1 4.45Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.41Å; I154-I158 PolarHBondContact O-N 3.22Å
155N89.1Confident81.2Confident42 Ų4288 Ų8823%0.22546%0.464CS..Hα-helixtrans-66.4-40.5-177.6-68.2-22.4000111.8E151 L157 I158 K159 I173E151-N155 VanDerWaalsContact O-CB 3.29Å; E151-N155 WeakPolarHBondContact O-CB 3.45Å; E151-N155 PolarHBondContact O-N 2.98Å; E151-N155 PolarHBondContact O-ND2 3.41Å; E151-N155 VanDerWaalsContact O-ND2 3.16Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-I158 PolarHBondContact O-N 3.31Å; N155-K159 WeakPolarHBondContact O-CB 3.49Å; N155-K159 PolarHBondContact O-N 2.86Å; N155-I173 HydrophobicContact CB-CG2 3.82Å; N155-I173 WeakPolarHBondContact OD1-CG2 3.25Å
156S91.9Very high82.3Confident76 Ų7686.3 Ų86.353%0.53147%0.471SS..Hα-helixtrans-60.1-44.7173.4-173.20000111.3D152 K159 Q160D152-S156 VanDerWaalsContact O-CB 3.23Å; D152-S156 WeakPolarHBondContact O-CB 3.39Å; D152-S156 PolarHBondContact O-N 2.92Å; S156-K159 PolarHBondContact O-N 3Å; S156-Q160 PolarHBondContact O-N 3.37Å
157L88.5Confident82.5Confident103 Ų10387.9 Ų87.954%0.53948%0.476SS..Hα-helixtrans-65.7-43.4178.2-177.763.5000112E153 I154 N155 K159 Q160 V161E153-L157 WeakPolarHBondContact O-CB 3.47Å; E153-L157 PolarHBondContact O-N 3.29Å; I154-L157 PolarHBondContact O-N 2.96Å; N155-L157 VanDerWaalsContact C-N 3.34Å; L157-K159 VanDerWaalsContact C-N 3.29Å; L157-K159 PolarHBondContact O-N 3.48Å; L157-Q160 PolarHBondContact O-N 3.01Å; L157-V161 HydrophobicContact CD1-CG2 4.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 3.1Å
158I90.4Very high82.4Confident74 Ų7491.9 Ų91.938%0.37949%0.492SS..Hα-helixtrans-59.1-44.2176-68.4167.7000110.2I154 N155 V161 A162 I173I154-I158 HydrophobicContact CG2-CD1 3.79Å; I154-I158 HydrophobicContact CG2-CG1 4.45Å; I154-I158 VanDerWaalsContact O-CG1 3.3Å; I154-I158 WeakPolarHBondContact O-CG1 3.41Å; I154-I158 PolarHBondContact O-N 3.22Å; N155-I158 PolarHBondContact O-N 3.31Å; I158-V161 PolarHBondContact O-N 2.87Å; I158-A162 VanDerWaalsContact O-CB 3.24Å; I158-A162 WeakPolarHBondContact O-CB 3.35Å; I158-A162 PolarHBondContact O-N 3.31Å; I158-I173 HydrophobicContact CB-CD1 4.15Å; I158-I173 HydrophobicContact CG2-CD1 3.63Å; I158-I173 HydrophobicContact CG2-CG1 4.27Å
159K89.6Confident81.7Confident127 Ų12792 Ų9255%0.55249%0.489SS*.Hα-helixtrans-62.7-46178.5-174.7-179.7174-172.10111.9N155 S156 L157 V161 A162 E163N155-K159 WeakPolarHBondContact O-CB 3.49Å; N155-K159 PolarHBondContact O-N 2.86Å; S156-K159 PolarHBondContact O-N 3Å; L157-K159 VanDerWaalsContact C-N 3.29Å; L157-K159 PolarHBondContact O-N 3.48Å; K159-V161 PolarHBondContact O-N 3.01Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.87Å; K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 3.28Å
