A0A061IM01_CRIGR Loading...

Suppressor of IKBKE 1

Physiological suppressor of IKK-epsilon and TBK1 that plays an inhibitory role in virus- and TLR3-triggered IRF3. Inhibits TLR3-mediated activation of interferon-stimulated response elements (ISRE) and the IFN-beta promoter. May act by disrupting the interactions of IKBKE or TBK1 with TICAM1/TRIF, IRF3 and RIGI. Does not inhibit NF-kappa-B activation pathways. Associates with the striatin-interacting phosphatase and kinase (STRIPAK) core complex, forming the extended (SIKE1:SLMAP)STRIPAK complex. The (SIKE1:SLMAP)STRIPAK complex dephosphorylates STK3 leading to the inhibition of Hippo signaling and the control of cell growth.

AlphaFold DB , UniProt , Accession A0A061IM01, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sike1, Length 207 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
1M49.4Very low79Confident245 Ų245117.3 Ų117.3100%1.20763%0.629SS**  090.30-66.8-159.1-72.100108.4C3M1-C3 PolarHBondContact O-N 3.19Å
2S52.7Low80.4Confident105 Ų105112.1 Ų112.173%0.73461%0.614SS**  trans-84.8106.2177.4490000108.8T4S2-T4 PolarHBondContact O-N 2.69Å
3C58.9Low81.4Confident92 Ų92113.8 Ų113.862%0.62261%0.612SS**  trans-69.4117.3170.2-155.20000107.7M1M1-C3 PolarHBondContact O-N 3.19Å
4T80.4Confident82.4Confident63 Ų63110.6 Ų110.639%0.38760%0.599SS.*  trans-84.9141.717549.90000108.9S2 E6 K7S2-T4 PolarHBondContact O-N 2.69Å; T4-E6 PolarHBondContact O-N 2.79Å; T4-K7 PolarHBondContact O-N 3.34Å
5I84.7Confident83.3Confident134 Ų134110.2 Ų110.269%0.68760%0.595SS**Hα-helixtrans-51.7-32.9179.7-70.4168.4000111.5K7 I8 L9I5-K7 PolarHBondContact O-N 2.74Å; I5-I8 PolarHBondContact O-N 2.97Å; I5-L9 HydrophobicContact CG2-CD1 3.9Å; I5-L9 PolarHBondContact O-N 3.43Å
6E85.6Confident84.1Confident152 Ų152109.3 Ų109.371%0.7159%0.589SS**Hα-helixtrans-59-41.3175.7-65.1178168.300113.4T4 L9 T10T4-E6 PolarHBondContact O-N 2.79Å; E6-L9 WeakPolarHBondContact O-CB 3.42Å; E6-L9 PolarHBondContact O-N 2.85Å; E6-T10 WeakPolarHBondContact O-CG2 3.26Å; E6-T10 PolarHBondContact O-N 3.3Å; E6-T10 PolarHBondContact O-OG1 2.97Å
7K88.8Confident84.8Confident123 Ų123109.8 Ų109.854%0.53559%0.587SS.*Hα-helixtrans-67.7-40178.4-70.7-178.7178.1-1780111.9T4 I5 L9 T10 D11T4-K7 PolarHBondContact O-N 3.34Å; I5-K7 PolarHBondContact O-N 2.74Å; K7-L9 VanDerWaalsContact C-N 3.29Å; K7-L9 PolarHBondContact O-N 3.47Å; K7-T10 WeakPolarHBondContact CA-OG1 3.3Å; K7-T10 PolarHBondContact O-N 3.17Å; K7-T10 PolarHBondContact O-OG1 3.36Å; K7-D11 WeakPolarHBondContact O-CB 3.3Å; K7-D11 PolarHBondContact O-N 2.92Å
8I90.5Very high85.5Confident100 Ų100112.6 Ų112.651%0.51359%0.588SS.*Hα-helixtrans-64.1-39.6176-59.2174.8000110.1I5 D11 A12I5-I8 PolarHBondContact O-N 2.97Å; I8-D11 PolarHBondContact O-N 3.33Å; I8-A12 VanDerWaalsContact O-CB 3.29Å; I8-A12 WeakPolarHBondContact O-CB 2.98Å; I8-A12 PolarHBondContact O-N 2.82Å
9L91.1Very high86.1Confident96 Ų96111.6 Ų111.650%0.50358%0.583SS.*Hα-helixtrans-65.9-39.7176-97154.4000112.8I5 E6 K7 K13I5-L9 HydrophobicContact CG2-CD1 3.9Å; I5-L9 PolarHBondContact O-N 3.43Å; E6-L9 WeakPolarHBondContact O-CB 3.42Å; E6-L9 PolarHBondContact O-N 2.85Å; K7-L9 VanDerWaalsContact C-N 3.29Å; K7-L9 PolarHBondContact O-N 3.47Å; L9-K13 VanDerWaalsContact O-CG 3.3Å; L9-K13 WeakPolarHBondContact O-CG 3.47Å; L9-K13 PolarHBondContact O-N 3.13Å; L9-K13 VanDerWaalsContact O-N 3.07Å
10T92.7Very high86.6Confident76 Ų76115.2 Ų115.247%0.46659%0.588SS.*Hα-helixtrans-67.8-41.6175.151.60000111.6E6 K7 A12 K13 T14E6-T10 WeakPolarHBondContact O-CG2 3.26Å; E6-T10 PolarHBondContact O-N 3.3Å; E6-T10 PolarHBondContact O-OG1 2.97Å; K7-T10 WeakPolarHBondContact CA-OG1 3.3Å; K7-T10 PolarHBondContact O-N 3.17Å; K7-T10 PolarHBondContact O-OG1 3.36Å; T10-A12 PolarHBondContact O-N 2.98Å; T10-K13 PolarHBondContact O-N 3.07Å; T10-T14 WeakPolarHBondContact O-CG2 3.19Å; T10-T14 PolarHBondContact O-N 3.39Å; T10-T14 PolarHBondContact O-OG1 3.31Å
11D94.6Very high87.1Confident104 Ų104116 Ų11656%0.55659%0.59SS**Hα-helixtrans-66.4-39.7178.6-67.6-4.9000111.1K7 I8 K13 T14 L15K7-D11 WeakPolarHBondContact O-CB 3.3Å; K7-D11 PolarHBondContact O-N 2.92Å; I8-D11 PolarHBondContact O-N 3.33Å; D11-K13 PolarHBondContact O-N 3.25Å; D11-T14 WeakPolarHBondContact CA-OG1 3.2Å; D11-T14 PolarHBondContact O-N 2.9Å; D11-T14 PolarHBondContact O-OG1 3.04Å; D11-L15 WeakPolarHBondContact O-CB 3.45Å; D11-L15 PolarHBondContact O-N 2.91Å
12A94.9Very high89.4Confident55 Ų55110.2 Ų110.246%0.45556%0.559SS.*Hα-helixtrans-64.5-39.1174.200000112.7I8 T10 L16I8-A12 VanDerWaalsContact O-CB 3.29Å; I8-A12 WeakPolarHBondContact O-CB 2.98Å; I8-A12 PolarHBondContact O-N 2.82Å; T10-A12 PolarHBondContact O-N 2.98Å; A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 3.04Å
13K94.1Very high91.5Very high135 Ų135110.1 Ų110.159%0.58755%0.551SS**Hα-helixtrans-65-47.5176-77.2176.3-178.5-1780111.8L9 T10 D11 L15 L16 E17L9-K13 VanDerWaalsContact O-CG 3.3Å; L9-K13 WeakPolarHBondContact O-CG 3.47Å; L9-K13 PolarHBondContact O-N 3.13Å; L9-K13 VanDerWaalsContact O-N 3.07Å; T10-K13 PolarHBondContact O-N 3.07Å; D11-K13 PolarHBondContact O-N 3.25Å; K13-L15 VanDerWaalsContact C-N 3.32Å; K13-L15 PolarHBondContact O-N 3.47Å; K13-L16 PolarHBondContact O-N 3.44Å; K13-L16 VanDerWaalsContact O-N 3.16Å; K13-E17 PolarHBondContact O-N 3.38Å
14T94.8Very high93.2Very high69 Ų69108.5 Ų108.542%0.42354%0.544SS..Hα-helixtrans-63.5-37.7177.655.80000112T10 D11 L16 E17 R18T10-T14 WeakPolarHBondContact O-CG2 3.19Å; T10-T14 PolarHBondContact O-N 3.39Å; T10-T14 PolarHBondContact O-OG1 3.31Å; D11-T14 WeakPolarHBondContact CA-OG1 3.2Å; D11-T14 PolarHBondContact O-N 2.9Å; D11-T14 PolarHBondContact O-OG1 3.04Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-E17 PolarHBondContact O-N 3.02Å; T14-R18 VanDerWaalsContact O-CG 3.26Å; T14-R18 WeakPolarHBondContact O-CG 3.42Å; T14-R18 PolarHBondContact O-N 2.99Å
15L96.4Very high94Very high104 Ų104108 Ų10855%0.54555%0.547SS..Hα-helixtrans-63.8-41173.8-17467.8000111.7D11 K13 R18 L19D11-L15 WeakPolarHBondContact O-CB 3.45Å; D11-L15 PolarHBondContact O-N 2.91Å; K13-L15 VanDerWaalsContact C-N 3.32Å; K13-L15 PolarHBondContact O-N 3.47Å; L15-R18 PolarHBondContact O-N 3.47Å; L15-L19 HydrophobicContact CG-CD1 4.3Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.36Å
16L96.6Very high94.6Very high95 Ų95104 Ų10450%0.49753%0.533SS..Hα-helixtrans-67.4-38.7179-170.3142.8000112.2A12 K13 T14 L19 R20A12-L16 WeakPolarHBondContact O-CB 3.32Å; A12-L16 PolarHBondContact O-N 3.04Å; K13-L16 PolarHBondContact O-N 3.44Å; K13-L16 VanDerWaalsContact O-N 3.16Å; T14-L16 VanDerWaalsContact C-N 3.35Å; L16-L19 PolarHBondContact O-N 2.97Å; L16-R20 PolarHBondContact O-N 3.01Å
17E95.8Very high95.1Very high118 Ų118103.5 Ų103.555%0.55153%0.531SS*.Hα-helixtrans-62-46.3172.1-76172178.500111.1K13 T14 L19 R20 E21K13-E17 PolarHBondContact O-N 3.38Å; T14-E17 PolarHBondContact O-N 3.02Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.24Å; E17-R20 WeakPolarHBondContact O-CB 3.32Å; E17-R20 PolarHBondContact O-N 3.38Å; E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.1Å
18R96.9Very high95.5Very high160 Ų160100.3 Ų100.360%0.60452%0.524SS*.Hα-helixtrans-62.6-39.4176.7-69.817480.5167.77.7112.6T14 L15 R20 E21 H22T14-R18 VanDerWaalsContact O-CG 3.26Å; T14-R18 WeakPolarHBondContact O-CG 3.42Å; T14-R18 PolarHBondContact O-N 2.99Å; L15-R18 PolarHBondContact O-N 3.47Å; R18-R20 VanDerWaalsContact C-N 3.35Å; R18-E21 PolarHBondContact O-N 3.33Å; R18-H22 WeakPolarHBondContact O-CB 3.37Å; R18-H22 PolarHBondContact O-CD2 3.36Å; R18-H22 PolarHBondContact O-N 2.96Å
19L96.9Very high95.8Very high95 Ų95100.8 Ų100.850%0.49753%0.527SS..Hα-helixtrans-63.6-41.6175.1-78.1170.2000111.4L15 L16 E17 H22 D23L15-L19 HydrophobicContact CG-CD1 4.3Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 2.97Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.24Å; L19-H22 PolarHBondContact O-N 3.18Å; L19-D23 PolarHBondContact O-N 3.45Å
20R96.7Very high96.1Very high183 Ų183100.5 Ų100.569%0.69153%0.529SS*.Hα-helixtrans-62.8-41.9174.8-82.9-177.3163.3174.4-4.2113L16 E17 R18 H22 D23 A24L16-R20 PolarHBondContact O-N 3.01Å; E17-R20 WeakPolarHBondContact O-CB 3.32Å; E17-R20 PolarHBondContact O-N 3.38Å; R18-R20 VanDerWaalsContact C-N 3.35Å; R20-H22 VanDerWaalsContact C-N 3.32Å; R20-D23 PolarHBondContact O-N 2.98Å; R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 3.13Å
21E96.7Very high96.3Very high132 Ų132102.4 Ų102.462%0.61754%0.536SS*.Hα-helixtrans-63.7-40.3175.5-71.3174.5176.700111.6E17 R18 A24 A25E17-E21 WeakPolarHBondContact O-CG 3.48Å; E17-E21 PolarHBondContact O-N 3.1Å; R18-E21 PolarHBondContact O-N 3.33Å; E21-A24 PolarHBondContact O-N 3.47Å; E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 2.92Å
22H97.3Very high96.4Very high123 Ų123103.1 Ų103.157%0.56954%0.537SS*.Hα-helixtrans-65.1-42.9175.5-80.8-138.2000112.2R18 L19 R20 A25 A26R18-H22 WeakPolarHBondContact O-CB 3.37Å; R18-H22 PolarHBondContact O-CD2 3.36Å; R18-H22 PolarHBondContact O-N 2.96Å; L19-H22 PolarHBondContact O-N 3.18Å; R20-H22 VanDerWaalsContact C-N 3.32Å; H22-A25 PolarHBondContact O-N 3.41Å; H22-A26 WeakPolarHBondContact O-CB 3.3Å; H22-A26 PolarHBondContact O-N 3.01Å
23D96.7Very high96.5Very high104 Ų104103.2 Ų103.256%0.55653%0.534SS*.Hα-helixtrans-62.1-43.9176.3-77.1-16.9000110.9L19 R20 A25 A26 E27L19-D23 PolarHBondContact O-N 3.45Å; R20-D23 PolarHBondContact O-N 2.98Å; D23-A25 PolarHBondContact O-N 3.1Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.91Å; D23-E27 PolarHBondContact O-N 2.84Å
24A95.8Very high96.5Very high58 Ų5898.8 Ų98.848%0.47952%0.522SS..Hα-helixtrans-63.2-39.5175.500000112.6R20 E21 A26 E27 S28R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 3.13Å; E21-A24 PolarHBondContact O-N 3.47Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A24-E27 PolarHBondContact O-N 3.14Å; A24-S28 PolarHBondContact O-N 3.11Å; A24-S28 VanDerWaalsContact O-N 3.1Å
25A96.6Very high96.6Very high53 Ų5397.7 Ų97.744%0.43852%0.52SS..Hα-helixtrans-66.3-37.5174.700000112E21 H22 D23 S28 L29E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 2.92Å; H22-A25 PolarHBondContact O-N 3.41Å; D23-A25 PolarHBondContact O-N 3.1Å; A25-S28 PolarHBondContact O-N 3.4Å; A25-L29 PolarHBondContact O-N 3.34Å
26A97.2Very high96.6Very high49 Ų4997.4 Ų97.441%0.40552%0.519SS..Hα-helixtrans-65.9-42.4175.900000111.6H22 D23 A24 S28 L29 V30H22-A26 WeakPolarHBondContact O-CB 3.3Å; H22-A26 PolarHBondContact O-N 3.01Å; D23-A26 WeakPolarHBondContact O-CB 3.37Å; D23-A26 PolarHBondContact O-N 2.91Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A26-S28 VanDerWaalsContact C-N 3.35Å; A26-S28 PolarHBondContact O-N 2.97Å; A26-L29 WeakPolarHBondContact O-CB 3.5Å; A26-L29 PolarHBondContact O-N 3.36Å; A26-V30 WeakPolarHBondContact O-CG2 3.44Å; A26-V30 PolarHBondContact O-N 3.36Å
