A0A087Y5K5_POEFO Loading...

Hook microtubule-tethering protein 1

AlphaFold DB , UniProt , Accession A0A087Y5K5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 716 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
1M47.3Very low73.9Confident194 Ų19477.4 Ų77.496%0.95641%0.409SS*.  0-52.40-134.8173.2-74.200107.6D3 S4 E5M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.91Å; M1-S4 PolarHBondContact O-N 3.44Å; M1-E5 PolarHBondContact O-N 2.93Å
2E47.3Very low75.5Confident149 Ų14970.9 Ų70.970%0.69638%0.375SS*.Hα-helixtrans-40-50.9168.9-64.8166.815400114.1S4 E5 T6E2-S4 PolarHBondContact O-N 3.15Å; E2-E5 PolarHBondContact O-N 3.34Å; E2-T6 PolarHBondContact O-N 2.65Å; E2-T6 PolarHBondContact O-OG1 3.34Å
3D58.5Low76.8Confident137 Ų13766.4 Ų66.473%0.73335%0.351SS*.Hα-helixtrans-56.4-26178.5-56-35.3000115.3M1 T6 A7M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.91Å; D3-T6 PolarHBondContact O-OG1 3.03Å; D3-A7 WeakPolarHBondContact O-CB 3.4Å
4S63.7Low78Confident64 Ų6467.2 Ų67.245%0.44835%0.354SS..Hα-helixtrans-88-15.9176.7-176.70000112.7M1 E2M1-S4 PolarHBondContact O-N 3.44Å; E2-S4 PolarHBondContact O-N 3.15Å
5E71.1Confident79Confident65 Ų6562.7 Ų62.730%0.30433%0.331SS..Hα-helixtrans-95.6-29.9180-62.7179.9140.300110.9M1 E2 L8 V9 V109M1-E5 PolarHBondContact O-N 2.93Å; E2-E5 PolarHBondContact O-N 3.34Å; E5-L8 WeakPolarHBondContact O-CB 3.46Å; E5-L8 PolarHBondContact O-N 3.45Å; E5-V9 PolarHBondContact O-N 3.35Å; E5-V109 HydrophobicContact CB-CG1 4.14Å; E5-V109 HydrophobicContact CB-CG2 3.85Å; E5-V109 HydrophobicContact CG-CG1 4.44Å
6T77.5Confident79.9Confident46 Ų4658.8 Ų58.828%0.28231%0.31SS..Hα-helixtrans-68.3-45.816751.80000111.4E2 D3 L8 V9 E10E2-T6 PolarHBondContact O-N 2.65Å; E2-T6 PolarHBondContact O-OG1 3.34Å; D3-T6 PolarHBondContact O-OG1 3.03Å; T6-L8 PolarHBondContact O-N 3.49Å; T6-L8 VanDerWaalsContact O-N 3.14Å; T6-V9 WeakPolarHBondContact O-CG1 3.31Å; T6-V9 PolarHBondContact O-N 3.37Å; T6-V9 VanDerWaalsContact O-N 3.1Å; T6-E10 PolarHBondContact O-N 3.18Å
7A84.2Confident80.6Confident34 Ų3459.9 Ų59.928%0.28131%0.313SS..Hα-helixtrans-58-28.8174.300000113.1D3 S11D3-A7 WeakPolarHBondContact O-CB 3.4Å; A7-S11 VanDerWaalsContact O-CB 3.24Å; A7-S11 WeakPolarHBondContact O-CB 3.34Å; A7-S11 PolarHBondContact O-N 3Å; A7-S11 VanDerWaalsContact O-N 3.12Å; A7-S11 PolarHBondContact O-OG 2.77Å
8L88.3Confident81.3Confident26 Ų2659.9 Ų59.914%0.13632%0.316CS..Hα-helixtrans-66.8-50.8173.7178.864.8000111.5E5 T6 S11 L12 V145 A149E5-L8 WeakPolarHBondContact O-CB 3.46Å; E5-L8 PolarHBondContact O-N 3.45Å; T6-L8 PolarHBondContact O-N 3.49Å; T6-L8 VanDerWaalsContact O-N 3.14Å; L8-S11 PolarHBondContact O-N 3.35Å; L8-L12 HydrophobicContact CD1-CD1 3.7Å; L8-L12 HydrophobicContact CD1-CG 4.16Å; L8-L12 HydrophobicContact CG-CD1 3.87Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 3.31Å; L8-V145 HydrophobicContact CD1-CG1 3.94Å; L8-A149 HydrophobicContact CD1-CB 3.84Å
9V91.1Very high81.7Confident2 Ų257.3 Ų57.31%0.01230%0.302CS..Hα-helixtrans-66.9-38.9-178.975.70000111.9E5 T6 L12 I13 V28 P108 M111 L115E5-V9 PolarHBondContact O-N 3.35Å; T6-V9 WeakPolarHBondContact O-CG1 3.31Å; T6-V9 PolarHBondContact O-N 3.37Å; T6-V9 VanDerWaalsContact O-N 3.1Å; V9-L12 PolarHBondContact O-N 2.92Å; V9-I13 HydrophobicContact CG2-CD1 4.04Å; V9-I13 HydrophobicContact CG2-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.22Å; V9-I13 VanDerWaalsContact O-CG1 3.23Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 3.5Å; V9-V28 HydrophobicContact CG1-CG2 4.25Å; V9-V28 HydrophobicContact CG2-CG2 4.14Å; V9-P108 WeakPolarHBondContact CB-O 3.35Å; V9-P108 HydrophobicContact CG1-CB 3.71Å; V9-M111 HydrophobicContact CG2-CB 4Å; V9-M111 HydrophobicContact CG2-CG 3.88Å; V9-L115 HydrophobicContact CG2-CD1 4.14Å
10E91.3Very high82Confident122 Ų12261.8 Ų61.857%0.5733%0.326SS*.Hα-helixtrans-62.9-46.6177.6-69.7173.3-17700111.5T6 L12 I13 I14T6-E10 PolarHBondContact O-N 3.18Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 2.88Å; E10-I13 WeakPolarHBondContact O-CB 3.37Å; E10-I13 PolarHBondContact O-N 3.03Å; E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.44Å; E10-I14 VanDerWaalsContact O-N 3.12Å
11S92.4Very high82.3Confident12 Ų1259.5 Ų59.58%0.08432%0.315CS..Hα-helixtrans-61.4-39.7175.9-62.20000112.5A7 L8 I14 W15A7-S11 VanDerWaalsContact O-CB 3.24Å; A7-S11 WeakPolarHBondContact O-CB 3.34Å; A7-S11 PolarHBondContact O-N 3Å; A7-S11 VanDerWaalsContact O-N 3.12Å; A7-S11 PolarHBondContact O-OG 2.77Å; L8-S11 PolarHBondContact O-N 3.35Å; S11-I14 PolarHBondContact O-N 2.94Å; S11-W15 PolarHBondContact O-N 3.33Å; S11-W15 VanDerWaalsContact O-N 3.13Å