160Q90.4Very high80.5Confident99 Ų9994.1 Ų94.146%0.46350%0.501SS..Hα-helixtrans-59.2-48.2177.4-176.3-174-19.200111.5S156 L157 A162 E163 E164S156-Q160 PolarHBondContact O-N 3.37Å; L157-Q160 PolarHBondContact O-N 3.01Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.16Å; Q160-E163 PolarHBondContact O-N 3.07Å; Q160-E164 PolarHBondContact NE2-OE1 2.99Å; Q160-E164 WeakPolarHBondContact O-CG 3.42Å; Q160-E164 PolarHBondContact O-N 3.05Å
161V88.3Confident79.2Confident63 Ų6399.8 Ų99.838%0.38252%0.523SS..Hα-helixtrans-66.2-34.3-179.8174.50000111.6L157 I158 K159 N165L157-V161 HydrophobicContact CD1-CG2 4.28Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 3.1Å; I158-V161 PolarHBondContact O-N 2.87Å; K159-V161 PolarHBondContact O-N 3.01Å; V161-N165 PolarHBondContact O-N 3.15Å; V161-N165 VanDerWaalsContact O-N 3.1Å; V161-N165 PolarHBondContact O-ND2 2.83Å
162A86.9Confident77.8Confident10 Ų1099.5 Ų99.58%0.08354%0.535CS..Hα-helixtrans-63.2-47.2174.600000112.5I158 K159 Q160 N165 S166 L167 V169I158-A162 VanDerWaalsContact O-CB 3.24Å; I158-A162 WeakPolarHBondContact O-CB 3.35Å; I158-A162 PolarHBondContact O-N 3.31Å; K159-A162 WeakPolarHBondContact O-CB 3.47Å; K159-A162 PolarHBondContact O-N 2.87Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.16Å; A162-N165 PolarHBondContact O-N 3.36Å; A162-S166 PolarHBondContact O-N 2.93Å; A162-L167 PolarHBondContact O-N 3.11Å; A162-V169 HydrophobicContact CB-CB 3.87Å; A162-V169 HydrophobicContact CB-CG2 3.27Å
163E88.2Confident76.1Confident128 Ų12895.7 Ų95.760%0.59851%0.514SS*.Hα-helixtrans-60.6-44.9176.5-72.4173.1-174.900111K159 Q160 N165 S166K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 WeakPolarHBondContact O-CG 3.32Å; K159-E163 PolarHBondContact O-N 3.28Å; Q160-E163 PolarHBondContact O-N 3.07Å; E163-N165 VanDerWaalsContact C-N 3.35Å; E163-N165 PolarHBondContact O-N 3.41Å; E163-S166 PolarHBondContact O-N 3.1Å
164E84.9Confident74.4Confident129 Ų12994 Ų9460%0.60352%0.522SS*.Hα-helixtrans-62.7-37.4178.1-74.2174.8-17000113.1Q160Q160-E164 PolarHBondContact NE2-OE1 2.99Å; Q160-E164 WeakPolarHBondContact O-CG 3.42Å; Q160-E164 PolarHBondContact O-N 3.05Å
165N80.4Confident72.4Confident97 Ų9798.5 Ų98.552%0.51955%0.547SS..THydrogen-bonded Turntrans-90.53-178-73.9-91.6000113.8V161 A162 E163 L167V161-N165 PolarHBondContact O-N 3.15Å; V161-N165 VanDerWaalsContact O-N 3.1Å; V161-N165 PolarHBondContact O-ND2 2.83Å; A162-N165 PolarHBondContact O-N 3.36Å; E163-N165 VanDerWaalsContact C-N 3.35Å; E163-N165 PolarHBondContact O-N 3.41Å; N165-L167 HydrophobicContact CB-CB 4.33Å; N165-L167 HydrophobicContact CB-CD1 3.57Å; N165-L167 HydrophobicContact CB-CG 3.64Å; N165-L167 PolarHBondContact O-N 3.27Å
166S75.9Confident70.4Confident111 Ų111100.1 Ų100.178%0.77657%0.566SS**THydrogen-bonded Turntrans49.728.7-168.4-55.60000112.5A162 E163 E168A162-S166 PolarHBondContact O-N 2.93Å; E163-S166 PolarHBondContact O-N 3.1Å; S166-E168 PolarHBondContact O-N 2.67Å