27E96.5Very high96.5Very high141 Ų14199.5 Ų99.566%0.65953%0.526SS*.Hα-helixtrans-59.2-44.8173.2-74.2-175.4170.200111.6D23 A24 L29 V30 D31D23-E27 PolarHBondContact O-N 2.84Å; A24-E27 PolarHBondContact O-N 3.14Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.1Å; E27-V30 WeakPolarHBondContact O-CB 3.34Å; E27-V30 PolarHBondContact O-N 2.98Å; E27-V30 VanDerWaalsContact O-N 3.12Å; E27-D31 PolarHBondContact O-N 2.85Å
28S96.6Very high96.4Very high57 Ų57102.6 Ų102.640%0.39953%0.533SS..Hα-helixtrans-61.1-38.7175.7-170.60000112.8A24 A25 A26 D31 Q32A24-S28 PolarHBondContact O-N 3.11Å; A24-S28 VanDerWaalsContact O-N 3.1Å; A25-S28 PolarHBondContact O-N 3.4Å; A26-S28 VanDerWaalsContact C-N 3.35Å; A26-S28 PolarHBondContact O-N 2.97Å; S28-D31 PolarHBondContact O-N 3.45Å; S28-Q32 VanDerWaalsContact O-CG 3.28Å; S28-Q32 WeakPolarHBondContact O-CG 3.36Å; S28-Q32 PolarHBondContact O-N 2.98Å
29L97Very high96.2Very high110 Ų110103.2 Ų103.258%0.57654%0.535SS*.Hα-helixtrans-65.4-38.4174.5-83.2164.1000112.2A25 A26 E27 Q32 S33A25-L29 PolarHBondContact O-N 3.34Å; A26-L29 WeakPolarHBondContact O-CB 3.5Å; A26-L29 PolarHBondContact O-N 3.36Å; E27-L29 VanDerWaalsContact C-N 3.31Å; E27-L29 PolarHBondContact O-N 3.1Å; L29-Q32 PolarHBondContact O-N 3.5Å; L29-S33 WeakPolarHBondContact O-CB 3.33Å; L29-S33 PolarHBondContact O-N 3.03Å
30V97.2Very high95.7Very high90 Ų90102.2 Ų102.255%0.54553%0.532SS..Hα-helixtrans-61.4-47.3174.5171.40000110.1A26 E27 Q32 S33 A34A26-V30 WeakPolarHBondContact O-CG2 3.44Å; A26-V30 PolarHBondContact O-N 3.36Å; E27-V30 WeakPolarHBondContact O-CB 3.34Å; E27-V30 PolarHBondContact O-N 2.98Å; E27-V30 VanDerWaalsContact O-N 3.12Å; V30-Q32 PolarHBondContact O-N 3.2Å; V30-S33 PolarHBondContact O-N 3.44Å; V30-S33 VanDerWaalsContact O-N 3.16Å; V30-S33 PolarHBondContact O-OG 3.34Å; V30-A34 WeakPolarHBondContact O-CB 3.42Å; V30-A34 PolarHBondContact O-N 3.36Å
31D97.1Very high95.2Very high115 Ų11595.4 Ų95.462%0.61552%0.516SS*.Hα-helixtrans-60.7-43.9177.5-76.6-25.9000112.5E27 S28 S33 A34 A35E27-D31 PolarHBondContact O-N 2.85Å; S28-D31 PolarHBondContact O-N 3.45Å; D31-S33 VanDerWaalsContact C-N 3.34Å; D31-S33 PolarHBondContact O-N 3.26Å; D31-A34 PolarHBondContact O-N 3.33Å; D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 3.47Å
32Q97.1Very high94.6Very high120 Ų12091.8 Ų91.856%0.56151%0.508SS*.Hα-helixtrans-62.2-41.9175-71.5176.323.300111.6S28 L29 V30 A34 A35 L36S28-Q32 VanDerWaalsContact O-CG 3.28Å; S28-Q32 WeakPolarHBondContact O-CG 3.36Å; S28-Q32 PolarHBondContact O-N 2.98Å; L29-Q32 PolarHBondContact O-N 3.5Å; V30-Q32 PolarHBondContact O-N 3.2Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 2.87Å; Q32-A35 PolarHBondContact O-N 3.33Å; Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 2.94Å
33S95.9Very high93.5Very high57 Ų5792 Ų9240%0.39951%0.511SS..Hα-helixtrans-65.5-36.9178.2810000112.3L29 V30 D31 L36 H37L29-S33 WeakPolarHBondContact O-CB 3.33Å; L29-S33 PolarHBondContact O-N 3.03Å; V30-S33 PolarHBondContact O-N 3.44Å; V30-S33 VanDerWaalsContact O-N 3.16Å; V30-S33 PolarHBondContact O-OG 3.34Å; D31-S33 VanDerWaalsContact C-N 3.34Å; D31-S33 PolarHBondContact O-N 3.26Å; S33-L36 PolarHBondContact O-N 3.02Å; S33-H37 WeakPolarHBondContact O-CB 3.32Å; S33-H37 PolarHBondContact O-N 3.11Å; S33-H37 PolarHBondContact O-ND1 3Å
34A95.7Very high92.6Very high41 Ų4196.4 Ų96.434%0.33952%0.52SS..Hα-helixtrans-71.1-39.5176.400000111.7V30 D31 Q32 H37 R38V30-A34 WeakPolarHBondContact O-CB 3.42Å; V30-A34 PolarHBondContact O-N 3.36Å; D31-A34 PolarHBondContact O-N 3.33Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 2.87Å; A34-H37 PolarHBondContact O-N 3.34Å; A34-R38 WeakPolarHBondContact O-CG 3.47Å; A34-R38 PolarHBondContact O-N 3.22Å
35A95.8Very high91.6Very high47 Ų47100 Ų10039%0.38853%0.526SS..Hα-helixtrans-62.6-44.2172.400000111.5D31 Q32 R38 R39D31-A35 WeakPolarHBondContact O-CB 3.45Å; D31-A35 PolarHBondContact O-N 3.47Å; Q32-A35 PolarHBondContact O-N 3.33Å; A35-R38 PolarHBondContact O-N 3.42Å; A35-R39 PolarHBondContact O-N 3.21Å
36L95.7Very high90.2Very high97 Ų97101.1 Ų101.151%0.50854%0.536SS..Hα-helixtrans-63.7-44.8176.2-173.966.9000111.6Q32 S33 R38 R39 V40Q32-L36 WeakPolarHBondContact O-CB 3.46Å; Q32-L36 PolarHBondContact O-N 2.94Å; S33-L36 PolarHBondContact O-N 3.02Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.01Å; L36-R39 PolarHBondContact O-N 2.79Å; L36-R39 VanDerWaalsContact O-N 3.12Å; L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.91Å
37H94.9Very high88.4Confident139 Ų139101.3 Ų101.364%0.64454%0.543SS*.Hα-helixtrans-57.5-45.7175.9-9881.8000112.1S33 A34 R39 V40 A41S33-H37 WeakPolarHBondContact O-CB 3.32Å; S33-H37 PolarHBondContact O-N 3.11Å; S33-H37 PolarHBondContact O-ND1 3Å; A34-H37 PolarHBondContact O-N 3.34Å; H37-R39 VanDerWaalsContact C-N 3.31Å; H37-R39 PolarHBondContact O-N 3.36Å; H37-V40 PolarHBondContact O-N 2.97Å; H37-A41 WeakPolarHBondContact O-CB 3.47Å; H37-A41 PolarHBondContact O-N 3.25Å
38R94.6Very high86.6Confident184 Ų18498.3 Ų98.369%0.69454%0.542SS*.Hα-helixtrans-59.5-41.8175-76.1-174.7-73175.3-4111.8A34 A35 L36 A41 A42A34-R38 WeakPolarHBondContact O-CG 3.47Å; A34-R38 PolarHBondContact O-N 3.22Å; A35-R38 PolarHBondContact O-N 3.42Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.01Å; R38-A41 PolarHBondContact O-N 2.89Å; R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 2.81Å
39R91.5Very high84.3Confident172 Ų172101 Ų10165%0.64956%0.556SS**Hα-helixtrans-65.7-41.9177.9-157.9174.788.5171.75.9112.3A35 L36 H37 A42 M43A35-R39 PolarHBondContact O-N 3.21Å; L36-R39 PolarHBondContact O-N 2.79Å; L36-R39 VanDerWaalsContact O-N 3.12Å; H37-R39 VanDerWaalsContact C-N 3.31Å; H37-R39 PolarHBondContact O-N 3.36Å; R39-A42 PolarHBondContact O-N 3.33Å; R39-M43 WeakPolarHBondContact O-CG 3.49Å; R39-M43 PolarHBondContact O-N 3.43Å
40V88.1Confident82Confident74 Ų74102.6 Ų102.645%0.44856%0.564SS.*Hα-helixtrans-66.3-40.4176.6171.90000111.4L36 H37 M43 R44L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.91Å; H37-V40 PolarHBondContact O-N 2.97Å; V40-M43 PolarHBondContact O-N 2.93Å; V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 PolarHBondContact O-N 2.87Å
41A85.2Confident79.7Confident41 Ų41102.4 Ų102.434%0.33957%0.565SS.*Hα-helixtrans-61.4-48.2174.700000111.2H37 R38 M43 R44 E45H37-A41 WeakPolarHBondContact O-CB 3.47Å; H37-A41 PolarHBondContact O-N 3.25Å; R38-A41 PolarHBondContact O-N 2.89Å; A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 2.96Å; A41-R44 WeakPolarHBondContact O-CB 3.34Å; A41-R44 PolarHBondContact O-N 3.42Å; A41-R44 VanDerWaalsContact O-N 3.11Å; A41-E45 WeakPolarHBondContact O-CG 3.36Å; A41-E45 PolarHBondContact O-N 2.76Å
42A83.8Confident77.3Confident55 Ų55105.4 Ų105.446%0.45558%0.575SS.*Hα-helixtrans-59.6-40.917600000112.6R38 R39 E45 A46R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 2.81Å; R39-A42 PolarHBondContact O-N 3.33Å; A42-E45 PolarHBondContact O-N 3.26Å; A42-A46 WeakPolarHBondContact O-CB 3.48Å; A42-A46 PolarHBondContact O-N 2.8Å
43M74.7Confident74.6Confident129 Ų129107.8 Ų107.864%0.63559%0.586SS**Hα-helixtrans-65.4-37.6174.8-74.3179.765.700112.7R39 V40 A41 G47R39-M43 WeakPolarHBondContact O-CG 3.49Å; R39-M43 PolarHBondContact O-N 3.43Å; V40-M43 PolarHBondContact O-N 2.93Å; A41-M43 VanDerWaalsContact C-N 3.33Å; A41-M43 PolarHBondContact O-N 2.96Å; M43-G47 PolarHBondContact O-N 3.35Å
44R78.7Confident72.2Confident196 Ų196114.7 Ų114.774%0.7461%0.605SS**Hα-helixtrans-65.8-44.4175.9-179.3-173.9-70.7178-2.6111.1V40 A41 G47 A48V40-R44 WeakPolarHBondContact O-CB 3.34Å; V40-R44 PolarHBondContact O-N 2.87Å; A41-R44 WeakPolarHBondContact O-CB 3.34Å; A41-R44 PolarHBondContact O-N 3.42Å; A41-R44 VanDerWaalsContact O-N 3.11Å; R44-G47 PolarHBondContact O-N 3.25Å; R44-A48 PolarHBondContact O-N 3.12Å
45E73.9Confident69.7Low132 Ų132119.7 Ų119.762%0.61762%0.621SS**Hα-helixtrans-64.3-45.1177.2-71.7170.8-169.300110.9A41 A42 G47 A48 V49A41-E45 WeakPolarHBondContact O-CG 3.36Å; A41-E45 PolarHBondContact O-N 2.76Å; A42-E45 PolarHBondContact O-N 3.26Å; E45-G47 PolarHBondContact O-N 3.39Å; E45-A48 PolarHBondContact O-N 2.98Å; E45-V49 VanDerWaalsContact O-CG2 3.32Å; E45-V49 WeakPolarHBondContact O-CG2 3.08Å; E45-V49 PolarHBondContact O-N 3.36Å
46A67.1Low67.3Low77 Ų77126 Ų12664%0.63664%0.643SS**Hα-helixtrans-59.3-31.9174.300000113.2A42A42-A46 WeakPolarHBondContact O-CB 3.48Å; A42-A46 PolarHBondContact O-N 2.8Å
47G59.7Low64.8Low54 Ų54129 Ų12956%0.55766%0.659SS**Hα-helixtrans-78.5-20.2172.900000114.9M43 R44 E45M43-G47 PolarHBondContact O-N 3.35Å; R44-G47 PolarHBondContact O-N 3.25Å; E45-G47 PolarHBondContact O-N 3.39Å
48A57.7Low62.5Low78 Ų78124.9 Ų124.965%0.64565%0.649SS**Hα-helixtrans-91-23.5178.100000112.9R44 E45 L50R44-A48 PolarHBondContact O-N 3.12Å; E45-A48 PolarHBondContact O-N 2.98Å; A48-L50 PolarHBondContact O-N 3.33Å; A48-L50 VanDerWaalsContact O-N 3.12Å
49V49.7Very low60.5Low113 Ų113121.9 Ų121.969%0.68565%0.653SS**  trans-84.240.7174.9-172.60000110.9E45 P51E45-V49 VanDerWaalsContact O-CG2 3.32Å; E45-V49 WeakPolarHBondContact O-CG2 3.08Å; E45-V49 PolarHBondContact O-N 3.36Å; V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å
50L48.3Very low58.7Low144 Ų144119.6 Ų119.675%0.75465%0.654SS**  trans-76.2112.2159-100.6167000106.7A48 E52A48-L50 PolarHBondContact O-N 3.33Å; A48-L50 VanDerWaalsContact O-N 3.12Å; L50-E52 PolarHBondContact O-N 2.9Å; L50-E52 VanDerWaalsContact O-N 3.14Å
51P48.2Very low57.1Low85 Ų85120.3 Ų120.355%0.55266%0.658SS**  trans-65.3120.5-176.5-16.630.9000109.5V49 Q53V49-P51 VanDerWaalsContact O-CD 3.24Å; V49-P51 WeakPolarHBondContact O-CD 3.34Å; P51-Q53 PolarHBondContact O-N 3.23Å
52E46Very low55.5Low179 Ų179125.2 Ų125.284%0.83667%0.672SS**THydrogen-bonded Turntrans-608.4169.6-141.2165.8-165.200113.1L50L50-E52 PolarHBondContact O-N 2.9Å; L50-E52 VanDerWaalsContact O-N 3.14Å
53Q41.7Very low54.2Low169 Ų169125.2 Ų125.279%0.7967%0.665SS**THydrogen-bonded Turntrans-98.2-2.6-174.6-69.6-159.9-27.500115.5P51P51-Q53 PolarHBondContact O-N 3.23Å
54Y45.4Very low53.2Low202 Ų202122.2 Ų122.279%0.79265%0.65SS**  trans-12730.4177.3-64.5-77.2000113.4E56Y54-E56 VanDerWaalsContact C-N 3.33Å; Y54-E56 PolarHBondContact O-N 3.39Å
55Q42.8Very low52.3Low147 Ų147117.8 Ų117.869%0.68765%0.649SS**  trans-92.756.6177.1-162.8172.45300111.7
56E44.8Very low51.9Low180 Ų180118.8 Ų118.884%0.84165%0.651SS**SBendtrans-129.5-27163.8-118179.7172.300115.7Y54Y54-E56 VanDerWaalsContact C-N 3.33Å; Y54-E56 PolarHBondContact O-N 3.39Å
57D44Very low51.6Low159 Ų159120.5 Ų120.585%0.8564%0.642SS**SBendtrans-128.543.4-167.4-69.4-39.9000117
58A47.1Very low52.3Low52 Ų52125.7 Ų125.743%0.4365%0.649SS.*  trans-149.6105.116500000113.2D60 V61A58-D60 PolarHBondContact O-N 2.89Å; A58-V61 HydrophobicContact CB-CB 4.39Å; A58-V61 HydrophobicContact CB-CG2 3.68Å
59P52.1Low53Low121 Ų121126.7 Ų126.779%0.78665%0.649SS**THydrogen-bonded Turntrans-65.2-20173.726.5-32.8000112.9