12L92.9Very high84.2Confident0 Ų055.9 Ų55.90%031%0.306CS..Hα-helixtrans-75.4-25.4178.5-67.9174000113.2L8 V9 E10 L16 G112 L115 Q116 L119 V146L8-L12 HydrophobicContact CD1-CD1 3.7Å; L8-L12 HydrophobicContact CD1-CG 4.16Å; L8-L12 HydrophobicContact CG-CD1 3.87Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.36Å; L8-L12 PolarHBondContact O-N 3.31Å; V9-L12 PolarHBondContact O-N 2.92Å; E10-L12 VanDerWaalsContact C-N 3.33Å; E10-L12 PolarHBondContact O-N 2.88Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 3.47Å; L12-G112 WeakPolarHBondContact CD1-O 3.45Å; L12-L115 HydrophobicContact CB-CB 3.86Å; L12-L115 HydrophobicContact CB-CD1 3.91Å; L12-L115 HydrophobicContact CD1-CB 3.86Å; L12-L115 HydrophobicContact CG-CB 4.43Å; L12-Q116 HydrophobicContact CD1-CB 4.05Å; L12-L119 HydrophobicContact CD2-CB 4.3Å; L12-L119 HydrophobicContact CD2-CD2 3.54Å; L12-L119 HydrophobicContact CD2-CG 4.46Å; L12-V146 HydrophobicContact CD2-CG2 4.38Å
13I93.3Very high86.1Confident12 Ų1249.4 Ų49.46%0.06228%0.278CS..Hα-helixtrans-66.7-47.3170-77.4166.5000110.1V9 E10 W15 L16 Q17 C25 V28 L31 L115V9-I13 HydrophobicContact CG2-CD1 4.04Å; V9-I13 HydrophobicContact CG2-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.22Å; V9-I13 VanDerWaalsContact O-CG1 3.23Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 3.5Å; E10-I13 WeakPolarHBondContact O-CB 3.37Å; E10-I13 PolarHBondContact O-N 3.03Å; I13-W15 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 3.36Å; I13-L16 VanDerWaalsContact O-N 3.08Å; I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 2.94Å; I13-C25 WeakPolarHBondContact CG2-O 3.43Å; I13-V28 HydrophobicContact CD1-CG2 3.8Å; I13-L31 HydrophobicContact CD1-CD1 4.31Å; I13-L31 HydrophobicContact CG1-CD1 3.76Å; I13-L115 HydrophobicContact CG1-CD1 4.08Å
14I92.6Very high87.4Confident78 Ų7846.9 Ų46.940%0.427%0.269SS..Hα-helixtrans-60.2-37.1176.3-60.3164.3000110.5E10 S11 M138 V142E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.44Å; E10-I14 VanDerWaalsContact O-N 3.12Å; S11-I14 PolarHBondContact O-N 2.94Å; I14-M138 HydrophobicContact CB-CE 4.21Å; I14-M138 HydrophobicContact CG2-CE 3.69Å; I14-V142 HydrophobicContact CD1-CG2 3.93Å
15W94Very high88.6Confident0 Ų044.3 Ų44.30%025%0.251CS..Hα-helixtrans-66.4-44.2172.2174.175.6000112.6S11 I13 Q17 T18 F19 I44 I118 L119 A122 M138S11-W15 PolarHBondContact O-N 3.33Å; S11-W15 VanDerWaalsContact O-N 3.13Å; I13-W15 PolarHBondContact O-N 3.49Å; W15-Q17 PolarHBondContact O-N 3.38Å; W15-T18 PolarHBondContact O-N 2.92Å; W15-T18 VanDerWaalsContact O-N 3.15Å; W15-T18 PolarHBondContact O-OG1 3.09Å; W15-F19 HydrophobicContact CD2-CE2 4.26Å; W15-F19 AromaticContact CE2-CE2 3.78Å; W15-F19 HydrophobicContact CE3-CE2 4.42Å; W15-F19 AromaticContact CH2-CE2 3.68Å; W15-F19 HydrophobicContact CH2-CE2 3.68Å; W15-F19 AromaticContact CH2-CZ 3.84Å; W15-F19 HydrophobicContact CH2-CZ 3.84Å; W15-F19 AromaticContact CZ2-CE2 3.49Å; W15-F19 HydrophobicContact CZ2-CE2 3.49Å; W15-F19 VanDerWaalsContact CZ2-CE2 3.49Å; W15-F19 AromaticContact CZ2-CZ 3.61Å; W15-F19 HydrophobicContact CZ2-CZ 3.61Å; W15-F19 HydrophobicContact CZ3-CE2 4.16Å; W15-I44 HydrophobicContact CH2-CD1 4.41Å; W15-I118 HydrophobicContact CH2-CG2 4.2Å; W15-I118 HydrophobicContact CZ3-CG2 4.2Å; W15-L119 HydrophobicContact CD2-CD1 4Å; W15-L119 HydrophobicContact CE3-CB 4.36Å; W15-L119 HydrophobicContact CE3-CD1 4.44Å; W15-L119 VanDerWaalsContact CH2-CA 3.48Å; W15-L119 HydrophobicContact CH2-CB 4.05Å; W15-L119 HydrophobicContact CH2-CD1 4.22Å; W15-L119 HydrophobicContact CZ2-CB 4.42Å; W15-L119 HydrophobicContact CZ2-CD1 3.72Å; W15-L119 HydrophobicContact CZ3-CB 4.01Å; W15-A122 HydrophobicContact CH2-CB 3.98Å; W15-A122 HydrophobicContact CZ2-CB 3.65Å; W15-M138 VanDerWaalsContact CA-CE 3.4Å; W15-M138 HydrophobicContact CB-CE 3.81Å; W15-M138 HydrophobicContact CB-SD 4.11Å; W15-M138 HydrophobicContact CG-SD 4.44Å
16L92.7Very high89.3Confident0 Ų045.1 Ų45.10%026%0.264CS..Hα-helixtrans-64.4-29.3179.5-168.269.2000112.5L12 I13 T18 F19 C25 L31 M37 A40 L115L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 PolarHBondContact O-N 3.47Å; I13-L16 PolarHBondContact O-N 3.36Å; I13-L16 VanDerWaalsContact O-N 3.08Å; L16-T18 PolarHBondContact O-N 2.95Å; L16-F19 HydrophobicContact CD1-CD2 4.32Å; L16-F19 WeakPolarHBondContact O-CD2 3.29Å; L16-F19 PolarHBondContact O-N 3.26Å; L16-C25 HydrophobicContact CD2-CB 4.35Å; L16-L31 HydrophobicContact CD2-CD1 4.12Å; L16-L31 HydrophobicContact CD2-CD2 3.59Å; L16-M37 HydrophobicContact CD2-CG 4.18Å; L16-A40 HydrophobicContact CD1-CB 3.49Å; L16-A40 VanDerWaalsContact CD1-CB 3.49Å; L16-L115 HydrophobicContact CD2-CD2 3.85Å
17Q92.5Very high89.9Confident77 Ų7745.8 Ų45.836%0.3627%0.267SS..Hα-helixtrans-63.1-24.4175.9-73.8168.67.200113.6I13 W15 F19 N20 C25I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 2.94Å; W15-Q17 PolarHBondContact O-N 3.38Å; Q17-F19 PolarHBondContact O-N 2.89Å; Q17-F19 VanDerWaalsContact O-N 3.17Å; Q17-N20 PolarHBondContact O-N 2.93Å; Q17-C25 PolarHBondContact NE2-O 2.91Å