167L61.9Low68Low109 Ų109101.9 Ų101.957%0.57158%0.575SS**  trans-84.4108.3175-70.4169.1000105.8A162 N165 V169A162-L167 PolarHBondContact O-N 3.11Å; N165-L167 HydrophobicContact CB-CB 4.33Å; N165-L167 HydrophobicContact CB-CD1 3.57Å; N165-L167 HydrophobicContact CB-CG 3.64Å; N165-L167 PolarHBondContact O-N 3.27Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 2.86Å
168E58.8Low65.9Low182 Ų182102.5 Ų102.585%0.8558%0.584SS**  trans-58.694.4170.7-71.6-175.6169.500109.2S166 S170S166-E168 PolarHBondContact O-N 2.67Å; E168-S170 PolarHBondContact O-N 3.42Å
169V53.6Low63.7Low69 Ų69103 Ų10342%0.41859%0.59SS.*  trans-76.877.9167.4176.20000107A162 L167 H171 I173A162-V169 HydrophobicContact CB-CB 3.87Å; A162-V169 HydrophobicContact CB-CG2 3.27Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 2.86Å; V169-H171 PolarHBondContact O-N 2.91Å; V169-I173 HydrophobicContact CG1-CD1 3.86Å; V169-I173 HydrophobicContact CG1-CG1 3.94Å
170S50.2Low61.2Low91 Ų9199.3 Ų99.364%0.63659%0.588SS**  trans-70.7109.8171.142.70000109.1E168 A172E168-S170 PolarHBondContact O-N 3.42Å; S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.32Å
171H52.3Low58.5Low180 Ų18096 Ų9683%0.83358%0.581SS**SBendtrans56.3-1.7156.9-93.7-65.9000121.8V169 I173V169-H171 PolarHBondContact O-N 2.91Å; H171-I173 VanDerWaalsContact C-N 3.34Å; H171-I173 PolarHBondContact O-N 3.28Å
172A52Low55.9Low82 Ų8299 Ų9968%0.67860%0.599SS**G310 helixtrans-81-3.6-174.500000116S170S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.32Å
173I51.9Low53.6Low57 Ų57105.2 Ų105.229%0.29263%0.63SS.*G310 helixtrans-78.4-22.7-176.3-62.7-176.1000112.6N155 I158 V169 H171 D175N155-I173 HydrophobicContact CB-CG2 3.82Å; N155-I173 WeakPolarHBondContact OD1-CG2 3.25Å; I158-I173 HydrophobicContact CB-CD1 4.15Å; I158-I173 HydrophobicContact CG2-CD1 3.63Å; I158-I173 HydrophobicContact CG2-CG1 4.27Å; V169-I173 HydrophobicContact CG1-CD1 3.86Å; V169-I173 HydrophobicContact CG1-CG1 3.94Å; H171-I173 VanDerWaalsContact C-N 3.34Å; H171-I173 PolarHBondContact O-N 3.28Å; I173-D175 PolarHBondContact O-N 3.03Å
174A51.4Low50.9Low93 Ų93103.5 Ų103.577%0.76963%0.632SS**G310 helixtrans-79.9-12.3-168.700000115.8
175D44.3Very low48.5Very low146 Ų146103.1 Ų103.178%0.78164%0.638SS**G310 helixtrans-139.630.5-165.9-154.533000115.1I173 P177I173-D175 PolarHBondContact O-N 3.03Å; D175-P177 WeakPolarHBondContact O-CD 3.48Å
176A46Very low46.3Very low76 Ų76104.8 Ų104.863%0.62865%0.647SS**  trans-77.6110.5168.800000109.5V178A176-V178 PolarHBondContact O-N 3.5Å
177P43Very low44.2Very low113 Ų113102.4 Ų102.473%0.73463%0.631SS**  trans-65125178.724.6-32.8000110.3D175 V179D175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-V179 PolarHBondContact O-N 2.91Å
178V44.4Very low43.1Very low117 Ų117105.4 Ų105.471%0.70964%0.642SS**  trans-46.8103.7170.7-1130000109.8A176 G180A176-V178 PolarHBondContact O-N 3.5Å; V178-G180 PolarHBondContact O-N 2.76Å