60D53.8Low54.3Low124 Ų124128.6 Ų128.666%0.66365%0.65SS**THydrogen-bonded Turntrans-75.8-33.8-176.5-128.21.8000113.1A58 K62 D63 M64A58-D60 PolarHBondContact O-N 2.89Å; D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 3.15Å; D60-D63 PolarHBondContact O-N 3.04Å; D60-M64 WeakPolarHBondContact O-CG 3.43Å; D60-M64 PolarHBondContact O-N 3.34Å
61V53.5Low55.7Low89 Ų89125.8 Ų125.854%0.53964%0.635SS.*Hα-helixtrans-70.5-28.3-178.1-174.90000111.6A58 D63 M64A58-V61 HydrophobicContact CB-CB 4.39Å; A58-V61 HydrophobicContact CB-CG2 3.68Å; V61-D63 VanDerWaalsContact C-N 3.26Å; V61-D63 PolarHBondContact O-N 2.9Å; V61-M64 PolarHBondContact O-N 3.36Å
62K53.1Low57.2Low144 Ų144123.2 Ų123.263%0.62662%0.617SS**Hα-helixtrans-69.5-22172.2-101.1-178.9179.41720113D60 S65D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 3.15Å; K62-S65 PolarHBondContact O-OG 2.94Å; K62-S65 VanDerWaalsContact O-OG 3.05Å
63D55.9Low58.9Low55 Ų55118.9 Ų118.929%0.29460%0.599SS.*Hα-helixtrans-87.7-30.9177.9-138.938000111.3D60 V61 S65 K66 Y67D60-D63 PolarHBondContact O-N 3.04Å; V61-D63 VanDerWaalsContact C-N 3.26Å; V61-D63 PolarHBondContact O-N 2.9Å; D63-S65 VanDerWaalsContact C-N 3.26Å; D63-S65 PolarHBondContact O-N 3.14Å; D63-K66 WeakPolarHBondContact O-CB 3.15Å; D63-K66 PolarHBondContact O-N 3.43Å; D63-K66 WeakPolarHBondContact OD1-CD 3.23Å; D63-K66 WeakPolarHBondContact OD1-CE 3.34Å; D63-K66 IonicContact OD1-NZ 2.7Å; D63-K66 PolarHBondContact OD1-NZ 3.33Å; D63-Y67 WeakPolarHBondContact O-CD2 3.49Å; D63-Y67 VanDerWaalsContact O-CE2 3.28Å; D63-Y67 WeakPolarHBondContact O-CE2 3.34Å
64M54.5Low60.8Low67 Ų67114.1 Ų114.133%0.3358%0.584SS.*Hα-helixtrans-58.1-34.6175.3-65.6-178.681.900113.2D60 V61 K66 Y67 L72D60-M64 WeakPolarHBondContact O-CG 3.43Å; D60-M64 PolarHBondContact O-N 3.34Å; V61-M64 PolarHBondContact O-N 3.36Å; M64-K66 PolarHBondContact O-N 2.96Å; M64-K66 VanDerWaalsContact O-N 3.14Å; M64-Y67 PolarHBondContact O-N 2.97Å; M64-L72 HydrophobicContact CB-CD1 4.31Å; M64-L72 HydrophobicContact CB-CD2 3.99Å; M64-L72 HydrophobicContact CE-CD2 3.71Å; M64-L72 HydrophobicContact CG-CD2 4.03Å; M64-L72 WeakPolarHBondContact O-CD1 3.35Å
65S59Low62.8Low103 Ų103109.4 Ų109.472%0.7257%0.569SS**THydrogen-bonded Turntrans-67.6-10.1177.146.70000114.5K62 D63K62-S65 PolarHBondContact O-OG 2.94Å; K62-S65 VanDerWaalsContact O-OG 3.05Å; D63-S65 VanDerWaalsContact C-N 3.26Å; D63-S65 PolarHBondContact O-N 3.14Å
66K64.6Low65Low153 Ų153106.6 Ų106.667%0.66556%0.556SS**THydrogen-bonded Turntrans-90.2-18.1175.4-56.4177.3-168.6161.90113.3D63 M64D63-K66 WeakPolarHBondContact O-CB 3.15Å; D63-K66 PolarHBondContact O-N 3.43Å; D63-K66 WeakPolarHBondContact OD1-CD 3.23Å; D63-K66 WeakPolarHBondContact OD1-CE 3.34Å; D63-K66 IonicContact OD1-NZ 2.7Å; D63-K66 PolarHBondContact OD1-NZ 3.33Å; M64-K66 PolarHBondContact O-N 2.96Å; M64-K66 VanDerWaalsContact O-N 3.14Å
67Y61.4Low67.2Low113 Ų113102.2 Ų102.244%0.44354%0.539SS..SBendtrans-88.4140.4-178-65.2-83.3000110.6D63 M64 I71D63-Y67 WeakPolarHBondContact O-CD2 3.49Å; D63-Y67 VanDerWaalsContact O-CE2 3.28Å; D63-Y67 WeakPolarHBondContact O-CE2 3.34Å; M64-Y67 PolarHBondContact O-N 2.97Å; Y67-I71 HydrophobicContact CD1-CD1 4.44Å; Y67-I71 HydrophobicContact CD1-CG2 4.22Å
68K74.6Confident69.6Low162 Ų16297 Ų9770%0.70451%0.513SS*.  trans-58.2138.4173-67.4-179.8179.4177.30108.4H70 I71K68-H70 PolarHBondContact O-N 3.24Å; K68-I71 HydrophobicContact CB-CD1 4.33Å; K68-I71 HydrophobicContact CB-CG1 4.48Å; K68-I71 WeakPolarHBondContact O-CB 3.38Å; K68-I71 PolarHBondContact O-N 3.38Å
69P72.7Confident71.9Confident100 Ų10099.7 Ų99.765%0.64952%0.516SS*.Hα-helixtrans-50.2-31.5-176.5-29.533.4000114.6I71 L72 L73P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.39Å; P69-L72 PolarHBondContact O-N 2.89Å; P69-L73 WeakPolarHBondContact O-CG 3.34Å; P69-L73 PolarHBondContact O-N 2.92Å; P69-L73 VanDerWaalsContact O-N 3.1Å
70H76.1Confident73.9Confident152 Ų15297.8 Ų97.870%0.70450%0.499SS*.Hα-helixtrans-64.8-31.7177.4-169.358.4000114.1K68 S74K68-H70 PolarHBondContact O-N 3.24Å; H70-S74 WeakPolarHBondContact O-CB 3.47Å; H70-S74 PolarHBondContact O-N 2.93Å
71I78.5Confident75.9Confident85 Ų8598.8 Ų98.844%0.43649%0.493SS..Hα-helixtrans-72.6-45.5179.3-61.3173.6000109.9Y67 K68 P69 L73 S74 Q75Y67-I71 HydrophobicContact CD1-CD1 4.44Å; Y67-I71 HydrophobicContact CD1-CG2 4.22Å; K68-I71 HydrophobicContact CB-CD1 4.33Å; K68-I71 HydrophobicContact CB-CG1 4.48Å; K68-I71 WeakPolarHBondContact O-CB 3.38Å; K68-I71 PolarHBondContact O-N 3.38Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 3.39Å; I71-L73 PolarHBondContact O-N 3.35Å; I71-S74 WeakPolarHBondContact O-CB 3.5Å; I71-S74 PolarHBondContact O-N 2.85Å; I71-S74 VanDerWaalsContact O-N 3.15Å; I71-Q75 PolarHBondContact O-N 3.34Å
72L80.3Confident78Confident31 Ų3199 Ų9916%0.16249%0.491CS..Hα-helixtrans-60.1-47.1176.4-64.3175.8000111.1M64 P69 S74 Q75 E76M64-L72 HydrophobicContact CB-CD1 4.31Å; M64-L72 HydrophobicContact CB-CD2 3.99Å; M64-L72 HydrophobicContact CE-CD2 3.71Å; M64-L72 HydrophobicContact CG-CD2 4.03Å; M64-L72 WeakPolarHBondContact O-CD1 3.35Å; P69-L72 PolarHBondContact O-N 2.89Å; L72-S74 VanDerWaalsContact C-N 3.28Å; L72-S74 PolarHBondContact O-N 3.31Å; L72-Q75 WeakPolarHBondContact O-CB 3.48Å; L72-Q75 PolarHBondContact O-N 2.91Å; L72-Q75 VanDerWaalsContact O-N 3.1Å; L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.32Å
73L82Confident80.1Confident89 Ų8996.7 Ų96.747%0.46649%0.485SS..Hα-helixtrans-59.3-38.8175.3-72.4169.1000112.1P69 I71 Q75 N77P69-L73 WeakPolarHBondContact O-CG 3.34Å; P69-L73 PolarHBondContact O-N 2.92Å; P69-L73 VanDerWaalsContact O-N 3.1Å; I71-L73 PolarHBondContact O-N 3.35Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; L73-N77 VanDerWaalsContact O-CB 3.23Å; L73-N77 WeakPolarHBondContact O-CB 3.37Å; L73-N77 PolarHBondContact O-N 3.41Å; L73-N77 PolarHBondContact O-ND2 2.96Å
74S81.1Confident82.1Confident68 Ų6898.8 Ų98.848%0.47649%0.493SS..Hα-helixtrans-66.6-36.7176.7-173.80000112.4H70 I71 L72 T78H70-S74 WeakPolarHBondContact O-CB 3.47Å; H70-S74 PolarHBondContact O-N 2.93Å; I71-S74 WeakPolarHBondContact O-CB 3.5Å; I71-S74 PolarHBondContact O-N 2.85Å; I71-S74 VanDerWaalsContact O-N 3.15Å; L72-S74 VanDerWaalsContact C-N 3.28Å; L72-S74 PolarHBondContact O-N 3.31Å; S74-T78 PolarHBondContact O-N 2.86Å; S74-T78 PolarHBondContact O-OG1 3Å
75Q87.4Confident84.2Confident103 Ų103100.1 Ų100.148%0.48150%0.498SS..Hα-helixtrans-69.8-49.2177.4-174.3178.910.300111.1I71 L72 L73 N77 T78 Q79I71-Q75 PolarHBondContact O-N 3.34Å; L72-Q75 WeakPolarHBondContact O-CB 3.48Å; L72-Q75 PolarHBondContact O-N 2.91Å; L72-Q75 VanDerWaalsContact O-N 3.1Å; L73-Q75 VanDerWaalsContact C-N 3.35Å; Q75-N77 VanDerWaalsContact C-N 3.34Å; Q75-N77 PolarHBondContact O-N 3.48Å; Q75-T78 WeakPolarHBondContact O-CA 3.33Å; Q75-T78 WeakPolarHBondContact O-CB 3.46Å; Q75-T78 PolarHBondContact O-N 3.18Å; Q75-Q79 PolarHBondContact O-N 3.41Å
76E88.5Confident86Confident88 Ų88100.4 Ų100.441%0.41149%0.488SS..Hα-helixtrans-58.7-44.5176-71.3176.817100111.4L72 T78 Q79 I80L72-E76 WeakPolarHBondContact O-CG 3.45Å; L72-E76 PolarHBondContact O-N 3.32Å; E76-T78 PolarHBondContact O-N 2.8Å; E76-Q79 PolarHBondContact O-N 2.89Å; E76-I80 WeakPolarHBondContact O-CB 3.3Å; E76-I80 VanDerWaalsContact O-CG1 3.24Å; E76-I80 WeakPolarHBondContact O-CG1 3.24Å; E76-I80 PolarHBondContact O-N 2.97Å
77N91.9Very high87.6Confident89 Ų8997.1 Ų97.148%0.47648%0.478SS..Hα-helixtrans-63-26.1175.4-78.7-50.1000113.1L73 Q75 R81L73-N77 VanDerWaalsContact O-CB 3.23Å; L73-N77 WeakPolarHBondContact O-CB 3.37Å; L73-N77 PolarHBondContact O-N 3.41Å; L73-N77 PolarHBondContact O-ND2 2.96Å; Q75-N77 VanDerWaalsContact C-N 3.34Å; Q75-N77 PolarHBondContact O-N 3.48Å; N77-R81 VanDerWaalsContact O-CG 3.27Å; N77-R81 WeakPolarHBondContact O-CG 3.46Å; N77-R81 PolarHBondContact O-N 3.36Å; N77-R81 PolarHBondContact O-NE 2.9Å
78T92.8Very high89.4Confident50 Ų5098.4 Ų98.431%0.30748%0.482SS..Hα-helixtrans-75.8-47.7174.4-57.10000110.4S74 Q75 E76 I80 R81 D82S74-T78 PolarHBondContact O-N 2.86Å; S74-T78 PolarHBondContact O-OG1 3Å; Q75-T78 WeakPolarHBondContact O-CA 3.33Å; Q75-T78 WeakPolarHBondContact O-CB 3.46Å; Q75-T78 PolarHBondContact O-N 3.18Å; E76-T78 PolarHBondContact O-N 2.8Å; T78-I80 VanDerWaalsContact C-N 3.29Å; T78-I80 PolarHBondContact O-N 3.48Å; T78-R81 WeakPolarHBondContact O-CB 3.33Å; T78-R81 PolarHBondContact O-N 3.11Å; T78-R81 PolarHBondContact OG1-NH2 3.48Å; T78-R81 VanDerWaalsContact OG1-NH2 3.07Å; T78-D82 VanDerWaalsContact O-CG 3.29Å; T78-D82 PolarHBondContact O-N 2.84Å
79Q95.4Very high90.5Very high108 Ų10896 Ų9651%0.50547%0.474SS..Hα-helixtrans-57.7-41.5174.6-66.9178.29.100112.3Q75 E76 R81 D82 L83Q75-Q79 PolarHBondContact O-N 3.41Å; E76-Q79 PolarHBondContact O-N 2.89Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 3.06Å; Q79-D82 PolarHBondContact O-N 3.23Å; Q79-L83 WeakPolarHBondContact O-CB 3.37Å; Q79-L83 WeakPolarHBondContact O-CG 3.34Å; Q79-L83 PolarHBondContact O-N 2.92Å
80I95.3Very high91.7Very high80 Ų8096 Ų9641%0.4147%0.467SS..Hα-helixtrans-61.2-43.1175.7-69.8165.4000110.7E76 T78 Q84E76-I80 WeakPolarHBondContact O-CB 3.3Å; E76-I80 VanDerWaalsContact O-CG1 3.24Å; E76-I80 WeakPolarHBondContact O-CG1 3.24Å; E76-I80 PolarHBondContact O-N 2.97Å; T78-I80 VanDerWaalsContact C-N 3.29Å; T78-I80 PolarHBondContact O-N 3.48Å; I80-Q84 HydrophobicContact CG2-CG 4.39Å; I80-Q84 WeakPolarHBondContact O-CB 3.31Å; I80-Q84 WeakPolarHBondContact O-CG 3.35Å; I80-Q84 PolarHBondContact O-N 3.21Å
81R96.5Very high92.8Very high146 Ų14697.4 Ų97.455%0.55147%0.467SS*.Hα-helixtrans-65.5-41178.3-77.6-178.6-62171.55.2112.1N77 T78 Q79 Q84 Q85N77-R81 VanDerWaalsContact O-CG 3.27Å; N77-R81 WeakPolarHBondContact O-CG 3.46Å; N77-R81 PolarHBondContact O-N 3.36Å; N77-R81 PolarHBondContact O-NE 2.9Å; T78-R81 WeakPolarHBondContact O-CB 3.33Å; T78-R81 PolarHBondContact O-N 3.11Å; T78-R81 PolarHBondContact OG1-NH2 3.48Å; T78-R81 VanDerWaalsContact OG1-NH2 3.07Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 3.06Å; R81-Q84 PolarHBondContact O-N 3.43Å; R81-Q85 WeakPolarHBondContact O-CB 3.41Å; R81-Q85 PolarHBondContact O-N 3.29Å
82D97.1Very high93.7Very high92 Ų9296.9 Ų96.949%0.49247%0.467SS..Hα-helixtrans-64.7-47.7178.8-63.3-17.3000110.4T78 Q79 Q84 Q85 E86T78-D82 VanDerWaalsContact O-CG 3.29Å; T78-D82 PolarHBondContact O-N 2.84Å; Q79-D82 PolarHBondContact O-N 3.23Å; D82-Q84 VanDerWaalsContact C-N 3.31Å; D82-Q84 PolarHBondContact O-N 3.41Å; D82-Q85 WeakPolarHBondContact O-CA 3.43Å; D82-Q85 WeakPolarHBondContact O-CB 3.46Å; D82-Q85 PolarHBondContact O-N 2.99Å; D82-E86 PolarHBondContact O-N 3.26Å
83L97.7Very high94.6Very high96 Ų9697.7 Ų97.750%0.50348%0.475SS..Hα-helixtrans-61.5-38.7174.9-74.5172.2000112.4Q79 Q85 E86 N87Q79-L83 WeakPolarHBondContact O-CB 3.37Å; Q79-L83 WeakPolarHBondContact O-CG 3.34Å; Q79-L83 PolarHBondContact O-N 2.92Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; L83-E86 PolarHBondContact O-N 2.88Å; L83-N87 WeakPolarHBondContact O-CB 3.2Å; L83-N87 PolarHBondContact O-N 2.88Å; L83-N87 PolarHBondContact O-ND2 3.48Å
