A0A061HV43_CRIGR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A061HV43, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Otud6a, Length 289 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
1M36.7Very low50.1Low192 Ų19298.8 Ų98.895%0.94650%0.503SS*.  0-25.70-68.5176.6176.800112N3 L73M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.25Å; M1-L73 HydrophobicContact CE-CD2 4.06Å
2D38.7Very low50.8Low147 Ų14794.1 Ų94.179%0.78648%0.479SS*.Hα-helixtrans-65.4-24.2177-117.8-9.7000116.2S6D2-S6 WeakPolarHBondContact O-CB 3.07Å; D2-S6 PolarHBondContact O-N 3.09Å
3N47.1Very low51.5Low108 Ų108100.5 Ų100.558%0.57849%0.493SS*.Hα-helixtrans-83-37.3-170-155.547.9000113.1M1 S6 E7M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.25Å; N3-S6 WeakPolarHBondContact O-CB 3.43Å; N3-S6 PolarHBondContact O-N 3.01Å; N3-E7 PolarHBondContact ND2-OE1 3.07Å; N3-E7 VanDerWaalsContact ND2-OE1 3.13Å; N3-E7 WeakPolarHBondContact O-CB 3.27Å; N3-E7 VanDerWaalsContact O-CG 3.29Å; N3-E7 WeakPolarHBondContact O-CG 3.33Å; N3-E7 PolarHBondContact O-N 3.13Å
4T47.3Very low53.1Low67 Ų67100.7 Ų100.741%0.41149%0.486SS..Hα-helixtrans-72.4-38.5-178.37.90000112.5E7 F8T4-E7 PolarHBondContact O-N 2.75Å; T4-F8 PolarHBondContact O-N 3.44Å
5E43.8Very low54.4Low134 Ų13495.1 Ų95.163%0.62646%0.459SS*.Hα-helixtrans-68.8-37.1175.5-164.6172.9-175.800111.1Q9E5-Q9 WeakPolarHBondContact O-CB 3.48Å; E5-Q9 VanDerWaalsContact O-CG 3.22Å; E5-Q9 WeakPolarHBondContact O-CG 3.32Å; E5-Q9 PolarHBondContact O-N 3.42Å; E5-Q9 VanDerWaalsContact O-N 3.08Å
6S50.6Low54.5Low53 Ų5398 Ų9837%0.37147%0.465SS..Hα-helixtrans-62.7-41.6170.4-178.90000112.3D2 N3 Q9 Q10D2-S6 WeakPolarHBondContact O-CB 3.07Å; D2-S6 PolarHBondContact O-N 3.09Å; N3-S6 WeakPolarHBondContact O-CB 3.43Å; N3-S6 PolarHBondContact O-N 3.01Å; S6-Q9 PolarHBondContact O-N 2.89Å; S6-Q10 VanDerWaalsContact O-CG 3.24Å; S6-Q10 WeakPolarHBondContact O-CG 3.49Å; S6-Q10 PolarHBondContact O-N 3.17Å; S6-Q10 PolarHBondContact O-NE2 3.38Å; S6-Q10 PolarHBondContact OG-NE2 3.5Å
7E56Low55.3Low83 Ų83102.2 Ų102.239%0.38848%0.475SS..Hα-helixtrans-66.8-43176.9-78.1172.7-171.500112.2N3 T4 Q9 Q10 V11 F66N3-E7 PolarHBondContact ND2-OE1 3.07Å; N3-E7 VanDerWaalsContact ND2-OE1 3.13Å; N3-E7 WeakPolarHBondContact O-CB 3.27Å; N3-E7 VanDerWaalsContact O-CG 3.29Å; N3-E7 WeakPolarHBondContact O-CG 3.33Å; N3-E7 PolarHBondContact O-N 3.13Å; T4-E7 PolarHBondContact O-N 2.75Å; E7-Q9 PolarHBondContact O-N 3.48Å; E7-Q10 WeakPolarHBondContact O-CB 3.46Å; E7-Q10 PolarHBondContact O-N 2.83Å; E7-Q10 VanDerWaalsContact O-N 3.16Å; E7-V11 WeakPolarHBondContact O-CG2 3.34Å; E7-V11 PolarHBondContact O-N 3.01Å; E7-F66 HydrophobicContact CB-CE1 4.35Å
8F54.1Low56.2Low74 Ų7498.8 Ų98.833%0.32546%0.459SS..Hα-helixtrans-60.1-44.9175.1-178.3-105000111.8T4 Q10 V11 I12 L63 F66T4-F8 PolarHBondContact O-N 3.44Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 3Å; F8-V11 PolarHBondContact O-N 3.17Å; F8-I12 HydrophobicContact CD1-CG1 4.26Å; F8-I12 HydrophobicContact CE1-CD1 4.36Å; F8-I12 HydrophobicContact CE1-CG1 3.93Å; F8-I12 HydrophobicContact CE2-CD1 4.42Å; F8-I12 HydrophobicContact CE2-CG1 4.4Å; F8-I12 HydrophobicContact CZ-CD1 4.01Å; F8-I12 HydrophobicContact CZ-CG1 4.01Å; F8-I12 WeakPolarHBondContact O-CG1 3.22Å; F8-I12 PolarHBondContact O-N 2.92Å; F8-L63 HydrophobicContact CD2-CD2 4.47Å; F8-L63 HydrophobicContact CE2-CD2 3.62Å; F8-L63 HydrophobicContact CZ-CD2 4.15Å; F8-F66 HydrophobicContact CB-CD1 4.13Å; F8-F66 HydrophobicContact CB-CE1 4.21Å; F8-F66 HydrophobicContact CD2-CB 3.83Å; F8-F66 HydrophobicContact CD2-CD1 4.1Å; F8-F66 AromaticContact CD2-CD2 3.77Å; F8-F66 HydrophobicContact CD2-CD2 3.77Å; F8-F66 HydrophobicContact CD2-CE2 4.37Å; F8-F66 AromaticContact CD2-CG 3.63Å; F8-F66 HydrophobicContact CD2-CG 3.63Å; F8-F66 HydrophobicContact CE2-CB 4.2Å; F8-F66 HydrophobicContact CE2-CD2 4.39Å; F8-F66 HydrophobicContact CE2-CG 4.38Å
9Q51.5Low57.1Low90 Ų9098.1 Ų98.142%0.42146%0.455SS..Hα-helixtrans-62.8-36175.7-70.7-69.5-2300112.5E5 S6 E7 R13E5-Q9 WeakPolarHBondContact O-CB 3.48Å; E5-Q9 VanDerWaalsContact O-CG 3.22Å; E5-Q9 WeakPolarHBondContact O-CG 3.32Å; E5-Q9 PolarHBondContact O-N 3.42Å; E5-Q9 VanDerWaalsContact O-N 3.08Å; S6-Q9 PolarHBondContact O-N 2.89Å; E7-Q9 PolarHBondContact O-N 3.48Å; Q9-R13 WeakPolarHBondContact O-CB 3.47Å; Q9-R13 VanDerWaalsContact O-CG 3.24Å; Q9-R13 WeakPolarHBondContact O-CG 3.12Å; Q9-R13 PolarHBondContact O-N 3.2Å; Q9-R13 VanDerWaalsContact O-N 3.12Å
10Q61.8Low57.7Low116 Ų116102.1 Ų102.154%0.54247%0.466SS..Hα-helixtrans-66.9-41.6173.9-73.7173.251.600111.8S6 E7 F8 R13 R14S6-Q10 VanDerWaalsContact O-CG 3.24Å; S6-Q10 WeakPolarHBondContact O-CG 3.49Å; S6-Q10 PolarHBondContact O-N 3.17Å; S6-Q10 PolarHBondContact O-NE2 3.38Å; S6-Q10 PolarHBondContact OG-NE2 3.5Å; E7-Q10 WeakPolarHBondContact O-CB 3.46Å; E7-Q10 PolarHBondContact O-N 2.83Å; E7-Q10 VanDerWaalsContact O-N 3.16Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 3Å; Q10-R13 PolarHBondContact O-N 3.31Å; Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 2.98Å
11V63.8Low58.8Low23 Ų23101.5 Ų101.514%0.13946%0.463CS..Hα-helixtrans-62.3-47.3176.7169.70000111E7 F8 R13 R14 H15 E62 F66E7-V11 WeakPolarHBondContact O-CG2 3.34Å; E7-V11 PolarHBondContact O-N 3.01Å; F8-V11 PolarHBondContact O-N 3.17Å; V11-R13 PolarHBondContact O-N 3.26Å; V11-R14 WeakPolarHBondContact O-CB 3.19Å; V11-R14 PolarHBondContact O-N 2.99Å; V11-R14 VanDerWaalsContact O-N 3.16Å; V11-H15 VanDerWaalsContact CG1-CE1 3.48Å; V11-H15 WeakPolarHBondContact CG1-CE1 3.41Å; V11-H15 WeakPolarHBondContact CG1-NE2 3.37Å; V11-H15 PolarHBondContact O-CD2 3.36Å; V11-H15 VanDerWaalsContact O-CD2 3.27Å; V11-H15 PolarHBondContact O-N 2.94Å; V11-E62 HydrophobicContact CG1-CB 4.14Å; V11-F66 HydrophobicContact CB-CE2 4.28Å; V11-F66 HydrophobicContact CG1-CE2 4.24Å; V11-F66 HydrophobicContact CG2-CE2 3.92Å; V11-F66 HydrophobicContact CG2-CZ 3.89Å
12I58.5Low60.8Low42 Ų4293.8 Ų93.822%0.21543%0.426CS..Hα-helixtrans-60.6-43.8177.2-66.6-70.6000111.6F8 R14 H15 Y16 L63F8-I12 HydrophobicContact CD1-CG1 4.26Å; F8-I12 HydrophobicContact CE1-CD1 4.36Å; F8-I12 HydrophobicContact CE1-CG1 3.93Å; F8-I12 HydrophobicContact CE2-CD1 4.42Å; F8-I12 HydrophobicContact CE2-CG1 4.4Å; F8-I12 HydrophobicContact CZ-CD1 4.01Å; F8-I12 HydrophobicContact CZ-CG1 4.01Å; F8-I12 WeakPolarHBondContact O-CG1 3.22Å; F8-I12 PolarHBondContact O-N 2.92Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.36Å; I12-H15 PolarHBondContact O-N 2.83Å; I12-Y16 HydrophobicContact CG2-CD2 3.78Å; I12-Y16 HydrophobicContact CG2-CE2 3.56Å; I12-Y16 WeakPolarHBondContact O-CD2 3.47Å; I12-Y16 PolarHBondContact O-N 3.22Å; I12-Y16 VanDerWaalsContact O-N 3.07Å; I12-L63 HydrophobicContact CD1-CD2 3.52Å; I12-L63 HydrophobicContact CG1-CD2 4.45Å
13R59.9Low62.6Low177 Ų17791.3 Ų91.367%0.66841%0.409SS*.Hα-helixtrans-62.9-39.2177-73.8173.3-170.2-173.54.6111.9Q9 Q10 V11 Y16 R17Q9-R13 WeakPolarHBondContact O-CB 3.47Å; Q9-R13 VanDerWaalsContact O-CG 3.24Å; Q9-R13 WeakPolarHBondContact O-CG 3.12Å; Q9-R13 PolarHBondContact O-N 3.2Å; Q9-R13 VanDerWaalsContact O-N 3.12Å; Q10-R13 PolarHBondContact O-N 3.31Å; V11-R13 PolarHBondContact O-N 3.26Å; R13-Y16 PolarHBondContact O-N 2.86Å; R13-R17 PolarHBondContact O-N 2.82Å; R13-R17 VanDerWaalsContact O-N 3.14Å
14R73.8Confident64.1Low104 Ų10488.7 Ų88.739%0.39240%0.403SS..Hα-helixtrans-62.7-46.3175.1-174.6-176.3138.2-139-17.8110.8Q10 V11 I12 Y16 R17 E18 E62Q10-R14 WeakPolarHBondContact O-CB 3.38Å; Q10-R14 PolarHBondContact O-N 2.98Å; V11-R14 WeakPolarHBondContact O-CB 3.19Å; V11-R14 PolarHBondContact O-N 2.99Å; V11-R14 VanDerWaalsContact O-N 3.16Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.36Å; R14-Y16 PolarHBondContact O-N 2.81Å; R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.19Å; R14-R17 VanDerWaalsContact O-N 3.1Å; R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 WeakPolarHBondContact CG-OE1 3.37Å; R14-E18 IonicContact CZ-OE1 3.04Å; R14-E18 IonicContact NE-OE1 3.77Å; R14-E18 PolarHBondContact NE-OE1 3.44Å; R14-E18 IonicContact NH2-OE1 3.66Å; R14-E18 PolarHBondContact NH2-OE1 3.16Å; R14-E18 WeakPolarHBondContact O-CG 3.29Å; R14-E18 PolarHBondContact O-N 3.06Å; R14-E62 IonicContact CZ-OE1 3.59Å; R14-E62 VanDerWaalsContact CZ-OE1 3.3Å; R14-E62 IonicContact CZ-OE2 3.63Å; R14-E62 IonicContact NH1-OE1 2.79Å; R14-E62 PolarHBondContact NH1-OE1 2.88Å; R14-E62 IonicContact NH1-OE2 2.9Å; R14-E62 PolarHBondContact NH1-OE2 3.28Å; R14-E62 IonicContact NH2-OE1 3.52Å; R14-E62 PolarHBondContact NH2-OE1 3.46Å; R14-E62 IonicContact NH2-OE2 3.71Å
15H72.6Confident65.9Low16 Ų1690.1 Ų90.17%0.07441%0.408CS..Hα-helixtrans-57.5-45.8176.8-66.1177.9000112.6V11 I12 R17 E18 K19 H59 E62V11-H15 VanDerWaalsContact CG1-CE1 3.48Å; V11-H15 WeakPolarHBondContact CG1-CE1 3.41Å; V11-H15 WeakPolarHBondContact CG1-NE2 3.37Å; V11-H15 PolarHBondContact O-CD2 3.36Å; V11-H15 VanDerWaalsContact O-CD2 3.27Å; V11-H15 PolarHBondContact O-N 2.94Å; I12-H15 PolarHBondContact O-N 2.83Å; H15-R17 VanDerWaalsContact C-N 3.29Å; H15-R17 PolarHBondContact O-N 2.71Å; H15-E18 PolarHBondContact O-N 2.98Å; H15-K19 WeakPolarHBondContact O-CB 3.24Å; H15-K19 PolarHBondContact O-N 3.05Å; H15-H59 VanDerWaalsContact CA-CE1 3.49Å; H15-H59 WeakPolarHBondContact CA-CE1 3.24Å; H15-H59 AromaticContact CD2-CD2 3.2Å; H15-H59 PolarHBondContact CD2-CD2 3.4Å; H15-H59 AromaticContact CD2-CE1 3.96Å; H15-H59 AromaticContact CD2-CG 3.55Å; H15-H59 AromaticContact CD2-NE2 3.49Å; H15-H59 PolarHBondContact CD2-NE2 3.18Å; H15-H59 AromaticContact CE1-CG 3.87Å; H15-H59 PolarHBondContact CE1-O 3Å; H15-H59 AromaticContact CG-CD2 3.63Å; H15-H59 AromaticContact CG-CE1 3.85Å; H15-H59 AromaticContact CG-CG 3.49Å; H15-H59 VanDerWaalsContact CG-CG 3.49Å; H15-H59 AromaticContact CG-ND1 3.65Å; H15-H59 AromaticContact CG-NE2 3.85Å; H15-H59 AromaticContact ND1-CG 3.72Å; H15-H59 AromaticContact NE2-CD2 3.5Å; H15-H59 AromaticContact NE2-CG 3.79Å; H15-E62 IonicContact CD2-OE2 2.76Å; H15-E62 IonicContact CE1-OE2 2.87Å; H15-E62 IonicContact NE2-OE2 2.59Å; H15-E62 PolarHBondContact NE2-OE2 2.81Å
16Y56.1Low67.7Low142 Ų14285.5 Ų85.556%0.55739%0.387SS*.Hα-helixtrans-62.6-35.1177.2-83.7-63000113.3I12 R13 R14 R20I12-Y16 HydrophobicContact CG2-CD2 3.78Å; I12-Y16 HydrophobicContact CG2-CE2 3.56Å; I12-Y16 WeakPolarHBondContact O-CD2 3.47Å; I12-Y16 PolarHBondContact O-N 3.22Å; I12-Y16 VanDerWaalsContact O-N 3.07Å; R13-Y16 PolarHBondContact O-N 2.86Å; R14-Y16 PolarHBondContact O-N 2.81Å; Y16-R20 WeakPolarHBondContact O-CB 3.45Å; Y16-R20 PolarHBondContact O-N 2.89Å
17R68.4Low69.1Low170 Ų17089.6 Ų89.664%0.64240%0.401SS*.Hα-helixtrans-71.1-49.3177.6-176.2176.9177.2178.20.1110.8R13 R14 H15 K19 R20 E21R13-R17 PolarHBondContact O-N 2.82Å; R13-R17 VanDerWaalsContact O-N 3.14Å; R14-R17 WeakPolarHBondContact O-CB 3.49Å; R14-R17 PolarHBondContact O-N 3.19Å; R14-R17 VanDerWaalsContact O-N 3.1Å; H15-R17 VanDerWaalsContact C-N 3.29Å; H15-R17 PolarHBondContact O-N 2.71Å; R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 2.97Å; R17-R20 PolarHBondContact O-N 2.82Å; R17-R20 VanDerWaalsContact O-N 3.16Å; R17-E21 HydrophobicContact CG-CG 4.41Å; R17-E21 WeakPolarHBondContact CG-OE1 3.28Å; R17-E21 IonicContact CZ-OE1 3.95Å; R17-E21 IonicContact NE-OE1 2.78Å; R17-E21 PolarHBondContact NE-OE1 2.8Å; R17-E21 IonicContact NH2-OE1 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3.48Å; R17-E21 PolarHBondContact O-N 2.85Å
18E71.8Confident70.5Confident40 Ų4088.1 Ų88.119%0.18740%0.403CS..Hα-helixtrans-58.2-44.2178.8-71177.3-17500111.5R14 H15 R20 E21 L22 M55 H59R14-E18 HydrophobicContact CG-CG 4.43Å; R14-E18 WeakPolarHBondContact CG-OE1 3.37Å; R14-E18 IonicContact CZ-OE1 3.04Å; R14-E18 IonicContact NE-OE1 3.77Å; R14-E18 PolarHBondContact NE-OE1 3.44Å; R14-E18 IonicContact NH2-OE1 3.66Å; R14-E18 PolarHBondContact NH2-OE1 3.16Å; R14-E18 WeakPolarHBondContact O-CG 3.29Å; R14-E18 PolarHBondContact O-N 3.06Å; H15-E18 PolarHBondContact O-N 2.98Å; E18-R20 VanDerWaalsContact C-N 3.35Å; E18-R20 PolarHBondContact O-N 2.84Å; E18-E21 PolarHBondContact O-N 2.85Å; E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 3.32Å; E18-M55 VanDerWaalsContact C-CE 3.5Å; E18-M55 HydrophobicContact CB-CE 4.19Å; E18-M55 VanDerWaalsContact O-CE 3.25Å; E18-M55 WeakPolarHBondContact O-CE 3.31Å; E18-H59 IonicContact OE2-CD2 3.53Å; E18-H59 IonicContact OE2-CE1 3.8Å; E18-H59 IonicContact OE2-NE2 2.93Å; E18-H59 PolarHBondContact OE2-NE2 3.43Å
19K72.6Confident71.8Confident86 Ų8689 Ų8937%0.37441%0.41SS..Hα-helixtrans-62.1-40.5177.3-168.1164.3-166.91470112.8H15 R17 Q23 M55 E56H15-K19 WeakPolarHBondContact O-CB 3.24Å; H15-K19 PolarHBondContact O-N 3.05Å; R17-K19 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 2.97Å; K19-Q23 VanDerWaalsContact O-CG 3.31Å; K19-Q23 WeakPolarHBondContact O-CG 3.42Å; K19-Q23 PolarHBondContact O-N 2.74Å; K19-M55 HydrophobicContact CB-SD 3.96Å; K19-M55 HydrophobicContact CG-SD 4.35Å; K19-E56 IonicContact NZ-OE2 2.69Å; K19-E56 PolarHBondContact NZ-OE2 2.93Å; K19-E56 VanDerWaalsContact NZ-OE2 3.13Å
20R69.5Low73.3Confident178 Ų17890.4 Ų90.467%0.67242%0.415SS*.Hα-helixtrans-70.7-41178.7-176.5-179.6167.9-168.5-4111.8Y16 R17 E18 Q23 A24Y16-R20 WeakPolarHBondContact O-CB 3.45Å; Y16-R20 PolarHBondContact O-N 2.89Å; R17-R20 PolarHBondContact O-N 2.82Å; R17-R20 VanDerWaalsContact O-N 3.16Å; E18-R20 VanDerWaalsContact C-N 3.35Å; E18-R20 PolarHBondContact O-N 2.84Å; R20-Q23 PolarHBondContact O-N 3.01Å; R20-A24 WeakPolarHBondContact O-CB 3.31Å; R20-A24 PolarHBondContact O-N 3.38Å
21E80.3Confident74.2Confident90 Ų9089.6 Ų89.642%0.42142%0.422SS..Hα-helixtrans-64.9-41.4176.9-73.4174-178.500110.8R17 E18 A24 N25R17-E21 HydrophobicContact CG-CG 4.41Å; R17-E21 WeakPolarHBondContact CG-OE1 3.28Å; R17-E21 IonicContact CZ-OE1 3.95Å; R17-E21 IonicContact NE-OE1 2.78Å; R17-E21 PolarHBondContact NE-OE1 2.8Å; R17-E21 IonicContact NH2-OE1 3.2Å; R17-E21 WeakPolarHBondContact O-CG 3.48Å; R17-E21 PolarHBondContact O-N 2.85Å; E18-E21 PolarHBondContact O-N 2.85Å; E21-A24 PolarHBondContact O-N 3.42Å; E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 PolarHBondContact O-N 2.91Å; E21-N25 PolarHBondContact O-ND2 2.83Å
22L78.7Confident75Confident30 Ų3092.3 Ų92.316%0.15744%0.442CS..Hα-helixtrans-64.1-44.4175.5-16797.7000112.2E18 A24 N25 I26 L51 E52 M55E18-L22 WeakPolarHBondContact O-CB 3.46Å; E18-L22 PolarHBondContact O-N 3.32Å; L22-A24 PolarHBondContact O-N 3.12Å; L22-N25 PolarHBondContact O-N 2.98Å; L22-I26 HydrophobicContact CD2-CD1 3.85Å; L22-I26 HydrophobicContact CG-CD1 4.02Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.39Å; L22-L51 HydrophobicContact CD1-CB 4.1Å; L22-E52 HydrophobicContact CD2-CB 4.27Å; L22-E52 HydrophobicContact CD2-CG 3.37Å; L22-M55 HydrophobicContact CB-CE 3.35Å; L22-M55 HydrophobicContact CD1-CE 3.88Å; L22-M55 HydrophobicContact CD2-CE 3.67Å; L22-M55 HydrophobicContact CG-CE 3.81Å
23Q76.9Confident76.1Confident94 Ų9491.3 Ų91.344%0.43944%0.438SS..Hα-helixtrans-62.8-42.3176.6-75.3179.3-15.100112.3K19 R20 N25 I26 E27K19-Q23 VanDerWaalsContact O-CG 3.31Å; K19-Q23 WeakPolarHBondContact O-CG 3.42Å; K19-Q23 PolarHBondContact O-N 2.74Å; R20-Q23 PolarHBondContact O-N 3.01Å; Q23-N25 VanDerWaalsContact C-N 3.32Å; Q23-N25 PolarHBondContact O-N 3.49Å; Q23-I26 PolarHBondContact O-N 2.95Å; Q23-E27 WeakPolarHBondContact O-CG 3.48Å; Q23-E27 PolarHBondContact O-N 3.3Å
24A78.9Confident77Confident53 Ų5387 Ų8744%0.43843%0.432SS..Hα-helixtrans-63.1-39.4175.100000111.7R20 E21 L22 E27 A28R20-A24 WeakPolarHBondContact O-CB 3.31Å; R20-A24 PolarHBondContact O-N 3.38Å; E21-A24 PolarHBondContact O-N 3.42Å; L22-A24 PolarHBondContact O-N 3.12Å; A24-E27 PolarHBondContact O-N 3.23Å; A24-A28 WeakPolarHBondContact O-CB 3.4Å; A24-A28 PolarHBondContact O-N 2.77Å
25N83.1Confident76.8Confident97 Ų9790.5 Ų90.552%0.51945%0.45SS..Hα-helixtrans-66.1-40.9175.2-72.2-18.7000112E21 L22 Q23 A28 L29E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 PolarHBondContact O-N 2.91Å; E21-N25 PolarHBondContact O-ND2 2.83Å; L22-N25 PolarHBondContact O-N 2.98Å; Q23-N25 VanDerWaalsContact C-N 3.32Å; Q23-N25 PolarHBondContact O-N 3.49Å; N25-A28 PolarHBondContact O-N 2.8Å; N25-L29 WeakPolarHBondContact O-CB 3.41Å; N25-L29 VanDerWaalsContact O-CG 3.26Å; N25-L29 WeakPolarHBondContact O-CG 3.4Å; N25-L29 PolarHBondContact O-N 2.83Å
26I81.9Confident76.9Confident37 Ų3797.4 Ų97.419%0.1949%0.488CS..Hα-helixtrans-63-43.3175.8-69.1162.4000110.4L22 Q23 L29 K30 A48 E52L22-I26 HydrophobicContact CD2-CD1 3.85Å; L22-I26 HydrophobicContact CG-CD1 4.02Å; L22-I26 VanDerWaalsContact O-CG1 3.24Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.39Å; Q23-I26 PolarHBondContact O-N 2.95Å; I26-L29 PolarHBondContact O-N 3.47Å; I26-K30 WeakPolarHBondContact O-CB 3.43Å; I26-K30 PolarHBondContact O-N 3.44Å; I26-A48 HydrophobicContact CD1-CB 3.84Å; I26-A48 HydrophobicContact CG1-CB 3.84Å; I26-A48 HydrophobicContact CG2-CB 4.11Å; I26-E52 HydrophobicContact CD1-CG 4.08Å; I26-E52 WeakPolarHBondContact CD1-OE1 3.36Å
27E81.6Confident77.9Confident140 Ų14093.1 Ų93.165%0.65448%0.475SS*.Hα-helixtrans-65.9-40.9176.9-73.1179.1174.200112.3Q23 A24 K30 S31Q23-E27 WeakPolarHBondContact O-CG 3.48Å; Q23-E27 PolarHBondContact O-N 3.3Å; A24-E27 PolarHBondContact O-N 3.23Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-S31 WeakPolarHBondContact O-CB 3.23Å; E27-S31 PolarHBondContact O-N 2.96Å; E27-S31 PolarHBondContact O-OG 3.21Å
28A84.8Confident78.1Confident52 Ų5292.5 Ų92.543%0.4348%0.479SS..Hα-helixtrans-62.8-45.5174.400000112.1A24 N25 K30 S31 S32A24-A28 WeakPolarHBondContact O-CB 3.4Å; A24-A28 PolarHBondContact O-N 2.77Å; N25-A28 PolarHBondContact O-N 2.8Å; A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 3.18Å; A28-S31 PolarHBondContact O-N 3.21Å; A28-S31 PolarHBondContact O-OG 3.45Å; A28-S32 PolarHBondContact O-N 3.48Å
29L82.1Confident78.6Confident91 Ų9196.5 Ų96.548%0.47650%0.502SS..Hα-helixtrans-67.7-34.3176.9-71.1169.8000112.4N25 I26 S31 S32 V33 L44N25-L29 WeakPolarHBondContact O-CB 3.41Å; N25-L29 VanDerWaalsContact O-CG 3.26Å; N25-L29 WeakPolarHBondContact O-CG 3.4Å; N25-L29 PolarHBondContact O-N 2.83Å; I26-L29 PolarHBondContact O-N 3.47Å; L29-S31 VanDerWaalsContact C-N 3.33Å; L29-S32 PolarHBondContact O-N 3.1Å; L29-S32 PolarHBondContact O-OG 3.23Å; L29-V33 PolarHBondContact O-N 3.39Å; L29-L44 HydrophobicContact CB-CD2 4.39Å
30K81.3Confident78.8Confident121 Ų12199.4 Ų99.453%0.52651%0.51SS..Hα-helixtrans-70.1-31.4176.2-172.9174.9-177.4175.70112.5I26 E27 A28I26-K30 WeakPolarHBondContact O-CB 3.43Å; I26-K30 PolarHBondContact O-N 3.44Å; E27-K30 PolarHBondContact O-N 3.03Å; A28-K30 VanDerWaalsContact C-N 3.35Å; A28-K30 PolarHBondContact O-N 3.18Å
31S82.1Confident79.2Confident98 Ų9894.6 Ų94.669%0.68549%0.492SS*.Hα-helixtrans-80.6-27.3176.966.10000113.4E27 A28 L29 V33E27-S31 WeakPolarHBondContact O-CB 3.23Å; E27-S31 PolarHBondContact O-N 2.96Å; E27-S31 PolarHBondContact O-OG 3.21Å; A28-S31 PolarHBondContact O-N 3.21Å; A28-S31 PolarHBondContact O-OG 3.45Å; L29-S31 VanDerWaalsContact C-N 3.33Å; S31-V33 VanDerWaalsContact C-N 3.35Å
32S80.5Confident79.3Confident81 Ų8195.1 Ų95.157%0.56650%0.495SS*.Hα-helixtrans-75.5-21.9175.768.20000113.3A28 L29A28-S32 PolarHBondContact O-N 3.48Å; L29-S32 PolarHBondContact O-N 3.1Å; L29-S32 PolarHBondContact O-OG 3.23Å
33V81.9Confident79.6Confident21 Ų2199.6 Ų99.613%0.12752%0.515CS..SBendtrans-87.6121.9177.6176.20000112.6L29 S31 R40 R41 L44L29-V33 PolarHBondContact O-N 3.39Å; S31-V33 VanDerWaalsContact C-N 3.35Å; V33-R40 HydrophobicContact CG1-CB 4.03Å; V33-R41 HydrophobicContact CG1-CG 3.76Å; V33-L44 HydrophobicContact CB-CD1 3.96Å; V33-L44 HydrophobicContact CG2-CD1 3.24Å