179V43.7Very low42.4Very low84 Ų84102 Ų10251%0.50964%0.638SS.*  trans-88.154.7150.4-168.60000106.9P177 G181P177-V179 PolarHBondContact O-N 2.91Å; V179-G181 PolarHBondContact O-N 2.93Å
180G36Very low41.6Very low50 Ų50102.7 Ų102.752%0.51565%0.646SS.*  trans-7060.6159.800000108.4V178 T182V178-G180 PolarHBondContact O-N 2.76Å; G180-T182 PolarHBondContact O-N 3.26Å
181G34.9Very low41.2Very low30 Ų30106.7 Ų106.731%0.30965%0.647SS.*  trans-73.377.2165.600000107.6V179 L183V179-G181 PolarHBondContact O-N 2.93Å; G181-L183 PolarHBondContact O-N 3.08Å
182T33.6Very low40.8Very low124 Ų124105 Ų10576%0.76165%0.645SS**  trans-51.697.7139.134.10000105.2G180 S184G180-T182 PolarHBondContact O-N 3.26Å; T182-S184 PolarHBondContact O-N 2.94Å
183L38.1Very low40.6Very low141 Ų141104.6 Ų104.674%0.73864%0.641SS**  trans-64.580.4149.7-92.583.9000104.8G181 V185G181-L183 PolarHBondContact O-N 3.08Å; L183-V185 HydrophobicContact CB-CG2 4.38Å; L183-V185 PolarHBondContact O-N 3.47Å
184S31.2Very low40.3Very low93 Ų93109.3 Ų109.365%0.6566%0.662SS**  trans-5498139.6-82.60000104T182 N186T182-S184 PolarHBondContact O-N 2.94Å; S184-N186 PolarHBondContact O-N 3.16Å
185V35.9Very low40Very low120 Ų120109.6 Ų109.673%0.72765%0.651SS**  trans-67.770.1156.5-169.40000105.1L183L183-V185 HydrophobicContact CB-CG2 4.38Å; L183-V185 PolarHBondContact O-N 3.47Å
186N34Very low40.8Very low132 Ų132106.1 Ų106.171%0.70663%0.632SS**  trans-12355.3165.1-152.175.2000106.2S184S184-N186 PolarHBondContact O-N 3.16Å
187S31.5Very low41.6Very low62 Ų62105.4 Ų105.443%0.43463%0.626SS.*  trans-103.170.5169.156.40000107.7
188E38.5Very low41.9Very low171 Ų171104.4 Ų104.480%0.79961%0.614SS**  trans-103.714.2164.8-97.8-173150.300112.5
189S44.8Very low42.7Very low111 Ų111102.2 Ų102.278%0.77660%0.601SS**SBendtrans-137.125.217866.50000115.9
190S36.9Very low43.5Very low84 Ų84105.8 Ų105.859%0.58761%0.605SS**SBendtrans-141.418.8167.961.70000114.1D192S190-D192 PolarHBondContact O-N 3.01Å
191R41.5Very low44.6Very low174 Ų174111.7 Ų111.766%0.65761%0.612SS**Hα-helixtrans-70.5-14.4171.2-82.9-178.5161.2164-4.4113.5A193R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.29Å
192D43.2Very low45.8Very low145 Ų145118.4 Ų118.478%0.77563%0.629SS**Hα-helixtrans-78.3-10.4-176.8-62.3-37000114.6S190S190-D192 PolarHBondContact O-N 3.01Å
193A48.1Very low47Very low73 Ų73117.3 Ų117.360%0.60362%0.619SS**Hα-helixtrans-99.8-36.8-175.600000114.6R191R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.29Å
194E44.8Very low48Very low157 Ų157116.7 Ų116.773%0.73462%0.616SS**Hα-helixtrans-87.1-33.5-177.4-72.4-171.715900112.9D196 A197 L198E194-D196 PolarHBondContact O-N 3.34Å; E194-A197 PolarHBondContact O-N 3.31Å; E194-L198 PolarHBondContact O-N 3.32Å; E194-L198 VanDerWaalsContact O-N 3.16Å