84Q97.3Very high95.4Very high100 Ų10097.6 Ų97.647%0.46748%0.475SS..Hα-helixtrans-66.6-33.9175-76.5174.9-5.200112I80 R81 D82 R88I80-Q84 HydrophobicContact CG2-CG 4.39Å; I80-Q84 WeakPolarHBondContact O-CB 3.31Å; I80-Q84 WeakPolarHBondContact O-CG 3.35Å; I80-Q84 PolarHBondContact O-N 3.21Å; R81-Q84 PolarHBondContact O-N 3.43Å; D82-Q84 VanDerWaalsContact C-N 3.31Å; D82-Q84 PolarHBondContact O-N 3.41Å; Q84-R88 WeakPolarHBondContact O-CG 3.4Å; Q84-R88 PolarHBondContact O-N 3.22Å; Q84-R88 VanDerWaalsContact O-N 3.17Å; Q84-R88 PolarHBondContact O-NH1 2.91Å
85Q97.7Very high96.2Very high94 Ų94100 Ų10044%0.43948%0.479SS..Hα-helixtrans-68.9-48.2174.2178.3170.5-1600111.3R81 D82 L83 N87 R88 E89R81-Q85 WeakPolarHBondContact O-CB 3.41Å; R81-Q85 PolarHBondContact O-N 3.29Å; D82-Q85 WeakPolarHBondContact O-CA 3.43Å; D82-Q85 WeakPolarHBondContact O-CB 3.46Å; D82-Q85 PolarHBondContact O-N 2.99Å; L83-Q85 VanDerWaalsContact C-N 3.3Å; Q85-N87 VanDerWaalsContact C-N 3.31Å; Q85-N87 PolarHBondContact O-N 3.11Å; Q85-R88 VanDerWaalsContact CA-NH2 3.35Å; Q85-R88 WeakPolarHBondContact O-CA 3.43Å; Q85-R88 WeakPolarHBondContact O-CB 3.48Å; Q85-R88 PolarHBondContact O-N 3.35Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.46Å; Q85-E89 PolarHBondContact NE2-OE1 3.4Å; Q85-E89 PolarHBondContact O-N 2.89Å
86E98Very high96.7Very high109 Ų109101 Ų10151%0.50948%0.483SS..Hα-helixtrans-58.3-44.2176.8-173.9179.9178.300111.1D82 L83 R88 E89 L90D82-E86 PolarHBondContact O-N 3.26Å; L83-E86 PolarHBondContact O-N 2.88Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.37Å; E86-E89 PolarHBondContact O-N 3.37Å; E86-E89 VanDerWaalsContact O-N 3.15Å; E86-L90 HydrophobicContact CG-CD1 4.29Å; E86-L90 HydrophobicContact CG-CG 4.48Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.46Å
87N98.1Very high97.2Very high85 Ų85102.5 Ų102.546%0.45549%0.49SS..Hα-helixtrans-58.9-41174.6-84.5-69000112.2L83 Q85 L90 W91L83-N87 WeakPolarHBondContact O-CB 3.2Å; L83-N87 PolarHBondContact O-N 2.88Å; L83-N87 PolarHBondContact O-ND2 3.48Å; Q85-N87 VanDerWaalsContact C-N 3.31Å; Q85-N87 PolarHBondContact O-N 3.11Å; N87-L90 PolarHBondContact O-N 2.82Å; N87-W91 PolarHBondContact O-N 3.43Å
88R98.1Very high97.5Very high139 Ų139103.9 Ų103.953%0.52549%0.494SS..Hα-helixtrans-63.3-43.4175.4-75.7-174.1-63.2-89.72.3111.6Q84 Q85 E86 L90 W91 V92Q84-R88 WeakPolarHBondContact O-CG 3.4Å; Q84-R88 PolarHBondContact O-N 3.22Å; Q84-R88 VanDerWaalsContact O-N 3.17Å; Q84-R88 PolarHBondContact O-NH1 2.91Å; Q85-R88 VanDerWaalsContact CA-NH2 3.35Å; Q85-R88 WeakPolarHBondContact O-CA 3.43Å; Q85-R88 WeakPolarHBondContact O-CB 3.48Å; Q85-R88 PolarHBondContact O-N 3.35Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.37Å; R88-L90 VanDerWaalsContact C-N 3.35Å; R88-W91 PolarHBondContact O-N 3.03Å; R88-V92 WeakPolarHBondContact O-CG2 3.46Å; R88-V92 PolarHBondContact O-N 3.44Å
89E98.1Very high97.8Very high113 Ų113106 Ų10653%0.52850%0.503SS..Hα-helixtrans-64.5-39.4178.1-70174.5-16600111.7Q85 E86 V92 S93Q85-E89 WeakPolarHBondContact CG-OE1 3.46Å; Q85-E89 PolarHBondContact NE2-OE1 3.4Å; Q85-E89 PolarHBondContact O-N 2.89Å; E86-E89 PolarHBondContact O-N 3.37Å; E86-E89 VanDerWaalsContact O-N 3.15Å; E89-V92 PolarHBondContact O-N 2.92Å; E89-S93 WeakPolarHBondContact O-CB 3.22Å; E89-S93 PolarHBondContact O-N 2.94Å
90L98.5Very high97.9Very high98 Ų98103.2 Ų103.251%0.51350%0.498SS..Hα-helixtrans-62.9-41.6173.4-71.2173.5000112.2E86 N87 R88 S93 L94E86-L90 HydrophobicContact CG-CD1 4.29Å; E86-L90 HydrophobicContact CG-CG 4.48Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.46Å; N87-L90 PolarHBondContact O-N 2.82Å; R88-L90 VanDerWaalsContact C-N 3.35Å; L90-S93 PolarHBondContact O-N 3.01Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.23Å
91W98.5Very high98.1Very high183 Ų183104.6 Ų104.669%0.69351%0.506SS*.Hα-helixtrans-61.3-47175.2-88.7108.6000112.1N87 R88 L94 E95N87-W91 PolarHBondContact O-N 3.43Å; R88-W91 PolarHBondContact O-N 3.03Å; W91-L94 PolarHBondContact O-N 2.87Å; W91-E95 PolarHBondContact O-N 3.49Å
92V98.4Very high98.2Very high74 Ų74104.2 Ų104.245%0.44851%0.511SS..Hα-helixtrans-62.2-46.3177.1172.60000110.8R88 E89 L94 E95 E96R88-V92 WeakPolarHBondContact O-CG2 3.46Å; R88-V92 PolarHBondContact O-N 3.44Å; E89-V92 PolarHBondContact O-N 2.92Å; V92-L94 VanDerWaalsContact C-N 3.29Å; V92-L94 PolarHBondContact O-N 3.43Å; V92-E95 WeakPolarHBondContact O-CB 3.39Å; V92-E95 PolarHBondContact O-N 3.42Å; V92-E96 HydrophobicContact CG1-CG 4.4Å; V92-E96 WeakPolarHBondContact O-CG 3.32Å; V92-E96 PolarHBondContact O-N 3.49Å
93S98.2Very high98.2Very high47 Ų47104.6 Ų104.633%0.32951%0.512SS..Hα-helixtrans-59.6-40.6177.6-178.30000111.9E89 L90 E96 H97E89-S93 WeakPolarHBondContact O-CB 3.22Å; E89-S93 PolarHBondContact O-N 2.94Å; L90-S93 PolarHBondContact O-N 3.01Å; S93-E96 PolarHBondContact O-N 3.34Å; S93-H97 PolarHBondContact O-N 3.49Å; S93-H97 PolarHBondContact O-ND1 2.73Å
94L98.5Very high98.3Very high88 Ų88105.1 Ų105.146%0.46151%0.514SS..Hα-helixtrans-63.9-42.1177-175.666000112L90 W91 V92 H97 Q98L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 PolarHBondContact O-N 3.23Å; W91-L94 PolarHBondContact O-N 2.87Å; V92-L94 VanDerWaalsContact C-N 3.29Å; V92-L94 PolarHBondContact O-N 3.43Å; L94-H97 PolarHBondContact O-N 2.97Å; L94-Q98 WeakPolarHBondContact O-CG 3.33Å; L94-Q98 PolarHBondContact O-N 2.88Å
95E98.4Very high98.3Very high119 Ų119104.2 Ų104.256%0.55651%0.511SS*.Hα-helixtrans-62.3-48.3175.6-172.4172.5-164.500110.9W91 V92 H97 Q98 D99W91-E95 PolarHBondContact O-N 3.49Å; V92-E95 WeakPolarHBondContact O-CB 3.39Å; V92-E95 PolarHBondContact O-N 3.42Å; E95-H97 VanDerWaalsContact C-N 3.3Å; E95-H97 PolarHBondContact O-N 3.26Å; E95-Q98 WeakPolarHBondContact O-CB 3.45Å; E95-Q98 PolarHBondContact O-N 3.07Å; E95-D99 PolarHBondContact O-N 2.87Å
96E98.3Very high98.4Very high123 Ų123101.9 Ų101.958%0.57551%0.505SS*.Hα-helixtrans-59.7-38.2177-70.7-18016300112.6V92 S93 A100V92-E96 HydrophobicContact CG1-CG 4.4Å; V92-E96 WeakPolarHBondContact O-CG 3.32Å; V92-E96 PolarHBondContact O-N 3.49Å; S93-E96 PolarHBondContact O-N 3.34Å; E96-A100 WeakPolarHBondContact O-CB 3.4Å; E96-A100 PolarHBondContact O-N 3.01Å
97H98.6Very high98.4Very high119 Ų119102.9 Ų102.955%0.55151%0.508SS*.Hα-helixtrans-67.6-38.1175-78.969.2000112.2S93 L94 E95 L101S93-H97 PolarHBondContact O-N 3.49Å; S93-H97 PolarHBondContact O-ND1 2.73Å; L94-H97 PolarHBondContact O-N 2.97Å; E95-H97 VanDerWaalsContact C-N 3.3Å; E95-H97 PolarHBondContact O-N 3.26Å; H97-L101 WeakPolarHBondContact O-CB 3.42Å; H97-L101 WeakPolarHBondContact O-CG 3.36Å; H97-L101 PolarHBondContact O-N 2.94Å
98Q98.3Very high98.4Very high119 Ų119105 Ų10556%0.55651%0.511SS*.Hα-helixtrans-64-46175-74.4177.823.900111L94 E95 A100 L101 E102L94-Q98 WeakPolarHBondContact O-CG 3.33Å; L94-Q98 PolarHBondContact O-N 2.88Å; E95-Q98 WeakPolarHBondContact O-CB 3.45Å; E95-Q98 PolarHBondContact O-N 3.07Å; Q98-A100 PolarHBondContact O-N 2.96Å; Q98-L101 PolarHBondContact O-N 3.06Å; Q98-E102 PolarHBondContact O-N 3.39Å
99D98.4Very high98.3Very high94 Ų94104.9 Ų104.950%0.50351%0.51SS..Hα-helixtrans-61-43.7177-73.8-10.2000111.9E95 L101 E102 L103E95-D99 PolarHBondContact O-N 2.87Å; D99-L101 PolarHBondContact O-N 3.18Å; D99-E102 PolarHBondContact O-N 3.17Å; D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.07Å
100A98.6Very high98.3Very high49 Ų49105.8 Ų105.841%0.40551%0.512SS..Hα-helixtrans-61.6-44.5176.500000111.7E96 Q98 L103 I104E96-A100 WeakPolarHBondContact O-CB 3.4Å; E96-A100 PolarHBondContact O-N 3.01Å; Q98-A100 PolarHBondContact O-N 2.96Å; A100-L103 PolarHBondContact O-N 3.41Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.35Å; A100-I104 PolarHBondContact O-N 3.19Å
101L98.7Very high98.1Very high110 Ų110107.4 Ų107.458%0.57652%0.517SS*.Hα-helixtrans-63.9-43.4176.5-80.5169.2000111.8H97 Q98 D99 L103 I104 M105H97-L101 WeakPolarHBondContact O-CB 3.42Å; H97-L101 WeakPolarHBondContact O-CG 3.36Å; H97-L101 PolarHBondContact O-N 2.94Å; Q98-L101 PolarHBondContact O-N 3.06Å; D99-L101 PolarHBondContact O-N 3.18Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3.12Å; L101-I104 PolarHBondContact O-N 3.29Å; L101-M105 WeakPolarHBondContact O-CB 3.48Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.48Å
102E98.4Very high97.7Very high137 Ų137102.1 Ų102.164%0.6450%0.501SS*.Hα-helixtrans-59.2-45.6176.6-175.6177.1168.100110.8Q98 D99 M105 S106Q98-E102 PolarHBondContact O-N 3.39Å; D99-E102 PolarHBondContact O-N 3.17Å; E102-M105 PolarHBondContact O-N 2.76Å; E102-S106 WeakPolarHBondContact O-CB 3.26Å; E102-S106 PolarHBondContact O-N 2.95Å
103L98.6Very high97.3Very high101 Ų101103.5 Ų103.553%0.52951%0.505SS..Hα-helixtrans-61.4-46.9178-179.762000112D99 A100 L101 S106 K107D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.07Å; A100-L103 PolarHBondContact O-N 3.41Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 3.12Å; L103-S106 PolarHBondContact O-N 3.22Å; L103-K107 WeakPolarHBondContact O-CG 3.47Å; L103-K107 PolarHBondContact O-N 3.43Å
104I98.5Very high96.8Very high106 Ų106107.6 Ų107.654%0.54452%0.519SS..Hα-helixtrans-61.2-48.5178.2-70166.1000109.9A100 L101 S106 K107 Y108A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.35Å; A100-I104 PolarHBondContact O-N 3.19Å; L101-I104 PolarHBondContact O-N 3.29Å; I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.39Å; I104-K107 PolarHBondContact O-N 3.38Å; I104-Y108 WeakPolarHBondContact O-CB 3.22Å; I104-Y108 PolarHBondContact O-N 2.87Å
105M98.4Very high96.2Very high82 Ų82107.3 Ų107.340%0.40452%0.518SS..Hα-helixtrans-66.1-36-179.3-71.6-63.1-68.700112L101 E102 Y108 R109L101-M105 WeakPolarHBondContact O-CB 3.48Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.48Å; E102-M105 PolarHBondContact O-N 2.76Å; M105-Y108 PolarHBondContact O-N 2.97Å; M105-R109 WeakPolarHBondContact O-CB 3.42Å; M105-R109 VanDerWaalsContact O-CG 3.26Å; M105-R109 WeakPolarHBondContact O-CG 3.38Å; M105-R109 PolarHBondContact O-N 3.39Å; M105-R109 PolarHBondContact O-NH1 2.82Å
106S98.2Very high95.3Very high44 Ų44107.9 Ų107.931%0.30852%0.522SS..Hα-helixtrans-62.5-46172.6-175.20000111.5E102 L103 I104 R109 K110E102-S106 WeakPolarHBondContact O-CB 3.26Å; E102-S106 PolarHBondContact O-N 2.95Å; L103-S106 PolarHBondContact O-N 3.22Å; I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.39Å; S106-R109 PolarHBondContact O-N 2.8Å; S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.97Å; S106-K110 VanDerWaalsContact O-N 3.07Å
107K98.1Very high94.5Very high131 Ų131108.4 Ų108.457%0.5753%0.527SS*.Hα-helixtrans-63.8-43.9175-74.4178.7-175-75.50112.1L103 I104 R109 K110 Q111L103-K107 WeakPolarHBondContact O-CG 3.47Å; L103-K107 PolarHBondContact O-N 3.43Å; I104-K107 PolarHBondContact O-N 3.38Å; K107-R109 PolarHBondContact O-N 3.47Å; K107-K110 PolarHBondContact O-N 3.44Å; K107-Q111 WeakPolarHBondContact O-CB 3.38Å; K107-Q111 PolarHBondContact O-N 2.99Å