34P77.1Confident79.9Confident85 Ų8597.3 Ų97.355%0.55251%0.506SS*.  trans-55144.3178.8-2432.2000113N36 D37P34-N36 PolarHBondContact O-N 3.45Å; P34-D37 PolarHBondContact O-N 2.75Å
35K70.1Confident80Confident178 Ų17898.9 Ų98.977%0.77451%0.506SS*.THydrogen-bonded Turntrans-62.4-18.3-177.3-66.6-177.6-180178.80114.6
36N74.9Confident80.1Confident161 Ų16198.5 Ų98.586%0.86150%0.504SS*.THydrogen-bonded Turntrans-89-13.3-174.1-12713.2000114.1P34 Q38P34-N36 PolarHBondContact O-N 3.45Å; N36-Q38 PolarHBondContact O-N 3.18Å
37D76.6Confident80.1Confident52 Ų5299.9 Ų99.928%0.27851%0.512SS..  trans-100.579.5-173.9-153.9-14.4000110.1P34 N39 R40 R41P34-D37 PolarHBondContact O-N 2.75Å; D37-N39 VanDerWaalsContact C-N 3.32Å; D37-N39 PolarHBondContact O-N 2.97Å; D37-R40 HydrophobicContact CB-CB 4.48Å; D37-R40 PolarHBondContact O-N 3.17Å; D37-R40 VanDerWaalsContact OD2-CD 3.3Å; D37-R40 WeakPolarHBondContact OD2-CD 3.3Å; D37-R40 IonicContact OD2-CZ 3.02Å; D37-R40 IonicContact OD2-NE 3.23Å; D37-R40 IonicContact OD2-NH1 3.85Å; D37-R40 PolarHBondContact OD2-NH1 3.06Å; D37-R41 PolarHBondContact O-N 2.97Å
38Q74.1Confident80.1Confident158 Ų15893.8 Ų93.874%0.73849%0.485SS*.Hα-helixtrans-60.1-38.6-173.8-81.6-173.9-26.200112.9N36 R41 Q42N36-Q38 PolarHBondContact O-N 3.18Å; Q38-R41 PolarHBondContact O-N 3.48Å; Q38-Q42 PolarHBondContact O-N 3.32Å
39N81.8Confident80Confident124 Ų12494 Ų9466%0.66349%0.487SS*.Hα-helixtrans-65.9-42.6-177.9-74.1-16.9000112.1D37 R41 Q42 Q43D37-N39 VanDerWaalsContact C-N 3.32Å; D37-N39 PolarHBondContact O-N 2.97Å; N39-R41 VanDerWaalsContact C-N 3.34Å; N39-R41 PolarHBondContact O-N 3.02Å; N39-Q42 PolarHBondContact O-N 2.93Å; N39-Q43 WeakPolarHBondContact O-CG 3.15Å; N39-Q43 PolarHBondContact O-N 3.48Å
40R76.9Confident80.3Confident146 Ų14697 Ų9755%0.55149%0.492SS*.Hα-helixtrans-68.1-33.2176.6-73.4-169.1174.1141-13.5112.8V33 D37 L44V33-R40 HydrophobicContact CG1-CB 4.03Å; D37-R40 HydrophobicContact CB-CB 4.48Å; D37-R40 PolarHBondContact O-N 3.17Å; D37-R40 VanDerWaalsContact OD2-CD 3.3Å; D37-R40 WeakPolarHBondContact OD2-CD 3.3Å; D37-R40 IonicContact OD2-CZ 3.02Å; D37-R40 IonicContact OD2-NE 3.23Å; D37-R40 IonicContact OD2-NH1 3.85Å; D37-R40 PolarHBondContact OD2-NH1 3.06Å; R40-L44 WeakPolarHBondContact O-CB 3.4Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 3.16Å
41R78.4Confident80.4Confident77 Ų7795.2 Ų95.229%0.29149%0.488SS..Hα-helixtrans-68-40.3173.9-78.3-178.1155.8-162.7-13.7112.4V33 D37 Q38 N39 L44 L45V33-R41 HydrophobicContact CG1-CG 3.76Å; D37-R41 PolarHBondContact O-N 2.97Å; Q38-R41 PolarHBondContact O-N 3.48Å; N39-R41 VanDerWaalsContact C-N 3.34Å; N39-R41 PolarHBondContact O-N 3.02Å; R41-L44 PolarHBondContact O-N 3.28Å; R41-L45 VanDerWaalsContact O-CG 3.3Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 2.86Å
42Q82.1Confident80.2Confident102 Ų10294.6 Ų94.648%0.47747%0.474SS..Hα-helixtrans-64.3-47.2176-170.15941.700110.7Q38 N39 L44 L45 D46Q38-Q42 PolarHBondContact O-N 3.32Å; N39-Q42 PolarHBondContact O-N 2.93Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.37Å; Q42-L45 PolarHBondContact O-N 2.78Å; Q42-L45 VanDerWaalsContact O-N 3.08Å; Q42-D46 PolarHBondContact NE2-OD1 2.84Å; Q42-D46 VanDerWaalsContact O-CG 3.29Å; Q42-D46 PolarHBondContact O-N 3.22Å
43Q85.2Confident80.3Confident123 Ų12393.7 Ų93.758%0.57547%0.471SS*.Hα-helixtrans-57-42.4175-74.5176.1-21.200112.7N39 L45 D46 D47N39-Q43 WeakPolarHBondContact O-CG 3.15Å; N39-Q43 PolarHBondContact O-N 3.48Å; Q43-L45 PolarHBondContact O-N 3.42Å; Q43-D46 PolarHBondContact O-N 2.81Å; Q43-D47 WeakPolarHBondContact O-CB 3.46Å; Q43-D47 PolarHBondContact O-N 3.45Å
44L83.7Confident80.5Confident47 Ų4797.6 Ų97.625%0.24649%0.488CS..Hα-helixtrans-66.7-32.8176.1-77175.8000114L29 V33 R40 R41 Q42 A48L29-L44 HydrophobicContact CB-CD2 4.39Å; V33-L44 HydrophobicContact CB-CD1 3.96Å; V33-L44 HydrophobicContact CG2-CD1 3.24Å; R40-L44 WeakPolarHBondContact O-CB 3.4Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 3.16Å; R41-L44 PolarHBondContact O-N 3.28Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.37Å; L44-A48 WeakPolarHBondContact O-CB 3.41Å; L44-A48 PolarHBondContact O-N 2.9Å
45L79.8Confident80.9Confident85 Ų8594 Ų9445%0.44546%0.464SS..Hα-helixtrans-71.3-41176.1-72.8170.4000111R41 Q42 Q43 A48 A49R41-L45 VanDerWaalsContact O-CG 3.3Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 2.86Å; Q42-L45 PolarHBondContact O-N 2.78Å; Q42-L45 VanDerWaalsContact O-N 3.08Å; Q43-L45 PolarHBondContact O-N 3.42Å; L45-A48 PolarHBondContact O-N 2.87Å; L45-A49 WeakPolarHBondContact O-CB 3.48Å; L45-A49 PolarHBondContact O-N 2.81Å
46D84.5Confident81Confident90 Ų9089 Ų8948%0.48144%0.444SS..Hα-helixtrans-67.9-41.1177.7-61.5-21.7000110.8Q42 Q43 A49 R50Q42-D46 PolarHBondContact NE2-OD1 2.84Å; Q42-D46 VanDerWaalsContact O-CG 3.29Å; Q42-D46 PolarHBondContact O-N 3.22Å; Q43-D46 PolarHBondContact O-N 2.81Å; D46-A49 PolarHBondContact O-N 2.61Å; D46-R50 WeakPolarHBondContact O-CB 3.41Å; D46-R50 PolarHBondContact O-N 3.49Å
47D83.1Confident81.5Confident66 Ų6686.9 Ų86.935%0.35343%0.428SS..Hα-helixtrans-65.1-40.6173.8-78.4-23.5000112.2Q43 R50 L51Q43-D47 WeakPolarHBondContact O-CB 3.46Å; Q43-D47 PolarHBondContact O-N 3.45Å; D47-R50 PolarHBondContact O-N 3.13Å; D47-R50 IonicContact OD1-CZ 2.63Å; D47-R50 IonicContact OD1-NH2 2.63Å; D47-R50 PolarHBondContact OD1-NH2 2.93Å; D47-L51 WeakPolarHBondContact O-CB 3.37Å; D47-L51 VanDerWaalsContact O-CG 3.3Å; D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.33Å
48A81.9Confident81.8Confident12 Ų1289.8 Ų89.810%0.09944%0.435CS..Hα-helixtrans-63-45.2174.700000111.7I26 L44 L45 R50 L51 E52I26-A48 HydrophobicContact CD1-CB 3.84Å; I26-A48 HydrophobicContact CG1-CB 3.84Å; I26-A48 HydrophobicContact CG2-CB 4.11Å; L44-A48 WeakPolarHBondContact O-CB 3.41Å; L44-A48 PolarHBondContact O-N 2.9Å; L45-A48 PolarHBondContact O-N 2.87Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.83Å; A48-L51 PolarHBondContact O-N 2.94Å; A48-E52 WeakPolarHBondContact O-CB 3.28Å; A48-E52 WeakPolarHBondContact O-CG 3.42Å; A48-E52 PolarHBondContact O-N 3.42Å
49A81.7Confident82.1Confident56 Ų5682.7 Ų82.746%0.46340%0.402SS..Hα-helixtrans-62.3-39.7177.700000111.9L45 D46 A53L45-A49 WeakPolarHBondContact O-CB 3.48Å; L45-A49 PolarHBondContact O-N 2.81Å; D46-A49 PolarHBondContact O-N 2.61Å; A49-A53 WeakPolarHBondContact O-CB 3.27Å; A49-A53 PolarHBondContact O-N 2.96Å
50R88.4Confident81.6Confident155 Ų15581.3 Ų81.359%0.58539%0.392SS*.Hα-helixtrans-63.5-47.4175.1-177.8177.361.4-170.8-4.4112D46 D47 A48 A53 E54D46-R50 WeakPolarHBondContact O-CB 3.41Å; D46-R50 PolarHBondContact O-N 3.49Å; D47-R50 PolarHBondContact O-N 3.13Å; D47-R50 IonicContact OD1-CZ 2.63Å; D47-R50 IonicContact OD1-NH2 2.63Å; D47-R50 PolarHBondContact OD1-NH2 2.93Å; A48-R50 VanDerWaalsContact C-N 3.32Å; A48-R50 PolarHBondContact O-N 2.83Å; R50-A53 PolarHBondContact O-N 2.95Å; R50-E54 PolarHBondContact O-N 3.13Å
51L83.3Confident81.5Confident82 Ų8279.4 Ų79.443%0.42939%0.389SS..Hα-helixtrans-67.1-35.1180-70.8170.3000112.6L22 D47 A48 M55L22-L51 HydrophobicContact CD1-CB 4.1Å; D47-L51 WeakPolarHBondContact O-CB 3.37Å; D47-L51 VanDerWaalsContact O-CG 3.3Å; D47-L51 WeakPolarHBondContact O-CG 3.23Å; D47-L51 PolarHBondContact O-N 3.33Å; A48-L51 PolarHBondContact O-N 2.94Å; L51-M55 WeakPolarHBondContact O-CB 2.9Å; L51-M55 PolarHBondContact O-N 3.32Å; L51-M55 VanDerWaalsContact O-N 3.09Å
52E79.3Confident81.4Confident86 Ų8677.5 Ų77.540%0.40238%0.383SS..Hα-helixtrans-65.1-44.2173.2-77.4-177168.900111.7L22 I26 A48 M55 E56L22-E52 HydrophobicContact CD2-CB 4.27Å; L22-E52 HydrophobicContact CD2-CG 3.37Å; I26-E52 HydrophobicContact CD1-CG 4.08Å; I26-E52 WeakPolarHBondContact CD1-OE1 3.36Å; A48-E52 WeakPolarHBondContact O-CB 3.28Å; A48-E52 WeakPolarHBondContact O-CG 3.42Å; A48-E52 PolarHBondContact O-N 3.42Å; E52-M55 PolarHBondContact O-N 2.96Å; E52-E56 WeakPolarHBondContact O-CB 3.43Å; E52-E56 PolarHBondContact O-N 3.37Å
53A82.3Confident80.6Confident61 Ų6175 Ų7550%0.50437%0.373SS..Hα-helixtrans-64.8-42.9178.300000112.3A49 R50 E56 Q57A49-A53 WeakPolarHBondContact O-CB 3.27Å; A49-A53 PolarHBondContact O-N 2.96Å; R50-A53 PolarHBondContact O-N 2.95Å; A53-E56 PolarHBondContact O-N 3.29Å; A53-Q57 WeakPolarHBondContact O-CB 3.21Å; A53-Q57 PolarHBondContact O-N 3.14Å
54E86.3Confident79.8Confident104 Ų10474.8 Ų74.849%0.48637%0.371SS..Hα-helixtrans-66-37.6178-171.2-178.6172.600112.1R50 R58R50-E54 PolarHBondContact O-N 3.13Å; E54-R58 WeakPolarHBondContact O-CG 3.47Å; E54-R58 PolarHBondContact O-N 2.85Å; E54-R58 VanDerWaalsContact O-N 3.16Å
55M85.6Confident79.1Confident10 Ų1079.1 Ų79.15%0.04939%0.387CS..Hα-helixtrans-63.3-51.2172.6178.2-160.6-71.100111.4E18 K19 L22 L51 E52 Q57 R58 H59E18-M55 VanDerWaalsContact C-CE 3.5Å; E18-M55 HydrophobicContact CB-CE 4.19Å; E18-M55 VanDerWaalsContact O-CE 3.25Å; E18-M55 WeakPolarHBondContact O-CE 3.31Å; K19-M55 HydrophobicContact CB-SD 3.96Å; K19-M55 HydrophobicContact CG-SD 4.35Å; L22-M55 HydrophobicContact CB-CE 3.35Å; L22-M55 HydrophobicContact CD1-CE 3.88Å; L22-M55 HydrophobicContact CD2-CE 3.67Å; L22-M55 HydrophobicContact CG-CE 3.81Å; L51-M55 WeakPolarHBondContact O-CB 2.9Å; L51-M55 PolarHBondContact O-N 3.32Å; L51-M55 VanDerWaalsContact O-N 3.09Å; E52-M55 PolarHBondContact O-N 2.96Å; M55-Q57 VanDerWaalsContact C-N 3.28Å; M55-Q57 PolarHBondContact O-N 3.46Å; M55-R58 PolarHBondContact O-N 3.13Å; M55-R58 VanDerWaalsContact O-N 3.13Å; M55-H59 WeakPolarHBondContact CG-CE1 3.45Å; M55-H59 WeakPolarHBondContact CG-NE2 3.28Å; M55-H59 PolarHBondContact O-CD2 3.44Å; M55-H59 PolarHBondContact O-N 2.98Å; M55-H59 VanDerWaalsContact SD-CE1 3.51Å
56E71.4Confident78.2Confident73 Ų7377 Ų7734%0.34138%0.375SS..Hα-helixtrans-62.9-38.1-176.3-171.468.5-141.400111K19 E52 A53 H59 Q60K19-E56 IonicContact NZ-OE2 2.69Å; K19-E56 PolarHBondContact NZ-OE2 2.93Å; K19-E56 VanDerWaalsContact NZ-OE2 3.13Å; E52-E56 WeakPolarHBondContact O-CB 3.43Å; E52-E56 PolarHBondContact O-N 3.37Å; A53-E56 PolarHBondContact O-N 3.29Å; E56-H59 PolarHBondContact O-N 3.39Å; E56-Q60 WeakPolarHBondContact O-CB 3.41Å; E56-Q60 VanDerWaalsContact O-CG 3.27Å; E56-Q60 WeakPolarHBondContact O-CG 3.46Å; E56-Q60 PolarHBondContact O-N 3.07Å
57Q84.8Confident76.6Confident115 Ų11578.8 Ų78.854%0.53738%0.38SS..Hα-helixtrans-63.2-41.9174.1-171.6178.34.300112.3A53 M55 Q60 Q61A53-Q57 WeakPolarHBondContact O-CB 3.21Å; A53-Q57 PolarHBondContact O-N 3.14Å; M55-Q57 VanDerWaalsContact C-N 3.28Å; M55-Q57 PolarHBondContact O-N 3.46Å; Q57-Q60 PolarHBondContact O-N 3.15Å; Q57-Q61 WeakPolarHBondContact O-CG 3.38Å; Q57-Q61 PolarHBondContact O-N 3.31Å
58R84.3Confident74.8Confident113 Ų11381.8 Ų81.843%0.42640%0.396SS..Hα-helixtrans-65.1-41.8175-73.5-174.8-61.4149.71.7111.7E54 M55 Q61 E62E54-R58 WeakPolarHBondContact O-CG 3.47Å; E54-R58 PolarHBondContact O-N 2.85Å; E54-R58 VanDerWaalsContact O-N 3.16Å; M55-R58 PolarHBondContact O-N 3.13Å; M55-R58 VanDerWaalsContact O-N 3.13Å; R58-Q61 PolarHBondContact O-N 3.07Å; R58-E62 WeakPolarHBondContact O-CG 3.5Å; R58-E62 PolarHBondContact O-N 3.06Å
59H79.6Confident73Confident9 Ų986.6 Ų86.64%0.04242%0.419CS..Hα-helixtrans-62.5-44.7177.1-67.8179.4000111.2H15 E18 M55 E56 Q61 E62 L63H15-H59 VanDerWaalsContact CA-CE1 3.49Å; H15-H59 WeakPolarHBondContact CA-CE1 3.24Å; H15-H59 AromaticContact CD2-CD2 3.2Å; H15-H59 PolarHBondContact CD2-CD2 3.4Å; H15-H59 AromaticContact CD2-CE1 3.96Å; H15-H59 AromaticContact CD2-CG 3.55Å; H15-H59 AromaticContact CD2-NE2 3.49Å; H15-H59 PolarHBondContact CD2-NE2 3.18Å; H15-H59 AromaticContact CE1-CG 3.87Å; H15-H59 PolarHBondContact CE1-O 3Å; H15-H59 AromaticContact CG-CD2 3.63Å; H15-H59 AromaticContact CG-CE1 3.85Å; H15-H59 AromaticContact CG-CG 3.49Å; H15-H59 VanDerWaalsContact CG-CG 3.49Å; H15-H59 AromaticContact CG-ND1 3.65Å; H15-H59 AromaticContact CG-NE2 3.85Å; H15-H59 AromaticContact ND1-CG 3.72Å; H15-H59 AromaticContact NE2-CD2 3.5Å; H15-H59 AromaticContact NE2-CG 3.79Å; E18-H59 IonicContact OE2-CD2 3.53Å; E18-H59 IonicContact OE2-CE1 3.8Å; E18-H59 IonicContact OE2-NE2 2.93Å; E18-H59 PolarHBondContact OE2-NE2 3.43Å; M55-H59 WeakPolarHBondContact CG-CE1 3.45Å; M55-H59 WeakPolarHBondContact CG-NE2 3.28Å; M55-H59 PolarHBondContact O-CD2 3.44Å; M55-H59 PolarHBondContact O-N 2.98Å; M55-H59 VanDerWaalsContact SD-CE1 3.51Å; E56-H59 PolarHBondContact O-N 3.39Å; H59-Q61 PolarHBondContact O-N 3.31Å; H59-E62 PolarHBondContact O-N 3.27Å; H59-L63 VanDerWaalsContact O-CG 3.31Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 3Å
60Q71.1Confident71.1Confident96 Ų9689.6 Ų89.645%0.44943%0.428SS..Hα-helixtrans-61.6-40.7175.7-73.6174.5900112.7E56 Q57 L63 K64E56-Q60 WeakPolarHBondContact O-CB 3.41Å; E56-Q60 VanDerWaalsContact O-CG 3.27Å; E56-Q60 WeakPolarHBondContact O-CG 3.46Å; E56-Q60 PolarHBondContact O-N 3.07Å; Q57-Q60 PolarHBondContact O-N 3.15Å; Q60-L63 PolarHBondContact O-N 3.36Å; Q60-K64 WeakPolarHBondContact O-CG 3.48Å; Q60-K64 PolarHBondContact O-N 3.1Å
61Q75.3Confident68.6Low105 Ų10587.5 Ų87.549%0.49143%0.432SS..Hα-helixtrans-67.1-35.5175.4-73.4175.9-1.200112.5Q57 R58 H59 K65Q57-Q61 WeakPolarHBondContact O-CG 3.38Å; Q57-Q61 PolarHBondContact O-N 3.31Å; R58-Q61 PolarHBondContact O-N 3.07Å; H59-Q61 PolarHBondContact O-N 3.31Å; Q61-K65 WeakPolarHBondContact O-CG 3.48Å; Q61-K65 PolarHBondContact O-N 3.16Å
62E75.4Confident66.4Low37 Ų3791.2 Ų91.217%0.17345%0.453CS..Hα-helixtrans-67.6-36.9174.5-73.7-177.9177.500111.7V11 R14 H15 R58 H59 F66V11-E62 HydrophobicContact CG1-CB 4.14Å; R14-E62 IonicContact CZ-OE1 3.59Å; R14-E62 VanDerWaalsContact CZ-OE1 3.3Å; R14-E62 IonicContact CZ-OE2 3.63Å; R14-E62 IonicContact NH1-OE1 2.79Å; R14-E62 PolarHBondContact NH1-OE1 2.88Å; R14-E62 IonicContact NH1-OE2 2.9Å; R14-E62 PolarHBondContact NH1-OE2 3.28Å; R14-E62 IonicContact NH2-OE1 3.52Å; R14-E62 PolarHBondContact NH2-OE1 3.46Å; R14-E62 IonicContact NH2-OE2 3.71Å; H15-E62 IonicContact CD2-OE2 2.76Å; H15-E62 IonicContact CE1-OE2 2.87Å; H15-E62 IonicContact NE2-OE2 2.59Å; H15-E62 PolarHBondContact NE2-OE2 2.81Å; R58-E62 WeakPolarHBondContact O-CG 3.5Å; R58-E62 PolarHBondContact O-N 3.06Å; H59-E62 PolarHBondContact O-N 3.27Å; E62-F66 WeakPolarHBondContact O-CD2 3.22Å; E62-F66 VanDerWaalsContact O-CE2 3.3Å; E62-F66 WeakPolarHBondContact O-CE2 3.49Å
63L65.4Low64.4Low51 Ų5192.5 Ų92.527%0.26746%0.462SS..Hα-helixtrans-71.8-40.3177-65174.4000113F8 I12 H59 Q60 K65 F66 E67F8-L63 HydrophobicContact CD2-CD2 4.47Å; F8-L63 HydrophobicContact CE2-CD2 3.62Å; F8-L63 HydrophobicContact CZ-CD2 4.15Å; I12-L63 HydrophobicContact CD1-CD2 3.52Å; I12-L63 HydrophobicContact CG1-CD2 4.45Å; H59-L63 VanDerWaalsContact O-CG 3.31Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 3Å; Q60-L63 PolarHBondContact O-N 3.36Å; L63-K65 PolarHBondContact O-N 3.01Å; L63-F66 PolarHBondContact O-N 3.4Å; L63-E67 PolarHBondContact O-N 2.82Å
64K68.3Low62Low118 Ų11898.5 Ų98.551%0.51348%0.479SS..Hα-helixtrans-59.6-32.3176.4-77.6-179.3177.9-170.80113.2Q60 F66 E67 D68Q60-K64 WeakPolarHBondContact O-CG 3.48Å; Q60-K64 PolarHBondContact O-N 3.1Å; K64-F66 PolarHBondContact O-N 2.79Å; K64-E67 PolarHBondContact O-N 3.41Å; K64-E67 VanDerWaalsContact O-N 3.13Å; K64-D68 PolarHBondContact O-N 3.22Å
65K69.3Low59.5Low137 Ų13799 Ų9960%0.59649%0.494SS*.Hα-helixtrans-61.9-23.5174-71.4172.7-175.8-179.90113.1Q61 L63 L69Q61-K65 WeakPolarHBondContact O-CG 3.48Å; Q61-K65 PolarHBondContact O-N 3.16Å; L63-K65 PolarHBondContact O-N 3.01Å; K65-L69 VanDerWaalsContact O-CD1 3.3Å; K65-L69 WeakPolarHBondContact O-CD1 3.48Å
66F60.5Low56.9Low41 Ų41103.5 Ų103.518%0.1852%0.522CS..Hα-helixtrans-91.1-28.3174.5-62.6-85.6000112.1E7 F8 V11 E62 L63 K64 L69 D70E7-F66 HydrophobicContact CB-CE1 4.35Å; F8-F66 HydrophobicContact CB-CD1 4.13Å; F8-F66 HydrophobicContact CB-CE1 4.21Å; F8-F66 HydrophobicContact CD2-CB 3.83Å; F8-F66 HydrophobicContact CD2-CD1 4.1Å; F8-F66 AromaticContact CD2-CD2 3.77Å; F8-F66 HydrophobicContact CD2-CD2 3.77Å; F8-F66 HydrophobicContact CD2-CE2 4.37Å; F8-F66 AromaticContact CD2-CG 3.63Å; F8-F66 HydrophobicContact CD2-CG 3.63Å; F8-F66 HydrophobicContact CE2-CB 4.2Å; F8-F66 HydrophobicContact CE2-CD2 4.39Å; F8-F66 HydrophobicContact CE2-CG 4.38Å; V11-F66 HydrophobicContact CB-CE2 4.28Å; V11-F66 HydrophobicContact CG1-CE2 4.24Å; V11-F66 HydrophobicContact CG2-CE2 3.92Å; V11-F66 HydrophobicContact CG2-CZ 3.89Å; E62-F66 WeakPolarHBondContact O-CD2 3.22Å; E62-F66 VanDerWaalsContact O-CE2 3.3Å; E62-F66 WeakPolarHBondContact O-CE2 3.49Å; L63-F66 PolarHBondContact O-N 3.4Å; K64-F66 PolarHBondContact O-N 2.79Å; F66-L69 PolarHBondContact O-N 2.98Å; F66-D70 PolarHBondContact O-N 3.25Å
67E50.8Low54.9Low127 Ų127105.6 Ų105.659%0.59354%0.54SS*.Hα-helixtrans-67.7-39.1171.5-69.4178.9157.700112.3L63 K64 L69 D70 T71L63-E67 PolarHBondContact O-N 2.82Å; K64-E67 PolarHBondContact O-N 3.41Å; K64-E67 VanDerWaalsContact O-N 3.13Å; E67-L69 PolarHBondContact O-N 3.06Å; E67-D70 PolarHBondContact O-N 3.28Å; E67-T71 PolarHBondContact O-OG1 3.06Å
68D46.5Very low52.6Low129 Ų129104 Ų10469%0.6955%0.546SS*.Hα-helixtrans-69.1-18.5177.8-69.5-28.1000112.8K64K64-D68 PolarHBondContact O-N 3.22Å
69L44.7Very low50.4Low113 Ų113105.5 Ų105.559%0.59256%0.563SS**Hα-helixtrans-85.2-22176-103.4139.7000112.8K65 F66 E67K65-L69 VanDerWaalsContact O-CD1 3.3Å; K65-L69 WeakPolarHBondContact O-CD1 3.48Å; F66-L69 PolarHBondContact O-N 2.98Å; E67-L69 PolarHBondContact O-N 3.06Å
70D40Very low48Very low120 Ų120113.3 Ų113.364%0.64260%0.604SS**Hα-helixtrans-87.2-13.1-178.5-97.3-13.5000113.5F66 E67 D72F66-D70 PolarHBondContact O-N 3.25Å; E67-D70 PolarHBondContact O-N 3.28Å; D70-D72 PolarHBondContact O-N 3.49Å
71T37.1Very low46.4Very low110 Ų110114.9 Ų114.968%0.67562%0.62SS**THydrogen-bonded Turntrans-74-14.3-179.1-47.80000112.9E67E67-T71 PolarHBondContact O-OG1 3.06Å
72D37.6Very low44.6Very low160 Ų160118.9 Ų118.986%0.85664%0.636SS**THydrogen-bonded Turntrans-100.12.6-176.3-13619.7000113.9D70D70-D72 PolarHBondContact O-N 3.49Å
73L37Very low42.3Very low114 Ų114125.7 Ų125.760%0.59767%0.67SS**  trans-132.326.1-172.6-15468.3000114.5M1 S75M1-L73 HydrophobicContact CE-CD2 4.06Å; L73-S75 PolarHBondContact O-N 3.22Å
74E30.6Very low40.8Very low187 Ų187130 Ų13087%0.87469%0.693SS**THydrogen-bonded Turntrans-74.82177.6-96.7-168.6155.300115.2
75S33.6Very low39.1Very low113 Ų113133 Ų13379%0.7971%0.714SS**THydrogen-bonded Turntrans-90.8-15.7-171.21800000115.9L73L73-S75 PolarHBondContact O-N 3.22Å
76V32.1Very low37.4Very low105 Ų105134 Ų13464%0.63672%0.721SS**SBendtrans-143.6120.6-166.6-1730000112.9
77T28.4Very low36.2Very low117 Ų117139.3 Ų139.372%0.71875%0.751SS**  trans72.798.8158.756.50000116.8
78A37.3Very low35.3Very low81 Ų81139.6 Ų139.667%0.66976%0.761SS**  cis33.5104.947.800000112.3
79N37.9Very low34.4Very low146 Ų146138.9 Ų138.978%0.78176%0.764SS**  trans100.676.6173.4-51.6-52.9000116.7
80L28.6Very low33.9Very low172 Ų172138.1 Ų138.190%0.90177%0.765SS**  trans-164.868.6139.5-99.3145.9000111.3
81T37.6Very low33.8Very low129 Ų129140.5 Ų140.579%0.79177%0.765SS**  trans-61.2140.2152.641.40000110.9
82K37.8Very low33.5Very low189 Ų189138 Ų13882%0.82275%0.751SS**  trans95109.1170.2-68177.5168.61760115.4
83M28.3Very low33.8Very low180 Ų180131.1 Ų131.189%0.88772%0.715SS**  -173.9131.294.9-92.2-177.3-66.200112.9
84N33.2Very low33.9Very low142 Ų142133.8 Ų133.876%0.75972%0.722SS**  trans47111.4152.8-83.2-1.2000122.4
85L32Very low34.2Very low180 Ų180127.2 Ų127.294%0.94270%0.697SS**  trans-12889.8145.9-81.5162.6000109.3
86E34.1Very low34.4Very low159 Ų159123.7 Ų123.774%0.74367%0.668SS**  trans-85.6138.9155.2-75.9-176.7153.800108.8