195D46.3Very low49.5Very low99 Ų99117.5 Ų117.553%0.52961%0.611SS.*Hα-helixtrans-66.3-31.1172.4-82.4-16.1000110.9T199D195-T199 WeakPolarHBondContact O-CB 3.45Å; D195-T199 PolarHBondContact O-N 3.28Å; D195-T199 PolarHBondContact O-OG1 3.12Å
196D60.6Low50.2Low72 Ų72113.7 Ų113.739%0.38560%0.596SS.*Hα-helixtrans-70.1-33.5177.1-145.740.8000111.6E194 R200E194-D196 PolarHBondContact O-N 3.34Å; D196-R200 VanDerWaalsContact O-CB 3.22Å; D196-R200 WeakPolarHBondContact O-CB 3.36Å; D196-R200 WeakPolarHBondContact O-CD 3.35Å; D196-R200 WeakPolarHBondContact O-CG 3.27Å; D196-R200 PolarHBondContact O-N 2.94Å; D196-R200 IonicContact OD2-CZ 2.77Å; D196-R200 IonicContact OD2-NE 2.77Å; D196-R200 PolarHBondContact OD2-NE 3.33Å; D196-R200 IonicContact OD2-NH2 3.63Å; D196-R200 PolarHBondContact OD2-NH2 2.94Å
197A61.9Low50.7Low61 Ų61113.6 Ų113.650%0.50460%0.595SS.*Hα-helixtrans-72-41.7176.100000112.7E194 R201E194-A197 PolarHBondContact O-N 3.31Å; A197-R201 PolarHBondContact O-N 3.41Å; A197-R201 VanDerWaalsContact O-N 3.09Å
198L50.4Low51.6Low93 Ų93114.2 Ų114.249%0.48760%0.604SS.*Hα-helixtrans-68.5-41.3174.2-79.6163.5000111.1E194 R201 Y202E194-L198 PolarHBondContact O-N 3.32Å; E194-L198 VanDerWaalsContact O-N 3.16Å; L198-R201 WeakPolarHBondContact O-CB 3.15Å; L198-R201 PolarHBondContact O-N 3.19Å; L198-R201 VanDerWaalsContact O-N 3.15Å; L198-Y202 VanDerWaalsContact O-CD2 3.22Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.22Å
199T60.7Low52.2Low70 Ų70109.9 Ų109.943%0.42960%0.597SS.*Hα-helixtrans-64.7-41.3176.8-57.60000111.5D195 R201 Y202 N203D195-T199 WeakPolarHBondContact O-CB 3.45Å; D195-T199 PolarHBondContact O-N 3.28Å; D195-T199 PolarHBondContact O-OG1 3.12Å; T199-R201 VanDerWaalsContact C-N 3.3Å; T199-R201 PolarHBondContact O-N 3.11Å; T199-Y202 PolarHBondContact O-N 3.18Å; T199-N203 WeakPolarHBondContact O-CB 3.37Å; T199-N203 PolarHBondContact O-N 3.33Å
200R59.9Low52.3Low160 Ų160112 Ų11260%0.60460%0.599SS**Hα-helixtrans-61.3-37.6172.2-75.6168-167.5-139.96112.1D196 N203 L204D196-R200 VanDerWaalsContact O-CB 3.22Å; D196-R200 WeakPolarHBondContact O-CB 3.36Å; D196-R200 WeakPolarHBondContact O-CD 3.35Å; D196-R200 WeakPolarHBondContact O-CG 3.27Å; D196-R200 PolarHBondContact O-N 2.94Å; D196-R200 IonicContact OD2-CZ 2.77Å; D196-R200 IonicContact OD2-NE 2.77Å; D196-R200 PolarHBondContact OD2-NE 3.33Å; D196-R200 IonicContact OD2-NH2 3.63Å; D196-R200 PolarHBondContact OD2-NH2 2.94Å; R200-N203 PolarHBondContact O-N 3.28Å; R200-L204 WeakPolarHBondContact O-CB 3.33Å; R200-L204 WeakPolarHBondContact O-CG 3.2Å; R200-L204 PolarHBondContact O-N 2.86Å
201R59.6Low52.4Low173 Ų173118.9 Ų118.965%0.65361%0.612SS**Hα-helixtrans-66.3-40.9175.9-166.4-176.3179.5-169.50111.8A197 L198 T199 I205A197-R201 PolarHBondContact O-N 3.41Å; A197-R201 VanDerWaalsContact O-N 3.09Å; L198-R201 WeakPolarHBondContact O-CB 3.15Å; L198-R201 PolarHBondContact O-N 3.19Å; L198-R201 VanDerWaalsContact O-N 3.15Å; T199-R201 VanDerWaalsContact C-N 3.3Å; T199-R201 PolarHBondContact O-N 3.11Å; R201-I205 HydrophobicContact CG-CD1 4.37Å; R201-I205 WeakPolarHBondContact O-CD1 3.29Å; R201-I205 VanDerWaalsContact O-CG1 3.31Å; R201-I205 WeakPolarHBondContact O-CG1 3.41Å; R201-I205 PolarHBondContact O-N 3.41Å