108Y98.2Very high93.4Very high130 Ų130106.8 Ų106.851%0.5153%0.534SS..Hα-helixtrans-58.1-49.2177.3176.9-94.4000111.4I104 M105 K110 Q111 M112I104-Y108 WeakPolarHBondContact O-CB 3.22Å; I104-Y108 PolarHBondContact O-N 2.87Å; M105-Y108 PolarHBondContact O-N 2.97Å; Y108-K110 VanDerWaalsContact C-N 3.35Å; Y108-K110 PolarHBondContact O-N 3.49Å; Y108-Q111 PolarHBondContact O-N 3.25Å; Y108-M112 HydrophobicContact CE1-CE 4.23Å; Y108-M112 HydrophobicContact CE2-CE 4.27Å; Y108-M112 WeakPolarHBondContact O-CB 3.08Å; Y108-M112 PolarHBondContact O-N 3.33Å; Y108-M112 VanDerWaalsContact OH-CE 3.22Å; Y108-M112 WeakPolarHBondContact OH-CE 3.48Å
109R97.5Very high91.7Very high136 Ų136106.6 Ų106.651%0.51353%0.532SS..Hα-helixtrans-59.3-45177.1-72177.5-167107.3-2.6111.6M105 S106 K107 Q111 M112 L113M105-R109 WeakPolarHBondContact O-CB 3.42Å; M105-R109 VanDerWaalsContact O-CG 3.26Å; M105-R109 WeakPolarHBondContact O-CG 3.38Å; M105-R109 PolarHBondContact O-N 3.39Å; M105-R109 PolarHBondContact O-NH1 2.82Å; S106-R109 PolarHBondContact O-N 2.8Å; K107-R109 PolarHBondContact O-N 3.47Å; R109-Q111 PolarHBondContact O-N 3.36Å; R109-M112 PolarHBondContact O-N 2.87Å; R109-L113 WeakPolarHBondContact O-CG 3.43Å; R109-L113 PolarHBondContact O-N 2.95Å
110K96.3Very high89.8Confident131 Ų131111.4 Ų111.457%0.5755%0.548SS*.Hα-helixtrans-60.5-44.9176.3-73.3175-176.11770111.9S106 K107 Y108 L113 Q114S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.97Å; S106-K110 VanDerWaalsContact O-N 3.07Å; K107-K110 PolarHBondContact O-N 3.44Å; Y108-K110 VanDerWaalsContact C-N 3.35Å; Y108-K110 PolarHBondContact O-N 3.49Å; K110-L113 PolarHBondContact O-N 3.45Å; K110-Q114 WeakPolarHBondContact O-CB 3.2Å; K110-Q114 WeakPolarHBondContact O-CG 3.4Å; K110-Q114 PolarHBondContact O-N 3.05Å
111Q94.7Very high87.8Confident132 Ų132113.1 Ų113.162%0.61756%0.562SS**Hα-helixtrans-64.4-41.5178-174.2179.712.800111.7K107 Y108 R109 Q114 L115K107-Q111 WeakPolarHBondContact O-CB 3.38Å; K107-Q111 PolarHBondContact O-N 2.99Å; Y108-Q111 PolarHBondContact O-N 3.25Å; R109-Q111 PolarHBondContact O-N 3.36Å; Q111-Q114 PolarHBondContact O-N 3.29Å; Q111-L115 WeakPolarHBondContact O-CB 3.32Å; Q111-L115 PolarHBondContact O-N 2.97Å
112M90.3Very high85.9Confident73 Ų73112.2 Ų112.236%0.3656%0.561SS.*Hα-helixtrans-63-45.1177-171.362.370.400111.3Y108 R109 Q114 L115 M116Y108-M112 HydrophobicContact CE1-CE 4.23Å; Y108-M112 HydrophobicContact CE2-CE 4.27Å; Y108-M112 WeakPolarHBondContact O-CB 3.08Å; Y108-M112 PolarHBondContact O-N 3.33Å; Y108-M112 VanDerWaalsContact OH-CE 3.22Å; Y108-M112 WeakPolarHBondContact OH-CE 3.48Å; R109-M112 PolarHBondContact O-N 2.87Å; M112-Q114 PolarHBondContact O-N 3.03Å; M112-L115 WeakPolarHBondContact O-CB 3.43Å; M112-L115 PolarHBondContact O-N 3.18Å; M112-L115 HydrophobicContact SD-CD2 4.43Å; M112-M116 HydrophobicContact CG-SD 4.48Å; M112-M116 WeakPolarHBondContact O-CG 3.38Å; M112-M116 PolarHBondContact O-N 3.06Å
113L89.9Confident84.3Confident102 Ų102110.3 Ų110.353%0.53456%0.556SS.*Hα-helixtrans-60.4-45.3174.8-72.5170.4000111.3R109 K110 L115 M116 I117R109-L113 WeakPolarHBondContact O-CG 3.43Å; R109-L113 PolarHBondContact O-N 2.95Å; K110-L113 PolarHBondContact O-N 3.45Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 2.93Å; L113-M116 PolarHBondContact O-N 3.43Å; L113-I117 VanDerWaalsContact O-CG1 3.23Å; L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 2.93Å
114Q88Confident82.9Confident133 Ų133109.5 Ų109.562%0.62156%0.555SS**Hα-helixtrans-61.2-40174.6-75.6177.1-9.800112K110 Q111 M112 I117 A118K110-Q114 WeakPolarHBondContact O-CB 3.2Å; K110-Q114 WeakPolarHBondContact O-CG 3.4Å; K110-Q114 PolarHBondContact O-N 3.05Å; Q111-Q114 PolarHBondContact O-N 3.29Å; M112-Q114 PolarHBondContact O-N 3.03Å; Q114-I117 PolarHBondContact O-N 3.42Å; Q114-A118 WeakPolarHBondContact O-CB 3.33Å; Q114-A118 PolarHBondContact O-N 2.88Å
115L85.4Confident81.8Confident83 Ų83109.4 Ų109.444%0.43555%0.552SS.*Hα-helixtrans-64.7-42176.4-171.270.1000111.2Q111 M112 L113 I117 K119Q111-L115 WeakPolarHBondContact O-CB 3.32Å; Q111-L115 PolarHBondContact O-N 2.97Å; M112-L115 WeakPolarHBondContact O-CB 3.43Å; M112-L115 PolarHBondContact O-N 3.18Å; M112-L115 HydrophobicContact SD-CD2 4.43Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 2.93Å; L115-I117 VanDerWaalsContact C-N 3.33Å; L115-K119 HydrophobicContact CD1-CD 4.23Å; L115-K119 HydrophobicContact CD1-CG 4.34Å; L115-K119 HydrophobicContact CG-CD 4.19Å; L115-K119 WeakPolarHBondContact O-CB 3.26Å; L115-K119 WeakPolarHBondContact O-CG 3.27Å; L115-K119 PolarHBondContact O-N 3.44Å
116M80.1Confident80.8Confident131 Ų131108.9 Ų108.965%0.64556%0.555SS**Hα-helixtrans-64.7-35.3175.7-71178.375.800112.5M112 L113 K119M112-M116 HydrophobicContact CG-SD 4.48Å; M112-M116 WeakPolarHBondContact O-CG 3.38Å; M112-M116 PolarHBondContact O-N 3.06Å; L113-M116 PolarHBondContact O-N 3.43Å; M116-K119 VanDerWaalsContact O-O 3.04Å
117I81Confident80.1Confident133 Ų133110.8 Ų110.868%0.68257%0.565SS**Hα-helixtrans-80.1-44.9178.8-64.9167.2000111.4L113 Q114 L115 K120L113-I117 VanDerWaalsContact O-CG1 3.23Å; L113-I117 WeakPolarHBondContact O-CG1 3.42Å; L113-I117 PolarHBondContact O-N 2.93Å; Q114-I117 PolarHBondContact O-N 3.42Å; L115-I117 VanDerWaalsContact C-N 3.33Å; I117-K120 PolarHBondContact O-N 2.75Å
118A75.8Confident79.4Confident85 Ų85109.1 Ų109.170%0.70256%0.561SS**Hα-helixtrans-69-36.8-179.200000111.7Q114 K120Q114-A118 WeakPolarHBondContact O-CB 3.33Å; Q114-A118 PolarHBondContact O-N 2.88Å; A118-K120 PolarHBondContact O-N 2.92Å
119K63.4Low78.8Confident116 Ų116108.5 Ų108.550%0.50456%0.561SS.*SBendtrans-77.369.6160.2-65.1-176.3173.3-179.40108.5L115 M116 A121 V122L115-K119 HydrophobicContact CD1-CD 4.23Å; L115-K119 HydrophobicContact CD1-CG 4.34Å; L115-K119 HydrophobicContact CG-CD 4.19Å; L115-K119 WeakPolarHBondContact O-CB 3.26Å; L115-K119 WeakPolarHBondContact O-CG 3.27Å; L115-K119 PolarHBondContact O-N 3.44Å; M116-K119 VanDerWaalsContact O-O 3.04Å; K119-A121 PolarHBondContact O-N 3.35Å; K119-V122 HydrophobicContact CB-CG2 4.17Å; K119-V122 HydrophobicContact CD-CG2 4.06Å
120K56.9Low78.3Confident194 Ų194104.6 Ų104.684%0.84356%0.558SS**THydrogen-bonded Turntrans-40.1105.4166.7-177.7-177.2-173.5-1790107.6I117 A118 V122I117-K120 PolarHBondContact O-N 2.75Å; A118-K120 PolarHBondContact O-N 2.92Å; K120-V122 PolarHBondContact O-N 3.31Å
121A57.7Low78Confident85 Ų85104.4 Ų104.470%0.70256%0.559SS**THydrogen-bonded Turntrans18.290.1-174.200000112.6K119 D123K119-A121 PolarHBondContact O-N 3.35Å; A121-D123 PolarHBondContact O-N 3.02Å
122V58.4Low77.9Confident92 Ų92104.4 Ų104.456%0.55856%0.559SS**  trans-51.8110.8154.6173.50000103.3K119 K120 T124K119-V122 HydrophobicContact CB-CG2 4.17Å; K119-V122 HydrophobicContact CD-CG2 4.06Å; K120-V122 PolarHBondContact O-N 3.31Å; V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 WeakPolarHBondContact O-CG2 3.44Å; V122-T124 PolarHBondContact O-N 3.28Å
123D65.3Low77.9Confident97 Ų97103.9 Ų103.952%0.51956%0.563SS.*  trans-57.799.7-178.3-177.610.3000105.9A121 E125 P126A121-D123 PolarHBondContact O-N 3.02Å; D123-E125 WeakPolarHBondContact OD1-CB 3.41Å; D123-E125 PolarHBondContact OD1-N 3.39Å; D123-P126 VanDerWaalsContact CG-CD 3.43Å; D123-P126 WeakPolarHBondContact O-CD 3.38Å; D123-P126 WeakPolarHBondContact O-CG 3.5Å; D123-P126 WeakPolarHBondContact OD1-CD 3.41Å
124T68.5Low78.2Confident84 Ų84104 Ų10452%0.51556%0.56SS.*  trans-81.3-9.3-179.651.70000110V122 V127 L128V122-T124 VanDerWaalsContact C-N 3.26Å; V122-T124 WeakPolarHBondContact O-CG2 3.44Å; V122-T124 PolarHBondContact O-N 3.28Å; T124-V127 PolarHBondContact O-N 3.43Å; T124-L128 WeakPolarHBondContact O-CB 3.35Å; T124-L128 VanDerWaalsContact O-CG 3.32Å; T124-L128 WeakPolarHBondContact O-CG 3.49Å; T124-L128 PolarHBondContact O-N 2.94Å
125E74.8Confident78.5Confident103 Ų103100.6 Ų100.648%0.48155%0.551SS.*Hα-helixtrans-57-43.8177.9-154.8177.3149.300113.4D123 V127 L128 K129D123-E125 WeakPolarHBondContact OD1-CB 3.41Å; D123-E125 PolarHBondContact OD1-N 3.39Å; E125-V127 PolarHBondContact O-N 2.84Å; E125-L128 PolarHBondContact O-N 3.34Å; E125-K129 HydrophobicContact CG-CD 4.36Å; E125-K129 VanDerWaalsContact O-CB 3.3Å; E125-K129 WeakPolarHBondContact O-CB 3.33Å; E125-K129 VanDerWaalsContact O-CG 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.4Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE1-CE 3.26Å; E125-K129 WeakPolarHBondContact OE1-CE 3.49Å; E125-K129 IonicContact OE1-NZ 2.69Å; E125-K129 PolarHBondContact OE1-NZ 3.06Å
126P78.8Confident78.9Confident72 Ų7299.3 Ų99.347%0.46855%0.552SS.*Hα-helixtrans-62-39.4173.220.7-34.2000113.5D123 A130D123-P126 VanDerWaalsContact CG-CD 3.43Å; D123-P126 WeakPolarHBondContact O-CD 3.38Å; D123-P126 WeakPolarHBondContact O-CG 3.5Å; D123-P126 WeakPolarHBondContact OD1-CD 3.41Å; P126-A130 WeakPolarHBondContact O-CB 3.36Å; P126-A130 PolarHBondContact O-N 2.98Å
127V82.5Confident79.7Confident84 Ų8498.2 Ų98.251%0.50955%0.546SS..Hα-helixtrans-69.7-42.9178.3175.60000110.4T124 E125 A130 H131T124-V127 PolarHBondContact O-N 3.43Å; E125-V127 PolarHBondContact O-N 2.84Å; V127-A130 PolarHBondContact O-N 3.38Å; V127-H131 PolarHBondContact O-CD2 3.15Å; V127-H131 PolarHBondContact O-N 3.5Å
128L83.3Confident80.4Confident96 Ų9695.7 Ų95.750%0.50353%0.533SS..Hα-helixtrans-63.6-43.1175.5-72171.4000111.9T124 E125 H131 Q132T124-L128 WeakPolarHBondContact O-CB 3.35Å; T124-L128 VanDerWaalsContact O-CG 3.32Å; T124-L128 WeakPolarHBondContact O-CG 3.49Å; T124-L128 PolarHBondContact O-N 2.94Å; E125-L128 PolarHBondContact O-N 3.34Å; L128-H131 PolarHBondContact O-N 2.82Å; L128-Q132 WeakPolarHBondContact O-CB 3.37Å; L128-Q132 VanDerWaalsContact O-CG 3.31Å; L128-Q132 WeakPolarHBondContact O-CG 3.4Å; L128-Q132 PolarHBondContact O-N 3.03Å
129K85.9Confident81.4Confident116 Ų11697.1 Ų97.150%0.50453%0.525SS..Hα-helixtrans-62.3-42175-79176.1-177.9163.30111.8E125 Q132 S133E125-K129 HydrophobicContact CG-CD 4.36Å; E125-K129 VanDerWaalsContact O-CB 3.3Å; E125-K129 WeakPolarHBondContact O-CB 3.33Å; E125-K129 VanDerWaalsContact O-CG 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.4Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE1-CE 3.26Å; E125-K129 WeakPolarHBondContact OE1-CE 3.49Å; E125-K129 IonicContact OE1-NZ 2.69Å; E125-K129 PolarHBondContact OE1-NZ 3.06Å; K129-Q132 PolarHBondContact O-N 2.94Å; K129-S133 PolarHBondContact O-N 3.29Å; K129-S133 PolarHBondContact O-OG 2.9Å
130A88Confident83Confident54 Ų5495.3 Ų95.345%0.44653%0.526SS..Hα-helixtrans-63.4-40.1175.900000112.3P126 V127 S133 H134P126-A130 WeakPolarHBondContact O-CB 3.36Å; P126-A130 PolarHBondContact O-N 2.98Å; V127-A130 PolarHBondContact O-N 3.38Å; A130-S133 PolarHBondContact O-OG 2.93Å; A130-H134 WeakPolarHBondContact O-CB 3.42Å; A130-H134 PolarHBondContact O-N 2.86Å