87N34.4Very low35.1Very low152 Ų152125.5 Ų125.581%0.81367%0.667SS**  trans81.770.3165.4-61.5-39.6000120.2
88V33.1Very low36.1Very low133 Ų133124.1 Ų124.181%0.80665%0.649SS**  trans-143.7128.7141.4-177.20000109.3
89P27.5Very low36.6Very low115 Ų115123.8 Ų123.875%0.74763%0.633SS**PPolyproline II helixtrans-67.7136.7179.325.2-31.9000112R91P89-R91 PolarHBondContact O-N 3.25Å
90P33.7Very low37.1Very low96 Ų96123 Ų12362%0.62362%0.623SS**PPolyproline II helixtrans-74.6126.3-17127.4-32.3000112.4
91R38.3Very low38.2Very low171 Ų171123.7 Ų123.765%0.64561%0.613SS**PPolyproline II helixtrans-62.2142.8169.1-74.8-175.5178.5-178.32.1110.5P89 R213P89-R91 PolarHBondContact O-N 3.25Å; R91-R213 PolarHBondContact O-NH1 3.43Å; R91-R213 PolarHBondContact O-NH2 2.74Å
92P31.8Very low39Very low57 Ų57124.1 Ų124.137%0.3760%0.601SS.*PPolyproline II helixtrans-74.6130.4-176.327.4-33.2000114.3Q96P92-Q96 HydrophobicContact CB-CB 3.78Å
93S42.3Very low39.7Very low15 Ų15116.5 Ų116.511%0.10557%0.57CS.*PPolyproline II helixtrans-66.8166.2177.378.20000111.8S95 Q96 K97 D209S93-S95 PolarHBondContact O-N 2.79Å; S93-S95 WeakPolarHBondContact OG-CB 3.31Å; S93-S95 PolarHBondContact OG-N 3.39Å; S93-Q96 PolarHBondContact O-N 3.48Å; S93-Q96 PolarHBondContact OG-N 3.35Å; S93-K97 PolarHBondContact O-N 2.91Å; S93-D209 PolarHBondContact OG-OD2 3.33Å
94K39.2Very low40.9Very low170 Ų170113.1 Ų113.174%0.73955%0.55SS**Hα-helixtrans-54.6-34.7172.4-73.6-177.4178.5176.80111.7K97 R98K94-K97 PolarHBondContact O-N 2.84Å; K94-R98 WeakPolarHBondContact O-CB 3.42Å; K94-R98 PolarHBondContact O-N 3.45Å
95S36.9Very low41.9Very low49 Ų49108.9 Ų108.934%0.34353%0.53SS..Hα-helixtrans-63.8-46.3173.9-177.70000111.8S93 K97 R98 H99 D209S93-S95 PolarHBondContact O-N 2.79Å; S93-S95 WeakPolarHBondContact OG-CB 3.31Å; S93-S95 PolarHBondContact OG-N 3.39Å; S95-K97 PolarHBondContact O-N 3.14Å; S95-R98 PolarHBondContact O-N 2.52Å; S95-H99 WeakPolarHBondContact O-CB 3.37Å; S95-H99 PolarHBondContact O-N 3.02Å; S95-D209 VanDerWaalsContact CB-OD2 3.32Å; S95-D209 WeakPolarHBondContact CB-OD2 3.05Å
96Q39Very low43Very low39 Ų39104.4 Ų104.418%0.18250%0.504CS..Hα-helixtrans-65.9-37.8174.7-86.5-171.2-23.800113.8P92 S93 R98 K100 R213P92-Q96 HydrophobicContact CB-CB 3.78Å; S93-Q96 PolarHBondContact O-N 3.48Å; S93-Q96 PolarHBondContact OG-N 3.35Å; Q96-R98 VanDerWaalsContact C-N 3.27Å; Q96-R98 PolarHBondContact O-N 2.64Å; Q96-K100 WeakPolarHBondContact O-CB 3.48Å; Q96-K100 WeakPolarHBondContact O-CG 3.24Å; Q96-K100 PolarHBondContact O-N 2.81Å; Q96-R213 HydrophobicContact CG-CB 4.38Å; Q96-R213 HydrophobicContact CG-CG 4.5Å; Q96-R213 VanDerWaalsContact NE2-CB 3.33Å; Q96-R213 VanDerWaalsContact NE2-CD 3.33Å; Q96-R213 VanDerWaalsContact NE2-CG 3.3Å
97K46.2Very low44Very low144 Ų144102.7 Ų102.763%0.62649%0.49SS*.Hα-helixtrans-63.9-37.3173.8-72.8-174.5-179.2-1780110.8S93 K94 S95 R101S93-K97 PolarHBondContact O-N 2.91Å; K94-K97 PolarHBondContact O-N 2.84Å; S95-K97 PolarHBondContact O-N 3.14Å; K97-R101 WeakPolarHBondContact O-CB 3.31Å; K97-R101 PolarHBondContact O-N 3.34Å
98R48.8Very low45.1Very low88 Ų8899 Ų9933%0.33247%0.469SS..Hα-helixtrans-73.3-41.4178-166.7173.4-177.8-137.212.6112.8K94 S95 Q96 R101 R102 E191K94-R98 WeakPolarHBondContact O-CB 3.42Å; K94-R98 PolarHBondContact O-N 3.45Å; S95-R98 PolarHBondContact O-N 2.52Å; Q96-R98 VanDerWaalsContact C-N 3.27Å; Q96-R98 PolarHBondContact O-N 2.64Å; R98-R101 CarbonylContact O-C 3.55Å; R98-R101 PolarHBondContact O-N 3.02Å; R98-R102 WeakPolarHBondContact O-CG 3.38Å; R98-R102 PolarHBondContact O-N 2.57Å; R98-E191 IonicContact CZ-OE1 2.77Å; R98-E191 IonicContact NE-OE1 3.47Å; R98-E191 IonicContact NH1-OE1 3.3Å; R98-E191 PolarHBondContact NH1-OE1 3.21Å; R98-E191 IonicContact NH2-OE1 2.98Å; R98-E191 PolarHBondContact NH2-OE1 2.97Å; R98-E191 IonicContact NH2-OE2 3.52Å
99H48.7Very low46.2Very low73 Ų7399.9 Ų99.934%0.33846%0.457SS..Hα-helixtrans-69.1-46.7175.7-178.272.5000111.5S95 R101 R102 V103 W216S95-H99 WeakPolarHBondContact O-CB 3.37Å; S95-H99 PolarHBondContact O-N 3.02Å; H99-R101 PolarHBondContact O-N 2.88Å; H99-R102 PolarHBondContact O-N 3.13Å; H99-R102 VanDerWaalsContact O-N 3.08Å; H99-V103 WeakPolarHBondContact NE2-CG2 3.45Å; H99-V103 WeakPolarHBondContact O-CB 3.38Å; H99-V103 VanDerWaalsContact O-CG2 3.26Å; H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.09Å; H99-W216 AromaticContact CE1-CD2 3.88Å; H99-W216 AromaticContact CE1-CE2 3.59Å; H99-W216 AromaticContact CE1-CZ2 3.93Å; H99-W216 AromaticContact CE1-NE1 3.76Å; H99-W216 AromaticContact NE2-NE1 3.81Å
100K47.1Very low47.5Very low129 Ų12997.9 Ų97.956%0.56144%0.438SS*.Hα-helixtrans-58.8-36.5172.2-72-179.5178.8-172.40111.5Q96 F104Q96-K100 WeakPolarHBondContact O-CB 3.48Å; Q96-K100 WeakPolarHBondContact O-CG 3.24Å; Q96-K100 PolarHBondContact O-N 2.81Å; K100-F104 WeakPolarHBondContact O-CB 3.45Å; K100-F104 PolarHBondContact O-N 3.04Å
101R53.3Low48.7Very low187 Ų187100.1 Ų100.171%0.70644%0.44SS*.Hα-helixtrans-68.9-40.9173.5-171.2176.2-178.9-159.1-0.5112.3K97 R98 H99 V105K97-R101 WeakPolarHBondContact O-CB 3.31Å; K97-R101 PolarHBondContact O-N 3.34Å; R98-R101 CarbonylContact O-C 3.55Å; R98-R101 PolarHBondContact O-N 3.02Å; H99-R101 PolarHBondContact O-N 2.88Å; R101-V105 HydrophobicContact CG-CG2 4.22Å; R101-V105 WeakPolarHBondContact O-CB 3.23Å; R101-V105 WeakPolarHBondContact O-CG2 3.42Å; R101-V105 PolarHBondContact O-N 3.34Å
102R54.3Low49.9Very low139 Ų139101.4 Ų101.453%0.52545%0.445SS..Hα-helixtrans-63.1-54.4173.6-77.9-177.5178.8-178.2-1.9111R98 H99 F104 V105 E106R98-R102 WeakPolarHBondContact O-CG 3.38Å; R98-R102 PolarHBondContact O-N 2.57Å; H99-R102 PolarHBondContact O-N 3.13Å; H99-R102 VanDerWaalsContact O-N 3.08Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.48Å; R102-V105 PolarHBondContact O-N 2.95Å; R102-V105 VanDerWaalsContact O-N 3.15Å; R102-E106 WeakPolarHBondContact O-CB 3.32Å; R102-E106 PolarHBondContact O-N 3.3Å
103V52.2Low51.1Low29 Ų29102.2 Ų102.218%0.17645%0.445CS..Hα-helixtrans-54.2-43.6175.5171.20000111.5H99 R107 F265H99-V103 WeakPolarHBondContact NE2-CG2 3.45Å; H99-V103 WeakPolarHBondContact O-CB 3.38Å; H99-V103 VanDerWaalsContact O-CG2 3.26Å; H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.09Å; V103-R107 WeakPolarHBondContact O-CB 3.17Å; V103-R107 PolarHBondContact O-N 3.41Å; V103-F265 HydrophobicContact CB-CD1 4.37Å; V103-F265 HydrophobicContact CB-CE1 4.23Å; V103-F265 HydrophobicContact CG1-CD1 3.93Å; V103-F265 HydrophobicContact CG1-CE1 3.4Å; V103-F265 VanDerWaalsContact CG1-CE1 3.4Å; V103-F265 HydrophobicContact CG1-CZ 3.83Å; V103-F265 HydrophobicContact CG2-CD1 4.38Å
104F52.5Low52.4Low109 Ų109104.8 Ų104.848%0.47846%0.461SS..Hα-helixtrans-69.7-41.9177.8179.6-95.4000113K100 R102 Q108K100-F104 WeakPolarHBondContact O-CB 3.45Å; K100-F104 PolarHBondContact O-N 3.04Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.48Å; F104-Q108 HydrophobicContact CE1-CG 4.17Å; F104-Q108 HydrophobicContact CZ-CG 4.2Å; F104-Q108 VanDerWaalsContact CZ-NE2 3.32Å; F104-Q108 WeakPolarHBondContact O-CB 3.13Å; F104-Q108 PolarHBondContact O-N 2.86Å
105V53.8Low53.8Low53 Ų53100.7 Ų100.732%0.32146%0.459SS..Hα-helixtrans-68.1-41.8177.7168.10000110.8R101 R102 Q108 R109R101-V105 HydrophobicContact CG-CG2 4.22Å; R101-V105 WeakPolarHBondContact O-CB 3.23Å; R101-V105 WeakPolarHBondContact O-CG2 3.42Å; R101-V105 PolarHBondContact O-N 3.34Å; R102-V105 PolarHBondContact O-N 2.95Å; R102-V105 VanDerWaalsContact O-N 3.15Å; V105-Q108 PolarHBondContact O-N 3.28Å; V105-R109 WeakPolarHBondContact O-CB 3.25Å; V105-R109 WeakPolarHBondContact O-CG 3.31Å; V105-R109 PolarHBondContact O-N 2.91Å
106E55.1Low55.3Low86 Ų86101.5 Ų101.540%0.40247%0.468SS..Hα-helixtrans-66.7-41.6176.7-136.563.8-131.900110.7R102 Q108 R109 Q110R102-E106 WeakPolarHBondContact O-CB 3.32Å; R102-E106 PolarHBondContact O-N 3.3Å; E106-Q108 PolarHBondContact O-N 3.47Å; E106-R109 WeakPolarHBondContact O-CB 3.43Å; E106-R109 PolarHBondContact O-N 3.1Å; E106-R109 IonicContact OE1-NH1 3.16Å; E106-Q110 VanDerWaalsContact O-CB 3.31Å; E106-Q110 WeakPolarHBondContact O-CB 3.3Å; E106-Q110 PolarHBondContact O-N 2.81Å
107R56.3Low56.6Low122 Ų122103.4 Ų103.446%0.4648%0.477SS..Hα-helixtrans-60.9-45.8173-174.2-179.1-73.2161-7.5112V103 R109 Q110 E111 F265V103-R107 WeakPolarHBondContact O-CB 3.17Å; V103-R107 PolarHBondContact O-N 3.41Å; R107-R109 VanDerWaalsContact C-N 3.32Å; R107-R109 PolarHBondContact O-N 3.35Å; R107-Q110 PolarHBondContact O-N 3.25Å; R107-E111 WeakPolarHBondContact O-CG 3.39Å; R107-E111 PolarHBondContact O-N 2.97Å; R107-F265 HydrophobicContact CB-CE1 4.35Å
108Q56.3Low57.7Low76 Ų7699.1 Ų99.136%0.35547%0.468SS..Hα-helixtrans-65.7-33.5175.7-86.7-163.2-15.600113.1F104 V105 E106 R112F104-Q108 HydrophobicContact CE1-CG 4.17Å; F104-Q108 HydrophobicContact CZ-CG 4.2Å; F104-Q108 VanDerWaalsContact CZ-NE2 3.32Å; F104-Q108 WeakPolarHBondContact O-CB 3.13Å; F104-Q108 PolarHBondContact O-N 2.86Å; V105-Q108 PolarHBondContact O-N 3.28Å; E106-Q108 PolarHBondContact O-N 3.47Å; Q108-R112 VanDerWaalsContact O-CG 3.29Å; Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 3.37Å
109R56.4Low59Low150 Ų150101.6 Ų101.657%0.56648%0.484SS*.Hα-helixtrans-64.1-49.7171.7-80.6176.9173.4-167.4-3.6109.4V105 E106 R107 E111 R112 M113V105-R109 WeakPolarHBondContact O-CB 3.25Å; V105-R109 WeakPolarHBondContact O-CG 3.31Å; V105-R109 PolarHBondContact O-N 2.91Å; E106-R109 WeakPolarHBondContact O-CB 3.43Å; E106-R109 PolarHBondContact O-N 3.1Å; E106-R109 IonicContact OE1-NH1 3.16Å; R107-R109 VanDerWaalsContact C-N 3.32Å; R107-R109 PolarHBondContact O-N 3.35Å; R109-E111 PolarHBondContact O-N 3.41Å; R109-R112 CarbonylContact O-C 3.53Å; R109-R112 WeakPolarHBondContact O-CA 3.4Å; R109-R112 PolarHBondContact O-N 3.03Å; R109-M113 WeakPolarHBondContact O-CG 3.31Å; R109-M113 PolarHBondContact O-N 2.97Å; R109-M113 VanDerWaalsContact O-N 3.07Å
110Q55Low60.2Low73 Ų73103.9 Ų103.934%0.34150%0.495SS..Hα-helixtrans-60.8-42.9-178.3-153169.716.700113.1E106 R107 R112 M113 D264E106-Q110 VanDerWaalsContact O-CB 3.31Å; E106-Q110 WeakPolarHBondContact O-CB 3.3Å; E106-Q110 PolarHBondContact O-N 2.81Å; R107-Q110 PolarHBondContact O-N 3.25Å; Q110-R112 PolarHBondContact O-N 3.15Å; Q110-M113 WeakPolarHBondContact O-CB 3.48Å; Q110-M113 PolarHBondContact O-N 3.49Å; Q110-M113 VanDerWaalsContact O-N 3.08Å; Q110-D264 PolarHBondContact NE2-O 3.22Å; Q110-D264 PolarHBondContact OE1-O 2.91Å
111E60.1Low61.5Low144 Ų144100.9 Ų100.967%0.67348%0.484SS*.Hα-helixtrans-63.4-22.7174.2-74.4172.2-173.900113.1R107 R109R107-E111 WeakPolarHBondContact O-CG 3.39Å; R107-E111 PolarHBondContact O-N 2.97Å; R109-E111 PolarHBondContact O-N 3.41Å
112R63.3Low62.6Low198 Ų19893.9 Ų93.975%0.74747%0.467SS*.THydrogen-bonded Turntrans-1001.7177-66177.9-178.9-170.20.9112.9Q108 R109 Q110Q108-R112 VanDerWaalsContact O-CG 3.29Å; Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 3.37Å; R109-R112 CarbonylContact O-C 3.53Å; R109-R112 WeakPolarHBondContact O-CA 3.4Å; R109-R112 PolarHBondContact O-N 3.03Å; Q110-R112 PolarHBondContact O-N 3.15Å
113M55.9Low64Low73 Ų7390.3 Ų90.336%0.3646%0.461SS..SBendtrans-72.3130.3-179.8-63.1-60.5-87.700109.8R109 Q110 Q117R109-M113 WeakPolarHBondContact O-CG 3.31Å; R109-M113 PolarHBondContact O-N 2.97Å; R109-M113 VanDerWaalsContact O-N 3.07Å; Q110-M113 WeakPolarHBondContact O-CB 3.48Å; Q110-M113 PolarHBondContact O-N 3.49Å; Q110-M113 VanDerWaalsContact O-N 3.08Å; M113-Q117 HydrophobicContact CE-CB 3.93Å; M113-Q117 HydrophobicContact CE-CG 4.44Å; M113-Q117 PolarHBondContact SD-OE1 3.24Å; M113-Q117 VanDerWaalsContact SD-OE1 3.41Å
114P69.6Low65.5Low70 Ų7092.4 Ų92.446%0.45547%0.468SS..  trans-61.6145.5171.824.7-31.4000110.2A116 Q117 A118P114-A116 PolarHBondContact O-N 2.94Å; P114-Q117 HydrophobicContact CG-CB 4.26Å; P114-Q117 HydrophobicContact CG-CG 3.88Å; P114-Q117 PolarHBondContact O-N 2.99Å; P114-A118 PolarHBondContact O-N 3.49Å
115A69.9Low66.9Low83 Ų8391 Ų9169%0.68646%0.46SS*.Hα-helixtrans-51.8-33.9-175.900000113.7Q117 A118 E119A115-Q117 VanDerWaalsContact C-N 3.34Å; A115-Q117 PolarHBondContact O-N 3.38Å; A115-A118 PolarHBondContact O-N 2.85Å; A115-E119 PolarHBondContact O-N 3.39Å
116A67.4Low68.4Low66 Ų6696.6 Ų96.655%0.54548%0.475SS..Hα-helixtrans-62.3-34.9175.700000113.7P114 Q120P114-A116 PolarHBondContact O-N 2.94Å; A116-Q120 PolarHBondContact O-N 3.33Å
117Q65.9Low70Confident80 Ų8096.6 Ų96.637%0.37448%0.475SS..Hα-helixtrans-76.4-33.6176.5-70.9175.45.300111.6M113 P114 A115 E119 Q120 L121M113-Q117 HydrophobicContact CE-CB 3.93Å; M113-Q117 HydrophobicContact CE-CG 4.44Å; M113-Q117 PolarHBondContact SD-OE1 3.24Å; M113-Q117 VanDerWaalsContact SD-OE1 3.41Å; P114-Q117 HydrophobicContact CG-CB 4.26Å; P114-Q117 HydrophobicContact CG-CG 3.88Å; P114-Q117 PolarHBondContact O-N 2.99Å; A115-Q117 VanDerWaalsContact C-N 3.34Å; A115-Q117 PolarHBondContact O-N 3.38Å; Q117-E119 VanDerWaalsContact C-N 3.32Å; Q117-Q120 PolarHBondContact O-N 2.95Å; Q117-L121 WeakPolarHBondContact O-CG 3.22Å; Q117-L121 PolarHBondContact O-N 3.49Å
118A69.8Low71.6Confident53 Ų5390.9 Ų90.944%0.43845%0.454SS..Hα-helixtrans-64.7-38.4171.900000111.6P114 A115 L121 A122P114-A118 PolarHBondContact O-N 3.49Å; A115-A118 PolarHBondContact O-N 2.85Å; A118-L121 PolarHBondContact O-N 3.41Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.68Å
119E75.3Confident73.2Confident141 Ų14191 Ų9166%0.65945%0.454SS*.Hα-helixtrans-67.6-40.1175.3-169.7171.3-167.700112.4A115 Q117 A122 T123A115-E119 PolarHBondContact O-N 3.39Å; Q117-E119 VanDerWaalsContact C-N 3.32Å; E119-A122 PolarHBondContact O-N 2.97Å; E119-T123 PolarHBondContact O-N 3.11Å; E119-T123 PolarHBondContact O-OG1 3.29Å
120Q75.1Confident74.9Confident120 Ų12090.4 Ų90.456%0.56146%0.458SS*.Hα-helixtrans-60.5-45.3170.5-80.7-166-75.700112.3A116 Q117 A122 T123 H124A116-Q120 PolarHBondContact O-N 3.33Å; Q117-Q120 PolarHBondContact O-N 2.95Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 3.42Å; Q120-T123 WeakPolarHBondContact O-CB 3.49Å; Q120-T123 PolarHBondContact O-N 3.32Å; Q120-T123 VanDerWaalsContact O-N 3.13Å; Q120-H124 PolarHBondContact O-CD2 3.25Å; Q120-H124 PolarHBondContact O-N 3.49Å
121L73.2Confident76.7Confident66 Ų6691.1 Ų91.135%0.34646%0.46SS..Hα-helixtrans-62.1-39.9177.3-74.5166.3000112.1Q117 A118 T123 H124 R125 Y261Q117-L121 WeakPolarHBondContact O-CG 3.22Å; Q117-L121 PolarHBondContact O-N 3.49Å; A118-L121 PolarHBondContact O-N 3.41Å; L121-T123 VanDerWaalsContact C-N 3.28Å; L121-T123 PolarHBondContact O-N 2.96Å; L121-H124 PolarHBondContact O-N 2.94Å; L121-R125 PolarHBondContact O-N 3.19Å; L121-Y261 HydrophobicContact CD2-CD1 4.26Å
122A77.6Confident78.3Confident41 Ų4184.3 Ų84.334%0.33943%0.428SS..Hα-helixtrans-64-35.7174.700000112.1A118 E119 Q120 R126A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.68Å; E119-A122 PolarHBondContact O-N 2.97Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 3.42Å; A122-R126 WeakPolarHBondContact O-CG 3.27Å; A122-R126 PolarHBondContact O-N 3.12Å; A122-R126 VanDerWaalsContact O-N 3.15Å
123T83.4Confident79.8Confident64 Ų6477.8 Ų77.839%0.39342%0.416SS..Hα-helixtrans-65.9-48.9174.6-540000110.6E119 Q120 L121 R125 R126 E127E119-T123 PolarHBondContact O-N 3.11Å; E119-T123 PolarHBondContact O-OG1 3.29Å; Q120-T123 WeakPolarHBondContact O-CB 3.49Å; Q120-T123 PolarHBondContact O-N 3.32Å; Q120-T123 VanDerWaalsContact O-N 3.13Å; L121-T123 VanDerWaalsContact C-N 3.28Å; L121-T123 PolarHBondContact O-N 2.96Å; T123-R125 VanDerWaalsContact C-N 3.29Å; T123-R125 PolarHBondContact O-N 2.72Å; T123-R126 PolarHBondContact O-N 3.33Å; T123-R126 VanDerWaalsContact O-N 3.14Å; T123-E127 WeakPolarHBondContact O-CG 3.22Å; T123-E127 PolarHBondContact O-N 3.19Å
124H82.8Confident81.6Confident72 Ų7277.5 Ų77.533%0.33343%0.426SS..Hα-helixtrans-58.9-38.3176.2-71.5-53.9000113.1Q120 L121 E127 E128 Y261Q120-H124 PolarHBondContact O-CD2 3.25Å; Q120-H124 PolarHBondContact O-N 3.49Å; L121-H124 PolarHBondContact O-N 2.94Å; H124-E127 IonicContact ND1-OE2 3.99Å; H124-E128 VanDerWaalsContact O-CB 3.28Å; H124-E128 WeakPolarHBondContact O-CB 3.28Å; H124-E128 PolarHBondContact O-N 3.06Å; H124-Y261 HydrophobicContact CB-CD2 4.1Å; H124-Y261 HydrophobicContact CB-CE2 4.16Å; H124-Y261 HydrophobicContact CB-CG 4.32Å
125R82.8Confident82.8Confident80 Ų8076.7 Ų76.730%0.30242%0.417SS..Hα-helixtrans-61.2-47.7174.3-177.1-175.3-63.7172.5-2.5111.9L121 T123 E128 E129 Y261L121-R125 PolarHBondContact O-N 3.19Å; T123-R125 VanDerWaalsContact C-N 3.29Å; T123-R125 PolarHBondContact O-N 2.72Å; R125-E128 PolarHBondContact O-N 3.49Å; R125-E129 WeakPolarHBondContact O-CG 3.3Å; R125-E129 PolarHBondContact O-N 3.05Å; R125-Y261 PolarHBondContact NE-O 3.16Å; R125-Y261 PolarHBondContact NH2-O 3.39Å; R125-Y261 VanDerWaalsContact NH2-O 3.1Å
126R85.6Confident84Confident171 Ų17172.8 Ų72.865%0.64539%0.385SS*.Hα-helixtrans-62.7-46179-72179.2-175.8171.33.1111.5A122 T123 E128 E129 E130A122-R126 WeakPolarHBondContact O-CG 3.27Å; A122-R126 PolarHBondContact O-N 3.12Å; A122-R126 VanDerWaalsContact O-N 3.15Å; T123-R126 PolarHBondContact O-N 3.33Å; T123-R126 VanDerWaalsContact O-N 3.14Å; R126-E128 VanDerWaalsContact C-N 3.29Å; R126-E128 PolarHBondContact O-N 3.48Å; R126-E129 PolarHBondContact O-N 3.34Å; R126-E130 WeakPolarHBondContact O-CB 3.27Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 2.95Å
127E87.9Confident85.3Confident85 Ų8571.2 Ų71.240%0.39738%0.375SS..Hα-helixtrans-60-39.6176.6-70.3176.1179.800112.2T123 H124 K131T123-E127 WeakPolarHBondContact O-CG 3.22Å; T123-E127 PolarHBondContact O-N 3.19Å; H124-E127 IonicContact ND1-OE2 3.99Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 VanDerWaalsContact O-CG 3.27Å; E127-K131 WeakPolarHBondContact O-CG 3.38Å; E127-K131 PolarHBondContact O-N 3.41Å; E127-K131 VanDerWaalsContact O-N 3.12Å
128E90Very high86.6Confident3 Ų371.6 Ų71.61%0.01439%0.392CS..Hα-helixtrans-64.1-48.6175.9174.2170.7-117.400111.5H124 R125 R126 K131 I132 A238 L259 H260 Y261H124-E128 VanDerWaalsContact O-CB 3.28Å; H124-E128 WeakPolarHBondContact O-CB 3.28Å; H124-E128 PolarHBondContact O-N 3.06Å; R125-E128 PolarHBondContact O-N 3.49Å; R126-E128 VanDerWaalsContact C-N 3.29Å; R126-E128 PolarHBondContact O-N 3.48Å; E128-K131 PolarHBondContact O-N 2.95Å; E128-I132 HydrophobicContact CG-CD1 3.92Å; E128-I132 WeakPolarHBondContact O-CB 3.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.47Å; E128-I132 PolarHBondContact O-N 2.95Å; E128-A238 HydrophobicContact CB-CB 4.17Å; E128-A238 HydrophobicContact CG-CB 3.75Å; E128-L259 HydrophobicContact CG-CD2 3.71Å; E128-H260 VanDerWaalsContact CD-N 3.34Å; E128-H260 WeakPolarHBondContact OE1-CB 3.25Å; E128-H260 IonicContact OE1-CD2 3.84Å; E128-H260 PolarHBondContact OE1-CD2 3.36Å; E128-H260 IonicContact OE1-CG 3.82Å; E128-H260 PolarHBondContact OE1-N 3.28Å; E128-H260 PolarHBondContact OE2-N 2.92Å; E128-H260 VanDerWaalsContact OE2-N 3.13Å; E128-Y261 HydrophobicContact CB-CD2 4.48Å; E128-Y261 PolarHBondContact OE2-N 2.9Å
129E90Very high87.7Confident78 Ų7873 Ų7336%0.36439%0.388SS..Hα-helixtrans-62.8-41.9178.6-73.6175.2-174.400112.2R125 R126 I132 A133R125-E129 WeakPolarHBondContact O-CG 3.3Å; R125-E129 PolarHBondContact O-N 3.05Å; R126-E129 PolarHBondContact O-N 3.34Å; E129-I132 PolarHBondContact O-N 3.5Å; E129-A133 VanDerWaalsContact O-CB 3.31Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.97Å
130E91.9Very high88.6Confident138 Ų13871.5 Ų71.565%0.64539%0.385SS*.Hα-helixtrans-63.3-45.3177.5-76175.3-171.300112R126 I132 A133 A134R126-E130 WeakPolarHBondContact O-CB 3.27Å; R126-E130 WeakPolarHBondContact O-CG 3.36Å; R126-E130 PolarHBondContact O-N 2.95Å; E130-I132 PolarHBondContact O-N 3.38Å; E130-A133 PolarHBondContact O-N 3.42Å; E130-A134 PolarHBondContact O-N 3.33Å