202Y59.6Low52.9Low171 Ų171122.5 Ų122.567%0.67164%0.636SS**Hα-helixtrans-69.3-40175.3-80.5-74.1000112.5L198 T199 I205 G206L198-Y202 VanDerWaalsContact O-CD2 3.22Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.22Å; T199-Y202 PolarHBondContact O-N 3.18Å; Y202-I205 PolarHBondContact O-N 3.13Å; Y202-G206 PolarHBondContact O-N 2.64Å
203N59.9Low53.3Low102 Ų102121.4 Ų121.455%0.54563%0.629SS.*Hα-helixtrans-67.5-35.4177.5-82.6-10.9000112.9T199 R200 G206 L207T199-N203 WeakPolarHBondContact O-CB 3.37Å; T199-N203 PolarHBondContact O-N 3.33Å; R200-N203 PolarHBondContact O-N 3.28Å; N203-G206 PolarHBondContact O-N 3.09Å; N203-L207 WeakPolarHBondContact O-CB 3.39Å; N203-L207 PolarHBondContact O-N 3.25Å
204L58.6Low53.6Low128 Ų128123.9 Ų123.967%0.6763%0.631SS**Hα-helixtrans-68-34.4175-85.4161.6000112.8R200 A208R200-L204 WeakPolarHBondContact O-CB 3.33Å; R200-L204 WeakPolarHBondContact O-CG 3.2Å; R200-L204 PolarHBondContact O-N 2.86Å; L204-A208 PolarHBondContact O-N 3.32Å
205I63.1Low54.1Low110 Ų110122.1 Ų122.156%0.56463%0.625SS**Hα-helixtrans-73.8-37.4175.8-63.9167.4000110.5R201 Y202R201-I205 HydrophobicContact CG-CD1 4.37Å; R201-I205 WeakPolarHBondContact O-CD1 3.29Å; R201-I205 VanDerWaalsContact O-CG1 3.31Å; R201-I205 WeakPolarHBondContact O-CG1 3.41Å; R201-I205 PolarHBondContact O-N 3.41Å; Y202-I205 PolarHBondContact O-N 3.13Å
206G51.3Low54.6Low39 Ų39123.4 Ų123.440%0.40263%0.631SS.*Hα-helixtrans-67.8-38.3176.600000114.1Y202 N203 A209Y202-G206 PolarHBondContact O-N 2.64Å; N203-G206 PolarHBondContact O-N 3.09Å; G206-A209 PolarHBondContact O-N 2.69Å
207L43.7Very low54.2Low130 Ų130126.6 Ų126.668%0.68165%0.646SS**Hα-helixtrans-73.3-26.7-179.9-105.7140.2000113.8N203 A209N203-L207 WeakPolarHBondContact O-CB 3.39Å; N203-L207 PolarHBondContact O-N 3.25Å; L207-A209 VanDerWaalsContact C-N 3.33Å
208A50.6Low53.7Low76 Ų76131 Ų13163%0.62866%0.656SS**Hα-helixtrans-72.9-26.8175.200000112.7L204L204-A208 PolarHBondContact O-N 3.32Å
209A51.6Low53.9Low80 Ų80133.7 Ų133.766%0.66167%0.668SS**THydrogen-bonded Turntrans-80.7-13.6-178.800000114.2G206 L207G206-A209 PolarHBondContact O-N 2.69Å; L207-A209 VanDerWaalsContact C-N 3.33Å
210L46Very low53.4Low154 Ų154138.6 Ų138.681%0.80669%0.686SS**THydrogen-bonded Turntrans-108.410.3-178.4-87.9163.3000114.1
211R40.2Very low52.8Low230 Ų230136.8 Ų136.887%0.86869%0.693SS**  trans-122.125178.9-140.4179.6-172.6-133.61115.4
212Q50Low52.2Low249 Ų249133.5 Ų133.5100%1.16470%0.696SS**  trans-116.70152.4-68.5-165.4-300108.5

Retrieved 212 of 212 residues in 71.8 ms (Link to these results)

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