18T92.1Very high90.1Very high61 Ų6145.4 Ų45.437%0.37426%0.262SS..THydrogen-bonded Turntrans-66.7-17.6179.171.40000113.1W15 L16 N20 I134W15-T18 PolarHBondContact O-N 2.92Å; W15-T18 VanDerWaalsContact O-N 3.15Å; W15-T18 PolarHBondContact O-OG1 3.09Å; L16-T18 PolarHBondContact O-N 2.95Å; T18-N20 PolarHBondContact O-N 2.87Å; T18-I134 HydrophobicContact CG2-CG2 3.9Å; T18-I134 WeakPolarHBondContact OG1-CG2 3.26Å
19F89.7Confident90.1Very high9 Ų951 Ų514%0.03929%0.287CS..THydrogen-bonded Turntrans-77.1-7.5175.2-67.8-96.3000113.5W15 L16 Q17 T21 A40 Q43 I44 Y131W15-F19 HydrophobicContact CD2-CE2 4.26Å; W15-F19 AromaticContact CE2-CE2 3.78Å; W15-F19 HydrophobicContact CE3-CE2 4.42Å; W15-F19 AromaticContact CH2-CE2 3.68Å; W15-F19 HydrophobicContact CH2-CE2 3.68Å; W15-F19 AromaticContact CH2-CZ 3.84Å; W15-F19 HydrophobicContact CH2-CZ 3.84Å; W15-F19 AromaticContact CZ2-CE2 3.49Å; W15-F19 HydrophobicContact CZ2-CE2 3.49Å; W15-F19 VanDerWaalsContact CZ2-CE2 3.49Å; W15-F19 AromaticContact CZ2-CZ 3.61Å; W15-F19 HydrophobicContact CZ2-CZ 3.61Å; W15-F19 HydrophobicContact CZ3-CE2 4.16Å; L16-F19 HydrophobicContact CD1-CD2 4.32Å; L16-F19 WeakPolarHBondContact O-CD2 3.29Å; L16-F19 PolarHBondContact O-N 3.26Å; Q17-F19 PolarHBondContact O-N 2.89Å; Q17-F19 VanDerWaalsContact O-N 3.17Å; F19-T21 VanDerWaalsContact C-N 3.27Å; F19-T21 HydrophobicContact CB-CG2 3.9Å; F19-T21 PolarHBondContact O-N 3.33Å; F19-T21 VanDerWaalsContact O-N 3.15Å; F19-A40 HydrophobicContact CB-CB 4.25Å; F19-A40 HydrophobicContact CD1-CB 4.01Å; F19-A40 HydrophobicContact CD2-CB 4.3Å; F19-A40 HydrophobicContact CE1-CB 4.45Å; F19-A40 HydrophobicContact CG-CB 3.93Å; F19-Q43 HydrophobicContact CD1-CB 4.08Å; F19-Q43 HydrophobicContact CE1-CB 4.47Å; F19-Q43 PolarHBondContact O-NE2 3.47Å; F19-Q43 PolarHBondContact O-OE1 3.3Å; F19-I44 HydrophobicContact CE1-CD1 4.12Å; F19-I44 HydrophobicContact CE1-CG1 3.67Å; F19-I44 HydrophobicContact CZ-CD1 4.03Å; F19-I44 HydrophobicContact CZ-CG1 3.95Å; F19-Y131 HydrophobicContact CD1-CE1 4.35Å; F19-Y131 HydrophobicContact CE1-CD1 4.01Å; F19-Y131 AromaticContact CE1-CE1 3.38Å; F19-Y131 HydrophobicContact CE1-CE1 3.38Å; F19-Y131 AromaticContact CZ-CD1 3.84Å; F19-Y131 HydrophobicContact CZ-CD1 3.84Å; F19-Y131 AromaticContact CZ-CE1 3.72Å; F19-Y131 HydrophobicContact CZ-CE1 3.72Å
20N87.8Confident90Very high147 Ų14753.7 Ų53.779%0.78630%0.3SS*.  trans45.147.9177.3-163.519.7000113.3Q17 T18Q17-N20 PolarHBondContact O-N 2.93Å; T18-N20 PolarHBondContact O-N 2.87Å
21T88.8Confident89.9Confident14 Ų1448 Ų489%0.08627%0.273CS..  trans-71.6145.9-171.854.90000112.2F19 A23 Q39 A40F19-T21 VanDerWaalsContact C-N 3.27Å; F19-T21 HydrophobicContact CB-CG2 3.9Å; F19-T21 PolarHBondContact O-N 3.33Å; F19-T21 VanDerWaalsContact O-N 3.15Å; T21-A23 PolarHBondContact O-N 2.92Å; T21-A23 VanDerWaalsContact O-N 3.13Å; T21-A23 VanDerWaalsContact O-O 3.1Å; T21-A23 PolarHBondContact OG1-O 3.17Å; T21-Q39 HydrophobicContact CG2-CB 3.79Å; T21-A40 HydrophobicContact CG2-CB 4.33Å
22P85.9Confident89.9Confident119 Ų11947.6 Ų47.677%0.77327%0.27SS*.SBendtrans-58.1-25.1175.9-27.634.7000115.3
23A86.8Confident89.8Confident12 Ų1249 Ų4910%0.09928%0.279CS..SBendtrans-86.3140171.200000111.4T21 A35 A36T21-A23 PolarHBondContact O-N 2.92Å; T21-A23 VanDerWaalsContact O-N 3.13Å; T21-A23 VanDerWaalsContact O-O 3.1Å; T21-A23 PolarHBondContact OG1-O 3.17Å; A23-A35 HydrophobicContact CB-CB 3.61Å; A23-A36 HydrophobicContact CB-CB 4.05Å
24P86.3Confident89.6Confident84 Ų8448.5 Ų48.555%0.54528%0.276SS..  trans-66.7146.6179.431.2-36.9000111.5E30P24-E30 HydrophobicContact CB-CG 4.34Å; P24-E30 WeakPolarHBondContact CB-OE2 3.27Å; P24-E30 HydrophobicContact CG-CB 4.47Å; P24-E30 HydrophobicContact CG-CG 4.25Å
25C88.3Confident89.5Confident11 Ų1145 Ų457%0.07426%0.259CS..  trans-146.837.9-174.452.20000111.9I13 L16 Q17 E30 L31 A36I13-C25 WeakPolarHBondContact CG2-O 3.43Å; L16-C25 HydrophobicContact CD2-CB 4.35Å; Q17-C25 PolarHBondContact NE2-O 2.91Å; C25-E30 PolarHBondContact N-OE2 2.95Å; C25-L31 HydrophobicContact CB-CD2 3.65Å; C25-A36 HydrophobicContact CB-CB 3.94Å
26S86.4Confident89.4Confident82 Ų8245 Ų4557%0.57326%0.259SS*.SBendtrans-88.5-24.7179.3-62.90000113.2E30S26-E30 WeakPolarHBondContact CA-OE2 3.28Å; S26-E30 WeakPolarHBondContact CB-OE2 3.4Å; S26-E30 PolarHBondContact N-OE2 2.83Å
27T89.4Confident89.5Confident59 Ų5945 Ų4536%0.36226%0.259SS..SBendtrans-133.6158-176.863.70000112.4E29 E30 L31T27-E29 PolarHBondContact O-N 3.31Å; T27-E30 PolarHBondContact N-OE2 3.33Å; T27-E30 PolarHBondContact O-N 2.8Å; T27-E30 VanDerWaalsContact OG1-CG 3.3Å; T27-E30 WeakPolarHBondContact OG1-CG 3.33Å; T27-E30 PolarHBondContact OG1-N 3.41Å; T27-E30 PolarHBondContact OG1-OE1 3.42Å; T27-L31 PolarHBondContact O-N 3.03Å