131K93.2Very high89.6Confident87 Ų8767.3 Ų67.338%0.37837%0.366SS..Hα-helixtrans-61.8-44.4176.2-76.1170.1179.2170.50111.5E127 E128 A134 I135 A238 N239E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 VanDerWaalsContact O-CG 3.27Å; E127-K131 WeakPolarHBondContact O-CG 3.38Å; E127-K131 PolarHBondContact O-N 3.41Å; E127-K131 VanDerWaalsContact O-N 3.12Å; E128-K131 PolarHBondContact O-N 2.95Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 3.48Å; K131-I135 VanDerWaalsContact O-CG1 3.32Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.47Å; K131-A238 HydrophobicContact CB-CB 3.87Å; K131-A238 HydrophobicContact CD-CB 4.09Å; K131-N239 PolarHBondContact NZ-OD1 3.2Å
132I93.9Very high90.7Very high1 Ų167.4 Ų67.41%0.00537%0.365CS..Hα-helixtrans-65.1-42177.8-76.9165.5000110.8E128 E129 E130 A134 I135 L136 A238 V257 L259E128-I132 HydrophobicContact CG-CD1 3.92Å; E128-I132 WeakPolarHBondContact O-CB 3.33Å; E128-I132 WeakPolarHBondContact O-CG1 3.47Å; E128-I132 PolarHBondContact O-N 2.95Å; E129-I132 PolarHBondContact O-N 3.5Å; E130-I132 PolarHBondContact O-N 3.38Å; I132-A134 VanDerWaalsContact C-N 3.27Å; I132-A134 PolarHBondContact O-N 2.86Å; I132-I135 PolarHBondContact O-N 3.03Å; I132-L136 HydrophobicContact CG2-CD1 3.69Å; I132-L136 HydrophobicContact CG2-CG 4.07Å; I132-L136 WeakPolarHBondContact O-CB 3.42Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.19Å; I132-A238 HydrophobicContact CD1-CB 4.12Å; I132-A238 HydrophobicContact CG1-CB 4Å; I132-V257 HydrophobicContact CD1-CG1 3.92Å; I132-V257 HydrophobicContact CG2-CG1 3.64Å; I132-V257 HydrophobicContact CG2-CG2 4.36Å; I132-L259 HydrophobicContact CD1-CD2 3.2Å; I132-L259 HydrophobicContact CD1-CG 4.35Å
133A93.8Very high91.6Very high61 Ų6168.6 Ų68.650%0.50436%0.364SS..Hα-helixtrans-58.8-40175.200000111.6E129 E130 G137E129-A133 VanDerWaalsContact O-CB 3.31Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.97Å; E130-A133 PolarHBondContact O-N 3.42Å; A133-G137 PolarHBondContact O-N 2.59Å
134A94.4Very high92.1Very high68 Ų6869 Ų6956%0.56236%0.36SS*.Hα-helixtrans-64.6-44.2174.500000112.6E130 K131 I132 G137 A138E130-A134 PolarHBondContact O-N 3.33Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 3.48Å; I132-A134 VanDerWaalsContact C-N 3.27Å; I132-A134 PolarHBondContact O-N 2.86Å; A134-G137 PolarHBondContact O-N 2.93Å; A134-A138 PolarHBondContact O-N 3.04Å; A134-A138 VanDerWaalsContact O-N 3.13Å
135I94.8Very high92.6Very high53 Ų5369.5 Ų69.527%0.27238%0.377SS..Hα-helixtrans-63.4-45.6178-64.5163.2000111K131 I132 A138 V236 I242K131-I135 VanDerWaalsContact O-CG1 3.32Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.47Å; I132-I135 PolarHBondContact O-N 3.03Å; I135-A138 PolarHBondContact O-N 2.92Å; I135-V236 HydrophobicContact CB-CG1 4.24Å; I135-V236 HydrophobicContact CD1-CG1 4.43Å; I135-V236 HydrophobicContact CG2-CG1 3.67Å; I135-I242 HydrophobicContact CG2-CD1 4.35Å
136L95.3Very high93Very high0 Ų066.7 Ų66.70%037%0.367CS..Hα-helixtrans-68.5-39.4178.9-65.8178.1000111.6I132 A138 K139 N140 L141 M143 V236 V257 V272I132-L136 HydrophobicContact CG2-CD1 3.69Å; I132-L136 HydrophobicContact CG2-CG 4.07Å; I132-L136 WeakPolarHBondContact O-CB 3.42Å; I132-L136 VanDerWaalsContact O-CG 3.28Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.19Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.2Å; L136-K139 CarbonylContact O-C 3.54Å; L136-K139 WeakPolarHBondContact O-CA 3.25Å; L136-K139 WeakPolarHBondContact O-CB 3.5Å; L136-K139 PolarHBondContact O-N 2.99Å; L136-N140 PolarHBondContact O-N 2.84Å; L136-L141 CarbonylContact C-O 3.55Å; L136-L141 HydrophobicContact CB-CB 4.21Å; L136-L141 VanDerWaalsContact CB-O 3.29Å; L136-L141 WeakPolarHBondContact CB-O 3.49Å; L136-L141 HydrophobicContact CD2-CB 4.32Å; L136-L141 PolarHBondContact O-N 2.67Å; L136-L141 VanDerWaalsContact O-O 3.11Å; L136-M143 HydrophobicContact CD1-CB 3.87Å; L136-V236 HydrophobicContact CD2-CG1 4.33Å; L136-V236 HydrophobicContact CD2-CG2 4.28Å; L136-V257 HydrophobicContact CD1-CG2 3.81Å; L136-V257 HydrophobicContact CD2-CG2 4.22Å; L136-V272 HydrophobicContact CD1-CG1 4.19Å; L136-V272 HydrophobicContact CD2-CG1 3.79Å
137G93.9Very high93.1Very high33 Ų3362.2 Ų62.234%0.3436%0.361SS..Hα-helixtrans-58.3-41.5176.200000112.5A133 A134 K139 N140 L141A133-G137 PolarHBondContact O-N 2.59Å; A134-G137 PolarHBondContact O-N 2.93Å; G137-K139 PolarHBondContact O-N 2.91Å; G137-N140 PolarHBondContact O-N 3.5Å; G137-L141 PolarHBondContact N-O 3.39Å
138A93.8Very high92.8Very high88 Ų8861.7 Ų61.773%0.72737%0.371SS*.Hα-helixtrans-61.7-22.4173.400000113.4A134 I135 L136A134-A138 PolarHBondContact O-N 3.04Å; A134-A138 VanDerWaalsContact O-N 3.13Å; I135-A138 PolarHBondContact O-N 2.92Å; L136-A138 VanDerWaalsContact C-N 3.31Å; L136-A138 PolarHBondContact O-N 3.2Å
139K93.1Very high92.3Very high82 Ų8264.6 Ų64.636%0.35739%0.387SS..THydrogen-bonded Turntrans-96.35.6175-68.2-176.3172.5-124.50113.8L136 G137 L141 E234L136-K139 CarbonylContact O-C 3.54Å; L136-K139 WeakPolarHBondContact O-CA 3.25Å; L136-K139 WeakPolarHBondContact O-CB 3.5Å; L136-K139 PolarHBondContact O-N 2.99Å; G137-K139 PolarHBondContact O-N 2.91Å; K139-L141 HydrophobicContact CB-CD1 3.91Å; K139-L141 HydrophobicContact CB-CG 4.17Å; K139-L141 HydrophobicContact CD-CD1 4.45Å; K139-L141 PolarHBondContact O-N 3.4Å; K139-E234 IonicContact NZ-OE1 2.78Å; K139-E234 IonicContact NZ-OE2 3.39Å; K139-E234 PolarHBondContact NZ-OE2 3.47Å
140N95.1Very high91.6Very high111 Ų11161.6 Ų61.659%0.59438%0.377SS*.THydrogen-bonded Turntrans56.834.2-170.4-57.1-77.6000113.7L136 G137 I275L136-N140 PolarHBondContact O-N 2.84Å; G137-N140 PolarHBondContact O-N 3.5Å; N140-I275 PolarHBondContact O-N 3.31Å
141L96.2Very high91.4Very high32 Ų3257.2 Ų57.217%0.16836%0.356CS..EExtended strand (participates in β ladder)trans-118.5154.6178.7-64.2169.6000110.1L136 G137 K139 T255 V272 K273L136-L141 CarbonylContact C-O 3.55Å; L136-L141 HydrophobicContact CB-CB 4.21Å; L136-L141 VanDerWaalsContact CB-O 3.29Å; L136-L141 WeakPolarHBondContact CB-O 3.49Å; L136-L141 HydrophobicContact CD2-CB 4.32Å; L136-L141 PolarHBondContact O-N 2.67Å; L136-L141 VanDerWaalsContact O-O 3.11Å; G137-L141 PolarHBondContact N-O 3.39Å; K139-L141 HydrophobicContact CB-CD1 3.91Å; K139-L141 HydrophobicContact CB-CG 4.17Å; K139-L141 HydrophobicContact CD-CD1 4.45Å; K139-L141 PolarHBondContact O-N 3.4Å; L141-T255 HydrophobicContact CD1-CG2 4.38Å; L141-V272 HydrophobicContact CB-CB 4.43Å; L141-V272 HydrophobicContact CD1-CG2 4.14Å; L141-V272 HydrophobicContact CD2-CG2 4.22Å; L141-K273 CarbonylContact C-O 3.13Å; L141-K273 WeakPolarHBondContact CA-O 3.3Å
142E95.6Very high91.3Very high68 Ų6853.6 Ų53.632%0.31834%0.342SS..EExtended strand (participates in β ladder)trans-127.8151.8169.161.4178.5-17500110.3V272 K273 I275E142-V272 CarbonylContact O-C 3.37Å; E142-V272 VanDerWaalsContact O-CA 3.28Å; E142-V272 WeakPolarHBondContact O-CA 3.46Å; E142-K273 HydrophobicContact CG-CD 4.2Å; E142-K273 HydrophobicContact CG-CG 3.47Å; E142-K273 VanDerWaalsContact CG-CG 3.47Å; E142-K273 PolarHBondContact N-O 2.86Å; E142-K273 PolarHBondContact O-N 3.05Å; E142-K273 VanDerWaalsContact OE1-CD 3.31Å; E142-K273 WeakPolarHBondContact OE1-CD 3Å; E142-K273 WeakPolarHBondContact OE1-CE 3.25Å; E142-K273 WeakPolarHBondContact OE1-CG 3.32Å; E142-K273 IonicContact OE1-NZ 3.54Å; E142-K273 PolarHBondContact OE1-NZ 3.22Å; E142-I275 HydrophobicContact CB-CG1 4.05Å; E142-I275 HydrophobicContact CG-CG1 4.35Å
143M95.3Very high91.3Very high66 Ų6653.7 Ų53.733%0.32534%0.342SS..EExtended strand (participates in β ladder)trans-70.2137.1179.2-176.6172.660.300110.5L136 V257 L259 N270L136-M143 HydrophobicContact CD1-CB 3.87Å; M143-V257 HydrophobicContact CG-CG2 4.42Å; M143-V257 HydrophobicContact SD-CG1 3.93Å; M143-L259 HydrophobicContact SD-CD1 3.9Å; M143-N270 HydrophobicContact CG-CB 3.92Å; M143-N270 HydrophobicContact SD-CB 4.1Å
144K95.4Very high91.3Very high72 Ų7250.8 Ų50.831%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-114.7113.2172.3179.8173.4170-171.50109.7I146 D159 N270 S271 K273K144-I146 PolarHBondContact O-N 2.81Å; K144-D159 VanDerWaalsContact CD-OD2 3.3Å; K144-D159 WeakPolarHBondContact CD-OD2 3.41Å; K144-D159 WeakPolarHBondContact CE-OD1 3.35Å; K144-D159 WeakPolarHBondContact CE-OD2 3.46Å; K144-D159 IonicContact NZ-OD1 2.94Å; K144-D159 PolarHBondContact NZ-OD1 3.41Å; K144-D159 IonicContact NZ-OD2 3.37Å; K144-D159 PolarHBondContact NZ-OD2 3.4Å; K144-N270 WeakPolarHBondContact O-CB 3.26Å; K144-S271 PolarHBondContact N-O 3.4Å; K144-S271 PolarHBondContact O-N 3.49Å; K144-S271 VanDerWaalsContact O-N 3.09Å; K144-K273 HydrophobicContact CB-CD 4.46Å; K144-K273 HydrophobicContact CB-CG 4.3Å; K144-K273 HydrophobicContact CD-CD 4.41Å
145A92.6Very high91.3Very high83 Ų8351.6 Ų51.669%0.68631%0.307SS*.  trans-63.2132.5-178.900000111.9N270A145-N270 WeakPolarHBondContact CA-OD1 3.38Å
146I92.2Very high91.3Very high20 Ų2049.1 Ų49.110%0.10329%0.294CS..  trans-111.5143.3175.4-64-62.6000108.8K144 C152 R155 A156 D159 H268 N270K144-I146 PolarHBondContact O-N 2.81Å; I146-C152 HydrophobicContact CG2-CB 4.24Å; I146-R155 HydrophobicContact CG2-CB 3.51Å; I146-R155 HydrophobicContact CG2-CG 4.42Å; I146-A156 HydrophobicContact CG1-CB 4.16Å; I146-D159 HydrophobicContact CD1-CB 4.41Å; I146-H268 PolarHBondContact O-CE1 3Å; I146-H268 PolarHBondContact O-NE2 3.07Å; I146-N270 PolarHBondContact N-OD1 3.37Å
147P87.3Confident91.4Very high77 Ų7749.1 Ų49.150%0.529%0.294SS..  trans-57.8138.9177.1-25.835.1000113.5D149P147-D149 VanDerWaalsContact C-N 3.26Å; P147-D149 PolarHBondContact O-N 3.47Å
148A80.4Confident91.5Very high75 Ų7550.4 Ų50.462%0.6229%0.291SS*.  trans-83.261.517700000112C263A148-C263 WeakPolarHBondContact CB-SG 3.4Å
149D79.3Confident91.6Very high63 Ų6349 Ų4934%0.33727%0.271SS..SBendtrans-106.814.9-175.468.5-7.9000113.8P147 H151 R155P147-D149 VanDerWaalsContact C-N 3.26Å; P147-D149 PolarHBondContact O-N 3.47Å; D149-H151 PolarHBondContact O-CD2 2.63Å; D149-H151 VanDerWaalsContact O-CD2 3.26Å; D149-H151 PolarHBondContact O-N 3.24Å; D149-H151 WeakPolarHBondContact OD1-CA 3.44Å; D149-H151 VanDerWaalsContact OD1-CB 3.3Å; D149-H151 WeakPolarHBondContact OD1-CB 3.5Å; D149-H151 IonicContact OD1-CD2 3.77Å; D149-H151 IonicContact OD1-CG 2.61Å; D149-H151 PolarHBondContact OD1-N 3.08Å; D149-H151 IonicContact OD2-CD2 3.91Å; D149-R155 IonicContact OD1-NE 2.57Å; D149-R155 PolarHBondContact OD1-NE 3.36Å; D149-R155 IonicContact OD2-CZ 3.49Å; D149-R155 IonicContact OD2-NE 3.02Å; D149-R155 PolarHBondContact OD2-NE 2.73Å; D149-R155 IonicContact OD2-NH2 3.86Å; D149-R155 PolarHBondContact OD2-NH2 3.09Å
150G76.4Confident91.7Very high15 Ų1547.3 Ų47.316%0.15527%0.265CS..SBendtrans75.3-3-174.400000114.3R171G150-R171 PolarHBondContact O-NH2 2.96Å
151H87.4Confident91.6Very high46 Ų4643.2 Ų43.221%0.21324%0.243CC..  trans-1026.5171-58.2-96.5000112.9D149 M153 Y154 R155 V167 R171 A214D149-H151 PolarHBondContact O-CD2 2.63Å; D149-H151 VanDerWaalsContact O-CD2 3.26Å; D149-H151 PolarHBondContact O-N 3.24Å; D149-H151 WeakPolarHBondContact OD1-CA 3.44Å; D149-H151 VanDerWaalsContact OD1-CB 3.3Å; D149-H151 WeakPolarHBondContact OD1-CB 3.5Å; D149-H151 IonicContact OD1-CD2 3.77Å; D149-H151 IonicContact OD1-CG 2.61Å; D149-H151 PolarHBondContact OD1-N 3.08Å; D149-H151 IonicContact OD2-CD2 3.91Å; H151-M153 VanDerWaalsContact C-N 3.34Å; H151-M153 PolarHBondContact O-N 3.01Å; H151-Y154 PolarHBondContact O-N 3.42Å; H151-R155 HydrophobicContact CB-CG 4.08Å; H151-R155 WeakPolarHBondContact O-CG 3.38Å; H151-R155 PolarHBondContact O-N 3.48Å; H151-V167 HydrophobicContact CB-CG1 4.05Å; H151-V167 WeakPolarHBondContact ND1-CG1 3.46Å; H151-R171 PolarHBondContact ND1-NE 3.23Å; H151-R171 VanDerWaalsContact ND1-NE 3.11Å; H151-R171 PolarHBondContact ND1-NH2 3.44Å; H151-A214 VanDerWaalsContact CE1-CB 3.44Å; H151-A214 WeakPolarHBondContact CE1-CB 3.34Å; H151-A214 VanDerWaalsContact NE2-CB 3.3Å; H151-A214 WeakPolarHBondContact NE2-CB 3.2Å
152C90.3Very high91.3Very high12 Ų1248.9 Ų48.98%0.08128%0.278CS..Hα-helixtrans-49.4-48.1-170.557.60000113.8I146 Y154 R155 A156 H268I146-C152 HydrophobicContact CG2-CB 4.24Å; C152-Y154 PolarHBondContact O-N 3.16Å; C152-R155 PolarHBondContact O-N 3.24Å; C152-A156 VanDerWaalsContact O-CB 3.32Å; C152-A156 WeakPolarHBondContact O-CB 3.43Å; C152-A156 PolarHBondContact O-N 3.04Å; C152-H268 WeakPolarHBondContact CB-CE1 3.31Å; C152-H268 VanDerWaalsContact CB-ND1 3.35Å; C152-H268 WeakPolarHBondContact CB-ND1 3.45Å
153M93.9Very high90.9Very high2 Ų250.4 Ų50.41%0.0128%0.284CS..Hα-helixtrans-58.8-50.2177.7-172.3-163.373.800112.3H151 R155 A156 I157 G217 E221 L222 Y269H151-M153 VanDerWaalsContact C-N 3.34Å; H151-M153 PolarHBondContact O-N 3.01Å; M153-R155 PolarHBondContact O-N 3.44Å; M153-A156 PolarHBondContact O-N 2.89Å; M153-I157 HydrophobicContact CG-CD1 4.35Å; M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 3.1Å; M153-G217 VanDerWaalsContact SD-C 3.52Å; M153-G217 VanDerWaalsContact SD-CA 3.57Å; M153-E221 HydrophobicContact CE-CB 3.66Å; M153-E221 HydrophobicContact CE-CG 4.48Å; M153-E221 HydrophobicContact SD-CB 4.22Å; M153-L222 HydrophobicContact CG-CD2 3.81Å; M153-L222 HydrophobicContact CG-CG 4.47Å; M153-L222 HydrophobicContact SD-CD2 3.61Å; M153-L222 HydrophobicContact SD-CG 3.74Å; M153-Y269 HydrophobicContact CB-CD2 3.69Å; M153-Y269 HydrophobicContact CB-CE2 4.2Å; M153-Y269 HydrophobicContact CB-CG 4.08Å; M153-Y269 HydrophobicContact CG-CD2 4.04Å; M153-Y269 HydrophobicContact CG-CE2 4.2Å; M153-Y269 HydrophobicContact CG-CG 4.25Å
154Y94Very high90.4Very high1 Ų153.4 Ų53.40%0.00431%0.311CS..Hα-helixtrans-68.4-34.6-179.6-67-77000112.5H151 C152 I157 Q158 L170 R171 I210 E221H151-Y154 PolarHBondContact O-N 3.42Å; C152-Y154 PolarHBondContact O-N 3.16Å; Y154-I157 PolarHBondContact O-N 3.19Å; Y154-Q158 VanDerWaalsContact O-CB 3.25Å; Y154-Q158 WeakPolarHBondContact O-CB 3.21Å; Y154-Q158 PolarHBondContact O-N 2.97Å; Y154-L170 HydrophobicContact CD1-CB 3.83Å; Y154-L170 HydrophobicContact CE1-CB 4.48Å; Y154-R171 HydrophobicContact CD1-CG 4Å; Y154-R171 HydrophobicContact CD2-CG 3.72Å; Y154-R171 VanDerWaalsContact CD2-CZ 3.46Å; Y154-R171 HydrophobicContact CE1-CG 3.87Å; Y154-R171 HydrophobicContact CE2-CG 3.6Å; Y154-R171 VanDerWaalsContact CE2-CZ 3.49Å; Y154-R171 HydrophobicContact CG-CG 3.92Å; Y154-I210 WeakPolarHBondContact OH-CG2 3.31Å; Y154-E221 WeakPolarHBondContact OH-CG 3.35Å
155R94.6Very high90.1Very high85 Ų8550.6 Ų50.632%0.32130%0.3SS..Hα-helixtrans-67.9-40.1174.3-73.9-174.6-178.4-73.84.2111.7I146 D149 H151 C152 M153 Q158 D159 V167I146-R155 HydrophobicContact CG2-CB 3.51Å; I146-R155 HydrophobicContact CG2-CG 4.42Å; D149-R155 IonicContact OD1-NE 2.57Å; D149-R155 PolarHBondContact OD1-NE 3.36Å; D149-R155 IonicContact OD2-CZ 3.49Å; D149-R155 IonicContact OD2-NE 3.02Å; D149-R155 PolarHBondContact OD2-NE 2.73Å; D149-R155 IonicContact OD2-NH2 3.86Å; D149-R155 PolarHBondContact OD2-NH2 3.09Å; H151-R155 HydrophobicContact CB-CG 4.08Å; H151-R155 WeakPolarHBondContact O-CG 3.38Å; H151-R155 PolarHBondContact O-N 3.48Å; C152-R155 PolarHBondContact O-N 3.24Å; M153-R155 PolarHBondContact O-N 3.44Å; R155-Q158 WeakPolarHBondContact O-CB 3.4Å; R155-Q158 PolarHBondContact O-N 3.41Å; R155-D159 VanDerWaalsContact O-CB 3.31Å; R155-D159 WeakPolarHBondContact O-CB 3.36Å; R155-D159 PolarHBondContact O-N 3.24Å; R155-V167 HydrophobicContact CG-CG2 3.84Å
156A95.8Very high89.8Confident0 Ų050.1 Ų50.10%029%0.289CS..Hα-helixtrans-64.4-41.7175.800000111.1I146 C152 M153 D159 Q160 L256I146-A156 HydrophobicContact CG1-CB 4.16Å; C152-A156 VanDerWaalsContact O-CB 3.32Å; C152-A156 WeakPolarHBondContact O-CB 3.43Å; C152-A156 PolarHBondContact O-N 3.04Å; M153-A156 PolarHBondContact O-N 2.89Å; A156-D159 PolarHBondContact O-N 3.13Å; A156-Q160 WeakPolarHBondContact O-CG 3.21Å; A156-Q160 PolarHBondContact O-N 3.3Å; A156-L256 HydrophobicContact CB-CD2 3.71Å
157I96.4Very high89.6Confident0 Ų049.4 Ų49.40%029%0.286CS..Hα-helixtrans-62.2-49.8171.9-68.3167000111M153 Y154 D159 Q160 L161 L170 L222 I225 L229 I233 L254 L256M153-I157 HydrophobicContact CG-CD1 4.35Å; M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 3.1Å; Y154-I157 PolarHBondContact O-N 3.19Å; I157-D159 PolarHBondContact O-N 3.48Å; I157-Q160 PolarHBondContact O-N 2.95Å; I157-L161 HydrophobicContact CG2-CD1 4.15Å; I157-L161 HydrophobicContact CG2-CG 4.48Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.35Å; I157-L170 HydrophobicContact CG2-CD1 4.18Å; I157-L222 HydrophobicContact CD1-CD2 4.11Å; I157-I225 HydrophobicContact CD1-CG1 4.43Å; I157-I225 HydrophobicContact CD1-CG2 3.7Å; I157-L229 HydrophobicContact CG2-CD1 3.92Å; I157-I233 HydrophobicContact CD1-CD1 4.48Å; I157-L254 HydrophobicContact CG2-CD1 4.04Å; I157-L256 HydrophobicContact CD1-CD1 4.43Å; I157-L256 HydrophobicContact CG1-CD1 3.88Å; I157-L256 HydrophobicContact CG1-CD2 4.16Å
158Q95.8Very high89.6Confident61 Ų6151.7 Ų51.729%0.28529%0.29SS..Hα-helixtrans-53.6-41.7178.4-177.6-170.917.700111.3Y154 R155 Q160 L161 V165 V167 L170Y154-Q158 VanDerWaalsContact O-CB 3.25Å; Y154-Q158 WeakPolarHBondContact O-CB 3.21Å; Y154-Q158 PolarHBondContact O-N 2.97Å; R155-Q158 WeakPolarHBondContact O-CB 3.4Å; R155-Q158 PolarHBondContact O-N 3.41Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q158-Q160 PolarHBondContact O-N 3.08Å; Q158-L161 PolarHBondContact O-N 2.95Å; Q158-V165 HydrophobicContact CG-CG1 4.23Å; Q158-V165 WeakPolarHBondContact CG-O 3.44Å; Q158-V165 PolarHBondContact NE2-O 2.71Å; Q158-V167 VanDerWaalsContact OE1-CG2 3.31Å; Q158-L170 HydrophobicContact CB-CD1 4.01Å
159D96.3Very high89.9Confident58 Ų5849.8 Ų49.831%0.3127%0.271SS..Hα-helixtrans-68.2-30.1-180-167.372.2000113.7K144 I146 R155 A156 I157 L161 S271K144-D159 VanDerWaalsContact CD-OD2 3.3Å; K144-D159 WeakPolarHBondContact CD-OD2 3.41Å; K144-D159 WeakPolarHBondContact CE-OD1 3.35Å; K144-D159 WeakPolarHBondContact CE-OD2 3.46Å; K144-D159 IonicContact NZ-OD1 2.94Å; K144-D159 PolarHBondContact NZ-OD1 3.41Å; K144-D159 IonicContact NZ-OD2 3.37Å; K144-D159 PolarHBondContact NZ-OD2 3.4Å; I146-D159 HydrophobicContact CD1-CB 4.41Å; R155-D159 VanDerWaalsContact O-CB 3.31Å; R155-D159 WeakPolarHBondContact O-CB 3.36Å; R155-D159 PolarHBondContact O-N 3.24Å; A156-D159 PolarHBondContact O-N 3.13Å; I157-D159 PolarHBondContact O-N 3.48Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-S271 VanDerWaalsContact OD2-CB 3.25Å; D159-S271 WeakPolarHBondContact OD2-CB 3.34Å; D159-S271 PolarHBondContact OD2-OG 3.4Å
160Q96Very high90.4Very high46 Ų4646.8 Ų46.822%0.21526%0.256CS..Hα-helixtrans-79.4-14.7175.7-68.2-67-73.400113.3A156 I157 Q158 L254 T255 L256 S271 V272A156-Q160 WeakPolarHBondContact O-CG 3.21Å; A156-Q160 PolarHBondContact O-N 3.3Å; I157-Q160 PolarHBondContact O-N 2.95Å; Q158-Q160 VanDerWaalsContact C-N 3.34Å; Q158-Q160 PolarHBondContact O-N 3.08Å; Q160-L254 HydrophobicContact CB-CB 4.12Å; Q160-L254 HydrophobicContact CB-CD2 3.89Å; Q160-L254 HydrophobicContact CB-CG 4.43Å; Q160-L254 HydrophobicContact CG-CB 4.45Å; Q160-T255 PolarHBondContact OE1-O 2.96Å; Q160-L256 HydrophobicContact CG-CD2 4.28Å; Q160-S271 PolarHBondContact NE2-OG 3.41Å; Q160-V272 PolarHBondContact NE2-O 3.5Å