131H90.5Very high84.9Confident127 Ų12791.9 Ų91.959%0.58851%0.514SS*.Hα-helixtrans-67.2-40.5174.5-79.6-63.4000112.6V127 L128 H134 S135V127-H131 PolarHBondContact O-CD2 3.15Å; V127-H131 PolarHBondContact O-N 3.5Å; L128-H131 PolarHBondContact O-N 2.82Å; H131-H134 PolarHBondContact O-N 3.34Å; H131-S135 WeakPolarHBondContact O-CB 3.49Å; H131-S135 PolarHBondContact O-N 2.92Å
132Q91.6Very high86.8Confident132 Ų13292.1 Ų92.162%0.61750%0.502SS*.Hα-helixtrans-64.5-45.4177.3-75.4172.5-0.500111.9L128 K129 H134 S135 A136L128-Q132 WeakPolarHBondContact O-CB 3.37Å; L128-Q132 VanDerWaalsContact O-CG 3.31Å; L128-Q132 WeakPolarHBondContact O-CG 3.4Å; L128-Q132 PolarHBondContact O-N 3.03Å; K129-Q132 PolarHBondContact O-N 2.94Å; Q132-H134 VanDerWaalsContact C-N 3.32Å; Q132-H134 PolarHBondContact O-N 3.34Å; Q132-S135 PolarHBondContact O-N 3.24Å; Q132-A136 PolarHBondContact O-N 2.93Å
133S91.2Very high88.6Confident63 Ų6392.4 Ų92.444%0.44150%0.5SS..Hα-helixtrans-62.4-42.617761.30000111.3K129 A130 A136 E137K129-S133 PolarHBondContact O-N 3.29Å; K129-S133 PolarHBondContact O-OG 2.9Å; A130-S133 PolarHBondContact O-OG 2.93Å; S133-A136 PolarHBondContact O-N 3.07Å; S133-E137 WeakPolarHBondContact O-CG 3.17Å; S133-E137 PolarHBondContact O-N 2.94Å
134H94.4Very high90.2Very high105 Ų10596.8 Ų96.849%0.48651%0.51SS..Hα-helixtrans-68.6-36.7179.8-160.438.8000112.4A130 H131 Q132 E137 I138A130-H134 WeakPolarHBondContact O-CB 3.42Å; A130-H134 PolarHBondContact O-N 2.86Å; H131-H134 PolarHBondContact O-N 3.34Å; Q132-H134 VanDerWaalsContact C-N 3.32Å; Q132-H134 PolarHBondContact O-N 3.34Å; H134-E137 IonicContact ND1-OE2 3.39Å; H134-E137 PolarHBondContact ND1-OE2 3.22Å; H134-E137 PolarHBondContact O-N 3.37Å; H134-I138 VanDerWaalsContact O-CG1 3.3Å; H134-I138 WeakPolarHBondContact O-CG1 3.33Å; H134-I138 PolarHBondContact O-N 3.03Å
135S94.4Very high91.5Very high61 Ų6197.9 Ų97.943%0.42751%0.511SS..Hα-helixtrans-61-44.7172.9-165.70000111.7H131 Q132 E137 I138 E139H131-S135 WeakPolarHBondContact O-CB 3.49Å; H131-S135 PolarHBondContact O-N 2.92Å; Q132-S135 PolarHBondContact O-N 3.24Å; S135-E137 VanDerWaalsContact C-N 3.35Å; S135-E137 PolarHBondContact O-N 3.21Å; S135-I138 PolarHBondContact O-N 2.99Å; S135-E139 WeakPolarHBondContact O-CG 3.39Å; S135-E139 PolarHBondContact O-N 3.46Å
136A95.3Very high92.6Very high55 Ų5596.3 Ų96.346%0.45551%0.511SS..Hα-helixtrans-65.1-37.1178.400000112.6Q132 S133 E139 S140Q132-A136 PolarHBondContact O-N 2.93Å; S133-A136 PolarHBondContact O-N 3.07Å; A136-E139 PolarHBondContact O-N 3Å; A136-S140 PolarHBondContact O-N 2.95Å
137E96.4Very high93.5Very high109 Ų10998.8 Ų98.851%0.50952%0.516SS..Hα-helixtrans-63.5-41.9173.1-74.6171.5-175.800112.1S133 H134 S135 S140 Q141S133-E137 WeakPolarHBondContact O-CG 3.17Å; S133-E137 PolarHBondContact O-N 2.94Å; H134-E137 IonicContact ND1-OE2 3.39Å; H134-E137 PolarHBondContact ND1-OE2 3.22Å; H134-E137 PolarHBondContact O-N 3.37Å; S135-E137 VanDerWaalsContact C-N 3.35Å; S135-E137 PolarHBondContact O-N 3.21Å; E137-S140 PolarHBondContact O-N 3.31Å; E137-Q141 WeakPolarHBondContact O-CG 3.39Å; E137-Q141 PolarHBondContact O-N 2.85Å
138I96.1Very high94.2Very high79 Ų79100 Ų10041%0.40552%0.518SS..Hα-helixtrans-63.9-45177-69.2166.2000110.4H134 S135 S140 Q141 I142H134-I138 VanDerWaalsContact O-CG1 3.3Å; H134-I138 WeakPolarHBondContact O-CG1 3.33Å; H134-I138 PolarHBondContact O-N 3.03Å; S135-I138 PolarHBondContact O-N 2.99Å; I138-S140 VanDerWaalsContact C-N 3.35Å; I138-S140 PolarHBondContact O-N 3.28Å; I138-Q141 PolarHBondContact O-N 2.83Å; I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 3.23Å
139E95.7Very high94.9Very high116 Ų11696.4 Ų96.454%0.54250%0.503SS..Hα-helixtrans-57.6-46.8175.2-75.1173.8-173.900111.4S135 A136 Q141 I142 D143S135-E139 WeakPolarHBondContact O-CG 3.39Å; S135-E139 PolarHBondContact O-N 3.46Å; A136-E139 PolarHBondContact O-N 3Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 3.19Å; E139-I142 WeakPolarHBondContact O-CB 3.48Å; E139-I142 PolarHBondContact O-N 2.76Å; E139-I142 VanDerWaalsContact O-N 3.1Å; E139-D143 PolarHBondContact O-N 2.95Å
140S97Very high95.4Very high77 Ų7796.8 Ų96.854%0.53851%0.507SS..Hα-helixtrans-61.1-36.9176.5179.70000113.1A136 E137 I138 R144A136-S140 PolarHBondContact O-N 2.95Å; E137-S140 PolarHBondContact O-N 3.31Å; I138-S140 VanDerWaalsContact C-N 3.35Å; I138-S140 PolarHBondContact O-N 3.28Å; S140-R144 PolarHBondContact O-N 3.44Å; S140-R144 VanDerWaalsContact O-N 3.13Å
141Q97.1Very high95.9Very high123 Ų12399.1 Ų99.158%0.57552%0.515SS*.Hα-helixtrans-67.4-38.9174.8-73.3178.319.500112E137 I138 E139 R144 I145E137-Q141 WeakPolarHBondContact O-CG 3.39Å; E137-Q141 PolarHBondContact O-N 2.85Å; I138-Q141 PolarHBondContact O-N 2.83Å; E139-Q141 VanDerWaalsContact C-N 3.3Å; E139-Q141 PolarHBondContact O-N 3.19Å; Q141-R144 PolarHBondContact O-N 3.46Å; Q141-I145 WeakPolarHBondContact O-CG1 3.45Å; Q141-I145 PolarHBondContact O-N 3.1Å
142I97.1Very high96.2Very high89 Ų8998.9 Ų98.946%0.45652%0.516SS..Hα-helixtrans-61.9-47.3176-68.9166.4000110.1I138 E139 R144 I145 C146I138-I142 HydrophobicContact CG2-CD1 3.96Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 3.23Å; E139-I142 WeakPolarHBondContact O-CB 3.48Å; E139-I142 PolarHBondContact O-N 2.76Å; E139-I142 VanDerWaalsContact O-N 3.1Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.47Å; I142-I145 PolarHBondContact O-N 2.99Å; I142-I145 VanDerWaalsContact O-N 3.1Å; I142-C146 PolarHBondContact O-N 3.43Å; I142-C146 PolarHBondContact O-SG 3.47Å; I142-C146 VanDerWaalsContact O-SG 3.36Å
143D97.2Very high96.5Very high98 Ų98100.2 Ų100.252%0.52452%0.515SS..Hα-helixtrans-57.7-43.5177.9-70.9-21.3000111.3E139 I145 C146 E147E139-D143 PolarHBondContact O-N 2.95Å; D143-I145 VanDerWaalsContact C-N 3.34Å; D143-I145 PolarHBondContact O-N 3.42Å; D143-C146 WeakPolarHBondContact O-CB 3.41Å; D143-C146 PolarHBondContact O-N 3.39Å; D143-C146 VanDerWaalsContact O-N 3.14Å; D143-E147 WeakPolarHBondContact O-CG 3.47Å; D143-E147 PolarHBondContact O-N 3.39Å
144R97.5Very high96.8Very high189 Ų189103 Ų10371%0.71352%0.519SS*.Hα-helixtrans-64.4-36.7177.3-168.1169.2-174.6168.21.8113.1S140 Q141 I142 C146 M148S140-R144 PolarHBondContact O-N 3.44Å; S140-R144 VanDerWaalsContact O-N 3.13Å; Q141-R144 PolarHBondContact O-N 3.46Å; I142-R144 VanDerWaalsContact C-N 3.28Å; I142-R144 PolarHBondContact O-N 3.47Å; R144-C146 VanDerWaalsContact C-N 3.35Å; R144-M148 VanDerWaalsContact O-CB 3.32Å; R144-M148 WeakPolarHBondContact O-CB 3.23Å; R144-M148 PolarHBondContact O-N 2.94Å
145I97.6Very high96.9Very high108 Ų108100.2 Ų100.255%0.55452%0.515SS*.Hα-helixtrans-66.5-40.1174-69.4166.7000110.3Q141 I142 D143 M148 G149Q141-I145 WeakPolarHBondContact O-CG1 3.45Å; Q141-I145 PolarHBondContact O-N 3.1Å; I142-I145 PolarHBondContact O-N 2.99Å; I142-I145 VanDerWaalsContact O-N 3.1Å; D143-I145 VanDerWaalsContact C-N 3.34Å; D143-I145 PolarHBondContact O-N 3.42Å; I145-M148 PolarHBondContact O-N 3.47Å; I145-G149 PolarHBondContact O-N 3.17Å
146C97.1Very high97Very high69 Ų69101.1 Ų101.147%0.46652%0.517SS..Hα-helixtrans-61.9-49176-70.30000111.6I142 D143 R144 M148 G149 E150I142-C146 PolarHBondContact O-N 3.43Å; I142-C146 PolarHBondContact O-SG 3.47Å; I142-C146 VanDerWaalsContact O-SG 3.36Å; D143-C146 WeakPolarHBondContact O-CB 3.41Å; D143-C146 PolarHBondContact O-N 3.39Å; D143-C146 VanDerWaalsContact O-N 3.14Å; R144-C146 VanDerWaalsContact C-N 3.35Å; C146-M148 VanDerWaalsContact C-N 3.35Å; C146-M148 PolarHBondContact O-N 3.16Å; C146-G149 WeakPolarHBondContact O-CA 3.48Å; C146-G149 PolarHBondContact O-N 3.41Å; C146-G149 VanDerWaalsContact O-N 3.11Å; C146-E150 PolarHBondContact O-N 2.98Å
147E97.3Very high97.1Very high125 Ų125103.1 Ų103.158%0.58452%0.518SS*.Hα-helixtrans-57.6-46.8175-72.1177.7178.700111.4D143 G149 E150 V151D143-E147 WeakPolarHBondContact O-CG 3.47Å; D143-E147 PolarHBondContact O-N 3.39Å; E147-G149 VanDerWaalsContact C-N 3.27Å; E147-G149 PolarHBondContact O-N 3.01Å; E147-E150 WeakPolarHBondContact O-CB 3.24Å; E147-E150 PolarHBondContact O-N 2.91Å; E147-E150 VanDerWaalsContact O-N 3.1Å; E147-V151 WeakPolarHBondContact O-CG2 3.48Å; E147-V151 PolarHBondContact O-N 3.34Å
148M97.4Very high97.1Very high110 Ų110101.5 Ų101.554%0.54252%0.515SS..Hα-helixtrans-61.6-38.1176.6-176.7170.359.900111.7R144 I145 C146 E150 V151 M152R144-M148 VanDerWaalsContact O-CB 3.32Å; R144-M148 WeakPolarHBondContact O-CB 3.23Å; R144-M148 PolarHBondContact O-N 2.94Å; I145-M148 PolarHBondContact O-N 3.47Å; C146-M148 VanDerWaalsContact C-N 3.35Å; C146-M148 PolarHBondContact O-N 3.16Å; M148-E150 VanDerWaalsContact C-N 3.32Å; M148-E150 PolarHBondContact O-N 3.44Å; M148-V151 PolarHBondContact O-N 2.96Å; M148-M152 WeakPolarHBondContact O-CB 3.28Å; M148-M152 PolarHBondContact O-N 3.39Å
149G97.6Very high97.2Very high19 Ų19102.9 Ų102.920%0.19652%0.523CS..Hα-helixtrans-61.9-38173.900000112.7I145 C146 E147 R153I145-G149 PolarHBondContact O-N 3.17Å; C146-G149 WeakPolarHBondContact O-CA 3.48Å; C146-G149 PolarHBondContact O-N 3.41Å; C146-G149 VanDerWaalsContact O-N 3.11Å; E147-G149 VanDerWaalsContact C-N 3.27Å; E147-G149 PolarHBondContact O-N 3.01Å; G149-R153 WeakPolarHBondContact O-CB 3.42Å; G149-R153 WeakPolarHBondContact O-CG 3.47Å; G149-R153 PolarHBondContact O-N 3.41Å; G149-R153 PolarHBondContact O-NH1 3.43Å
150E97.5Very high97.3Very high124 Ų124102 Ų10258%0.57952%0.522SS*.Hα-helixtrans-66-46.3173.6-70.6-177.6175.800112.1C146 E147 M148 M152 R153 K154C146-E150 PolarHBondContact O-N 2.98Å; E147-E150 WeakPolarHBondContact O-CB 3.24Å; E147-E150 PolarHBondContact O-N 2.91Å; E147-E150 VanDerWaalsContact O-N 3.1Å; M148-E150 VanDerWaalsContact C-N 3.32Å; M148-E150 PolarHBondContact O-N 3.44Å; E150-M152 PolarHBondContact O-N 3.07Å; E150-R153 PolarHBondContact O-N 3.1Å; E150-K154 PolarHBondContact O-N 2.88Å
151V97.6Very high97.2Very high103 Ų103102.5 Ų102.562%0.62452%0.519SS*.Hα-helixtrans-61.2-45.5177.1174.70000110.9E147 M148 K154 A155E147-V151 WeakPolarHBondContact O-CG2 3.48Å; E147-V151 PolarHBondContact O-N 3.34Å; M148-V151 PolarHBondContact O-N 2.96Å; V151-K154 PolarHBondContact O-N 3.32Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.15Å
152M97.3Very high97.2Very high122 Ų122101.4 Ų101.460%0.60151%0.514SS*.Hα-helixtrans-60-47.1176.6-84179.771.900111.7M148 E150 K154 A155 V156M148-M152 WeakPolarHBondContact O-CB 3.28Å; M148-M152 PolarHBondContact O-N 3.39Å; E150-M152 PolarHBondContact O-N 3.07Å; M152-K154 VanDerWaalsContact C-N 3.26Å; M152-K154 PolarHBondContact O-N 3.5Å; M152-A155 PolarHBondContact O-N 3.36Å; M152-V156 WeakPolarHBondContact O-CG2 3.48Å; M152-V156 PolarHBondContact O-N 2.91Å
153R97.4Very high97.2Very high161 Ų161103.2 Ų103.261%0.60852%0.519SS*.Hα-helixtrans-59-41176.4-77.6-173.1-64.1-90.84.8111.4G149 E150 Q157G149-R153 WeakPolarHBondContact O-CB 3.42Å; G149-R153 WeakPolarHBondContact O-CG 3.47Å; G149-R153 PolarHBondContact O-N 3.41Å; G149-R153 PolarHBondContact O-NH1 3.43Å; E150-R153 PolarHBondContact O-N 3.1Å; R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 PolarHBondContact O-N 3.1Å