28V89.3Confident89.6Confident26 Ų2641.4 Ų41.416%0.15824%0.243CC..Hα-helixtrans-58.8-35.8173.8-179.90000111V9 I13 L31 T32 A106 P108 M111V9-V28 HydrophobicContact CG1-CG2 4.25Å; V9-V28 HydrophobicContact CG2-CG2 4.14Å; I13-V28 HydrophobicContact CD1-CG2 3.8Å; V28-L31 PolarHBondContact O-N 3.08Å; V28-T32 WeakPolarHBondContact O-CG2 3.44Å; V28-T32 PolarHBondContact O-N 3.1Å; V28-A106 HydrophobicContact CG1-CB 4.31Å; V28-A106 VanDerWaalsContact CG1-O 3.24Å; V28-A106 WeakPolarHBondContact CG1-O 3.48Å; V28-P108 HydrophobicContact CG2-CB 4.44Å; V28-M111 HydrophobicContact CG1-CB 4.01Å; V28-M111 HydrophobicContact CG1-CE 4.13Å; V28-M111 HydrophobicContact CG1-CG 4.1Å; V28-M111 WeakPolarHBondContact O-CE 3.38Å
29E88Confident89.6Confident144 Ų14440.5 Ų40.567%0.67323%0.234SC*.Hα-helixtrans-63.5-44.8179.1-66.3-174.4177.200112.6T27 L31 T32 A106T27-E29 PolarHBondContact O-N 3.31Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.5Å; E29-T32 WeakPolarHBondContact O-CB 3.39Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 PolarHBondContact O-OG1 2.85Å; E29-A106 HydrophobicContact CG-CB 4.11Å
30E89Confident89.8Confident59 Ų5940 Ų4028%0.27623%0.232SC..Hα-helixtrans-60.4-41.4175.8-72.8155-143.200111.9P24 C25 S26 T27 T32 T33P24-E30 HydrophobicContact CB-CG 4.34Å; P24-E30 WeakPolarHBondContact CB-OE2 3.27Å; P24-E30 HydrophobicContact CG-CB 4.47Å; P24-E30 HydrophobicContact CG-CG 4.25Å; C25-E30 PolarHBondContact N-OE2 2.95Å; S26-E30 WeakPolarHBondContact CA-OE2 3.28Å; S26-E30 WeakPolarHBondContact CB-OE2 3.4Å; S26-E30 PolarHBondContact N-OE2 2.83Å; T27-E30 PolarHBondContact N-OE2 3.33Å; T27-E30 PolarHBondContact O-N 2.8Å; T27-E30 VanDerWaalsContact OG1-CG 3.3Å; T27-E30 WeakPolarHBondContact OG1-CG 3.33Å; T27-E30 PolarHBondContact OG1-N 3.41Å; T27-E30 PolarHBondContact OG1-OE1 3.42Å; E30-T32 VanDerWaalsContact C-N 3.25Å; E30-T32 PolarHBondContact O-N 3.17Å; E30-T33 WeakPolarHBondContact O-CG2 3.31Å; E30-T33 PolarHBondContact O-N 3.23Å; E30-T33 PolarHBondContact O-OG1 2.99Å
31L90.2Very high90.1Very high1 Ų133 Ų331%0.00520%0.195CC..Hα-helixtrans-66.9-21.3179-69.8-174.9000113.8I13 L16 C25 T27 V28 E29 T33 G34 A36 M37 M111 L115I13-L31 HydrophobicContact CD1-CD1 4.31Å; I13-L31 HydrophobicContact CG1-CD1 3.76Å; L16-L31 HydrophobicContact CD2-CD1 4.12Å; L16-L31 HydrophobicContact CD2-CD2 3.59Å; C25-L31 HydrophobicContact CB-CD2 3.65Å; T27-L31 PolarHBondContact O-N 3.03Å; V28-L31 PolarHBondContact O-N 3.08Å; E29-L31 VanDerWaalsContact C-N 3.31Å; E29-L31 PolarHBondContact O-N 3.5Å; L31-T33 PolarHBondContact O-N 2.87Å; L31-G34 PolarHBondContact O-N 3.47Å; L31-A36 HydrophobicContact CD2-CB 3.79Å; L31-M37 HydrophobicContact CB-CE 4.38Å; L31-M37 WeakPolarHBondContact O-CE 3.22Å; L31-M111 HydrophobicContact CB-CE 3.55Å; L31-M111 HydrophobicContact CB-SD 3.98Å; L31-M111 HydrophobicContact CD1-SD 4.49Å; L31-L115 HydrophobicContact CD1-CD1 4.03Å; L31-L115 HydrophobicContact CD1-CD2 4.41Å
32T91.4Very high90.4Very high4 Ų434.9 Ų34.93%0.02520%0.202CC..THydrogen-bonded Turntrans-58.2-22.8176.465.70000113.5V28 E29 E30 G34 K68 V102 A106 M111V28-T32 WeakPolarHBondContact O-CG2 3.44Å; V28-T32 PolarHBondContact O-N 3.1Å; E29-T32 WeakPolarHBondContact O-CB 3.39Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 PolarHBondContact O-OG1 2.85Å; E30-T32 VanDerWaalsContact C-N 3.25Å; E30-T32 PolarHBondContact O-N 3.17Å; T32-G34 PolarHBondContact O-N 2.83Å; T32-K68 VanDerWaalsContact O-CB 3.32Å; T32-K68 WeakPolarHBondContact O-CB 3.4Å; T32-K68 WeakPolarHBondContact OG1-CD 3.45Å; T32-K68 PolarHBondContact OG1-NZ 3.47Å; T32-K68 VanDerWaalsContact OG1-NZ 3.09Å; T32-V102 VanDerWaalsContact CG2-O 3.26Å; T32-V102 WeakPolarHBondContact CG2-O 3.44Å; T32-A106 HydrophobicContact CG2-CB 3.87Å; T32-M111 HydrophobicContact CG2-CE 4.17Å
33T90.6Very high90.7Very high31 Ų3132.9 Ų32.919%0.1918%0.182CC..THydrogen-bonded Turntrans-64.1-27174.861.90000113.3E30 L31 A35 N71E30-T33 WeakPolarHBondContact O-CG2 3.31Å; E30-T33 PolarHBondContact O-N 3.23Å; E30-T33 PolarHBondContact O-OG1 2.99Å; L31-T33 PolarHBondContact O-N 2.87Å; T33-A35 PolarHBondContact O-N 3.44Å; T33-A35 PolarHBondContact OG1-N 3.37Å; T33-N71 WeakPolarHBondContact O-CB 3.38Å; T33-N71 PolarHBondContact O-ND2 2.84Å
34G89.4Confident90.9Very high0 Ų032.4 Ų32.40%018%0.178CC..SBendtrans76.5-5-171.700000114.9L31 T32 S38 I75L31-G34 PolarHBondContact O-N 3.47Å; T32-G34 PolarHBondContact O-N 2.83Å; G34-S38 WeakPolarHBondContact O-CB 3.32Å; G34-S38 PolarHBondContact O-N 2.92Å; G34-S38 PolarHBondContact O-OG 3.08Å; G34-I75 WeakPolarHBondContact O-CD1 3.49Å