161L93.2Very high91Very high25 Ų2546.3 Ų46.313%0.13125%0.249CC..  trans-83.3137.4-177.7-69.2172.6000111.5I157 Q158 D159 F163 V165 L170 L229 L254I157-L161 HydrophobicContact CG2-CD1 4.15Å; I157-L161 HydrophobicContact CG2-CG 4.48Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.35Å; Q158-L161 PolarHBondContact O-N 2.95Å; D159-L161 VanDerWaalsContact C-N 3.34Å; L161-F163 VanDerWaalsContact C-N 3.26Å; L161-F163 HydrophobicContact CB-CE1 4.43Å; L161-F163 HydrophobicContact CB-CZ 4.48Å; L161-F163 HydrophobicContact CD1-CE2 4.14Å; L161-F163 HydrophobicContact CD1-CZ 3.92Å; L161-F163 HydrophobicContact CD2-CE1 3.88Å; L161-F163 HydrophobicContact CD2-CZ 3.93Å; L161-F163 HydrophobicContact CG-CZ 4.33Å; L161-F163 PolarHBondContact O-N 2.63Å; L161-V165 HydrophobicContact CD1-CG1 3.63Å; L161-L170 HydrophobicContact CD1-CD2 4.22Å; L161-L229 HydrophobicContact CD1-CD1 4.41Å; L161-L229 HydrophobicContact CD1-CD2 4.31Å; L161-L229 HydrophobicContact CD2-CD1 4.24Å; L161-L229 HydrophobicContact CD2-CD2 4.39Å; L161-L254 HydrophobicContact CD2-CD1 4.04Å; L161-L254 HydrophobicContact CD2-CD2 4.17Å
162V89.1Confident91.1Very high151 Ų15150.4 Ų50.492%0.91526%0.263SS*.SBendtrans-76.1-13.9179-62.50000113.7
163F86.7Confident91.1Very high101 Ų10155.1 Ų55.144%0.44328%0.28SS..SBendtrans-114.6150.4-178.158.9-94.8000110.8L161 V165 L229L161-F163 VanDerWaalsContact C-N 3.26Å; L161-F163 HydrophobicContact CB-CE1 4.43Å; L161-F163 HydrophobicContact CB-CZ 4.48Å; L161-F163 HydrophobicContact CD1-CE2 4.14Å; L161-F163 HydrophobicContact CD1-CZ 3.92Å; L161-F163 HydrophobicContact CD2-CE1 3.88Å; L161-F163 HydrophobicContact CD2-CZ 3.93Å; L161-F163 HydrophobicContact CG-CZ 4.33Å; L161-F163 PolarHBondContact O-N 2.63Å; F163-V165 HydrophobicContact CD2-CB 4.19Å; F163-V165 HydrophobicContact CE2-CB 3.96Å; F163-V165 HydrophobicContact CE2-CG1 4.17Å; F163-V165 PolarHBondContact O-N 3.02Å; F163-L229 HydrophobicContact CZ-CD2 4.24Å
164S85.9Confident91Very high128 Ų12855 Ų5590%0.89528%0.279SS*.  trans-70123.4177.6-1720000110.8
165V88.1Confident90.8Very high13 Ų1355.1 Ų55.18%0.07928%0.28CS..  trans-142.7148.6173.365.20000108.3Q158 L161 F163 L170Q158-V165 HydrophobicContact CG-CG1 4.23Å; Q158-V165 WeakPolarHBondContact CG-O 3.44Å; Q158-V165 PolarHBondContact NE2-O 2.71Å; L161-V165 HydrophobicContact CD1-CG1 3.63Å; F163-V165 HydrophobicContact CD2-CB 4.19Å; F163-V165 HydrophobicContact CE2-CB 3.96Å; F163-V165 HydrophobicContact CE2-CG1 4.17Å; F163-V165 PolarHBondContact O-N 3.02Å; V165-L170 HydrophobicContact CG1-CD1 4.02Å; V165-L170 HydrophobicContact CG1-CD2 4.11Å; V165-L170 HydrophobicContact CG1-CG 4.06Å; V165-L170 HydrophobicContact CG2-CD2 4.05Å; V165-L170 HydrophobicContact CG2-CG 4Å
166T87.4Confident90.5Very high73 Ų7357.2 Ų57.245%0.44829%0.289SS..  trans-90.8154.8176.474.90000111.3E168 S169 L170T166-E168 WeakPolarHBondContact CB-OE2 3.48Å; T166-E168 PolarHBondContact O-N 3.19Å; T166-E168 PolarHBondContact OG1-OE2 3.1Å; T166-S169 WeakPolarHBondContact O-CB 3.34Å; T166-S169 PolarHBondContact O-N 2.94Å; T166-S169 WeakPolarHBondContact OG1-CB 3.18Å; T166-S169 PolarHBondContact OG1-N 3.23Å; T166-S169 VanDerWaalsContact OG1-N 3.16Å; T166-L170 PolarHBondContact O-N 3.26Å; T166-L170 VanDerWaalsContact O-N 3.11Å
167V88.3Confident90.4Very high6 Ų659.5 Ų59.54%0.03630%0.298CS..Hα-helixtrans-60.1-38.1176.3169.20000111H151 R155 Q158 S169 L170 R171H151-V167 HydrophobicContact CB-CG1 4.05Å; H151-V167 WeakPolarHBondContact ND1-CG1 3.46Å; R155-V167 HydrophobicContact CG-CG2 3.84Å; Q158-V167 VanDerWaalsContact OE1-CG2 3.31Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 3.11Å; V167-L170 PolarHBondContact O-N 2.78Å; V167-R171 WeakPolarHBondContact O-CG 3.42Å; V167-R171 PolarHBondContact O-N 3.39Å
168E86.6Confident90.2Very high125 Ų12559.5 Ų59.558%0.58430%0.298SS*.Hα-helixtrans-62.7-41.3178-59.575.1-164.100111T166 R171 Y172T166-E168 WeakPolarHBondContact CB-OE2 3.48Å; T166-E168 PolarHBondContact O-N 3.19Å; T166-E168 PolarHBondContact OG1-OE2 3.1Å; E168-R171 PolarHBondContact O-N 3.04Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.06Å
169S86.7Confident90Very high34 Ų3461 Ų6124%0.23830%0.301CS..Hα-helixtrans-65.1-43.1176.7-1770000111.6T166 V167 Y172 R173T166-S169 WeakPolarHBondContact O-CB 3.34Å; T166-S169 PolarHBondContact O-N 2.94Å; T166-S169 WeakPolarHBondContact OG1-CB 3.18Å; T166-S169 PolarHBondContact OG1-N 3.23Å; T166-S169 VanDerWaalsContact OG1-N 3.16Å; V167-S169 VanDerWaalsContact C-N 3.33Å; V167-S169 PolarHBondContact O-N 3.11Å; S169-Y172 PolarHBondContact O-N 3.48Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.28Å; S169-R173 WeakPolarHBondContact O-CG 3.44Å; S169-R173 PolarHBondContact O-N 2.79Å
170L90.3Very high89.8Confident1 Ų165.2 Ų65.21%0.00532%0.316CS..Hα-helixtrans-62.4-45.3175.6-67.9174000111.6Y154 I157 Q158 L161 V165 T166 V167 R173 T174 I225Y154-L170 HydrophobicContact CD1-CB 3.83Å; Y154-L170 HydrophobicContact CE1-CB 4.48Å; I157-L170 HydrophobicContact CG2-CD1 4.18Å; Q158-L170 HydrophobicContact CB-CD1 4.01Å; L161-L170 HydrophobicContact CD1-CD2 4.22Å; V165-L170 HydrophobicContact CG1-CD1 4.02Å; V165-L170 HydrophobicContact CG1-CD2 4.11Å; V165-L170 HydrophobicContact CG1-CG 4.06Å; V165-L170 HydrophobicContact CG2-CD2 4.05Å; V165-L170 HydrophobicContact CG2-CG 4Å; T166-L170 PolarHBondContact O-N 3.26Å; T166-L170 VanDerWaalsContact O-N 3.11Å; V167-L170 PolarHBondContact O-N 2.78Å; L170-R173 PolarHBondContact O-N 3.18Å; L170-T174 WeakPolarHBondContact O-CB 3.41Å; L170-T174 PolarHBondContact O-N 3.27Å; L170-T174 PolarHBondContact O-OG1 2.78Å; L170-I225 HydrophobicContact CB-CD1 4.37Å; L170-I225 HydrophobicContact CD2-CD1 3.89Å
171R89.1Confident89.6Confident4 Ų465.7 Ų65.72%0.01532%0.318CS..Hα-helixtrans-60.5-47.8176.4-76.8176.8174.2-83.53.1112G150 H151 Y154 V167 E168 R173 T174 A175 I210 S215G150-R171 PolarHBondContact O-NH2 2.96Å; H151-R171 PolarHBondContact ND1-NE 3.23Å; H151-R171 VanDerWaalsContact ND1-NE 3.11Å; H151-R171 PolarHBondContact ND1-NH2 3.44Å; Y154-R171 HydrophobicContact CD1-CG 4Å; Y154-R171 HydrophobicContact CD2-CG 3.72Å; Y154-R171 VanDerWaalsContact CD2-CZ 3.46Å; Y154-R171 HydrophobicContact CE1-CG 3.87Å; Y154-R171 HydrophobicContact CE2-CG 3.6Å; Y154-R171 VanDerWaalsContact CE2-CZ 3.49Å; Y154-R171 HydrophobicContact CG-CG 3.92Å; V167-R171 WeakPolarHBondContact O-CG 3.42Å; V167-R171 PolarHBondContact O-N 3.39Å; E168-R171 PolarHBondContact O-N 3.04Å; R171-R173 PolarHBondContact O-N 3Å; R171-T174 PolarHBondContact O-N 3.48Å; R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 3.08Å; R171-I210 HydrophobicContact CB-CG2 4.26Å; R171-I210 WeakPolarHBondContact CD-O 3.3Å; R171-I210 HydrophobicContact CG-CG2 4.5Å; R171-I210 PolarHBondContact NH1-O 3.44Å; R171-S215 PolarHBondContact NH1-O 2.99Å; R171-S215 PolarHBondContact NH2-O 3.38Å
172Y89.2Confident89.4Confident132 Ų13265 Ų6552%0.51832%0.315SS..Hα-helixtrans-57.7-50.1177.3175.7-96000111.7E168 S169 T174 A175 Y176E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.06Å; S169-Y172 PolarHBondContact O-N 3.48Å; Y172-T174 VanDerWaalsContact C-N 3.32Å; Y172-T174 PolarHBondContact O-N 2.85Å; Y172-A175 PolarHBondContact O-N 3.27Å; Y172-Y176 VanDerWaalsContact O-CB 3.22Å; Y172-Y176 WeakPolarHBondContact O-CB 3.48Å; Y172-Y176 PolarHBondContact O-N 2.79Å
173R89.4Confident89.3Confident112 Ų11263.4 Ų63.442%0.42330%0.301SS..Hα-helixtrans-63.8-38.4-179.5-69.3174.9179.1-163.2-0.9112.3S169 L170 R171 Y176 Y177 V228S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 VanDerWaalsContact O-CG 3.28Å; S169-R173 WeakPolarHBondContact O-CG 3.44Å; S169-R173 PolarHBondContact O-N 2.79Å; L170-R173 PolarHBondContact O-N 3.18Å; R171-R173 PolarHBondContact O-N 3Å; R173-Y176 PolarHBondContact O-N 2.79Å; R173-Y177 WeakPolarHBondContact O-CB 3.33Å; R173-Y177 PolarHBondContact O-N 2.77Å; R173-V228 HydrophobicContact CB-CG1 3.75Å; R173-V228 HydrophobicContact CB-CG2 4.35Å; R173-V228 HydrophobicContact CG-CG1 4.41Å
174T92.6Very high89.4Confident0 Ų063.1 Ų63.10%030%0.304CS..Hα-helixtrans-60.9-54.9176-55.50000110.5L170 R171 Y172 Y176 Y177 M178 E221 A224 I225L170-T174 WeakPolarHBondContact O-CB 3.41Å; L170-T174 PolarHBondContact O-N 3.27Å; L170-T174 PolarHBondContact O-OG1 2.78Å; R171-T174 PolarHBondContact O-N 3.48Å; Y172-T174 VanDerWaalsContact C-N 3.32Å; Y172-T174 PolarHBondContact O-N 2.85Å; T174-Y176 VanDerWaalsContact C-N 3.32Å; T174-Y176 PolarHBondContact O-N 3.36Å; T174-Y177 PolarHBondContact O-N 3.29Å; T174-M178 HydrophobicContact CG2-SD 4.1Å; T174-M178 VanDerWaalsContact O-CG 3.31Å; T174-M178 WeakPolarHBondContact O-CG 3.26Å; T174-M178 PolarHBondContact O-N 2.83Å; T174-E221 HydrophobicContact CG2-CB 3.93Å; T174-E221 HydrophobicContact CG2-CG 4.12Å; T174-A224 HydrophobicContact CG2-CB 3.8Å; T174-I225 VanDerWaalsContact OG1-CD1 3.24Å; T174-I225 WeakPolarHBondContact OG1-CD1 3.24Å
175A89.3Confident89.4Confident2 Ų257.3 Ų57.32%0.01726%0.263CS..Hα-helixtrans-60.9-40.8178.700000112.4R171 Y172 M178 R179 C207 I210 V211R171-A175 WeakPolarHBondContact O-CB 3.3Å; R171-A175 PolarHBondContact O-N 3.08Å; Y172-A175 PolarHBondContact O-N 3.27Å; A175-M178 PolarHBondContact O-N 3.39Å; A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.19Å; A175-R179 PolarHBondContact O-N 2.92Å; A175-C207 HydrophobicContact CB-CB 4.11Å; A175-C207 VanDerWaalsContact CB-O 3.27Å; A175-C207 WeakPolarHBondContact CB-O 3.3Å; A175-I210 HydrophobicContact CB-CB 4.21Å; A175-I210 HydrophobicContact CB-CG2 4.07Å; A175-V211 HydrophobicContact CB-CG2 3.46Å; A175-V211 VanDerWaalsContact CB-CG2 3.46Å
176Y88.9Confident89.2Confident130 Ų13058.9 Ų58.951%0.5127%0.27SS..Hα-helixtrans-61.9-44.6177.1-179.8-95.3000111.9Y172 R173 T174 R179 K180Y172-Y176 VanDerWaalsContact O-CB 3.22Å; Y172-Y176 WeakPolarHBondContact O-CB 3.48Å; Y172-Y176 PolarHBondContact O-N 2.79Å; R173-Y176 PolarHBondContact O-N 2.79Å; T174-Y176 VanDerWaalsContact C-N 3.32Å; T174-Y176 PolarHBondContact O-N 3.36Å; Y176-R179 PolarHBondContact O-N 3.15Å; Y176-K180 PolarHBondContact O-N 3.43Å; Y176-K180 VanDerWaalsContact O-N 3.15Å
177Y93.1Very high89Confident47 Ų4759.4 Ų59.418%0.18428%0.275CS..Hα-helixtrans-61.5-49.1176.1-172.1-86.8000111.1R173 T174 R179 K180 H181 F185 A224 H227 V228R173-Y177 WeakPolarHBondContact O-CB 3.33Å; R173-Y177 PolarHBondContact O-N 2.77Å; T174-Y177 PolarHBondContact O-N 3.29Å; Y177-R179 VanDerWaalsContact C-N 3.28Å; Y177-R179 PolarHBondContact O-N 2.83Å; Y177-K180 PolarHBondContact O-N 2.87Å; Y177-H181 AromaticContact CD1-CD2 3.95Å; Y177-H181 AromaticContact CD2-CD2 3.85Å; Y177-H181 HydrophobicContact CE1-CB 4.17Å; Y177-H181 AromaticContact CE1-CD2 3.68Å; Y177-H181 AromaticContact CE1-CG 3.97Å; Y177-H181 AromaticContact CE2-CD2 3.59Å; Y177-H181 AromaticContact CE2-NE2 3.68Å; Y177-H181 AromaticContact CZ-CD2 3.48Å; Y177-H181 VanDerWaalsContact CZ-CD2 3.48Å; Y177-H181 AromaticContact CZ-CG 3.99Å; Y177-H181 AromaticContact CZ-NE2 3.82Å; Y177-H181 WeakPolarHBondContact O-CB 2.99Å; Y177-H181 PolarHBondContact O-CD2 2.82Å; Y177-H181 VanDerWaalsContact O-CD2 3.31Å; Y177-H181 PolarHBondContact O-N 2.86Å; Y177-F185 AromaticContact CD1-CE2 3.85Å; Y177-F185 HydrophobicContact CD1-CE2 3.85Å; Y177-F185 AromaticContact CD1-CZ 3.87Å; Y177-F185 HydrophobicContact CD1-CZ 3.87Å; Y177-F185 AromaticContact CE1-CE2 3.86Å; Y177-F185 HydrophobicContact CE1-CE2 3.86Å; Y177-F185 AromaticContact CE1-CZ 3.87Å; Y177-F185 HydrophobicContact CE1-CZ 3.87Å; Y177-A224 HydrophobicContact CD1-CB 4.08Å; Y177-H227 HydrophobicContact CD1-CB 4.33Å; Y177-H227 HydrophobicContact CD2-CB 4.31Å; Y177-H227 HydrophobicContact CE1-CB 3.69Å; Y177-H227 AromaticContact CE1-CD2 3.59Å; Y177-H227 AromaticContact CE1-CG 3.88Å; Y177-H227 HydrophobicContact CE2-CB 3.65Å; Y177-H227 AromaticContact CZ-CD2 3.76Å; Y177-H227 AromaticContact CZ-CG 3.62Å; Y177-H227 WeakPolarHBondContact OH-CB 3.45Å; Y177-H227 PolarHBondContact OH-CD2 2.95Å; Y177-H227 VanDerWaalsContact OH-CG 3.27Å; Y177-V228 HydrophobicContact CD2-CG2 4.04Å; Y177-V228 HydrophobicContact CG-CG2 3.99Å
178M92.8Very high88.7Confident0 Ų066.2 Ų66.20%031%0.305CS..Hα-helixtrans-56.3-40.9178.2-69177.478.900112.4T174 A175 K180 H181 I182 F185 F203 Y206 I210 L220 A224T174-M178 HydrophobicContact CG2-SD 4.1Å; T174-M178 VanDerWaalsContact O-CG 3.31Å; T174-M178 WeakPolarHBondContact O-CG 3.26Å; T174-M178 PolarHBondContact O-N 2.83Å; A175-M178 PolarHBondContact O-N 3.39Å; M178-K180 PolarHBondContact O-N 3.22Å; M178-H181 CarbonylContact O-C 3.05Å; M178-H181 PolarHBondContact O-N 2.93Å; M178-I182 WeakPolarHBondContact O-CA 3.2Å; M178-I182 PolarHBondContact O-N 3.27Å; M178-I182 VanDerWaalsContact O-N 3.16Å; M178-F185 HydrophobicContact CB-CD2 4.29Å; M178-F185 HydrophobicContact CB-CE2 4.42Å; M178-F185 HydrophobicContact CE-CD1 4.08Å; M178-F185 HydrophobicContact CE-CG 4.34Å; M178-F185 HydrophobicContact CG-CD1 4.31Å; M178-F185 HydrophobicContact CG-CD2 4.21Å; M178-F185 HydrophobicContact CG-CE1 4.15Å; M178-F185 HydrophobicContact CG-CE2 4.09Å; M178-F185 HydrophobicContact CG-CG 4.36Å; M178-F185 HydrophobicContact CG-CZ 4.07Å; M178-F203 HydrophobicContact CB-CE1 4.14Å; M178-F203 HydrophobicContact CB-CZ 3.92Å; M178-F203 HydrophobicContact CE-CE2 3.93Å; M178-F203 HydrophobicContact CE-CZ 3.72Å; M178-F203 WeakPolarHBondContact O-CE1 3.35Å; M178-Y206 HydrophobicContact CE-CD1 4.29Å; M178-Y206 HydrophobicContact CE-CE1 3.84Å; M178-I210 HydrophobicContact CE-CD1 4.28Å; M178-I210 HydrophobicContact SD-CD1 3.63Å; M178-L220 HydrophobicContact CE-CB 3.89Å; M178-A224 HydrophobicContact CG-CB 3.45Å; M178-A224 VanDerWaalsContact CG-CB 3.45Å; M178-A224 HydrophobicContact SD-CB 4.02Å
179R91Very high88.3Confident93 Ų9361.6 Ų61.635%0.35128%0.283SS..Hα-helixtrans-65.6-34.3176.1-75.8177.3170.5-171.1-5.8114.4A175 Y176 Y177 H181 I182 L204 C207 D208A175-R179 VanDerWaalsContact O-CG 3.3Å; A175-R179 WeakPolarHBondContact O-CG 3.19Å; A175-R179 PolarHBondContact O-N 2.92Å; Y176-R179 PolarHBondContact O-N 3.15Å; Y177-R179 VanDerWaalsContact C-N 3.28Å; Y177-R179 PolarHBondContact O-N 2.83Å; R179-H181 VanDerWaalsContact C-N 3.29Å; R179-I182 WeakPolarHBondContact O-CD1 3.08Å; R179-I182 VanDerWaalsContact O-CG1 3.27Å; R179-I182 WeakPolarHBondContact O-CG1 3.49Å; R179-L204 HydrophobicContact CG-CD2 3.96Å; R179-L204 PolarHBondContact NH2-O 3.46Å; R179-C207 HydrophobicContact CG-CB 3.73Å; R179-D208 IonicContact CZ-OD1 2.71Å; R179-D208 IonicContact NH1-OD1 3.05Å; R179-D208 IonicContact NH2-OD1 2.98Å; R179-D208 PolarHBondContact NH2-OD1 3.25Å; R179-D208 IonicContact NH2-OD2 3.95Å; R179-D208 PolarHBondContact NH2-OD2 2.9Å
180K92.6Very high87.3Confident147 Ų14764.4 Ų64.464%0.63930%0.298SS*.Hα-helixtrans-76.4-25178.8-170.1177.6178.9-175.40111.7Y176 Y177 M178Y176-K180 PolarHBondContact O-N 3.43Å; Y176-K180 VanDerWaalsContact O-N 3.15Å; Y177-K180 PolarHBondContact O-N 2.87Å; M178-K180 PolarHBondContact O-N 3.22Å
181H92.3Very high85.6Confident55 Ų5566.5 Ų66.526%0.25531%0.308SS..THydrogen-bonded Turntrans-119.736.4-172.4-67.8-77.8000111.9Y177 M178 R179 D183 D184 F185Y177-H181 AromaticContact CD1-CD2 3.95Å; Y177-H181 AromaticContact CD2-CD2 3.85Å; Y177-H181 HydrophobicContact CE1-CB 4.17Å; Y177-H181 AromaticContact CE1-CD2 3.68Å; Y177-H181 AromaticContact CE1-CG 3.97Å; Y177-H181 AromaticContact CE2-CD2 3.59Å; Y177-H181 AromaticContact CE2-NE2 3.68Å; Y177-H181 AromaticContact CZ-CD2 3.48Å; Y177-H181 VanDerWaalsContact CZ-CD2 3.48Å; Y177-H181 AromaticContact CZ-CG 3.99Å; Y177-H181 AromaticContact CZ-NE2 3.82Å; Y177-H181 WeakPolarHBondContact O-CB 2.99Å; Y177-H181 PolarHBondContact O-CD2 2.82Å; Y177-H181 VanDerWaalsContact O-CD2 3.31Å; Y177-H181 PolarHBondContact O-N 2.86Å; M178-H181 CarbonylContact O-C 3.05Å; M178-H181 PolarHBondContact O-N 2.93Å; R179-H181 VanDerWaalsContact C-N 3.29Å; H181-D183 PolarHBondContact O-N 2.92Å; H181-D183 VanDerWaalsContact O-N 3.1Å; H181-D184 HydrophobicContact CB-CB 4.49Å; H181-D184 IonicContact CG-OD2 3.65Å; H181-D184 IonicContact ND1-OD2 3.39Å; H181-D184 WeakPolarHBondContact O-CB 3.44Å; H181-D184 PolarHBondContact O-N 2.96Å; H181-F185 HydrophobicContact CB-CD2 4.22Å; H181-F185 HydrophobicContact CB-CE2 3.86Å; H181-F185 WeakPolarHBondContact O-CD2 3.01Å
182I89.1Confident83.5Confident12 Ų1272.4 Ų72.46%0.06235%0.347CS..Hα-helixtrans-51.4-42.2-171.7-69.8166000112M178 R179 D184 F185 L186 R200 F203 L204M178-I182 WeakPolarHBondContact O-CA 3.2Å; M178-I182 PolarHBondContact O-N 3.27Å; M178-I182 VanDerWaalsContact O-N 3.16Å; R179-I182 WeakPolarHBondContact O-CD1 3.08Å; R179-I182 VanDerWaalsContact O-CG1 3.27Å; R179-I182 WeakPolarHBondContact O-CG1 3.49Å; I182-D184 PolarHBondContact O-N 3.32Å; I182-F185 PolarHBondContact O-N 3.4Å; I182-L186 HydrophobicContact CG2-CB 3.98Å; I182-L186 HydrophobicContact CG2-CD2 4.15Å; I182-L186 VanDerWaalsContact O-CB 3.23Å; I182-L186 WeakPolarHBondContact O-CB 3.33Å; I182-L186 PolarHBondContact O-N 3.33Å; I182-R200 HydrophobicContact CD1-CG 4.27Å; I182-R200 HydrophobicContact CG2-CG 4.3Å; I182-F203 HydrophobicContact CB-CD1 4.46Å; I182-F203 HydrophobicContact CB-CE1 4.41Å; I182-F203 HydrophobicContact CG1-CD1 3.91Å; I182-F203 HydrophobicContact CG1-CE1 3.89Å; I182-F203 HydrophobicContact CG2-CD1 4.11Å; I182-F203 HydrophobicContact CG2-CE1 4.44Å; I182-L204 HydrophobicContact CD1-CD2 3.76Å; I182-L204 HydrophobicContact CD1-CG 4.43Å
183D86.1Confident81.3Confident116 Ų11674.2 Ų74.262%0.6236%0.36SS*.Hα-helixtrans-65.4-22-175-55-33.4000112.6H181 P187H181-D183 PolarHBondContact O-N 2.92Å; H181-D183 VanDerWaalsContact O-N 3.1Å; D183-P187 WeakPolarHBondContact O-CD 3.36Å; D183-P187 WeakPolarHBondContact O-CG 3.42Å
184D87.8Confident79.4Confident96 Ų9670.9 Ų70.951%0.51336%0.357SS..Hα-helixtrans-80.8-23.7176.2-58.9-28.9000112.4H181 I182 F188H181-D184 HydrophobicContact CB-CB 4.49Å; H181-D184 IonicContact CG-OD2 3.65Å; H181-D184 IonicContact ND1-OD2 3.39Å; H181-D184 WeakPolarHBondContact O-CB 3.44Å; H181-D184 PolarHBondContact O-N 2.96Å; I182-D184 PolarHBondContact O-N 3.32Å; D184-F188 WeakPolarHBondContact O-CD2 3.29Å
185F87.1Confident77.1Confident6 Ų674.2 Ų74.23%0.02639%0.391CS..Hα-helixtrans-108.5-36.4-174.3-66.6-81.5000113.3Y177 M178 H181 I182 P187 F188 F189 F203 L220 R223 A224Y177-F185 AromaticContact CD1-CE2 3.85Å; Y177-F185 HydrophobicContact CD1-CE2 3.85Å; Y177-F185 AromaticContact CD1-CZ 3.87Å; Y177-F185 HydrophobicContact CD1-CZ 3.87Å; Y177-F185 AromaticContact CE1-CE2 3.86Å; Y177-F185 HydrophobicContact CE1-CE2 3.86Å; Y177-F185 AromaticContact CE1-CZ 3.87Å; Y177-F185 HydrophobicContact CE1-CZ 3.87Å; M178-F185 HydrophobicContact CB-CD2 4.29Å; M178-F185 HydrophobicContact CB-CE2 4.42Å; M178-F185 HydrophobicContact CE-CD1 4.08Å; M178-F185 HydrophobicContact CE-CG 4.34Å; M178-F185 HydrophobicContact CG-CD1 4.31Å; M178-F185 HydrophobicContact CG-CD2 4.21Å; M178-F185 HydrophobicContact CG-CE1 4.15Å; M178-F185 HydrophobicContact CG-CE2 4.09Å; M178-F185 HydrophobicContact CG-CG 4.36Å; M178-F185 HydrophobicContact CG-CZ 4.07Å; H181-F185 HydrophobicContact CB-CD2 4.22Å; H181-F185 HydrophobicContact CB-CE2 3.86Å; H181-F185 WeakPolarHBondContact O-CD2 3.01Å; I182-F185 PolarHBondContact O-N 3.4Å; F185-P187 VanDerWaalsContact C-CD 3.42Å; F185-F188 CarbonylContact O-C 3.58Å; F185-F188 PolarHBondContact O-N 3.29Å; F185-F189 PolarHBondContact O-N 3.22Å; F185-F203 HydrophobicContact CB-CE1 4.41Å; F185-F203 HydrophobicContact CB-CE2 3.62Å; F185-F203 HydrophobicContact CB-CZ 3.37Å; F185-F203 HydrophobicContact CD2-CZ 4.44Å; F185-F203 HydrophobicContact CG-CZ 4.06Å; F185-L220 HydrophobicContact CD1-CB 4.43Å; F185-L220 HydrophobicContact CD1-CD2 4.21Å; F185-L220 WeakPolarHBondContact CE1-O 3.46Å; F185-R223 HydrophobicContact CE1-CB 4.25Å; F185-R223 HydrophobicContact CE1-CG 4.16Å; F185-A224 HydrophobicContact CE1-CB 3.86Å; F185-A224 HydrophobicContact CZ-CB 3.66Å