154K97.4Very high97.1Very high120 Ų120101.5 Ų101.552%0.52251%0.513SS..Hα-helixtrans-67.9-41.5179-170.862.7-173.7174.30112.1E150 V151 M152 Q157 V158E150-K154 PolarHBondContact O-N 2.88Å; V151-K154 PolarHBondContact O-N 3.32Å; M152-K154 VanDerWaalsContact C-N 3.26Å; M152-K154 PolarHBondContact O-N 3.5Å; K154-Q157 PolarHBondContact O-N 2.97Å; K154-V158 WeakPolarHBondContact O-CG2 3.47Å; K154-V158 PolarHBondContact O-N 3.19Å
155A97.3Very high97.1Very high47 Ų4798.2 Ų98.239%0.38850%0.504SS..Hα-helixtrans-60-49.317600000111.1V151 M152 Q157 V158 D159V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.15Å; M152-A155 PolarHBondContact O-N 3.36Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.37Å; A155-V158 PolarHBondContact O-N 2.88Å; A155-V158 VanDerWaalsContact O-N 3.11Å; A155-D159 PolarHBondContact O-N 3.45Å
156V97Very high97.1Very high80 Ų8097.6 Ų97.649%0.48550%0.501SS..Hα-helixtrans-56.4-46.9175.7172.40000111.2M152 V158 D159 D160M152-V156 WeakPolarHBondContact O-CG2 3.48Å; M152-V156 PolarHBondContact O-N 2.91Å; V156-V158 VanDerWaalsContact C-N 3.3Å; V156-V158 PolarHBondContact O-N 3.48Å; V156-D159 PolarHBondContact O-N 2.86Å; V156-D160 PolarHBondContact O-N 3.07Å
157Q96.9Very high97.1Very high98 Ų9899.7 Ų99.746%0.45850%0.504SS..Hα-helixtrans-61-39.2178.5-170.5-171.935.400112.5R153 K154 A155 N161R153-Q157 WeakPolarHBondContact O-CB 3.42Å; R153-Q157 PolarHBondContact O-N 3.1Å; K154-Q157 PolarHBondContact O-N 2.97Å; A155-Q157 VanDerWaalsContact C-N 3.33Å; A155-Q157 PolarHBondContact O-N 3.37Å; Q157-N161 WeakPolarHBondContact O-CB 3.3Å; Q157-N161 VanDerWaalsContact O-CG 3.27Å; Q157-N161 PolarHBondContact O-N 3.23Å; Q157-N161 PolarHBondContact O-ND2 3.26Å
158V97.2Very high97.1Very high75 Ų75100.1 Ų100.146%0.45551%0.506SS..Hα-helixtrans-67.9-42.9178170.40000110.4K154 A155 V156 N161 Q162K154-V158 WeakPolarHBondContact O-CG2 3.47Å; K154-V158 PolarHBondContact O-N 3.19Å; A155-V158 PolarHBondContact O-N 2.88Å; A155-V158 VanDerWaalsContact O-N 3.11Å; V156-V158 VanDerWaalsContact C-N 3.3Å; V156-V158 PolarHBondContact O-N 3.48Å; V158-N161 PolarHBondContact O-N 3.16Å; V158-Q162 WeakPolarHBondContact O-CB 3.47Å; V158-Q162 PolarHBondContact O-N 3.49Å
159D97.3Very high97.1Very high107 Ų107101.8 Ų101.857%0.57251%0.51SS*.Hα-helixtrans-64.6-44.9178.7-73.1-11000111.8A155 V156 N161 Q162 F163A155-D159 PolarHBondContact O-N 3.45Å; V156-D159 PolarHBondContact O-N 2.86Å; D159-N161 VanDerWaalsContact C-N 3.35Å; D159-N161 PolarHBondContact O-N 3.37Å; D159-Q162 PolarHBondContact O-N 3.48Å; D159-Q162 VanDerWaalsContact O-N 3.12Å; D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 2.91Å
160D96.9Very high97.1Very high97 Ų97105.2 Ų105.252%0.51952%0.524SS..Hα-helixtrans-58.7-46176.1-75-19.9000111.4V156 Q162 F163 C164V156-D160 PolarHBondContact O-N 3.07Å; D160-Q162 VanDerWaalsContact C-N 3.28Å; D160-Q162 PolarHBondContact O-N 3.42Å; D160-F163 WeakPolarHBondContact O-CB 3.49Å; D160-F163 PolarHBondContact O-N 3.4Å; D160-C164 PolarHBondContact O-N 3.12Å; D160-C164 PolarHBondContact O-SG 2.88Å; D160-C164 VanDerWaalsContact O-SG 3.39Å
161N96Very high97.1Very high89 Ų89101.8 Ų101.848%0.47652%0.517SS..Hα-helixtrans-61.8-37.6176.8-76.6-46.7000112.2Q157 V158 D159 K165Q157-N161 WeakPolarHBondContact O-CB 3.3Å; Q157-N161 VanDerWaalsContact O-CG 3.27Å; Q157-N161 PolarHBondContact O-N 3.23Å; Q157-N161 PolarHBondContact O-ND2 3.26Å; V158-N161 PolarHBondContact O-N 3.16Å; D159-N161 VanDerWaalsContact C-N 3.35Å; D159-N161 PolarHBondContact O-N 3.37Å; N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.05Å
162Q96.6Very high97.1Very high100 Ų100103.4 Ų103.447%0.46752%0.517SS..Hα-helixtrans-72-38.7178-170.9657.100111.3V158 D159 D160 K165 I166V158-Q162 WeakPolarHBondContact O-CB 3.47Å; V158-Q162 PolarHBondContact O-N 3.49Å; D159-Q162 PolarHBondContact O-N 3.48Å; D159-Q162 VanDerWaalsContact O-N 3.12Å; D160-Q162 VanDerWaalsContact C-N 3.28Å; D160-Q162 PolarHBondContact O-N 3.42Å; Q162-K165 PolarHBondContact O-N 3.3Å; Q162-I166 HydrophobicContact CG-CD1 4.16Å; Q162-I166 WeakPolarHBondContact O-CG1 3.24Å; Q162-I166 PolarHBondContact O-N 3.43Å
163F97.1Very high97.1Very high127 Ų127102.3 Ų102.356%0.55751%0.513SS*.Hα-helixtrans-59.7-48.3174.9179-94.6000111.4D159 D160 K165 I166 Q167D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 2.91Å; D160-F163 WeakPolarHBondContact O-CB 3.49Å; D160-F163 PolarHBondContact O-N 3.4Å; F163-K165 VanDerWaalsContact C-N 3.33Å; F163-K165 PolarHBondContact O-N 3.45Å; F163-I166 PolarHBondContact O-N 3.02Å; F163-I166 VanDerWaalsContact O-N 3.15Å; F163-Q167 WeakPolarHBondContact O-CB 3.43Å; F163-Q167 PolarHBondContact O-N 3.47Å
164C96.3Very high97.1Very high61 Ų61100.5 Ų100.541%0.41251%0.512SS..Hα-helixtrans-56.4-45.9176.2-68.20000112D160 I166 Q167 E168D160-C164 PolarHBondContact O-N 3.12Å; D160-C164 PolarHBondContact O-SG 2.88Å; D160-C164 VanDerWaalsContact O-SG 3.39Å; C164-I166 VanDerWaalsContact C-N 3.33Å; C164-I166 PolarHBondContact O-N 2.89Å; C164-Q167 PolarHBondContact O-N 2.97Å; C164-E168 WeakPolarHBondContact O-CG 3.33Å; C164-E168 PolarHBondContact O-N 3.42Å
165K97.4Very high97.1Very high120 Ų12099.5 Ų99.552%0.52251%0.511SS..Hα-helixtrans-61.8-39.1177.8-70.6171.9-173.8173.10112.9N161 Q162 F163 K169N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.05Å; Q162-K165 PolarHBondContact O-N 3.3Å; F163-K165 VanDerWaalsContact C-N 3.33Å; F163-K165 PolarHBondContact O-N 3.45Å; K165-K169 WeakPolarHBondContact O-CG 3.45Å; K165-K169 PolarHBondContact O-N 2.91Å; K165-K169 VanDerWaalsContact O-N 3.14Å
166I97.4Very high97.1Very high95 Ų95101.8 Ų101.849%0.48751%0.514SS..Hα-helixtrans-67.5-44.2177.3-69.3166.9000109.7Q162 F163 C164 K169 L170Q162-I166 HydrophobicContact CG-CD1 4.16Å; Q162-I166 WeakPolarHBondContact O-CG1 3.24Å; Q162-I166 PolarHBondContact O-N 3.43Å; F163-I166 PolarHBondContact O-N 3.02Å; F163-I166 VanDerWaalsContact O-N 3.15Å; C164-I166 VanDerWaalsContact C-N 3.33Å; C164-I166 PolarHBondContact O-N 2.89Å; I166-K169 PolarHBondContact O-N 3.06Å; I166-L170 WeakPolarHBondContact O-CB 3.35Å; I166-L170 PolarHBondContact O-N 2.86Å
167Q97.2Very high97.1Very high113 Ų113102 Ų10253%0.52851%0.513SS..Hα-helixtrans-62.2-43.4178.9-169175.72500112F163 C164 L170 A171F163-Q167 WeakPolarHBondContact O-CB 3.43Å; F163-Q167 PolarHBondContact O-N 3.47Å; C164-Q167 PolarHBondContact O-N 2.97Å; Q167-L170 PolarHBondContact O-N 3.21Å; Q167-A171 PolarHBondContact O-N 3.28Å
168E96.9Very high97.1Very high134 Ų134103.6 Ų103.663%0.62652%0.518SS*.Hα-helixtrans-59.9-48174.7-75.3173.7-179.500111.9C164 L170 A171 Q172C164-E168 WeakPolarHBondContact O-CG 3.33Å; C164-E168 PolarHBondContact O-N 3.42Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.19Å; E168-A171 PolarHBondContact O-N 2.95Å; E168-Q172 WeakPolarHBondContact O-CB 3.4Å; E168-Q172 PolarHBondContact O-N 2.95Å
169K97.6Very high97Very high145 Ų145105 Ų10563%0.6352%0.52SS*.Hα-helixtrans-62.1-40.2177.1-79.9-169.4174-172.10112.4K165 I166 Q172 L173K165-K169 WeakPolarHBondContact O-CG 3.45Å; K165-K169 PolarHBondContact O-N 2.91Å; K165-K169 VanDerWaalsContact O-N 3.14Å; I166-K169 PolarHBondContact O-N 3.06Å; K169-Q172 PolarHBondContact O-N 3.36Å; K169-L173 WeakPolarHBondContact O-CB 3.4Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.46Å
170L97.6Very high97Very high92 Ų92104.4 Ų104.448%0.48252%0.516SS..Hα-helixtrans-63.6-47.6178.6-172.4142.8000110.4I166 Q167 E168 Q172 L173 E174I166-L170 WeakPolarHBondContact O-CB 3.35Å; I166-L170 PolarHBondContact O-N 2.86Å; Q167-L170 PolarHBondContact O-N 3.21Å; E168-L170 VanDerWaalsContact C-N 3.31Å; E168-L170 PolarHBondContact O-N 3.19Å; L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 2.9Å; L170-L173 PolarHBondContact O-N 2.82Å; L170-E174 VanDerWaalsContact CD2-CD 3.48Å; L170-E174 HydrophobicContact CD2-CG 4.19Å; L170-E174 VanDerWaalsContact CD2-OE1 3.31Å; L170-E174 WeakPolarHBondContact CD2-OE1 3.41Å; L170-E174 WeakPolarHBondContact O-CG 3.26Å; L170-E174 PolarHBondContact O-N 3.02Å
171A97.2Very high96.9Very high52 Ų52108.4 Ų108.443%0.4352%0.524SS..Hα-helixtrans-60.6-39.8175.700000112.5Q167 E168 E174 L175Q167-A171 PolarHBondContact O-N 3.28Å; E168-A171 PolarHBondContact O-N 2.95Å; A171-E174 PolarHBondContact O-N 3Å; A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 PolarHBondContact O-N 3.12Å
172Q97.4Very high96.8Very high137 Ų137108.8 Ų108.864%0.6452%0.522SS*.Hα-helixtrans-62.4-46.5176-172.5176.211.700111.8E168 K169 L170 L175 E176E168-Q172 WeakPolarHBondContact O-CB 3.4Å; E168-Q172 PolarHBondContact O-N 2.95Å; K169-Q172 PolarHBondContact O-N 3.36Å; L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 2.9Å; Q172-L175 PolarHBondContact O-N 2.72Å; Q172-E176 WeakPolarHBondContact O-CB 3.46Å; Q172-E176 PolarHBondContact O-N 2.94Å
173L97.8Very high96.6Very high98 Ų98109.3 Ų109.351%0.51353%0.528SS..Hα-helixtrans-67.5-34.2177.9-72.1171.9000112.6K169 L170 N177K169-L173 WeakPolarHBondContact O-CB 3.4Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.46Å; L170-L173 PolarHBondContact O-N 2.82Å; L173-N177 VanDerWaalsContact O-CB 3.3Å; L173-N177 WeakPolarHBondContact O-CB 3.47Å; L173-N177 PolarHBondContact O-N 3.34Å; L173-N177 PolarHBondContact O-ND2 3.31Å
174E97.3Very high96.4Very high124 Ų124109.3 Ų109.358%0.57953%0.533SS*.Hα-helixtrans-64.6-43.5173.9-77179.616000111.4L170 A171 N177 K178L170-E174 VanDerWaalsContact CD2-CD 3.48Å; L170-E174 HydrophobicContact CD2-CG 4.19Å; L170-E174 VanDerWaalsContact CD2-OE1 3.31Å; L170-E174 WeakPolarHBondContact CD2-OE1 3.41Å; L170-E174 WeakPolarHBondContact O-CG 3.26Å; L170-E174 PolarHBondContact O-N 3.02Å; A171-E174 PolarHBondContact O-N 3Å; E174-N177 PolarHBondContact O-N 3.45Å; E174-K178 WeakPolarHBondContact O-CB 3.32Å; E174-K178 PolarHBondContact O-N 2.9Å
175L97.1Very high96.1Very high98 Ų98109 Ų10951%0.51353%0.532SS..Hα-helixtrans-65.2-47.3176.8-167.5155000110.9A171 Q172 N177 K178 E179A171-L175 WeakPolarHBondContact O-CB 3.4Å; A171-L175 PolarHBondContact O-N 3.12Å; Q172-L175 PolarHBondContact O-N 2.72Å; L175-N177 PolarHBondContact O-N 3.5Å; L175-K178 WeakPolarHBondContact O-CB 3.47Å; L175-K178 PolarHBondContact O-N 3.27Å; L175-K178 VanDerWaalsContact O-N 3.11Å; L175-E179 HydrophobicContact CD2-CG 3.97Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.4Å; L175-E179 WeakPolarHBondContact O-CG 3.44Å; L175-E179 PolarHBondContact O-N 3.21Å
176E97.1Very high95.8Very high96 Ų96108.3 Ų108.345%0.44953%0.533SS..Hα-helixtrans-59.6-44.9176.1-175-178.6179.600111.5Q172 K178 E179 L180Q172-E176 WeakPolarHBondContact O-CB 3.46Å; Q172-E176 PolarHBondContact O-N 2.94Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.5Å; E176-E179 PolarHBondContact O-N 3.48Å; E176-L180 HydrophobicContact CG-CD1 4.02Å; E176-L180 HydrophobicContact CG-CG 4.35Å; E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 VanDerWaalsContact O-CG 3.24Å; E176-L180 WeakPolarHBondContact O-CG 3.48Å; E176-L180 PolarHBondContact O-N 2.96Å