35A91.5Very high91.2Very high4 Ų429.2 Ų29.23%0.03316%0.157CC..Hα-helixtrans-63.6-56.2-173.500000112.1A23 T33 M37 S38 Q39 T59A23-A35 HydrophobicContact CB-CB 3.61Å; T33-A35 PolarHBondContact O-N 3.44Å; T33-A35 PolarHBondContact OG1-N 3.37Å; A35-M37 PolarHBondContact O-N 3.17Å; A35-S38 PolarHBondContact O-N 2.91Å; A35-S38 VanDerWaalsContact O-N 3.15Å; A35-S38 PolarHBondContact O-OG 3.47Å; A35-Q39 WeakPolarHBondContact O-CG 3.45Å; A35-Q39 PolarHBondContact O-N 2.9Å; A35-T59 HydrophobicContact CB-CG2 4.06Å
36A92.1Very high91.4Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-59.4-44.5179.700000112.3A23 C25 L31 S38 Q39 A40A23-A36 HydrophobicContact CB-CB 4.05Å; C25-A36 HydrophobicContact CB-CB 3.94Å; L31-A36 HydrophobicContact CD2-CB 3.79Å; A36-S38 VanDerWaalsContact C-N 3.34Å; A36-S38 PolarHBondContact O-N 3.3Å; A36-Q39 PolarHBondContact O-N 3.47Å; A36-Q39 VanDerWaalsContact O-N 3.14Å; A36-A40 PolarHBondContact O-N 2.88Å
37M93.7Very high91.6Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-58.8-41.5175.2-76.5-175.5-81.400112.8L16 L31 A35 Q39 L41 L72 I75 M111 L114 L115 I118L16-M37 HydrophobicContact CD2-CG 4.18Å; L31-M37 HydrophobicContact CB-CE 4.38Å; L31-M37 WeakPolarHBondContact O-CE 3.22Å; A35-M37 PolarHBondContact O-N 3.17Å; M37-Q39 VanDerWaalsContact C-N 3.34Å; M37-L41 WeakPolarHBondContact O-CB 3.47Å; M37-L41 VanDerWaalsContact O-CG 3.27Å; M37-L41 WeakPolarHBondContact O-CG 3.41Å; M37-L41 PolarHBondContact O-N 3.25Å; M37-L72 HydrophobicContact CE-CD2 3.46Å; M37-L72 VanDerWaalsContact CE-CD2 3.46Å; M37-I75 HydrophobicContact CB-CD1 4.36Å; M37-M111 HydrophobicContact CE-CE 4.32Å; M37-M111 HydrophobicContact CE-SD 3.71Å; M37-M111 HydrophobicContact SD-SD 4.23Å; M37-L114 HydrophobicContact CE-CD2 3.93Å; M37-L114 HydrophobicContact SD-CD2 3.71Å; M37-L114 HydrophobicContact SD-CG 3.92Å; M37-L115 HydrophobicContact CG-CD2 3.84Å; M37-L115 HydrophobicContact SD-CD2 3.76Å; M37-I118 HydrophobicContact CB-CD1 3.81Å; M37-I118 HydrophobicContact CG-CD1 3.66Å; M37-I118 HydrophobicContact SD-CD1 3.68Å
38S93.8Very high91.7Very high3 Ų332.9 Ų32.92%0.02117%0.171CC..Hα-helixtrans-68.5-32.1176.671.10000113.5G34 A35 A36 H42G34-S38 WeakPolarHBondContact O-CB 3.32Å; G34-S38 PolarHBondContact O-N 2.92Å; G34-S38 PolarHBondContact O-OG 3.08Å; A35-S38 PolarHBondContact O-N 2.91Å; A35-S38 VanDerWaalsContact O-N 3.15Å; A35-S38 PolarHBondContact O-OG 3.47Å; A36-S38 VanDerWaalsContact C-N 3.34Å; A36-S38 PolarHBondContact O-N 3.3Å; S38-H42 PolarHBondContact O-N 2.87Å; S38-H42 VanDerWaalsContact O-N 3.08Å
39Q92.9Very high91.9Very high41 Ų4131.7 Ų31.719%0.19216%0.163CC..Hα-helixtrans-74.5-41.1177.3-70.3168.3-7.700111.4T21 A35 A36 M37 H42 Q43T21-Q39 HydrophobicContact CG2-CB 3.79Å; A35-Q39 WeakPolarHBondContact O-CG 3.45Å; A35-Q39 PolarHBondContact O-N 2.9Å; A36-Q39 PolarHBondContact O-N 3.47Å; A36-Q39 VanDerWaalsContact O-N 3.14Å; M37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-H42 WeakPolarHBondContact O-CB 3.33Å; Q39-H42 PolarHBondContact O-N 2.85Å; Q39-Q43 PolarHBondContact O-N 3Å; Q39-Q43 VanDerWaalsContact O-N 3.15Å
40A93.4Very high92.1Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-63.7-43.4172.600000111.7L16 F19 T21 A36 H42 Q43 I44L16-A40 HydrophobicContact CD1-CB 3.49Å; L16-A40 VanDerWaalsContact CD1-CB 3.49Å; F19-A40 HydrophobicContact CB-CB 4.25Å; F19-A40 HydrophobicContact CD1-CB 4.01Å; F19-A40 HydrophobicContact CD2-CB 4.3Å; F19-A40 HydrophobicContact CE1-CB 4.45Å; F19-A40 HydrophobicContact CG-CB 3.93Å; T21-A40 HydrophobicContact CG2-CB 4.33Å; A36-A40 PolarHBondContact O-N 2.88Å; A40-H42 VanDerWaalsContact C-N 3.3Å; A40-H42 PolarHBondContact O-N 3.41Å; A40-Q43 WeakPolarHBondContact O-CB 3.27Å; A40-Q43 PolarHBondContact O-N 3.24Å; A40-I44 WeakPolarHBondContact O-CG1 3.47Å; A40-I44 PolarHBondContact O-N 2.87Å
41L94.7Very high92.2Very high0 Ų032.2 Ų32.20%017%0.168CC..Hα-helixtrans-60.8-37.5174.1-75.9169.3000112.8M37 Q43 I44 D45 F49 W53 I75 V79 I118M37-L41 WeakPolarHBondContact O-CB 3.47Å; M37-L41 VanDerWaalsContact O-CG 3.27Å; M37-L41 WeakPolarHBondContact O-CG 3.41Å; M37-L41 PolarHBondContact O-N 3.25Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.49Å; L41-I44 HydrophobicContact CD2-CD1 4.23Å; L41-I44 PolarHBondContact O-N 3.44Å; L41-D45 PolarHBondContact O-N 3.25Å; L41-F49 HydrophobicContact CB-CB 4.3Å; L41-F49 HydrophobicContact CB-CD1 3.88Å; L41-F49 HydrophobicContact CB-CD2 4.09Å; L41-F49 HydrophobicContact CB-CE1 4.16Å; L41-F49 HydrophobicContact CB-CE2 4.39Å; L41-F49 HydrophobicContact CB-CG 3.84Å; L41-F49 HydrophobicContact CB-CZ 4.43Å; L41-F49 HydrophobicContact CD1-CD1 4.36Å; L41-F49 HydrophobicContact CD1-CE1 4.03Å; L41-F49 HydrophobicContact CD1-CZ 4.49Å; L41-F49 HydrophobicContact CD2-CD2 4.39Å; L41-F49 HydrophobicContact CD2-CE1 4.02Å; L41-F49 HydrophobicContact CD2-CE2 