186L83.4Confident75.2Confident45 Ų4579.9 Ų79.924%0.23642%0.421CS..G310 helixtrans-56.4-39.7-175.5-17366.8000113.2I182 F188 F189 F203I182-L186 HydrophobicContact CG2-CB 3.98Å; I182-L186 HydrophobicContact CG2-CD2 4.15Å; I182-L186 VanDerWaalsContact O-CB 3.23Å; I182-L186 WeakPolarHBondContact O-CB 3.33Å; I182-L186 PolarHBondContact O-N 3.33Å; L186-F188 PolarHBondContact O-N 2.94Å; L186-F188 VanDerWaalsContact O-N 3.17Å; L186-F189 HydrophobicContact CD1-CD1 4.34Å; L186-F189 WeakPolarHBondContact O-CB 3.19Å; L186-F189 PolarHBondContact O-N 3.49Å; L186-F203 HydrophobicContact CD1-CB 3.82Å; L186-F203 HydrophobicContact CD1-CD2 4.39Å; L186-F203 HydrophobicContact CD1-CG 4.24Å
187P83.3Confident73.6Confident84 Ų8482.8 Ų82.855%0.54544%0.436SS..G310 helixtrans-61-25.2176.6-24.935.8000114.2D183 F185D183-P187 WeakPolarHBondContact O-CD 3.36Å; D183-P187 WeakPolarHBondContact O-CG 3.42Å; F185-P187 VanDerWaalsContact C-CD 3.42Å
188F81.6Confident72.3Confident150 Ų15083.6 Ų83.666%0.65844%0.44SS*.G310 helixtrans-99.6-7.7179.1-54.9-75.8000112.5D184 F185 L186 T190 L220D184-F188 WeakPolarHBondContact O-CD2 3.29Å; F185-F188 CarbonylContact O-C 3.58Å; F185-F188 PolarHBondContact O-N 3.29Å; L186-F188 PolarHBondContact O-N 2.94Å; L186-F188 VanDerWaalsContact O-N 3.17Å; F188-T190 VanDerWaalsContact C-N 3.34Å; F188-T190 PolarHBondContact O-N 3.13Å; F188-T190 VanDerWaalsContact O-N 3.16Å; F188-L220 HydrophobicContact CB-CD2 3.79Å
189F79.6Confident71.6Confident28 Ų2886.5 Ų86.512%0.12346%0.458CS..  trans-83.482.1169.7-170.5-112.5000107.7F185 L186 Y198 D202 F203 Y206 L220F185-F189 PolarHBondContact O-N 3.22Å; L186-F189 HydrophobicContact CD1-CD1 4.34Å; L186-F189 WeakPolarHBondContact O-CB 3.19Å; L186-F189 PolarHBondContact O-N 3.49Å; F189-Y198 VanDerWaalsContact CD1-CB 3.44Å; F189-Y198 HydrophobicContact CD1-CD1 4.36Å; F189-Y198 AromaticContact CD1-CD2 3.7Å; F189-Y198 HydrophobicContact CD1-CD2 3.7Å; F189-Y198 HydrophobicContact CD1-CE2 4.41Å; F189-Y198 AromaticContact CD1-CG 3.61Å; F189-Y198 HydrophobicContact CD1-CG 3.61Å; F189-Y198 AromaticContact CE1-CD1 3.78Å; F189-Y198 HydrophobicContact CE1-CD1 3.78Å; F189-Y198 AromaticContact CE1-CD2 3.87Å; F189-Y198 HydrophobicContact CE1-CD2 3.87Å; F189-Y198 HydrophobicContact CE1-CE1 4.36Å; F189-Y198 HydrophobicContact CE1-CE2 4.35Å; F189-Y198 AromaticContact CE1-CG 3.49Å; F189-Y198 HydrophobicContact CE1-CG 3.49Å; F189-Y198 VanDerWaalsContact CE1-CG 3.49Å; F189-Y198 HydrophobicContact CG-CD2 4.28Å; F189-Y198 HydrophobicContact CZ-CD1 4.43Å; F189-Y198 HydrophobicContact CZ-CG 4.4Å; F189-Y198 WeakPolarHBondContact O-CD2 3.34Å; F189-D202 HydrophobicContact CE1-CB 4.24Å; F189-F203 HydrophobicContact CB-CD2 3.89Å; F189-F203 HydrophobicContact CB-CE2 4.26Å; F189-F203 HydrophobicContact CD1-CB 4.12Å; F189-F203 AromaticContact CD1-CD2 3.83Å; F189-F203 HydrophobicContact CD1-CD2 3.83Å; F189-F203 HydrophobicContact CD1-CG 4.49Å; F189-F203 HydrophobicContact CD2-CD2 4.01Å; F189-F203 HydrophobicContact CD2-CE2 4.44Å; F189-F203 HydrophobicContact CE1-CB 4.19Å; F189-F203 HydrophobicContact CE1-CD2 4.33Å; F189-F203 AromaticContact CG-CD2 3.66Å; F189-F203 HydrophobicContact CG-CD2 3.66Å; F189-F203 HydrophobicContact CG-CE2 4.31Å; F189-Y206 HydrophobicContact CD2-CD1 4.33Å; F189-Y206 AromaticContact CE2-CD1 3.79Å; F189-Y206 HydrophobicContact CE2-CD1 3.79Å; F189-Y206 HydrophobicContact CE2-CD2 4.01Å; F189-Y206 HydrophobicContact CE2-CE1 4.3Å; F189-Y206 AromaticContact CE2-CG 3.61Å; F189-Y206 HydrophobicContact CE2-CG 3.61Å; F189-Y206 HydrophobicContact CZ-CD1 4.46Å; F189-Y206 HydrophobicContact CZ-CD2 4.44Å; F189-Y206 AromaticContact CZ-CG 3.97Å; F189-Y206 HydrophobicContact CZ-CG 3.97Å; F189-L220 HydrophobicContact CB-CD1 4.46Å; F189-L220 HydrophobicContact CD2-CD1 4.08Å
190T65.8Low71Confident92 Ų9288.1 Ų88.156%0.56446%0.464SS*.  trans-131.5147.8-179.360.10000112.5F188 Y198F188-T190 VanDerWaalsContact C-N 3.34Å; F188-T190 PolarHBondContact O-N 3.13Å; F188-T190 VanDerWaalsContact O-N 3.16Å; T190-Y198 VanDerWaalsContact C-CE2 3.44Å
191E54.5Low70.4Confident45 Ų4586.9 Ų86.921%0.2146%0.46CS..  trans-96.2120.5174.4-158.6158.8-104.200109.3R98 E193 A194 Y198R98-E191 IonicContact CZ-OE1 2.77Å; R98-E191 IonicContact NE-OE1 3.47Å; R98-E191 IonicContact NH1-OE1 3.3Å; R98-E191 PolarHBondContact NH1-OE1 3.21Å; R98-E191 IonicContact NH2-OE1 2.98Å; R98-E191 PolarHBondContact NH2-OE1 2.97Å; R98-E191 IonicContact NH2-OE2 3.52Å; E191-E193 PolarHBondContact O-N 3.22Å; E191-E193 VanDerWaalsContact O-N 3.13Å; E191-A194 HydrophobicContact CB-CB 4.44Å; E191-A194 HydrophobicContact CG-CB 4.22Å; E191-A194 WeakPolarHBondContact OE2-CB 3.22Å; E191-Y198 HydrophobicContact CB-CE2 3.7Å; E191-Y198 WeakPolarHBondContact CB-OH 3.08Å; E191-Y198 VanDerWaalsContact CD-OH 3.25Å; E191-Y198 VanDerWaalsContact N-CE2 3.27Å; E191-Y198 PolarHBondContact OE1-OH 3.38Å
192P44.5Very low70Confident129 Ų12985.9 Ų85.984%0.83846%0.457SS*.THydrogen-bonded Turntrans-64.1-19.8-176.3-22.832.3000114.7
193E43Very low69.7Low170 Ų17085.3 Ų85.379%0.79445%0.454SS*.THydrogen-bonded Turntrans-116.7-10.2-163.5-64.6-178.416600115.4E191E191-E193 PolarHBondContact O-N 3.22Å; E191-E193 VanDerWaalsContact O-N 3.13Å
194A49.7Very low69.7Low42 Ų4282.7 Ų82.735%0.34744%0.439SS..THydrogen-bonded Turntrans-113.2-7.5-166.400000116.3E191 N196E191-A194 HydrophobicContact CB-CB 4.44Å; E191-A194 HydrophobicContact CG-CB 4.22Å; E191-A194 WeakPolarHBondContact OE2-CB 3.22Å; A194-N196 PolarHBondContact O-N 3.36Å
195G43.4Very low69.5Low69 Ų6982.5 Ų82.571%0.71143%0.431SS*.  trans60.54.2-178.700000115.3
196N49.6Very low69.4Low122 Ų12284 Ų8465%0.65244%0.437SS*.PPolyproline II helixtrans-91.5121.8175.6-76.5-28.5000109A194 Y198A194-N196 PolarHBondContact O-N 3.36Å; N196-Y198 PolarHBondContact O-N 2.95Å
197F54.7Low69.6Low190 Ų19081.8 Ų81.883%0.83343%0.426SS*.PPolyproline II helixtrans-67.3127.7167-61.5-80.4000108.4T199F197-T199 PolarHBondContact O-N 3.38Å
198Y65.5Low69.6Low65 Ų6580.5 Ų80.526%0.25541%0.414SS..PPolyproline II helixtrans-67.8136.1172.9-74.3-68.6000109.7F189 T190 E191 N196 D202F189-Y198 VanDerWaalsContact CD1-CB 3.44Å; F189-Y198 HydrophobicContact CD1-CD1 4.36Å; F189-Y198 AromaticContact CD1-CD2 3.7Å; F189-Y198 HydrophobicContact CD1-CD2 3.7Å; F189-Y198 HydrophobicContact CD1-CE2 4.41Å; F189-Y198 AromaticContact CD1-CG 3.61Å; F189-Y198 HydrophobicContact CD1-CG 3.61Å; F189-Y198 AromaticContact CE1-CD1 3.78Å; F189-Y198 HydrophobicContact CE1-CD1 3.78Å; F189-Y198 AromaticContact CE1-CD2 3.87Å; F189-Y198 HydrophobicContact CE1-CD2 3.87Å; F189-Y198 HydrophobicContact CE1-CE1 4.36Å; F189-Y198 HydrophobicContact CE1-CE2 4.35Å; F189-Y198 AromaticContact CE1-CG 3.49Å; F189-Y198 HydrophobicContact CE1-CG 3.49Å; F189-Y198 VanDerWaalsContact CE1-CG 3.49Å; F189-Y198 HydrophobicContact CG-CD2 4.28Å; F189-Y198 HydrophobicContact CZ-CD1 4.43Å; F189-Y198 HydrophobicContact CZ-CG 4.4Å; F189-Y198 WeakPolarHBondContact O-CD2 3.34Å; T190-Y198 VanDerWaalsContact C-CE2 3.44Å; E191-Y198 HydrophobicContact CB-CE2 3.7Å; E191-Y198 WeakPolarHBondContact CB-OH 3.08Å; E191-Y198 VanDerWaalsContact CD-OH 3.25Å; E191-Y198 VanDerWaalsContact N-CE2 3.27Å; E191-Y198 PolarHBondContact OE1-OH 3.38Å; N196-Y198 PolarHBondContact O-N 2.95Å; Y198-D202 HydrophobicContact CD1-CB 4.03Å
199T78.6Confident69.7Low61 Ų6173.6 Ų73.637%0.37438%0.384SS..PPolyproline II helixtrans-80.116417762.30000110.8F197 E201 D202 F203F197-T199 PolarHBondContact O-N 3.38Å; T199-E201 WeakPolarHBondContact CB-OE2 3.44Å; T199-E201 PolarHBondContact O-N 3.4Å; T199-D202 PolarHBondContact N-OD2 3.13Å; T199-D202 WeakPolarHBondContact O-CB 3.27Å; T199-D202 PolarHBondContact O-N 3.46Å; T199-D202 VanDerWaalsContact O-N 3.12Å; T199-D202 PolarHBondContact OG1-N 3.03Å; T199-D202 PolarHBondContact OG1-OD2 3.41Å; T199-F203 PolarHBondContact O-N 3.34Å
200R78.8Confident70Confident127 Ų12772.3 Ų72.348%0.47938%0.378SS..Hα-helixtrans-57.2-37.8172.6-168.8175.8-145.3176.810.3111I182 D202 F203 L204I182-R200 HydrophobicContact CD1-CG 4.27Å; I182-R200 HydrophobicContact CG2-CG 4.3Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 2.9Å; R200-F203 PolarHBondContact O-N 3.04Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 2.97Å
201E80.3Confident70.8Confident120 Ų12069.7 Ų69.756%0.56136%0.362SS*.Hα-helixtrans-65.1-37.4178.7-64.766-142.100111.6T199 F203 L204 R205T199-E201 WeakPolarHBondContact CB-OE2 3.44Å; T199-E201 PolarHBondContact O-N 3.4Å; E201-F203 VanDerWaalsContact C-N 3.35Å; E201-L204 PolarHBondContact O-N 2.93Å; E201-R205 WeakPolarHBondContact O-CB 3.42Å; E201-R205 PolarHBondContact O-N 3.25Å; E201-R205 VanDerWaalsContact O-N 3.09Å
202D82.6Confident71.8Confident35 Ų3575.5 Ų75.519%0.18738%0.383CS..Hα-helixtrans-65.7-39.6175-63.5-45000111.8F189 Y198 T199 R200 R205 Y206F189-D202 HydrophobicContact CE1-CB 4.24Å; Y198-D202 HydrophobicContact CD1-CB 4.03Å; T199-D202 PolarHBondContact N-OD2 3.13Å; T199-D202 WeakPolarHBondContact O-CB 3.27Å; T199-D202 PolarHBondContact O-N 3.46Å; T199-D202 VanDerWaalsContact O-N 3.12Å; T199-D202 PolarHBondContact OG1-N 3.03Å; T199-D202 PolarHBondContact OG1-OD2 3.41Å; R200-D202 VanDerWaalsContact C-N 3.34Å; R200-D202 PolarHBondContact O-N 2.9Å; D202-R205 PolarHBondContact O-N 3.4Å; D202-R205 IonicContact OD1-CZ 3.3Å; D202-R205 VanDerWaalsContact OD1-CZ 3.23Å; D202-R205 IonicContact OD1-NH1 3.58Å; D202-R205 PolarHBondContact OD1-NH1 3.42Å; D202-R205 IonicContact OD1-NH2 3.85Å; D202-R205 PolarHBondContact OD1-NH2 2.96Å; D202-Y206 PolarHBondContact O-N 3.33Å
203F83.8Confident73Confident0 Ų071.9 Ų71.90%035%0.353CS..Hα-helixtrans-67.6-42.9176-174-94.6000112.2M178 I182 F185 L186 F189 T199 R200 E201 R205 Y206 C207M178-F203 HydrophobicContact CB-CE1 4.14Å; M178-F203 HydrophobicContact CB-CZ 3.92Å; M178-F203 HydrophobicContact CE-CE2 3.93Å; M178-F203 HydrophobicContact CE-CZ 3.72Å; M178-F203 WeakPolarHBondContact O-CE1 3.35Å; I182-F203 HydrophobicContact CB-CD1 4.46Å; I182-F203 HydrophobicContact CB-CE1 4.41Å; I182-F203 HydrophobicContact CG1-CD1 3.91Å; I182-F203 HydrophobicContact CG1-CE1 3.89Å; I182-F203 HydrophobicContact CG2-CD1 4.11Å; I182-F203 HydrophobicContact CG2-CE1 4.44Å; F185-F203 HydrophobicContact CB-CE1 4.41Å; F185-F203 HydrophobicContact CB-CE2 3.62Å; F185-F203 HydrophobicContact CB-CZ 3.37Å; F185-F203 HydrophobicContact CD2-CZ 4.44Å; F185-F203 HydrophobicContact CG-CZ 4.06Å; L186-F203 HydrophobicContact CD1-CB 3.82Å; L186-F203 HydrophobicContact CD1-CD2 4.39Å; L186-F203 HydrophobicContact CD1-CG 4.24Å; F189-F203 HydrophobicContact CB-CD2 3.89Å; F189-F203 HydrophobicContact CB-CE2 4.26Å; F189-F203 HydrophobicContact CD1-CB 4.12Å; F189-F203 AromaticContact CD1-CD2 3.83Å; F189-F203 HydrophobicContact CD1-CD2 3.83Å; F189-F203 HydrophobicContact CD1-CG 4.49Å; F189-F203 HydrophobicContact CD2-CD2 4.01Å; F189-F203 HydrophobicContact CD2-CE2 4.44Å; F189-F203 HydrophobicContact CE1-CB 4.19Å; F189-F203 HydrophobicContact CE1-CD2 4.33Å; F189-F203 AromaticContact CG-CD2 3.66Å; F189-F203 HydrophobicContact CG-CD2 3.66Å; F189-F203 HydrophobicContact CG-CE2 4.31Å; T199-F203 PolarHBondContact O-N 3.34Å; R200-F203 PolarHBondContact O-N 3.04Å; E201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 VanDerWaalsContact C-N 3.27Å; F203-R205 PolarHBondContact O-N 2.97Å; F203-Y206 WeakPolarHBondContact O-CA 3.37Å; F203-Y206 VanDerWaalsContact O-CB 3.29Å; F203-Y206 WeakPolarHBondContact O-CB 3.41Å; F203-Y206 PolarHBondContact O-N 3.35Å; F203-C207 PolarHBondContact O-N 3.31Å; F203-C207 PolarHBondContact O-SG 3.43Å; F203-C207 VanDerWaalsContact O-SG 3.41Å
204L85.7Confident74.3Confident61 Ų6165.2 Ų65.232%0.31933%0.327SS..Hα-helixtrans-60-39.8175.9-72.2177.7000112.2R179 I182 R200 E201 C207 D208R179-L204 HydrophobicContact CG-CD2 3.96Å; R179-L204 PolarHBondContact NH2-O 3.46Å; I182-L204 HydrophobicContact CD1-CD2 3.76Å; I182-L204 HydrophobicContact CD1-CG 4.43Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 2.97Å; E201-L204 PolarHBondContact O-N 2.93Å; L204-C207 WeakPolarHBondContact O-CB 3.3Å; L204-C207 PolarHBondContact O-N 2.95Å; L204-D208 PolarHBondContact O-N 3.43Å; L204-D208 VanDerWaalsContact O-N 3.13Å
205R84.8Confident75.2Confident91 Ų9164.2 Ų64.234%0.34332%0.317SS..Hα-helixtrans-67.3-35.8173.7-174.3175.365.7-122.6-1.1112.1E201 D202 F203 C207 D208 D209E201-R205 WeakPolarHBondContact O-CB 3.42Å; E201-R205 PolarHBondContact O-N 3.25Å; E201-R205 VanDerWaalsContact O-N 3.09Å; D202-R205 PolarHBondContact O-N 3.4Å; D202-R205 IonicContact OD1-CZ 3.3Å; D202-R205 VanDerWaalsContact OD1-CZ 3.23Å; D202-R205 IonicContact OD1-NH1 3.58Å; D202-R205 PolarHBondContact OD1-NH1 3.42Å; D202-R205 IonicContact OD1-NH2 3.85Å; D202-R205 PolarHBondContact OD1-NH2 2.96Å; F203-R205 VanDerWaalsContact C-N 3.27Å; F203-R205 PolarHBondContact O-N 2.97Å; R205-C207 VanDerWaalsContact C-N 3.33Å; R205-D208 WeakPolarHBondContact O-CB 3.39Å; R205-D208 PolarHBondContact O-N 3.16Å; R205-D209 VanDerWaalsContact O-CG 3.31Å; R205-D209 PolarHBondContact O-N 2.89Å
206Y84.5Confident76.5Confident37 Ų3765.1 Ų65.115%0.14530%0.3CS..Hα-helixtrans-61.8-41.8172.4175.1-109.3000111.8M178 F189 D202 F203 D208 D209 I210 E221M178-Y206 HydrophobicContact CE-CD1 4.29Å; M178-Y206 HydrophobicContact CE-CE1 3.84Å; F189-Y206 HydrophobicContact CD2-CD1 4.33Å; F189-Y206 AromaticContact CE2-CD1 3.79Å; F189-Y206 HydrophobicContact CE2-CD1 3.79Å; F189-Y206 HydrophobicContact CE2-CD2 4.01Å; F189-Y206 HydrophobicContact CE2-CE1 4.3Å; F189-Y206 AromaticContact CE2-CG 3.61Å; F189-Y206 HydrophobicContact CE2-CG 3.61Å; F189-Y206 HydrophobicContact CZ-CD1 4.46Å; F189-Y206 HydrophobicContact CZ-CD2 4.44Å; F189-Y206 AromaticContact CZ-CG 3.97Å; F189-Y206 HydrophobicContact CZ-CG 3.97Å; D202-Y206 PolarHBondContact O-N 3.33Å; F203-Y206 WeakPolarHBondContact O-CA 3.37Å; F203-Y206 VanDerWaalsContact O-CB 3.29Å; F203-Y206 WeakPolarHBondContact O-CB 3.41Å; F203-Y206 PolarHBondContact O-N 3.35Å; Y206-D208 VanDerWaalsContact C-N 3.33Å; Y206-D208 PolarHBondContact O-N 3.13Å; Y206-D209 WeakPolarHBondContact O-CB 3.41Å; Y206-D209 PolarHBondContact O-N 3.44Å; Y206-D209 VanDerWaalsContact O-N 3.1Å; Y206-I210 HydrophobicContact CD1-CD1 3.97Å; Y206-I210 HydrophobicContact CE1-CD1 3.52Å; Y206-I210 HydrophobicContact CE1-CG1 4.19Å; Y206-I210 PolarHBondContact O-N 3.19Å; Y206-E221 WeakPolarHBondContact CE1-OE1 3.49Å; Y206-E221 PolarHBondContact OH-OE1 3.06Å; Y206-E221 PolarHBondContact OH-OE2 3.31Å; Y206-E221 VanDerWaalsContact OH-OE2 3.14Å
207C86.4Confident77.6Confident0 Ų059.9 Ų59.90%027%0.274CS..Hα-helixtrans-61-38172.8-62.60000112.7A175 R179 F203 L204 R205 D209 I210 V211A175-C207 HydrophobicContact CB-CB 4.11Å; A175-C207 VanDerWaalsContact CB-O 3.27Å; A175-C207 WeakPolarHBondContact CB-O 3.3Å; R179-C207 HydrophobicContact CG-CB 3.73Å; F203-C207 PolarHBondContact O-N 3.31Å; F203-C207 PolarHBondContact O-SG 3.43Å; F203-C207 VanDerWaalsContact O-SG 3.41Å; L204-C207 WeakPolarHBondContact O-CB 3.3Å; L204-C207 PolarHBondContact O-N 2.95Å; R205-C207 VanDerWaalsContact C-N 3.33Å; C207-D209 VanDerWaalsContact C-N 3.34Å; C207-I210 PolarHBondContact O-N 3.31Å; C207-V211 PolarHBondContact O-N 3.03Å
208D83.3Confident79Confident57 Ų5752 Ų5231%0.30525%0.246SC..Hα-helixtrans-62.5-43.6171.6-73.7-47.8000111.4R179 L204 R205 Y206 I210 V211 Y212R179-D208 IonicContact CZ-OD1 2.71Å; R179-D208 IonicContact NH1-OD1 3.05Å; R179-D208 IonicContact NH2-OD1 2.98Å; R179-D208 PolarHBondContact NH2-OD1 3.25Å; R179-D208 IonicContact NH2-OD2 3.95Å; R179-D208 PolarHBondContact NH2-OD2 2.9Å; L204-D208 PolarHBondContact O-N 3.43Å; L204-D208 VanDerWaalsContact O-N 3.13Å; R205-D208 WeakPolarHBondContact O-CB 3.39Å; R205-D208 PolarHBondContact O-N 3.16Å; Y206-D208 VanDerWaalsContact C-N 3.33Å; Y206-D208 PolarHBondContact O-N 3.13Å; D208-I210 VanDerWaalsContact C-N 3.27Å; D208-I210 PolarHBondContact O-N 2.7Å; D208-V211 PolarHBondContact O-N 3.28Å; D208-V211 VanDerWaalsContact O-N 3.08Å; D208-Y212 HydrophobicContact CB-CD2 4.2Å; D208-Y212 HydrophobicContact CB-CE2 4.47Å; D208-Y212 WeakPolarHBondContact O-CD2 3.3Å; D208-Y212 PolarHBondContact O-N 3.48Å
209D84.2Confident80.1Confident4 Ų453.8 Ų53.82%0.02126%0.257CS..Hα-helixtrans-63-34.1-179.2-70.6-7.2000111.3S93 S95 R205 Y206 C207 V211 R213 S215S93-D209 PolarHBondContact OG-OD2 3.33Å; S95-D209 VanDerWaalsContact CB-OD2 3.32Å; S95-D209 WeakPolarHBondContact CB-OD2 3.05Å; R205-D209 VanDerWaalsContact O-CG 3.31Å; R205-D209 PolarHBondContact O-N 2.89Å; Y206-D209 WeakPolarHBondContact O-CB 3.41Å; Y206-D209 PolarHBondContact O-N 3.44Å; Y206-D209 VanDerWaalsContact O-N 3.1Å; C207-D209 VanDerWaalsContact C-N 3.34Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 3.07Å; D209-R213 HydrophobicContact CB-CB 4.42Å; D209-R213 WeakPolarHBondContact O-CB 3.4Å; D209-R213 PolarHBondContact O-N 2.9Å; D209-R213 WeakPolarHBondContact OD1-CD 3.34Å; D209-R213 IonicContact OD1-CZ 3.96Å; D209-R213 IonicContact OD1-NE 3.77Å; D209-R213 PolarHBondContact OD1-NE 3.09Å; D209-S215 PolarHBondContact O-OG 3.41Å
210I86.6Confident80.6Confident1 Ų152.4 Ų52.41%0.00525%0.247CC..Hα-helixtrans-57.7-43.2172.3-73.2164.7000111.5Y154 R171 A175 M178 Y206 C207 D208 E221Y154-I210 WeakPolarHBondContact OH-CG2 3.31Å; R171-I210 HydrophobicContact CB-CG2 4.26Å; R171-I210 WeakPolarHBondContact CD-O 3.3Å; R171-I210 HydrophobicContact CG-CG2 4.5Å; R171-I210 PolarHBondContact NH1-O 3.44Å; A175-I210 HydrophobicContact CB-CB 4.21Å; A175-I210 HydrophobicContact CB-CG2 4.07Å; M178-I210 HydrophobicContact CE-CD1 4.28Å; M178-I210 HydrophobicContact SD-CD1 3.63Å; Y206-I210 HydrophobicContact CD1-CD1 3.97Å; Y206-I210 HydrophobicContact CE1-CD1 3.52Å; Y206-I210 HydrophobicContact CE1-CG1 4.19Å; Y206-I210 PolarHBondContact O-N 3.19Å; C207-I210 PolarHBondContact O-N 3.31Å; D208-I210 VanDerWaalsContact C-N 3.27Å; D208-I210 PolarHBondContact O-N 2.7Å; I210-E221 HydrophobicContact CD1-CG 3.91Å; I210-E221 HydrophobicContact CG1-CG 4.32Å
211V82.7Confident81.4Confident37 Ų3746.5 Ų46.522%0.22423%0.225CC..Hα-helixtrans-75.5-49.6-176.5-177.40000111.4A175 C207 D208 D209A175-V211 HydrophobicContact CB-CG2 3.46Å; A175-V211 VanDerWaalsContact CB-CG2 3.46Å; C207-V211 PolarHBondContact O-N 3.03Å; D208-V211 PolarHBondContact O-N 3.28Å; D208-V211 VanDerWaalsContact O-N 3.08Å; D209-V211 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 3.07Å
212Y75.6Confident82.1Confident167 Ų16740.8 Ų40.866%0.65520%0.198SC*.Hα-helixtrans-100.7-14.9-164-60.6-66000114.9D208D208-Y212 HydrophobicContact CB-CD2 4.2Å; D208-Y212 HydrophobicContact CB-CE2 4.47Å; D208-Y212 WeakPolarHBondContact O-CD2 3.3Å; D208-Y212 PolarHBondContact O-N 3.48Å
213R69.4Low82.7Confident53 Ų5343.3 Ų43.320%0.221%0.205CC..SBendtrans-123.811.7-163-62.4-176.3-170.7-83-0.1115.2R91 Q96 D209 S215R91-R213 PolarHBondContact O-NH1 3.43Å; R91-R213 PolarHBondContact O-NH2 2.74Å; Q96-R213 HydrophobicContact CG-CB 4.38Å; Q96-R213 HydrophobicContact CG-CG 4.5Å; Q96-R213 VanDerWaalsContact NE2-CB 3.33Å; Q96-R213 VanDerWaalsContact NE2-CD 3.33Å; Q96-R213 VanDerWaalsContact NE2-CG 3.3Å; D209-R213 HydrophobicContact CB-CB 4.42Å; D209-R213 WeakPolarHBondContact O-CB 3.4Å; D209-R213 PolarHBondContact O-N 2.9Å; D209-R213 WeakPolarHBondContact OD1-CD 3.34Å; D209-R213 IonicContact OD1-CZ 3.96Å; D209-R213 IonicContact OD1-NE 3.77Å; D209-R213 PolarHBondContact OD1-NE 3.09Å; R213-S215 PolarHBondContact O-N 3.42Å; R213-S215 VanDerWaalsContact O-N 3.1Å
214A69.5Low83.2Confident30 Ų3043.3 Ų43.325%0.24821%0.205CC..  trans50.833.1-17900000112.8H151 W216H151-A214 VanDerWaalsContact CE1-CB 3.44Å; H151-A214 WeakPolarHBondContact CE1-CB 3.34Å; H151-A214 VanDerWaalsContact NE2-CB 3.3Å; H151-A214 WeakPolarHBondContact NE2-CB 3.2Å; A214-W216 PolarHBondContact O-N 2.97Å
215S70Confident83.7Confident21 Ų2140.4 Ų40.415%0.14719%0.19CC..PPolyproline II helixtrans-55.6138177.6-600000109.5R171 D209 R213 G217R171-S215 PolarHBondContact NH1-O 2.99Å; R171-S215 PolarHBondContact NH2-O 3.38Å; D209-S215 PolarHBondContact O-OG 3.41Å; R213-S215 PolarHBondContact O-N 3.42Å; R213-S215 VanDerWaalsContact O-N 3.1Å; S215-G217 PolarHBondContact O-N 3.49Å