177N96.4Very high95.3Very high84 Ų84106.7 Ų106.745%0.44953%0.53SS..Hα-helixtrans-61-37.9175.7-92.3-74.6000112.4L173 E174 L175 R181L173-N177 VanDerWaalsContact O-CB 3.3Å; L173-N177 WeakPolarHBondContact O-CB 3.47Å; L173-N177 PolarHBondContact O-N 3.34Å; L173-N177 PolarHBondContact O-ND2 3.31Å; E174-N177 PolarHBondContact O-N 3.45Å; L175-N177 PolarHBondContact O-N 3.5Å; N177-R181 WeakPolarHBondContact O-CB 3.48Å; N177-R181 WeakPolarHBondContact O-CD 3.44Å; N177-R181 WeakPolarHBondContact O-CG 3.33Å; N177-R181 PolarHBondContact O-N 2.95Å
178K97.1Very high94.5Very high132 Ų132103.6 Ų103.657%0.57452%0.521SS*.Hα-helixtrans-65.8-48.9176.8-176.5-178.2172.1-1720110.7E174 L175 E176 L180 R181 E182E174-K178 WeakPolarHBondContact O-CB 3.32Å; E174-K178 PolarHBondContact O-N 2.9Å; L175-K178 WeakPolarHBondContact O-CB 3.47Å; L175-K178 PolarHBondContact O-N 3.27Å; L175-K178 VanDerWaalsContact O-N 3.11Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.5Å; K178-L180 PolarHBondContact O-N 2.87Å; K178-R181 WeakPolarHBondContact O-CB 3.49Å; K178-R181 PolarHBondContact O-N 3.35Å; K178-E182 WeakPolarHBondContact CE-OE1 3.42Å; K178-E182 WeakPolarHBondContact O-CG 3.44Å; K178-E182 PolarHBondContact O-N 3.02Å
179E95.8Very high93.7Very high105 Ų105102.7 Ų102.749%0.49152%0.517SS..Hα-helixtrans-61.6-43.1177.7-70.8-178163.800112.1L175 E176 R181 E182 L183L175-E179 HydrophobicContact CD2-CG 3.97Å; L175-E179 WeakPolarHBondContact CD2-OE1 3.4Å; L175-E179 WeakPolarHBondContact O-CG 3.44Å; L175-E179 PolarHBondContact O-N 3.21Å; E176-E179 PolarHBondContact O-N 3.48Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.01Å; E179-E182 PolarHBondContact O-N 2.88Å; E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.01Å
180L96.3Very high92.6Very high93 Ų9399.2 Ų99.249%0.48751%0.51SS..Hα-helixtrans-61.6-39.5175.9-72.9173.6000111.9E176 K178 L184E176-L180 HydrophobicContact CG-CD1 4.02Å; E176-L180 HydrophobicContact CG-CG 4.35Å; E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 VanDerWaalsContact O-CG 3.24Å; E176-L180 WeakPolarHBondContact O-CG 3.48Å; E176-L180 PolarHBondContact O-N 2.96Å; K178-L180 PolarHBondContact O-N 2.87Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 PolarHBondContact O-N 3.05Å
181R94.6Very high91.2Very high182 Ų182100 Ų10069%0.68752%0.515SS*.Hα-helixtrans-65.9-42.9174.5-75.2169.4-178.8-111.42.3111.6N177 K178 E179 L184 S185N177-R181 WeakPolarHBondContact O-CB 3.48Å; N177-R181 WeakPolarHBondContact O-CD 3.44Å; N177-R181 WeakPolarHBondContact O-CG 3.33Å; N177-R181 PolarHBondContact O-N 2.95Å; K178-R181 WeakPolarHBondContact O-CB 3.49Å; K178-R181 PolarHBondContact O-N 3.35Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.01Å; R181-L184 PolarHBondContact O-N 2.95Å; R181-S185 PolarHBondContact O-N 3.44Å; R181-S185 PolarHBondContact O-OG 2.93Å
182E94.4Very high89.6Confident96 Ų96103.6 Ų103.645%0.44952%0.523SS..Hα-helixtrans-62.3-45.3176-72.5174.7-172.900111.6K178 E179 L184 S185 I186K178-E182 WeakPolarHBondContact CE-OE1 3.42Å; K178-E182 WeakPolarHBondContact O-CG 3.44Å; K178-E182 PolarHBondContact O-N 3.02Å; E179-E182 PolarHBondContact O-N 2.88Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.3Å; E182-S185 WeakPolarHBondContact O-CB 3.39Å; E182-S185 PolarHBondContact O-N 3.32Å; E182-I186 WeakPolarHBondContact O-CG1 3.47Å; E182-I186 PolarHBondContact O-N 2.92Å
183L93.8Very high87.8Confident112 Ų112101 Ų10159%0.58652%0.515SS*.Hα-helixtrans-59.1-41.6174.1-75.9170.9000112E179 I186 S187E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 WeakPolarHBondContact O-CG 3.45Å; E179-L183 PolarHBondContact O-N 3.01Å; L183-I186 PolarHBondContact O-N 3.44Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.49Å
184L91.3Very high85.9Confident126 Ų12698.4 Ų98.466%0.6651%0.513SS*.Hα-helixtrans-67.1-40.2177.5-163.4144.7000111.4L180 R181 E182 S187 S188L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 PolarHBondContact O-N 3.05Å; R181-L184 PolarHBondContact O-N 2.95Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.3Å; L184-S187 PolarHBondContact O-N 2.99Å; L184-S188 WeakPolarHBondContact O-CB 3.29Å; L184-S188 PolarHBondContact O-N 3.35Å; L184-S188 PolarHBondContact O-OG 2.89Å
185S90.9Very high83.9Confident56 Ų5699.5 Ų99.539%0.39252%0.516SS..Hα-helixtrans-58.5-50.9171.6-71.90000111.6R181 E182 S187 S188 E189R181-S185 PolarHBondContact O-N 3.44Å; R181-S185 PolarHBondContact O-OG 2.93Å; E182-S185 WeakPolarHBondContact O-CB 3.39Å; E182-S185 PolarHBondContact O-N 3.32Å; S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 3.04Å; S185-S188 PolarHBondContact O-N 3.2Å; S185-S188 VanDerWaalsContact O-N 3.11Å; S185-S188 PolarHBondContact O-OG 3.3Å; S185-E189 WeakPolarHBondContact O-CG 3.28Å; S185-E189 PolarHBondContact O-N 3.07Å
186I91.3Very high81.6Confident104 Ų104102.4 Ų102.453%0.53353%0.527SS..Hα-helixtrans-59.9-42.4177.4-65.4164000111.2E182 L183 S188 E189 S190E182-I186 WeakPolarHBondContact O-CG1 3.47Å; E182-I186 PolarHBondContact O-N 2.92Å; L183-I186 PolarHBondContact O-N 3.44Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 3.25Å; I186-E189 PolarHBondContact O-N 3.42Å; I186-S190 WeakPolarHBondContact O-CB 3.46Å; I186-S190 PolarHBondContact O-N 2.84Å; I186-S190 PolarHBondContact O-OG 2.93Å
187S86.2Confident79.3Confident61 Ų61104.4 Ų104.443%0.42754%0.541SS..Hα-helixtrans-64.3-39.1176.8-177.90000111.7L183 L184 S185 S190 L191L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.49Å; L184-S187 PolarHBondContact O-N 2.99Å; S185-S187 VanDerWaalsContact C-N 3.33Å; S185-S187 PolarHBondContact O-N 3.04Å; S187-S190 WeakPolarHBondContact CA-OG 3.47Å; S187-S190 PolarHBondContact O-OG 2.92Å; S187-L191 WeakPolarHBondContact O-CB 3.1Å; S187-L191 WeakPolarHBondContact O-CD1 3.35Å; S187-L191 PolarHBondContact O-N 2.97Å
188S81.1Confident77Confident49 Ų49104.4 Ų104.434%0.34355%0.547SS..Hα-helixtrans-70.2-38.8177.972.10000112.9L184 S185 I186 L191 Q192L184-S188 WeakPolarHBondContact O-CB 3.29Å; L184-S188 PolarHBondContact O-N 3.35Å; L184-S188 PolarHBondContact O-OG 2.89Å; S185-S188 PolarHBondContact O-N 3.2Å; S185-S188 VanDerWaalsContact O-N 3.11Å; S185-S188 PolarHBondContact O-OG 3.3Å; I186-S188 VanDerWaalsContact C-N 3.33Å; I186-S188 PolarHBondContact O-N 3.25Å; S188-L191 PolarHBondContact O-N 2.96Å; S188-Q192 WeakPolarHBondContact O-CG 3.34Å; S188-Q192 PolarHBondContact O-N 3.12Å
189E79.4Confident74.7Confident115 Ų115103.5 Ų103.554%0.53755%0.553SS.*Hα-helixtrans-67.1-43.6175.4-72.5171.6-170.400111.2S185 I186 L191 Q192 V193S185-E189 WeakPolarHBondContact O-CG 3.28Å; S185-E189 PolarHBondContact O-N 3.07Å; I186-E189 PolarHBondContact O-N 3.42Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3.14Å; E189-Q192 PolarHBondContact O-N 2.85Å; E189-V193 WeakPolarHBondContact O-CG2 3.47Å; E189-V193 PolarHBondContact O-N 3.02Å
190S74.9Confident72Confident71 Ų71105.6 Ų105.650%0.49757%0.567SS.*Hα-helixtrans-64.8-35174.752.10000113.2I186 S187 G194I186-S190 WeakPolarHBondContact O-CB 3.46Å; I186-S190 PolarHBondContact O-N 2.84Å; I186-S190 PolarHBondContact O-OG 2.93Å; S187-S190 WeakPolarHBondContact CA-OG 3.47Å; S187-S190 PolarHBondContact O-OG 2.92Å; S190-G194 PolarHBondContact O-N 3.11Å
191L67.5Low69.8Low109 Ų109106.5 Ų106.557%0.57158%0.578SS**Hα-helixtrans-66.4-34.9171.1-96.5149.7000113.1S187 S188 E189 K195S187-L191 WeakPolarHBondContact O-CB 3.1Å; S187-L191 WeakPolarHBondContact O-CD1 3.35Å; S187-L191 PolarHBondContact O-N 2.97Å; S188-L191 PolarHBondContact O-N 2.96Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 3.14Å; L191-K195 PolarHBondContact O-N 3.02Å
192Q63.1Low67.2Low128 Ų128102.1 Ų102.160%0.59858%0.581SS**Hα-helixtrans-70-43.7174.3-78.8176-4.700111.8S188 E189 G194 K195 E196S188-Q192 WeakPolarHBondContact O-CG 3.34Å; S188-Q192 PolarHBondContact O-N 3.12Å; E189-Q192 PolarHBondContact O-N 2.85Å; Q192-G194 VanDerWaalsContact C-N 3.29Å; Q192-G194 PolarHBondContact O-N 3.32Å; Q192-K195 PolarHBondContact O-N 3.26Å; Q192-E196 PolarHBondContact O-N 3.14Å
193V60.8Low64.7Low81 Ų81103.6 Ų103.649%0.49160%0.602SS.*Hα-helixtrans-63.4-34.2175174.20000111.9E189 N197E189-V193 WeakPolarHBondContact O-CG2 3.47Å; E189-V193 PolarHBondContact O-N 3.02Å; V193-N197 PolarHBondContact O-N 3.17Å; V193-N197 PolarHBondContact O-ND2 3.48Å; V193-N197 VanDerWaalsContact O-ND2 3.12Å
194G57.8Low62.2Low45 Ų45106.7 Ų106.746%0.46461%0.613SS.*Hα-helixtrans-68.1-31172.100000114S190 Q192S190-G194 PolarHBondContact O-N 3.11Å; Q192-G194 VanDerWaalsContact C-N 3.29Å; Q192-G194 PolarHBondContact O-N 3.32Å
195K55.1Low60.1Low147 Ų147106.6 Ų106.664%0.63962%0.621SS**Hα-helixtrans-77.1-40.8175-85.1177.3174.7176.70112.3L191 Q192 N197 S198L191-K195 PolarHBondContact O-N 3.02Å; Q192-K195 PolarHBondContact O-N 3.26Å; K195-N197 VanDerWaalsContact C-N 3.29Å; K195-N197 PolarHBondContact O-N 2.7Å; K195-S198 WeakPolarHBondContact CA-OG 3.37Å; K195-S198 PolarHBondContact O-N 3.43Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.44Å
196E48.7Very low57.8Low158 Ų158111 Ų11174%0.73864%0.638SS**Hα-helixtrans-63.1-33.3174.2-83.7-177.5151.900112.8Q192 S198Q192-E196 PolarHBondContact O-N 3.14Å; E196-S198 PolarHBondContact O-N 3.05Å
197N48.8Very low55.4Low139 Ų139119.3 Ų119.374%0.74367%0.671SS**THydrogen-bonded Turntrans-76.8-1.4174.1-70.7-32.7000114.4V193 K195V193-N197 PolarHBondContact O-N 3.17Å; V193-N197 PolarHBondContact O-ND2 3.48Å; V193-N197 VanDerWaalsContact O-ND2 3.12Å; K195-N197 VanDerWaalsContact C-N 3.29Å; K195-N197 PolarHBondContact O-N 2.7Å
198S47.6Very low53.9Low84 Ų84122.3 Ų122.359%0.58768%0.683SS**THydrogen-bonded Turntrans-111.90.7-17870.30000114.7K195 E196K195-S198 WeakPolarHBondContact CA-OG 3.37Å; K195-S198 PolarHBondContact O-N 3.43Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.44Å; E196-S198 PolarHBondContact O-N 3.05Å
199V49.2Very low52.4Low113 Ų113126.1 Ų126.169%0.68570%0.701SS**  trans-11390.2-179.7-178.50000110.9
200D39.4Very low50.9Low149 Ų149126.7 Ų126.780%0.79771%0.71SS**  -174.5155.3129.5-119.6-5.4000110.9
201P50.8Low49.5Very low111 Ų111130 Ų13072%0.72172%0.722SS**  cis-126.2176.3-31.835.4-19.2000111.1
202A39.2Very low48.4Very low91 Ų91131.3 Ų131.375%0.75273%0.732SS**  trans137.2110.2140.600000113.2
203S41.1Very low47.4Very low126 Ų126131.5 Ų131.588%0.88174%0.741SS**  trans-146.797.1144.3-74.60000108.1
204Q41.1Very low46.5Very low177 Ų177135.1 Ų135.183%0.82776%0.758SS**  trans-66.1150.8160.4-75.8179.9-30.200109.8
205P47.8Very low45.6Very low125 Ų125142.1 Ų142.181%0.81278%0.781SS**  trans-93.1130.9176.834.5-28000111
206I43.9Very low44.8Very low147 Ų147141.7 Ų141.775%0.75479%0.793SS**  trans-142117.5162.8-58-177.9000111.1
207K39.8Very low44.4Very low280 Ų280140.2 Ų140.2100%1.21780%0.798SS**  trans65.50160.3-82.1-179.5173.5176.70120.3

Retrieved 207 of 207 residues in 59.9 ms (Link to these results)

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