3.86Å; L41-F49 HydrophobicContact CD2-CZ 3.66Å; L41-F49 HydrophobicContact CG-CE1 4.31Å; L41-F49 HydrophobicContact CG-CZ 4.42Å; L41-F49 WeakPolarHBondContact O-CB 3.47Å; L41-F49 WeakPolarHBondContact O-CD2 3.48Å; L41-W53 HydrophobicContact CB-CH2 4.43Å; L41-W53 HydrophobicContact CB-CZ3 4.4Å; L41-W53 HydrophobicContact CD1-CH2 4.06Å; L41-I75 HydrophobicContact CD1-CG2 3.8Å; L41-V79 HydrophobicContact CD1-CG2 3.58Å; L41-V79 HydrophobicContact CD2-CG2 3.92Å; L41-V79 HydrophobicContact CG-CG2 4.43Å; L41-I118 HydrophobicContact CD1-CD1 4.19Å; L41-I118 HydrophobicContact CD1-CG1 4.2Å; L41-I118 HydrophobicContact CD2-CB 4.39Å; L41-I118 HydrophobicContact CD2-CG1 4.11Å; L41-I118 HydrophobicContact CD2-CG2 3.83Å; L41-I118 HydrophobicContact CG-CD1 4.44Å; L41-I118 HydrophobicContact CG-CG1 4.28Å; L41-I118 HydrophobicContact CG-CG2 4.13Å
42H94.3Very high92.2Very high52 Ų5235 Ų3524%0.24119%0.191CC..Hα-helixtrans-62.6-35.3172.6-178.760.1000112.8S38 Q39 A40 D45 P46 F49S38-H42 PolarHBondContact O-N 2.87Å; S38-H42 VanDerWaalsContact O-N 3.08Å; Q39-H42 WeakPolarHBondContact O-CB 3.33Å; Q39-H42 PolarHBondContact O-N 2.85Å; A40-H42 VanDerWaalsContact C-N 3.3Å; A40-H42 PolarHBondContact O-N 3.41Å; H42-D45 CarbonylContact O-C 3.56Å; H42-P46 VanDerWaalsContact O-CA 3.29Å; H42-P46 WeakPolarHBondContact O-CA 3.25Å; H42-P46 WeakPolarHBondContact O-CD 3.29Å; H42-P46 VanDerWaalsContact O-CG 3.28Å; H42-P46 WeakPolarHBondContact O-CG 3.31Å; H42-F49 PolarHBondContact ND1-O 3.42Å
43Q92.3Very high92.3Very high78 Ų7835.8 Ų35.836%0.36419%0.194SC..Hα-helixtrans-71.1-40.4173.3-65.5-177.729.500112.1F19 Q39 A40 L41 D45 Y131F19-Q43 HydrophobicContact CD1-CB 4.08Å; F19-Q43 HydrophobicContact CE1-CB 4.47Å; F19-Q43 PolarHBondContact O-NE2 3.47Å; F19-Q43 PolarHBondContact O-OE1 3.3Å; Q39-Q43 PolarHBondContact O-N 3Å; Q39-Q43 VanDerWaalsContact O-N 3.15Å; A40-Q43 WeakPolarHBondContact O-CB 3.27Å; A40-Q43 PolarHBondContact O-N 3.24Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.49Å; Q43-D45 PolarHBondContact O-N 3.03Å; Q43-Y131 PolarHBondContact O-OH 2.82Å; Q43-Y131 VanDerWaalsContact O-OH 3.08Å
44I92.6Very high92.3Very high1 Ų135.5 Ų35.51%0.00519%0.192CC..Hα-helixtrans-61.3-41.2-178.4-71.2162.6000112.9W15 F19 A40 L41 I118 C121 A122 C125 Y131W15-I44 HydrophobicContact CH2-CD1 4.41Å; F19-I44 HydrophobicContact CE1-CD1 4.12Å; F19-I44 HydrophobicContact CE1-CG1 3.67Å; F19-I44 HydrophobicContact CZ-CD1 4.03Å; F19-I44 HydrophobicContact CZ-CG1 3.95Å; A40-I44 WeakPolarHBondContact O-CG1 3.47Å; A40-I44 PolarHBondContact O-N 2.87Å; L41-I44 HydrophobicContact CD2-CD1 4.23Å; L41-I44 PolarHBondContact O-N 3.44Å; I44-I118 HydrophobicContact CD1-CG2 3.87Å; I44-C121 HydrophobicContact CG2-CB 4.3Å; I44-A122 HydrophobicContact CD1-CB 3.82Å; I44-A122 HydrophobicContact CG1-CB 3.92Å; I44-A122 HydrophobicContact CG2-CB 4.34Å; I44-C125 HydrophobicContact CG2-CB 4.23Å; I44-Y131 WeakPolarHBondContact CA-OH 3.36Å; I44-Y131 HydrophobicContact CG1-CE2 4.29Å
45D92.2Very high92.3Very high18 Ų1840 Ų4010%0.09622%0.223CC..  trans-152.992.8174-172.7-29000110.1L41 H42 Q43 T47 W48 F49 Y82L41-D45 PolarHBondContact O-N 3.25Å; H42-D45 CarbonylContact O-C 3.56Å; Q43-D45 PolarHBondContact O-N 3.03Å; D45-T47 PolarHBondContact O-N 2.86Å; D45-T47 VanDerWaalsContact O-N 3.15Å; D45-T47 WeakPolarHBondContact OD1-CA 3.49Å; D45-T47 WeakPolarHBondContact OD1-CB 3.49Å; D45-T47 PolarHBondContact OD1-N 2.83Å; D45-T47 PolarHBondContact OD1-OG1 2.93Å; D45-W48 HydrophobicContact CB-CB 4.39Å; D45-W48 PolarHBondContact O-N 3.47Å; D45-W48 PolarHBondContact OD1-N 3.35Å; D45-F49 HydrophobicContact CB-CD2 4.06Å; D45-F49 HydrophobicContact CB-CE2 4.46Å; D45-F49 WeakPolarHBondContact O-CB 3.49Å; D45-F49 PolarHBondContact O-N 3.23Å; D45-Y82 HydrophobicContact CB-CE2 4.22Å; D45-Y82 WeakPolarHBondContact OD2-CE2 3.49Å; D45-Y82 PolarHBondContact OD2-OH 2.81Å
46P91.4Very high92.2Very high63 Ų6347.5 Ų47.541%0.40925%0.251SS..THydrogen-bonded Turntrans-62.1-20.1178.9-21.930.8000113.7H42 N50H42-P46 VanDerWaalsContact O-CA 3.29Å; H42-P46 WeakPolarHBondContact O-CA 3.25Å; H42-P46 WeakPolarHBondContact O-CD 3.29Å; H42-P46 VanDerWaalsContact O-CG 3.28Å; H42-P46 WeakPolarHBondContact O-CG 3.31Å; P46-N50 VanDerWaalsContact O-CA 3.31Å; P46-N50 WeakPolarHBondContact O-CA 3.43Å; P46-N50 WeakPolarHBondContact O-CB 3.42Å; P46-N50 PolarHBondContact O-N 2.8Å
47T91.3Very high92.1Very high116 Ų11647.9 Ų47.971%0.71225%0.253SS*.THydrogen-bonded Turntrans-77.7-44.2-178.180.30000110.8D45D45-T47 PolarHBondContact O-N 2.86Å; D45-T47 VanDerWaalsContact O-N 3.15Å; D45-T47 WeakPolarHBondContact OD1-CA 3.49Å; D45-T47 WeakPolarHBondContact OD1-CB 3.49Å; D45-T47 PolarHBondContact OD1-N 2.83Å; D45-T47 PolarHBondContact OD1-OG1 2.93Å