216W68.9Low84.3Confident89 Ų8936 Ų3634%0.33717%0.174SC..PPolyproline II helixtrans-58.4132.7173.5-66.67.7000108.4H99 A214 F265 E267H99-W216 AromaticContact CE1-CD2 3.88Å; H99-W216 AromaticContact CE1-CE2 3.59Å; H99-W216 AromaticContact CE1-CZ2 3.93Å; H99-W216 AromaticContact CE1-NE1 3.76Å; H99-W216 AromaticContact NE2-NE1 3.81Å; A214-W216 PolarHBondContact O-N 2.97Å; W216-F265 HydrophobicContact CH2-CB 3.6Å; W216-F265 HydrophobicContact CZ2-CB 4.05Å; W216-E267 HydrophobicContact CZ3-CB 4.38Å
217G73.6Confident84.9Confident12 Ų1235.5 Ų35.512%0.12417%0.172CC..PPolyproline II helixtrans-89.5147.6173.600000110.2M153 S215 E221M153-G217 VanDerWaalsContact SD-C 3.52Å; M153-G217 VanDerWaalsContact SD-CA 3.57Å; S215-G217 PolarHBondContact O-N 3.49Å; G217-E221 WeakPolarHBondContact CA-OE2 3.27Å
218G84.6Confident85.3Confident23 Ų2337.5 Ų37.524%0.23718%0.184CC..  trans-137.3-147172.500000110.6L220 E221 L222G218-L220 VanDerWaalsContact C-N 3.34Å; G218-L220 PolarHBondContact O-N 3.01Å; G218-E221 PolarHBondContact N-OE2 3Å; G218-E221 PolarHBondContact O-N 2.9Å; G218-L222 WeakPolarHBondContact O-CG 3.43Å; G218-L222 PolarHBondContact O-N 3.43Å
219Q87.8Confident85.8Confident103 Ų10335.4 Ų35.448%0.48117%0.173SC..Hα-helixtrans-57.9-40.9-172-170.168.34.600113.7L222 R223Q219-L222 PolarHBondContact O-N 3.36Å; Q219-R223 WeakPolarHBondContact O-CB 3.38Å; Q219-R223 PolarHBondContact O-N 3.41Å
220L90.6Very high86.4Confident32 Ų3240.1 Ų40.117%0.16820%0.195CC..Hα-helixtrans-63.4-44.5-179.3-62.7178.5000111.2M178 F185 F188 F189 G218 R223 A224M178-L220 HydrophobicContact CE-CB 3.89Å; F185-L220 HydrophobicContact CD1-CB 4.43Å; F185-L220 HydrophobicContact CD1-CD2 4.21Å; F185-L220 WeakPolarHBondContact CE1-O 3.46Å; F188-L220 HydrophobicContact CB-CD2 3.79Å; F189-L220 HydrophobicContact CB-CD1 4.46Å; F189-L220 HydrophobicContact CD2-CD1 4.08Å; G218-L220 VanDerWaalsContact C-N 3.34Å; G218-L220 PolarHBondContact O-N 3.01Å; L220-R223 PolarHBondContact O-N 2.99Å; L220-A224 WeakPolarHBondContact O-CB 3.31Å; L220-A224 PolarHBondContact O-N 2.93Å
221E93.8Very high86.9Confident4 Ų440.7 Ų40.72%0.01920%0.199CC..Hα-helixtrans-70.3-39.2179.9-67.263.9-12000111.1M153 Y154 T174 Y206 I210 G217 G218 R223 A224 I225M153-E221 HydrophobicContact CE-CB 3.66Å; M153-E221 HydrophobicContact CE-CG 4.48Å; M153-E221 HydrophobicContact SD-CB 4.22Å; Y154-E221 WeakPolarHBondContact OH-CG 3.35Å; T174-E221 HydrophobicContact CG2-CB 3.93Å; T174-E221 HydrophobicContact CG2-CG 4.12Å; Y206-E221 WeakPolarHBondContact CE1-OE1 3.49Å; Y206-E221 PolarHBondContact OH-OE1 3.06Å; Y206-E221 PolarHBondContact OH-OE2 3.31Å; Y206-E221 VanDerWaalsContact OH-OE2 3.14Å; I210-E221 HydrophobicContact CD1-CG 3.91Å; I210-E221 HydrophobicContact CG1-CG 4.32Å; G217-E221 WeakPolarHBondContact CA-OE2 3.27Å; G218-E221 PolarHBondContact N-OE2 3Å; G218-E221 PolarHBondContact O-N 2.9Å; E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.47Å; E221-A224 PolarHBondContact O-N 3.04Å; E221-I225 WeakPolarHBondContact O-CB 3.47Å; E221-I225 VanDerWaalsContact O-CG2 3.23Å; E221-I225 WeakPolarHBondContact O-CG2 3.3Å; E221-I225 PolarHBondContact O-N 3.08Å
222L95.1Very high87.6Confident0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-61.1-41174.3-70.5176.3000111.7M153 I157 G218 Q219 I225 S226 I233 V235 I245 L256 Y269M153-L222 HydrophobicContact CG-CD2 3.81Å; M153-L222 HydrophobicContact CG-CG 4.47Å; M153-L222 HydrophobicContact SD-CD2 3.61Å; M153-L222 HydrophobicContact SD-CG 3.74Å; I157-L222 HydrophobicContact CD1-CD2 4.11Å; G218-L222 WeakPolarHBondContact O-CG 3.43Å; G218-L222 PolarHBondContact O-N 3.43Å; Q219-L222 PolarHBondContact O-N 3.36Å; L222-I225 WeakPolarHBondContact O-CG2 3.49Å; L222-S226 VanDerWaalsContact O-CB 3.23Å; L222-S226 WeakPolarHBondContact O-CB 3.4Å; L222-S226 PolarHBondContact O-N 3.46Å; L222-I233 HydrophobicContact CD2-CD1 4.24Å; L222-I233 HydrophobicContact CD2-CG2 4.38Å; L222-V235 HydrophobicContact CD1-CG2 3.9Å; L222-I245 HydrophobicContact CB-CD1 3.52Å; L222-I245 HydrophobicContact CD1-CD1 3.8Å; L222-I245 HydrophobicContact CG-CD1 4.3Å; L222-L256 HydrophobicContact CD2-CD1 3.75Å; L222-Y269 HydrophobicContact CD1-CE1 4.22Å
223R95.2Very high88.6Confident87 Ų8731.3 Ų31.333%0.32816%0.159SC..Hα-helixtrans-63.6-47.9174.6-178.263.3176.1170.46.5111.5F185 Q219 L220 E221 S226 H227 I245 E248F185-R223 HydrophobicContact CE1-CB 4.25Å; F185-R223 HydrophobicContact CE1-CG 4.16Å; Q219-R223 WeakPolarHBondContact O-CB 3.38Å; Q219-R223 PolarHBondContact O-N 3.41Å; L220-R223 PolarHBondContact O-N 2.99Å; E221-R223 VanDerWaalsContact C-N 3.32Å; E221-R223 PolarHBondContact O-N 3.47Å; R223-S226 PolarHBondContact O-N 2.94Å; R223-H227 PolarHBondContact NE-NE2 3.46Å; R223-H227 VanDerWaalsContact NE-NE2 3.18Å; R223-H227 PolarHBondContact NH2-CE1 2.89Å; R223-H227 PolarHBondContact NH2-NE2 3.47Å; R223-H227 PolarHBondContact O-CD2 3.25Å; R223-H227 PolarHBondContact O-N 3.3Å; R223-I245 HydrophobicContact CB-CG2 4.16Å; R223-E248 IonicContact CZ-OE1 2.7Å; R223-E248 IonicContact CZ-OE2 3.95Å; R223-E248 IonicContact NH1-OE1 2.74Å; R223-E248 PolarHBondContact NH1-OE1 2.98Å; R223-E248 IonicContact NH1-OE2 3.13Å; R223-E248 PolarHBondContact NH1-OE2 3.49Å; R223-E248 IonicContact NH2-OE1 3.77Å; R223-E248 PolarHBondContact NH2-OE1 3.3Å; R223-E248 IonicContact NH2-OE2 2.82Å
224A95.9Very high89.9Confident0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-63.1-46.5179.100000112.6T174 Y177 M178 F185 L220 E221 S226 H227 V228T174-A224 HydrophobicContact CG2-CB 3.8Å; Y177-A224 HydrophobicContact CD1-CB 4.08Å; M178-A224 HydrophobicContact CG-CB 3.45Å; M178-A224 VanDerWaalsContact CG-CB 3.45Å; M178-A224 HydrophobicContact SD-CB 4.02Å; F185-A224 HydrophobicContact CE1-CB 3.86Å; F185-A224 HydrophobicContact CZ-CB 3.66Å; L220-A224 WeakPolarHBondContact O-CB 3.31Å; L220-A224 PolarHBondContact O-N 2.93Å; E221-A224 PolarHBondContact O-N 3.04Å; A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 PolarHBondContact O-N 2.86Å; A224-H227 WeakPolarHBondContact O-CB 3.32Å; A224-H227 PolarHBondContact O-N 3.42Å; A224-V228 WeakPolarHBondContact O-CG2 3.15Å; A224-V228 PolarHBondContact O-N 3.06Å
225I96.3Very high91.2Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-70.7-30.9-179.1-163.869.4000112I157 L170 T174 E221 L222 H227 V228 L229 I233I157-I225 HydrophobicContact CD1-CG1 4.43Å; I157-I225 HydrophobicContact CD1-CG2 3.7Å; L170-I225 HydrophobicContact CB-CD1 4.37Å; L170-I225 HydrophobicContact CD2-CD1 3.89Å; T174-I225 VanDerWaalsContact OG1-CD1 3.24Å; T174-I225 WeakPolarHBondContact OG1-CD1 3.24Å; E221-I225 WeakPolarHBondContact O-CB 3.47Å; E221-I225 VanDerWaalsContact O-CG2 3.23Å; E221-I225 WeakPolarHBondContact O-CG2 3.3Å; E221-I225 PolarHBondContact O-N 3.08Å; L222-I225 WeakPolarHBondContact O-CG2 3.49Å; I225-H227 VanDerWaalsContact C-N 3.32Å; I225-H227 PolarHBondContact O-N 3.02Å; I225-V228 HydrophobicContact CD1-CB 4.17Å; I225-V228 HydrophobicContact CD1-CG1 4.11Å; I225-V228 PolarHBondContact O-N 3.32Å; I225-L229 HydrophobicContact CD1-CD1 4.45Å; I225-L229 HydrophobicContact CD1-CG 4.35Å; I225-L229 HydrophobicContact CG1-CD1 3.82Å; I225-L229 HydrophobicContact CG1-CG 4.12Å; I225-L229 WeakPolarHBondContact O-CB 3.5Å; I225-L229 VanDerWaalsContact O-CG 3.31Å; I225-L229 WeakPolarHBondContact O-CG 3.35Å; I225-L229 PolarHBondContact O-N 3.35Å; I225-I233 HydrophobicContact CG2-CD1 3.69Å
226S96.8Very high92.4Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-59-44.3170.4177.40000111.3L222 R223 A224 L229 Q230 T231 I245 G246L222-S226 VanDerWaalsContact O-CB 3.23Å; L222-S226 WeakPolarHBondContact O-CB 3.4Å; L222-S226 PolarHBondContact O-N 3.46Å; R223-S226 PolarHBondContact O-N 2.94Å; A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 PolarHBondContact O-N 2.86Å; S226-L229 PolarHBondContact O-N 3.47Å; S226-Q230 VanDerWaalsContact O-CA 3.3Å; S226-Q230 WeakPolarHBondContact O-CA 3.17Å; S226-Q230 PolarHBondContact O-N 2.94Å; S226-T231 PolarHBondContact O-N 3.43Å; S226-T231 PolarHBondContact OG-O 3.01Å; S226-I245 PolarHBondContact OG-O 3.49Å; S226-G246 WeakPolarHBondContact OG-CA 3.34Å
227H96.8Very high93.5Very high26 Ų2624.9 Ų24.912%0.1213%0.128CC..Hα-helixtrans-64.1-43.5173.9-71.5-59.7000113.3Y177 R223 A224 I225 L229 Q230 E248 Y249Y177-H227 HydrophobicContact CD1-CB 4.33Å; Y177-H227 HydrophobicContact CD2-CB 4.31Å; Y177-H227 HydrophobicContact CE1-CB 3.69Å; Y177-H227 AromaticContact CE1-CD2 3.59Å; Y177-H227 AromaticContact CE1-CG 3.88Å; Y177-H227 HydrophobicContact CE2-CB 3.65Å; Y177-H227 AromaticContact CZ-CD2 3.76Å; Y177-H227 AromaticContact CZ-CG 3.62Å; Y177-H227 WeakPolarHBondContact OH-CB 3.45Å; Y177-H227 PolarHBondContact OH-CD2 2.95Å; Y177-H227 VanDerWaalsContact OH-CG 3.27Å; R223-H227 PolarHBondContact NE-NE2 3.46Å; R223-H227 VanDerWaalsContact NE-NE2 3.18Å; R223-H227 PolarHBondContact NH2-CE1 2.89Å; R223-H227 PolarHBondContact NH2-NE2 3.47Å; R223-H227 PolarHBondContact O-CD2 3.25Å; R223-H227 PolarHBondContact O-N 3.3Å; A224-H227 WeakPolarHBondContact O-CB 3.32Å; A224-H227 PolarHBondContact O-N 3.42Å; I225-H227 VanDerWaalsContact C-N 3.32Å; I225-H227 PolarHBondContact O-N 3.02Å; H227-L229 VanDerWaalsContact C-N 3.32Å; H227-L229 PolarHBondContact O-N 3.44Å; H227-Q230 WeakPolarHBondContact O-CG 3.31Å; H227-Q230 PolarHBondContact O-N 3.39Å; H227-E248 IonicContact CE1-OE1 3.7Å; H227-E248 PolarHBondContact CE1-OE1 3.27Å; H227-E248 IonicContact ND1-OE1 2.75Å; H227-E248 IonicContact NE2-OE1 3.69Å; H227-Y249 WeakPolarHBondContact CA-OH 3.49Å; H227-Y249 AromaticContact ND1-CE2 3.73Å; H227-Y249 AromaticContact ND1-CZ 3.66Å; H227-Y249 PolarHBondContact ND1-OH 3.42Å
228V94.9Very high94.2Very high42 Ų4225 Ų2526%0.25513%0.127SC..Hα-helixtrans-59.7-43.6177.7167.30000111.6R173 Y177 A224 I225 Q230R173-V228 HydrophobicContact CB-CG1 3.75Å; R173-V228 HydrophobicContact CB-CG2 4.35Å; R173-V228 HydrophobicContact CG-CG1 4.41Å; Y177-V228 HydrophobicContact CD2-CG2 4.04Å; Y177-V228 HydrophobicContact CG-CG2 3.99Å; A224-V228 WeakPolarHBondContact O-CG2 3.15Å; A224-V228 PolarHBondContact O-N 3.06Å; I225-V228 HydrophobicContact CD1-CB 4.17Å; I225-V228 HydrophobicContact CD1-CG1 4.11Å; I225-V228 PolarHBondContact O-N 3.32Å; V228-Q230 VanDerWaalsContact C-N 3.34Å
229L93.9Very high93.9Very high13 Ų1328.4 Ų28.47%0.06814%0.14CC..Hα-helixtrans-83.2-14.9-178.9-63.5174.5000112.3I157 L161 F163 I225 S226 H227 T231 R251 L254I157-L229 HydrophobicContact CG2-CD1 3.92Å; L161-L229 HydrophobicContact CD1-CD1 4.41Å; L161-L229 HydrophobicContact CD1-CD2 4.31Å; L161-L229 HydrophobicContact CD2-CD1 4.24Å; L161-L229 HydrophobicContact CD2-CD2 4.39Å; F163-L229 HydrophobicContact CZ-CD2 4.24Å; I225-L229 HydrophobicContact CD1-CD1 4.45Å; I225-L229 HydrophobicContact CD1-CG 4.35Å; I225-L229 HydrophobicContact CG1-CD1 3.82Å; I225-L229 HydrophobicContact CG1-CG 4.12Å; I225-L229 WeakPolarHBondContact O-CB 3.5Å; I225-L229 VanDerWaalsContact O-CG 3.31Å; I225-L229 WeakPolarHBondContact O-CG 3.35Å; I225-L229 PolarHBondContact O-N 3.35Å; S226-L229 PolarHBondContact O-N 3.47Å; H227-L229 VanDerWaalsContact C-N 3.32Å; H227-L229 PolarHBondContact O-N 3.44Å; L229-T231 PolarHBondContact O-N 2.91Å; L229-T231 PolarHBondContact O-OG1 3.3Å; L229-T231 VanDerWaalsContact O-OG1 3.1Å; L229-R251 PolarHBondContact O-NH1 3.39Å; L229-L254 HydrophobicContact CD1-CD1 3.88Å
230Q96.4Very high93.7Very high103 Ų10326.5 Ų26.548%0.48114%0.138SC..THydrogen-bonded Turntrans50.643.1-169.9-58.9-170.7-49.700112.2S226 H227 V228 Y249 R251S226-Q230 VanDerWaalsContact O-CA 3.3Å; S226-Q230 WeakPolarHBondContact O-CA 3.17Å; S226-Q230 PolarHBondContact O-N 2.94Å; H227-Q230 WeakPolarHBondContact O-CG 3.31Å; H227-Q230 PolarHBondContact O-N 3.39Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; Q230-Y249 VanDerWaalsContact C-CG 3.49Å; Q230-Y249 HydrophobicContact CB-CD1 3.85Å; Q230-Y249 HydrophobicContact CB-CE1 3.78Å; Q230-Y249 HydrophobicContact CB-CG 4.48Å; Q230-Y249 HydrophobicContact CG-CD1 4.5Å; Q230-Y249 HydrophobicContact CG-CE1 3.94Å; Q230-R251 VanDerWaalsContact O-CD 3.23Å; Q230-R251 WeakPolarHBondContact O-CD 3.41Å
231T96.2Very high93.6Very high13 Ų1330.2 Ų30.28%0.0816%0.164CC..  trans-138.5136.3-173.9-56.40000109.2S226 L229 R251 K252 L254S226-T231 PolarHBondContact O-N 3.43Å; S226-T231 PolarHBondContact OG-O 3.01Å; L229-T231 PolarHBondContact O-N 2.91Å; L229-T231 PolarHBondContact O-OG1 3.3Å; L229-T231 VanDerWaalsContact O-OG1 3.1Å; T231-R251 HydrophobicContact CG2-CB 4.01Å; T231-R251 WeakPolarHBondContact OG1-CD 3.39Å; T231-K252 WeakPolarHBondContact CG2-O 3.38Å; T231-L254 HydrophobicContact CG2-CD2 4.26Å; T231-L254 HydrophobicContact CG2-CG 3.99Å
232P97.6Very high93.5Very high6 Ų632.8 Ų32.84%0.03918%0.178CC..  trans-64.7152.6173.9-17.430.7000111.7V244 I245 Y249 R251 P253 L254P232-V244 HydrophobicContact CB-CG1 4.41Å; P232-I245 CarbonylContact C-O 3.39Å; P232-I245 VanDerWaalsContact CA-O 3.22Å; P232-I245 WeakPolarHBondContact CA-O 3.47Å; P232-Y249 WeakPolarHBondContact CG-O 3.44Å; P232-R251 WeakPolarHBondContact CD-O 3.47Å; P232-P253 HydrophobicContact CB-CB 4.04Å; P232-P253 HydrophobicContact CB-CG 4.08Å; P232-P253 HydrophobicContact CG-CG 4.39Å; P232-P253 CarbonylContact O-C 3.47Å; P232-P253 VanDerWaalsContact O-CA 3.24Å; P232-P253 WeakPolarHBondContact O-CA 3.36Å; P232-L254 PolarHBondContact O-N 3.43Å
233I97.8Very high93.4Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-123.8120.3173.5-55.4177.6000108.2I157 L222 I225 V235 V244 I245 L254 L256I157-I233 HydrophobicContact CD1-CD1 4.48Å; L222-I233 HydrophobicContact CD2-CD1 4.24Å; L222-I233 HydrophobicContact CD2-CG2 4.38Å; I225-I233 HydrophobicContact CG2-CD1 3.69Å; I233-V235 HydrophobicContact CG2-CG2 4.31Å; I233-V244 WeakPolarHBondContact O-CA 3.42Å; I233-I245 PolarHBondContact N-O 3.37Å; I233-I245 PolarHBondContact O-N 2.94Å; I233-L254 CarbonylContact C-O 3.12Å; I233-L254 WeakPolarHBondContact CA-O 3.24Å; I233-L254 HydrophobicContact CG1-CB 4.45Å; I233-L256 HydrophobicContact CG2-CD1 3.7Å; I233-L256 HydrophobicContact CG2-CG 3.91Å
234E96.8Very high93.4Very high35 Ų3534.2 Ų34.216%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-92.5126.2170.6-71-173.8-171.200109.3K139 I242 I243 V244 P253 L254 L256K139-E234 IonicContact NZ-OE1 2.78Å; K139-E234 IonicContact NZ-OE2 3.39Å; K139-E234 PolarHBondContact NZ-OE2 3.47Å; E234-I242 HydrophobicContact CB-CG2 4.06Å; E234-I242 HydrophobicContact CG-CG2 4.35Å; E234-I243 CarbonylContact C-O 3.56Å; E234-I243 WeakPolarHBondContact CA-O 3.29Å; E234-V244 HydrophobicContact CG-CG1 4.48Å; E234-V244 HydrophobicContact CG-CG2 4.22Å; E234-P253 HydrophobicContact CG-CB 3.78Å; E234-P253 HydrophobicContact CG-CG 4.29Å; E234-L254 PolarHBondContact N-O 3.02Å; E234-L256 PolarHBondContact O-N 3.49Å
235V96.1Very high93.3Very high5 Ų534.5 Ų34.53%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-110.7111.9174-174.90000108.9L222 I233 I242 I243 I245 L256 Y269L222-V235 HydrophobicContact CD1-CG2 3.9Å; I233-V235 HydrophobicContact CG2-CG2 4.31Å; V235-I242 WeakPolarHBondContact O-CA 3.49Å; V235-I243 HydrophobicContact CB-CB 4.39Å; V235-I243 PolarHBondContact N-O 3.12Å; V235-I243 PolarHBondContact O-N 3.44Å; V235-I243 VanDerWaalsContact O-N 3.07Å; V235-I245 HydrophobicContact CG2-CD1 4.42Å; V235-L256 WeakPolarHBondContact CA-O 3.22Å; V235-Y269 HydrophobicContact CG1-CE1 4.14Å
236V94.8Very high93.2Very high0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-91.2133.2177.8-179.20000109.7I135 L136 I242 T255 L256 V257 Y258I135-V236 HydrophobicContact CB-CG1 4.24Å; I135-V236 HydrophobicContact CD1-CG1 4.43Å; I135-V236 HydrophobicContact CG2-CG1 3.67Å; L136-V236 HydrophobicContact CD2-CG1 4.33Å; L136-V236 HydrophobicContact CD2-CG2 4.28Å; V236-I242 HydrophobicContact CG2-CD1 4.26Å; V236-I242 HydrophobicContact CG2-CG1 4.27Å; V236-I242 HydrophobicContact CG2-CG2 4.48Å; V236-T255 HydrophobicContact CG2-CG2 4.04Å; V236-L256 PolarHBondContact N-O 3.08Å; V236-V257 WeakPolarHBondContact O-CA 3.49Å; V236-Y258 PolarHBondContact O-N 2.91Å
237Q92.9Very high93.1Very high18 Ų1841.4 Ų41.48%0.08423%0.227CC..  trans-145154.1-178.955.5-172.6-19.200109.9S240 P241Q237-S240 VanDerWaalsContact CD-CB 3.44Å; Q237-P241 PolarHBondContact NE2-O 3.16Å
238A87.3Confident93Very high14 Ų1444.6 Ų44.612%0.11624%0.242CC..THydrogen-bonded Turntrans-72.2-39.8-167.800000115.2E128 K131 I132E128-A238 HydrophobicContact CB-CB 4.17Å; E128-A238 HydrophobicContact CG-CB 3.75Å; K131-A238 HydrophobicContact CB-CB 3.87Å; K131-A238 HydrophobicContact CD-CB 4.09Å; I132-A238 HydrophobicContact CD1-CB 4.12Å; I132-A238 HydrophobicContact CG1-CB 4Å
239N79.8Confident93.1Very high95 Ų9545 Ų4551%0.50824%0.239SC..THydrogen-bonded Turntrans-113.416.5-168.6-61-48.6000113.1K131K131-N239 PolarHBondContact NZ-OD1 3.2Å
240S83.1Confident93.1Very high63 Ų6352.5 Ų52.544%0.44128%0.279SS..SBendtrans-149.7156.4-177.5-77.40000111.1Q237Q237-S240 VanDerWaalsContact CD-CB 3.44Å
241P88.3Confident93Very high110 Ų11054.1 Ų54.171%0.71428%0.281SS*.PPolyproline II helixtrans-54.8152.9176.5-24.734.5000111.9Q237 I243Q237-P241 PolarHBondContact NE2-O 3.16Å; P241-I243 PolarHBondContact O-N 3.39Å
242I91Very high92.9Very high59 Ų5962.4 Ų62.430%0.30332%0.316SS..PPolyproline II helixtrans-60.9124.6171.8-60.6175.2000107.6I135 E234 V235 V236 V244I135-I242 HydrophobicContact CG2-CD1 4.35Å; E234-I242 HydrophobicContact CB-CG2 4.06Å; E234-I242 HydrophobicContact CG-CG2 4.35Å; V235-I242 WeakPolarHBondContact O-CA 3.49Å; V236-I242 HydrophobicContact CG2-CD1 4.26Å; V236-I242 HydrophobicContact CG2-CG1 4.27Å; V236-I242 HydrophobicContact CG2-CG2 4.48Å; I242-V244 HydrophobicContact CG2-CG2 4.49Å
243I93.3Very high92.8Very high64 Ų6464 Ų6433%0.32833%0.326SS..EExtended strand (participates in β ladder)trans-88.6126.8176.3-60.4172.5000107.3E234 V235 P241 I245E234-I243 CarbonylContact C-O 3.56Å; E234-I243 WeakPolarHBondContact CA-O 3.29Å; V235-I243 HydrophobicContact CB-CB 4.39Å; V235-I243 PolarHBondContact N-O 3.12Å; V235-I243 PolarHBondContact O-N 3.44Å; V235-I243 VanDerWaalsContact O-N 3.07Å; P241-I243 PolarHBondContact O-N 3.39Å; I243-I245 HydrophobicContact CG2-CD1 4.45Å; I243-I245 HydrophobicContact CG2-CG1 4.01Å
244V94.6Very high92.8Very high52 Ų5264.6 Ų64.632%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-108.1127174-168.10000108.7P232 I233 E234 I242 E247P232-V244 HydrophobicContact CB-CG1 4.41Å; I233-V244 WeakPolarHBondContact O-CA 3.42Å; E234-V244 HydrophobicContact CG-CG1 4.48Å; E234-V244 HydrophobicContact CG-CG2 4.22Å; I242-V244 HydrophobicContact CG2-CG2 4.49Å; V244-E247 HydrophobicContact CB-CG 3.94Å; V244-E247 HydrophobicContact CG1-CG 3.67Å
245I95.2Very high92.8Very high6 Ų663.6 Ų63.63%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-117.3130.3-179.6-57169.3000107.6L222 R223 S226 P232 I233 V235 I243L222-I245 HydrophobicContact CB-CD1 3.52Å; L222-I245 HydrophobicContact CD1-CD1 3.8Å; L222-I245 HydrophobicContact CG-CD1 4.3Å; R223-I245 HydrophobicContact CB-CG2 4.16Å; S226-I245 PolarHBondContact OG-O 3.49Å; P232-I245 CarbonylContact C-O 3.39Å; P232-I245 VanDerWaalsContact CA-O 3.22Å; P232-I245 WeakPolarHBondContact CA-O 3.47Å; I233-I245 PolarHBondContact N-O 3.37Å; I233-I245 PolarHBondContact O-N 2.94Å; V235-I245 HydrophobicContact CG2-CD1 4.42Å; I243-I245 HydrophobicContact CG2-CD1 4.45Å; I243-I245 HydrophobicContact CG2-CG1 4.01Å