48W92.4Very high91.8Very high50 Ų5053.6 Ų53.619%0.18928%0.278CS..THydrogen-bonded Turntrans-82.5-44.6179.2-174.6-106.4000113.1D45 N50 K78 D81 Y82 E85 V86D45-W48 HydrophobicContact CB-CB 4.39Å; D45-W48 PolarHBondContact O-N 3.47Å; D45-W48 PolarHBondContact OD1-N 3.35Å; W48-N50 VanDerWaalsContact C-N 3.34Å; W48-N50 PolarHBondContact O-N 2.85Å; W48-K78 VanDerWaalsContact CD2-NZ 3.29Å; W48-K78 HydrophobicContact CZ2-CD 4.18Å; W48-K78 VanDerWaalsContact NE1-CE 3.31Å; W48-K78 PolarHBondContact NE1-O 3.23Å; W48-K78 VanDerWaalsContact NE1-O 3.13Å; W48-K78 WeakPolarHBondContact O-CE 3.42Å; W48-K78 PolarHBondContact O-NZ 2.8Å; W48-D81 HydrophobicContact CZ2-CB 3.83Å; W48-Y82 HydrophobicContact CB-CD2 3.9Å; W48-Y82 HydrophobicContact CB-CE2 3.82Å; W48-Y82 AromaticContact CD1-CD2 3.25Å; W48-Y82 AromaticContact CD1-CG 3.91Å; W48-Y82 AromaticContact CD2-CD2 3.98Å; W48-Y82 HydrophobicContact CD2-CD2 3.98Å; W48-Y82 AromaticContact CG-CD2 3.43Å; W48-Y82 HydrophobicContact CG-CD2 3.43Å; W48-Y82 VanDerWaalsContact CG-CD2 3.43Å; W48-Y82 AromaticContact CG-CE2 3.9Å; W48-Y82 HydrophobicContact CG-CE2 3.9Å; W48-Y82 HydrophobicContact CG-CG 4.47Å; W48-Y82 AromaticContact NE1-CD2 3.63Å; W48-E85 HydrophobicContact CH2-CB 4.36Å; W48-E85 WeakPolarHBondContact CH2-OE2 3.46Å; W48-V86 HydrophobicContact CD2-CG2 4.02Å; W48-V86 HydrophobicContact CE3-CG2 3.91Å; W48-V86 HydrophobicContact CZ3-CG2 4.25Å
49F93.5Very high91.2Very high0 Ų058.1 Ų58.10%031%0.305CS..SBendtrans-97.946.6-179.1-59.1-77.9000111L41 H42 D45 W53 T54 K78 V79 Y82L41-F49 HydrophobicContact CB-CB 4.3Å; L41-F49 HydrophobicContact CB-CD1 3.88Å; L41-F49 HydrophobicContact CB-CD2 4.09Å; L41-F49 HydrophobicContact CB-CE1 4.16Å; L41-F49 HydrophobicContact CB-CE2 4.39Å; L41-F49 HydrophobicContact CB-CG 3.84Å; L41-F49 HydrophobicContact CB-CZ 4.43Å; L41-F49 HydrophobicContact CD1-CD1 4.36Å; L41-F49 HydrophobicContact CD1-CE1 4.03Å; L41-F49 HydrophobicContact CD1-CZ 4.49Å; L41-F49 HydrophobicContact CD2-CD2 4.39Å; L41-F49 HydrophobicContact CD2-CE1 4.02Å; L41-F49 HydrophobicContact CD2-CE2 3.86Å; L41-F49 HydrophobicContact CD2-CZ 3.66Å; L41-F49 HydrophobicContact CG-CE1 4.31Å; L41-F49 HydrophobicContact CG-CZ 4.42Å; L41-F49 WeakPolarHBondContact O-CB 3.47Å; L41-F49 WeakPolarHBondContact O-CD2 3.48Å; H42-F49 PolarHBondContact ND1-O 3.42Å; D45-F49 HydrophobicContact CB-CD2 4.06Å; D45-F49 HydrophobicContact CB-CE2 4.46Å; D45-F49 WeakPolarHBondContact O-CB 3.49Å; D45-F49 PolarHBondContact O-N 3.23Å; F49-W53 HydrophobicContact CB-CE3 3.95Å; F49-W53 HydrophobicContact CB-CZ3 3.93Å; F49-W53 HydrophobicContact CD1-CD2 4.49Å; F49-W53 HydrophobicContact CD1-CE3 4.07Å; F49-W53 AromaticContact CD1-CH2 3.77Å; F49-W53 HydrophobicContact CD1-CH2 3.77Å; F49-W53 HydrophobicContact CD1-CZ2 4.21Å; F49-W53 AromaticContact CD1-CZ3 3.69Å; F49-W53 HydrophobicContact CD1-CZ3 3.69Å; F49-W53 HydrophobicContact CE1-CH2 4.4Å; F49-W53 HydrophobicContact CG-CZ3 4.25Å; F49-T54 PolarHBondContact O-OG1 3.21Å; F49-K78 HydrophobicContact CD1-CG 3.7Å; F49-K78 HydrophobicContact CE1-CB 4.17Å; F49-K78 HydrophobicContact CE1-CG 3.57Å; F49-V79 HydrophobicContact CE1-CG2 4.24Å; F49-V79 HydrophobicContact CZ-CG2 4.27Å; F49-Y82 HydrophobicContact CE2-CD1 4.38Å; F49-Y82 HydrophobicContact CE2-CD2 4.13Å; F49-Y82 HydrophobicContact CE2-CE2 4.35Å; F49-Y82 HydrophobicContact CE2-CG 4.12Å; F49-Y82 HydrophobicContact CZ-CD2 4.4Å; F49-Y82 HydrophobicContact CZ-CG 4.08Å
50N92.1Very high90.4Very high65 Ų6562.6 Ų62.635%0.34833%0.33SS..  trans-61.6163.8-174.46056.1000115P46 W48 A52 W53 T54P46-N50 VanDerWaalsContact O-CA 3.31Å; P46-N50 WeakPolarHBondContact O-CA 3.43Å; P46-N50 WeakPolarHBondContact O-CB 3.42Å; P46-N50 PolarHBondContact O-N 2.8Å; W48-N50 VanDerWaalsContact C-N 3.34Å; W48-N50 PolarHBondContact O-N 2.85Å; N50-A52 PolarHBondContact O-N 3.5Å; N50-A52 VanDerWaalsContact O-N 3.1Å; N50-A52 WeakPolarHBondContact OD1-CB 3.48Å; N50-A52 PolarHBondContact OD1-N 3.25Å; N50-W53 WeakPolarHBondContact O-CA 3.46Å; N50-W53 WeakPolarHBondContact O-CB 3.37Å; N50-W53 PolarHBondContact O-N 3.43Å; N50-W53 PolarHBondContact OD1-N 2.98Å; N50-W53 VanDerWaalsContact OD1-N 3.14Å; N50-T54 PolarHBondContact O-N 3.25Å; N50-T54 PolarHBondContact O-OG1 3.45Å
51E90.3Very high89.7Confident149 Ų14962.9 Ų62.970%0.69633%0.332SS*.Hα-helixtrans-53.6-33.4179.8-61.5-177.9167.900113.7W53 T54 S55E51-W53 PolarHBondContact O-N 2.89Å; E51-T54 PolarHBondContact O-N 2.87Å; E51-S55 VanDerWaalsContact O-CB 3.28Å; E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 2.86Å; E51-S55 PolarHBondContact O-OG 3.49Å
52A90.8Very high88.7Confident59 Ų5970.6 Ų70.649%0.48837%0.368SS..Hα-helixtrans-73.4-12.2177.900000113.7N50 R56N50-A52 PolarHBondContact O-N 3.5Å; N50-A52 VanDerWaalsContact O-N 3.1Å; N50-A52 WeakPolarHBondContact OD1-CB 3.48Å; N50-A52 PolarHBondContact OD1-N 3.25Å; A52-R56 WeakPolarHBondContact O-CG 3.41Å; A52-R56 PolarHBondContact O-NE 3.23Å