246G94.3Very high92.8Very high1 Ų163.4 Ų63.41%0.0132%0.324CS..  trans84.834-179.300000113.3S226 E248 Y249S226-G246 WeakPolarHBondContact OG-CA 3.34Å; G246-E248 WeakPolarHBondContact CA-OE2 3.48Å; G246-E248 PolarHBondContact O-N 2.77Å; G246-E248 VanDerWaalsContact O-N 3.09Å; G246-Y249 WeakPolarHBondContact O-CB 3.38Å; G246-Y249 WeakPolarHBondContact O-CD2 3.24Å; G246-Y249 PolarHBondContact O-N 3.2Å
247E94.8Very high92.9Very high145 Ų14563.4 Ų63.468%0.67832%0.324SS*.THydrogen-bonded Turntrans-57.7-19.1177.8-67.4-176.6-148.500113.1V244 Y249V244-E247 HydrophobicContact CB-CG 3.94Å; V244-E247 HydrophobicContact CG1-CG 3.67Å; E247-Y249 PolarHBondContact O-N 2.91Å
248E95.1Very high92.8Very high93 Ų9363.7 Ų63.744%0.43533%0.325SS..THydrogen-bonded Turntrans-65.2-11.2171.860.8-99.6-124.700114.4R223 H227 G246R223-E248 IonicContact CZ-OE1 2.7Å; R223-E248 IonicContact CZ-OE2 3.95Å; R223-E248 IonicContact NH1-OE1 2.74Å; R223-E248 PolarHBondContact NH1-OE1 2.98Å; R223-E248 IonicContact NH1-OE2 3.13Å; R223-E248 PolarHBondContact NH1-OE2 3.49Å; R223-E248 IonicContact NH2-OE1 3.77Å; R223-E248 PolarHBondContact NH2-OE1 3.3Å; R223-E248 IonicContact NH2-OE2 2.82Å; H227-E248 IonicContact CE1-OE1 3.7Å; H227-E248 PolarHBondContact CE1-OE1 3.27Å; H227-E248 IonicContact ND1-OE1 2.75Å; H227-E248 IonicContact NE2-OE1 3.69Å; G246-E248 WeakPolarHBondContact CA-OE2 3.48Å; G246-E248 PolarHBondContact O-N 2.77Å; G246-E248 VanDerWaalsContact O-N 3.09Å
249Y95.5Very high92.8Very high51 Ų5163.1 Ų63.120%0.232%0.32CS..  trans-103134.9-179.3-60.5-61.9000111.9H227 Q230 P232 G246 E247 R251H227-Y249 WeakPolarHBondContact CA-OH 3.49Å; H227-Y249 AromaticContact ND1-CE2 3.73Å; H227-Y249 AromaticContact ND1-CZ 3.66Å; H227-Y249 PolarHBondContact ND1-OH 3.42Å; Q230-Y249 VanDerWaalsContact C-CG 3.49Å; Q230-Y249 HydrophobicContact CB-CD1 3.85Å; Q230-Y249 HydrophobicContact CB-CE1 3.78Å; Q230-Y249 HydrophobicContact CB-CG 4.48Å; Q230-Y249 HydrophobicContact CG-CD1 4.5Å; Q230-Y249 HydrophobicContact CG-CE1 3.94Å; P232-Y249 WeakPolarHBondContact CG-O 3.44Å; G246-Y249 WeakPolarHBondContact O-CB 3.38Å; G246-Y249 WeakPolarHBondContact O-CD2 3.24Å; G246-Y249 PolarHBondContact O-N 3.2Å; E247-Y249 PolarHBondContact O-N 2.91Å; Y249-R251 PolarHBondContact O-N 3.16Å
250N94.1Very high92.8Very high169 Ų16961.8 Ų61.890%0.90431%0.31SS*.  trans-95.219.3-177-64.2-27.1000114
251R94.3Very high92.4Very high137 Ų13763 Ų6352%0.51731%0.306SS..SBendtrans-86.1160.3178.9-67.2-167.8-180160.61.1111L229 Q230 T231 P232 Y249 P253L229-R251 PolarHBondContact O-NH1 3.39Å; Q230-R251 VanDerWaalsContact O-CD 3.23Å; Q230-R251 WeakPolarHBondContact O-CD 3.41Å; T231-R251 HydrophobicContact CG2-CB 4.01Å; T231-R251 WeakPolarHBondContact OG1-CD 3.39Å; P232-R251 WeakPolarHBondContact CD-O 3.47Å; Y249-R251 PolarHBondContact O-N 3.16Å; R251-P253 WeakPolarHBondContact O-CD 3.39Å
252K93.6Very high91Very high187 Ų18758.8 Ų58.881%0.81328%0.281SS*.PPolyproline II helixtrans-56.4123.6170.7-176.5-179.7177-176.40109.1T231T231-K252 WeakPolarHBondContact CG2-O 3.38Å
253P96Very high89.3Confident39 Ų3957.2 Ų57.225%0.25328%0.275SS..PPolyproline II helixtrans-63.8146.4-177.9-2333000112.9P232 E234 R251P232-P253 HydrophobicContact CB-CB 4.04Å; P232-P253 HydrophobicContact CB-CG 4.08Å; P232-P253 HydrophobicContact CG-CG 4.39Å; P232-P253 CarbonylContact O-C 3.47Å; P232-P253 VanDerWaalsContact O-CA 3.24Å; P232-P253 WeakPolarHBondContact O-CA 3.36Å; E234-P253 HydrophobicContact CG-CB 3.78Å; E234-P253 HydrophobicContact CG-CG 4.29Å; R251-P253 WeakPolarHBondContact O-CD 3.39Å
254L97.3Very high87.3Confident13 Ų1359 Ų597%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-78.4130.5163.1-51.5-177.6000107.9I157 Q160 L161 L229 T231 P232 I233 E234I157-L254 HydrophobicContact CG2-CD1 4.04Å; Q160-L254 HydrophobicContact CB-CB 4.12Å; Q160-L254 HydrophobicContact CB-CD2 3.89Å; Q160-L254 HydrophobicContact CB-CG 4.43Å; Q160-L254 HydrophobicContact CG-CB 4.45Å; L161-L254 HydrophobicContact CD2-CD1 4.04Å; L161-L254 HydrophobicContact CD2-CD2 4.17Å; L229-L254 HydrophobicContact CD1-CD1 3.88Å; T231-L254 HydrophobicContact CG2-CD2 4.26Å; T231-L254 HydrophobicContact CG2-CG 3.99Å; P232-L254 PolarHBondContact O-N 3.43Å; I233-L254 CarbonylContact C-O 3.12Å; I233-L254 WeakPolarHBondContact CA-O 3.24Å; I233-L254 HydrophobicContact CG1-CB 4.45Å; E234-L254 PolarHBondContact N-O 3.02Å
255T97.5Very high85.3Confident15 Ų1559.4 Ų59.49%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-104.9122-179.2-55.50000109.9L141 Q160 V236 V272L141-T255 HydrophobicContact CD1-CG2 4.38Å; Q160-T255 PolarHBondContact OE1-O 2.96Å; V236-T255 HydrophobicContact CG2-CG2 4.04Å; T255-V272 HydrophobicContact CG2-CG1 3.95Å; T255-V272 HydrophobicContact CG2-CG2 3.89Å
256L96.9Very high83.9Confident0 Ų060.1 Ų60.10%029%0.292CS..EExtended strand (participates in β ladder)trans-115.3149.6175.8-52.5-177.4000109.4A156 I157 Q160 L222 I233 E234 V235 V236 Y269A156-L256 HydrophobicContact CB-CD2 3.71Å; I157-L256 HydrophobicContact CD1-CD1 4.43Å; I157-L256 HydrophobicContact CG1-CD1 3.88Å; I157-L256 HydrophobicContact CG1-CD2 4.16Å; Q160-L256 HydrophobicContact CG-CD2 4.28Å; L222-L256 HydrophobicContact CD2-CD1 3.75Å; I233-L256 HydrophobicContact CG2-CD1 3.7Å; I233-L256 HydrophobicContact CG2-CG 3.91Å; E234-L256 PolarHBondContact O-N 3.49Å; V235-L256 WeakPolarHBondContact CA-O 3.22Å; V236-L256 PolarHBondContact N-O 3.08Å; L256-Y269 HydrophobicContact CB-CD1 4.37Å; L256-Y269 HydrophobicContact CD1-CD1 4.46Å
257V95.6Very high83.3Confident0 Ų064.7 Ų64.70%031%0.313CS..EExtended strand (participates in β ladder)trans-108.4128.5172.2176.90000108I132 L136 M143 V236 L259 Y269 N270 V272I132-V257 HydrophobicContact CD1-CG1 3.92Å; I132-V257 HydrophobicContact CG2-CG1 3.64Å; I132-V257 HydrophobicContact CG2-CG2 4.36Å; L136-V257 HydrophobicContact CD1-CG2 3.81Å; L136-V257 HydrophobicContact CD2-CG2 4.22Å; M143-V257 HydrophobicContact CG-CG2 4.42Å; M143-V257 HydrophobicContact SD-CG1 3.93Å; V236-V257 WeakPolarHBondContact O-CA 3.49Å; V257-L259 HydrophobicContact CG1-CD2 4.25Å; V257-L259 HydrophobicContact CG1-CG 4.17Å; V257-Y269 CarbonylContact O-C 3.59Å; V257-Y269 VanDerWaalsContact O-CA 3.27Å; V257-Y269 WeakPolarHBondContact O-CA 3.4Å; V257-N270 HydrophobicContact CB-CB 4.16Å; V257-N270 PolarHBondContact N-O 2.95Å; V257-N270 PolarHBondContact O-N 3.38Å; V257-V272 HydrophobicContact CG2-CG1 3.57Å
258Y91.8Very high83.1Confident25 Ų2558.3 Ų58.310%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-109.3128.1174.4179.9-108.1000109.9V236 H260 E267 Y269V236-Y258 PolarHBondContact O-N 2.91Å; Y258-H260 AromaticContact CD1-NE2 3.99Å; Y258-H260 AromaticContact CE1-CE1 3.43Å; Y258-H260 VanDerWaalsContact CE1-CE1 3.43Å; Y258-H260 WeakPolarHBondContact CE1-CE1 3.41Å; Y258-H260 AromaticContact CE1-ND1 3.68Å; Y258-H260 AromaticContact CE1-NE2 3.63Å; Y258-E267 HydrophobicContact CE2-CB 3.98Å; Y258-E267 HydrophobicContact CE2-CG 4.41Å; Y258-E267 WeakPolarHBondContact OH-CG 3.48Å; Y258-E267 PolarHBondContact OH-OE1 2.93Å; Y258-E267 PolarHBondContact OH-OE2 3.1Å; Y258-Y269 HydrophobicContact CD2-CD1 4.04Å; Y258-Y269 HydrophobicContact CD2-CD2 4.21Å; Y258-Y269 AromaticContact CD2-CE1 3.59Å; Y258-Y269 HydrophobicContact CD2-CE1 3.59Å; Y258-Y269 AromaticContact CD2-CE2 3.79Å; Y258-Y269 HydrophobicContact CD2-CE2 3.79Å; Y258-Y269 HydrophobicContact CD2-CG 4.34Å; Y258-Y269 AromaticContact CD2-CZ 3.45Å; Y258-Y269 VanDerWaalsContact CD2-CZ 3.45Å; Y258-Y269 HydrophobicContact CE2-CE1 4.49Å; Y258-Y269 HydrophobicContact CE2-CE2 4Å; Y258-Y269 AromaticContact CE2-CZ 3.92Å; Y258-Y269 HydrophobicContact CG-CE1 4.14Å
259L88Confident82.9Confident2 Ų255 Ų551%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-119.5128.7-179.5-63168.9000109.3E128 I132 M143 V257 A262 E267 H268 N270E128-L259 HydrophobicContact CG-CD2 3.71Å; I132-L259 HydrophobicContact CD1-CD2 3.2Å; I132-L259 HydrophobicContact CD1-CG 4.35Å; M143-L259 HydrophobicContact SD-CD1 3.9Å; V257-L259 HydrophobicContact CG1-CD2 4.25Å; V257-L259 HydrophobicContact CG1-CG 4.17Å; L259-A262 HydrophobicContact CB-CB 3.34Å; L259-A262 HydrophobicContact CD1-CB 3.39Å; L259-A262 HydrophobicContact CG-CB 3.94Å; L259-E267 CarbonylContact O-C 3.41Å; L259-E267 VanDerWaalsContact O-CA 3.31Å; L259-E267 WeakPolarHBondContact O-CA 3.39Å; L259-H268 PolarHBondContact N-O 3.14Å; L259-H268 PolarHBondContact O-N 2.88Å; L259-N270 WeakPolarHBondContact CD1-ND2 3.41Å
260H79.5Confident82.9Confident67 Ų6753 Ų5331%0.3126%0.259SS..EExtended strand (participates in β ladder)trans-82.8-23.7178.3-70.9-87.1000113.3E128 Y258 G266E128-H260 VanDerWaalsContact CD-N 3.34Å; E128-H260 WeakPolarHBondContact OE1-CB 3.25Å; E128-H260 IonicContact OE1-CD2 3.84Å; E128-H260 PolarHBondContact OE1-CD2 3.36Å; E128-H260 IonicContact OE1-CG 3.82Å; E128-H260 PolarHBondContact OE1-N 3.28Å; E128-H260 PolarHBondContact OE2-N 2.92Å; E128-H260 VanDerWaalsContact OE2-N 3.13Å; Y258-H260 AromaticContact CD1-NE2 3.99Å; Y258-H260 AromaticContact CE1-CE1 3.43Å; Y258-H260 VanDerWaalsContact CE1-CE1 3.43Å; Y258-H260 WeakPolarHBondContact CE1-CE1 3.41Å; Y258-H260 AromaticContact CE1-ND1 3.68Å; Y258-H260 AromaticContact CE1-NE2 3.63Å; H260-G266 CarbonylContact C-O 3.57Å; H260-G266 CarbonylContact O-C 3.58Å; H260-G266 WeakPolarHBondContact O-CA 3.38Å
261Y73.9Confident83Confident87 Ų8744.9 Ų44.934%0.34122%0.216SC..EExtended strand (participates in β ladder)trans-121.95.4-173-54.6-71.5000114.1L121 H124 R125 E128 C263 G266L121-Y261 HydrophobicContact CD2-CD1 4.26Å; H124-Y261 HydrophobicContact CB-CD2 4.1Å; H124-Y261 HydrophobicContact CB-CE2 4.16Å; H124-Y261 HydrophobicContact CB-CG 4.32Å; R125-Y261 PolarHBondContact NE-O 3.16Å; R125-Y261 PolarHBondContact NH2-O 3.39Å; R125-Y261 VanDerWaalsContact NH2-O 3.1Å; E128-Y261 HydrophobicContact CB-CD2 4.48Å; E128-Y261 PolarHBondContact OE2-N 2.9Å; Y261-C263 PolarHBondContact O-N 2.69Å; Y261-G266 PolarHBondContact N-O 3.42Å
262A58.9Low83.2Confident23 Ų2338.6 Ų38.619%0.1919%0.193CC..EExtended strand (participates in β ladder)trans-71.4-29.9-170.200000114.9L259 G266 H268L259-A262 HydrophobicContact CB-CB 3.34Å; L259-A262 HydrophobicContact CD1-CB 3.39Å; L259-A262 HydrophobicContact CG-CB 3.94Å; A262-G266 PolarHBondContact N-O 2.98Å; A262-H268 HydrophobicContact CB-CB 4.15Å
263C56.2Low83.3Confident26 Ų2634 Ų3418%0.17617%0.173CC..EExtended strand (participates in β ladder)trans-109.2160.3179.7-75.80000111.7A148 Y261 F265 G266A148-C263 WeakPolarHBondContact CB-SG 3.4Å; Y261-C263 PolarHBondContact O-N 2.69Å; C263-F265 PolarHBondContact O-N 3.48Å; C263-G266 PolarHBondContact N-O 2.85Å; C263-G266 PolarHBondContact O-N 3.4Å
264D50.1Low83.2Confident101 Ų10136.6 Ų36.654%0.5419%0.19SC..THydrogen-bonded Turntrans-56.4-18.7170.4-61.5-29.5000112.1Q110Q110-D264 PolarHBondContact NE2-O 3.22Å; Q110-D264 PolarHBondContact OE1-O 2.91Å
265F53.5Low82.9Confident60 Ų6039 Ų3926%0.26320%0.202SC..THydrogen-bonded Turntrans-105.815.8177.1-55.4-73.5000114.4V103 R107 W216 C263 E267V103-F265 HydrophobicContact CB-CD1 4.37Å; V103-F265 HydrophobicContact CB-CE1 4.23Å; V103-F265 HydrophobicContact CG1-CD1 3.93Å; V103-F265 HydrophobicContact CG1-CE1 3.4Å; V103-F265 VanDerWaalsContact CG1-CE1 3.4Å; V103-F265 HydrophobicContact CG1-CZ 3.83Å; V103-F265 HydrophobicContact CG2-CD1 4.38Å; R107-F265 HydrophobicContact CB-CE1 4.35Å; W216-F265 HydrophobicContact CH2-CB 3.6Å; W216-F265 HydrophobicContact CZ2-CB 4.05Å; C263-F265 PolarHBondContact O-N 3.48Å; F265-E267 PolarHBondContact O-N 3.32Å
266G66Low82.1Confident22 Ų2246.1 Ų46.123%0.22723%0.234CC..EExtended strand (participates in β ladder)trans89.7-82.3177.500000112.7H260 Y261 A262 C263H260-G266 CarbonylContact C-O 3.57Å; H260-G266 CarbonylContact O-C 3.58Å; H260-G266 WeakPolarHBondContact O-CA 3.38Å; Y261-G266 PolarHBondContact N-O 3.42Å; A262-G266 PolarHBondContact N-O 2.98Å; C263-G266 PolarHBondContact N-O 2.85Å; C263-G266 PolarHBondContact O-N 3.4Å
267E81.8Confident80.3Confident97 Ų9752.2 Ų52.245%0.45327%0.267SS..EExtended strand (participates in β ladder)trans-91136.8-160.5-56.1178.3-17500114.1W216 Y258 L259 F265W216-E267 HydrophobicContact CZ3-CB 4.38Å; Y258-E267 HydrophobicContact CE2-CB 3.98Å; Y258-E267 HydrophobicContact CE2-CG 4.41Å; Y258-E267 WeakPolarHBondContact OH-CG 3.48Å; Y258-E267 PolarHBondContact OH-OE1 2.93Å; Y258-E267 PolarHBondContact OH-OE2 3.1Å; L259-E267 CarbonylContact O-C 3.41Å; L259-E267 VanDerWaalsContact O-CA 3.31Å; L259-E267 WeakPolarHBondContact O-CA 3.39Å; F265-E267 PolarHBondContact O-N 3.32Å
268H88.7Confident78Confident11 Ų1158.1 Ų58.15%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-152.9147.9179.4-172.868.9000113.3I146 C152 L259 A262 N270I146-H268 PolarHBondContact O-CE1 3Å; I146-H268 PolarHBondContact O-NE2 3.07Å; C152-H268 WeakPolarHBondContact CB-CE1 3.31Å; C152-H268 VanDerWaalsContact CB-ND1 3.35Å; C152-H268 WeakPolarHBondContact CB-ND1 3.45Å; L259-H268 PolarHBondContact N-O 3.14Å; L259-H268 PolarHBondContact O-N 2.88Å; A262-H268 HydrophobicContact CB-CB 4.15Å; H268-N270 PolarHBondContact CD2-OD1 2.91Å; H268-N270 PolarHBondContact NE2-OD1 2.95Å
269Y92.4Very high75.9Confident22 Ų2260.4 Ų60.49%0.08634%0.339CS..EExtended strand (participates in β ladder)trans-108.2132173.6-72.2-85.9000111.7M153 L222 V235 L256 V257 Y258M153-Y269 HydrophobicContact CB-CD2 3.69Å; M153-Y269 HydrophobicContact CB-CE2 4.2Å; M153-Y269 HydrophobicContact CB-CG 4.08Å; M153-Y269 HydrophobicContact CG-CD2 4.04Å; M153-Y269 HydrophobicContact CG-CE2 4.2Å; M153-Y269 HydrophobicContact CG-CG 4.25Å; L222-Y269 HydrophobicContact CD1-CE1 4.22Å; V235-Y269 HydrophobicContact CG1-CE1 4.14Å; L256-Y269 HydrophobicContact CB-CD1 4.37Å; L256-Y269 HydrophobicContact CD1-CD1 4.46Å; V257-Y269 CarbonylContact O-C 3.59Å; V257-Y269 VanDerWaalsContact O-CA 3.27Å; V257-Y269 WeakPolarHBondContact O-CA 3.4Å; Y258-Y269 HydrophobicContact CD2-CD1 4.04Å; Y258-Y269 HydrophobicContact CD2-CD2 4.21Å; Y258-Y269 AromaticContact CD2-CE1 3.59Å; Y258-Y269 HydrophobicContact CD2-CE1 3.59Å; Y258-Y269 AromaticContact CD2-CE2 3.79Å; Y258-Y269 HydrophobicContact CD2-CE2 3.79Å; Y258-Y269 HydrophobicContact CD2-CG 4.34Å; Y258-Y269 AromaticContact CD2-CZ 3.45Å; Y258-Y269 VanDerWaalsContact CD2-CZ 3.45Å; Y258-Y269 HydrophobicContact CE2-CE1 4.49Å; Y258-Y269 HydrophobicContact CE2-CE2 4Å; Y258-Y269 AromaticContact CE2-CZ 3.92Å; Y258-Y269 HydrophobicContact CG-CE1 4.14Å
270N95.1Very high73.7Confident9 Ų964.9 Ų64.95%0.04838%0.377CS..EExtended strand (participates in β ladder)trans-117.2160.2172-75.9-43.2000111.2M143 K144 A145 I146 V257 L259 H268M143-N270 HydrophobicContact CG-CB 3.92Å; M143-N270 HydrophobicContact SD-CB 4.1Å; K144-N270 WeakPolarHBondContact O-CB 3.26Å; A145-N270 WeakPolarHBondContact CA-OD1 3.38Å; I146-N270 PolarHBondContact N-OD1 3.37Å; V257-N270 HydrophobicContact CB-CB 4.16Å; V257-N270 PolarHBondContact N-O 2.95Å; V257-N270 PolarHBondContact O-N 3.38Å; L259-N270 WeakPolarHBondContact CD1-ND2 3.41Å; H268-N270 PolarHBondContact CD2-OD1 2.91Å; H268-N270 PolarHBondContact NE2-OD1 2.95Å
271S96.8Very high72.1Confident0 Ų068.9 Ų68.90%041%0.406CS..EExtended strand (participates in β ladder)trans-89.2176.2172.3-174.40000109.6K144 D159 Q160K144-S271 PolarHBondContact N-O 3.4Å; K144-S271 PolarHBondContact O-N 3.49Å; K144-S271 VanDerWaalsContact O-N 3.09Å; D159-S271 VanDerWaalsContact OD2-CB 3.25Å; D159-S271 WeakPolarHBondContact OD2-CB 3.34Å; D159-S271 PolarHBondContact OD2-OG 3.4Å; Q160-S271 PolarHBondContact NE2-OG 3.41Å
272V97.1Very high70.8Confident5 Ų568.3 Ų68.33%0.0343%0.426CS..EExtended strand (participates in β ladder)trans-125.1157.1170.1-58.20000110.6L136 L141 E142 Q160 T255 V257L136-V272 HydrophobicContact CD1-CG1 4.19Å; L136-V272 HydrophobicContact CD2-CG1 3.79Å; L141-V272 HydrophobicContact CB-CB 4.43Å; L141-V272 HydrophobicContact CD1-CG2 4.14Å; L141-V272 HydrophobicContact CD2-CG2 4.22Å; E142-V272 CarbonylContact O-C 3.37Å; E142-V272 VanDerWaalsContact O-CA 3.28Å; E142-V272 WeakPolarHBondContact O-CA 3.46Å; Q160-V272 PolarHBondContact NE2-O 3.5Å; T255-V272 HydrophobicContact CG2-CG1 3.95Å; T255-V272 HydrophobicContact CG2-CG2 3.89Å; V257-V272 HydrophobicContact CG2-CG1 3.57Å
273K95.6Very high69.6Low89 Ų8971.1 Ų71.139%0.38746%0.457SS..EExtended strand (participates in β ladder)trans-134.7155.7169.757.4178.4164.8130.90110.1L141 E142 K144L141-K273 CarbonylContact C-O 3.13Å; L141-K273 WeakPolarHBondContact CA-O 3.3Å; E142-K273 HydrophobicContact CG-CD 4.2Å; E142-K273 HydrophobicContact CG-CG 3.47Å; E142-K273 VanDerWaalsContact CG-CG 3.47Å; E142-K273 PolarHBondContact N-O 2.86Å; E142-K273 PolarHBondContact O-N 3.05Å; E142-K273 VanDerWaalsContact OE1-CD 3.31Å; E142-K273 WeakPolarHBondContact OE1-CD 3Å; E142-K273 WeakPolarHBondContact OE1-CE 3.25Å; E142-K273 WeakPolarHBondContact OE1-CG 3.32Å; E142-K273 IonicContact OE1-NZ 3.54Å; E142-K273 PolarHBondContact OE1-NZ 3.22Å; K144-K273 HydrophobicContact CB-CD 4.46Å; K144-K273 HydrophobicContact CB-CG 4.3Å; K144-K273 HydrophobicContact CD-CD 4.41Å
274P94.5Very high68.8Low94 Ų9478.9 Ų78.961%0.6149%0.493SS*.EExtended strand (participates in β ladder)trans-58.9142.3171.9-2133.3000110.7E276P274-E276 PolarHBondContact O-N 3.22Å
275I91.2Very high68.3Low65 Ų6578 Ų7833%0.33350%0.5SS..  trans-66.4117.7168.6-62.8173.4000107.2N140 E142 N277N140-I275 PolarHBondContact O-N 3.31Å; E142-I275 HydrophobicContact CB-CG1 4.05Å; E142-I275 HydrophobicContact CG-CG1 4.35Å; I275-N277 PolarHBondContact O-N 2.99Å
276E80Confident68Low164 Ų16480.6 Ų80.677%0.76652%0.523SS*.  trans-69.998.7172.4-70.5-166.9175.800109P274 S278P274-E276 PolarHBondContact O-N 3.22Å; E276-S278 VanDerWaalsContact C-N 3.25Å; E276-S278 PolarHBondContact O-N 2.9Å
277N59.3Low67Low127 Ų12791.1 Ų91.168%0.67956%0.556SS**  trans-66.592.3164.6-76.9-9.9000107.7I275 G279I275-N277 PolarHBondContact O-N 2.99Å; N277-G279 PolarHBondContact O-N 3.13Å
278S48.2Very low65.4Low124 Ų12494 Ų9487%0.86757%0.574SS**SBendtrans-62.976.6164.7-66.70000108.8E276E276-S278 VanDerWaalsContact C-N 3.25Å; E276-S278 PolarHBondContact O-N 2.9Å
279G47.8Very low63.5Low73 Ų73106.8 Ų106.875%0.75363%0.63SS**  trans-176.817.2-169.800000117.6N277N277-G279 PolarHBondContact O-N 3.13Å
280A41.3Very low62Low97 Ų97111.1 Ų111.180%0.80266%0.657SS**  trans-133.278.7169.800000110.9
281V46.2Very low60.3Low151 Ų151116.4 Ų116.492%0.91569%0.689SS**  trans-64.4126.5163175.70000108.6
282G46.3Very low58.3Low75 Ų75122.9 Ų122.977%0.77373%0.727SS**  trans73.680.8149.700000117.5
283G34.5Very low56Low81 Ų81129.8 Ų129.884%0.83577%0.768SS**  trans-122.784159.100000109.9A285G283-A285 PolarHBondContact O-N 3.21Å; G283-A285 VanDerWaalsContact O-N 3.16Å
284M39.3Very low53.5Low189 Ų189132.4 Ų132.493%0.93179%0.792SS**PPolyproline II helixtrans-54.9116.1170.3-126.7165.173.500108.6
285A39.2Very low50.8Low84 Ų84134.9 Ų134.969%0.69480%0.804SS**PPolyproline II helixtrans-63.6127.9170.700000108.9G283 R287G283-A285 PolarHBondContact O-N 3.21Å; G283-A285 VanDerWaalsContact O-N 3.16Å; A285-R287 PolarHBondContact O-N 2.76Å
286P47.3Very low47.9Very low114 Ų114139.9 Ų139.974%0.7484%0.838SS**PPolyproline II helixtrans-68.6125.3170.85.46.8000108L288P286-L288 PolarHBondContact O-N 2.79Å
287R44.3Very low45.4Very low242 Ų242138.1 Ų138.191%0.91384%0.843SS**PPolyproline II helixtrans-61.3117.4161.4-71.1-174.4171.4-160-2.4107.3A285A285-R287 PolarHBondContact O-N 2.76Å
288L47.5Very low44.2Very low159 Ų159139 Ų13983%0.83286%0.857SS**  trans-104.8135.7160.5-78.8164.1000107.8P286P286-L288 PolarHBondContact O-N 2.79Å
289F49Very low43.9Very low279 Ų279140.4 Ų140.4100%1.22486%0.856SS**  trans-570-170.8-69.1-93.6000114.2

Retrieved 289 of 289 residues in 190.7 ms (Link to these results)

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