53W94.1Very high87.9Confident21 Ų2175 Ų758%0.0839%0.393CS..Hα-helixtrans-93.6-46.5165.1171.384000111.3L41 F49 N50 E51 S55 R56 I75 K78L41-W53 HydrophobicContact CB-CH2 4.43Å; L41-W53 HydrophobicContact CB-CZ3 4.4Å; L41-W53 HydrophobicContact CD1-CH2 4.06Å; F49-W53 HydrophobicContact CB-CE3 3.95Å; F49-W53 HydrophobicContact CB-CZ3 3.93Å; F49-W53 HydrophobicContact CD1-CD2 4.49Å; F49-W53 HydrophobicContact CD1-CE3 4.07Å; F49-W53 AromaticContact CD1-CH2 3.77Å; F49-W53 HydrophobicContact CD1-CH2 3.77Å; F49-W53 HydrophobicContact CD1-CZ2 4.21Å; F49-W53 AromaticContact CD1-CZ3 3.69Å; F49-W53 HydrophobicContact CD1-CZ3 3.69Å; F49-W53 HydrophobicContact CE1-CH2 4.4Å; F49-W53 HydrophobicContact CG-CZ3 4.25Å; N50-W53 WeakPolarHBondContact O-CA 3.46Å; N50-W53 WeakPolarHBondContact O-CB 3.37Å; N50-W53 PolarHBondContact O-N 3.43Å; N50-W53 PolarHBondContact OD1-N 2.98Å; N50-W53 VanDerWaalsContact OD1-N 3.14Å; E51-W53 PolarHBondContact O-N 2.89Å; W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 2.75Å; W53-R56 WeakPolarHBondContact O-CA 3.41Å; W53-R56 WeakPolarHBondContact O-CB 3.29Å; W53-R56 WeakPolarHBondContact O-CG 3.36Å; W53-R56 PolarHBondContact O-N 2.94Å; W53-I75 HydrophobicContact CH2-CG1 4.27Å; W53-I75 HydrophobicContact CZ2-CG1 4.23Å; W53-K78 HydrophobicContact CD2-CG 4.26Å; W53-K78 HydrophobicContact CZ2-CB 3.78Å; W53-K78 HydrophobicContact CZ2-CG 3.93Å
54T89.6Confident87.8Confident26 Ų2674.9 Ų74.916%0.1640%0.395CS..Hα-helixtrans-59.2-39.6-179.1-49.20000111.8F49 N50 E51 R56 I57F49-T54 PolarHBondContact O-OG1 3.21Å; N50-T54 PolarHBondContact O-N 3.25Å; N50-T54 PolarHBondContact O-OG1 3.45Å; E51-T54 PolarHBondContact O-N 2.87Å; T54-R56 PolarHBondContact O-N 3.42Å; T54-R56 VanDerWaalsContact O-N 3.08Å; T54-I57 WeakPolarHBondContact O-CB 3.29Å; T54-I57 PolarHBondContact O-N 2.93Å
55S88.8Confident87.6Confident93 Ų9378.6 Ų78.665%0.6541%0.409SS*.THydrogen-bonded Turntrans-62.3-11.4172.652.80000115.3E51 W53E51-S55 VanDerWaalsContact O-CB 3.28Å; E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 2.86Å; E51-S55 PolarHBondContact O-OG 3.49Å; W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 2.75Å
56R90.1Very high87.5Confident162 Ų16285.8 Ų85.861%0.61144%0.435SS*.THydrogen-bonded Turntrans-86.8-11.3172.7-50.9179.1-170.9-167-0112.7A52 W53 T54 K74A52-R56 WeakPolarHBondContact O-CG 3.41Å; A52-R56 PolarHBondContact O-NE 3.23Å; W53-R56 WeakPolarHBondContact O-CA 3.41Å; W53-R56 WeakPolarHBondContact O-CB 3.29Å; W53-R56 WeakPolarHBondContact O-CG 3.36Å; W53-R56 PolarHBondContact O-N 2.94Å; T54-R56 PolarHBondContact O-N 3.42Å; T54-R56 VanDerWaalsContact O-N 3.08Å; R56-K74 PolarHBondContact O-NZ 2.89Å
57I91.2Very high87.5Confident8 Ų885.4 Ų85.44%0.04143%0.429CS..SBendtrans-86.6118.5171.1-53-56.3000106.7T54 N71 K74 I75T54-I57 WeakPolarHBondContact O-CB 3.29Å; T54-I57 PolarHBondContact O-N 2.93Å; I57-N71 HydrophobicContact CG2-CB 4.04Å; I57-K74 HydrophobicContact CD1-CB 3.8Å; I57-K74 HydrophobicContact CD1-CD 3.81Å; I57-I75 HydrophobicContact CD1-CD1 4.48Å; I57-I75 HydrophobicContact CD1-CG1 4.06Å
58K87.1Confident87.5Confident121 Ų12181.1 Ų81.153%0.52640%0.401SS..  trans-78130.8177.4-68.9-171.1172.9-165.60109V61 N71K58-V61 HydrophobicContact CB-CG2 3.64Å; K58-V61 WeakPolarHBondContact O-CG2 3.49Å; K58-N71 PolarHBondContact N-OD1 2.71Å; K58-N71 PolarHBondContact O-ND2 3.46Å
59T79.5Confident87.5Confident98 Ų9879.9 Ų79.960%0.60140%0.398SS*.SBendtrans-88.3-38.9173.348.80000111.5A35 V61A35-T59 HydrophobicContact CB-CG2 4.06Å; T59-V61 PolarHBondContact O-N 3.11Å; T59-V61 VanDerWaalsContact O-N 3.12Å
60D77.4Confident87.5Confident134 Ų13483.6 Ų83.672%0.71742%0.417SS*.  trans-78.589.5174.7-172.323.9000110.7
61V77.7Confident87.6Confident6 Ų680.6 Ų80.64%0.03640%0.401CS..  trans-131.2-17.2-169.3175.90000113.6K58 T59 N64 L67 K68K58-V61 HydrophobicContact CB-CG2 3.64Å; K58-V61 WeakPolarHBondContact O-CG2 3.49Å; T59-V61 PolarHBondContact O-N 3.11Å; T59-V61 VanDerWaalsContact O-N 3.12Å; V61-N64 WeakPolarHBondContact O-CB 3.44Å; V61-N64 PolarHBondContact O-N 2.96Å; V61-N64 VanDerWaalsContact O-N 3.1Å; V61-L67 HydrophobicContact CG1-CB 3.7Å; V61-L67 HydrophobicContact CG2-CB 4.5Å; V61-K68 HydrophobicContact CG1-CB 4.45Å; V61-K68 HydrophobicContact CG1-CG 3.53Å
62E73.9Confident87.8Confident162 Ų16273.5 Ų73.576%0.75737%0.368SS*.THydrogen-bonded Turntrans41.2-136.2-176.6-60.7-173.4153.400111.9N64 K68E62-N64 VanDerWaalsContact C-N 3.3Å; E62-N64 PolarHBondContact O-N 3.18Å; E62-K68 WeakPolarHBondContact O-CE 3.44Å; E62-K68 PolarHBondContact O-NZ 2.81Å
63D78.1Confident87.9Confident144 Ų14475.8 Ų75.877%0.7737%0.367SS*.THydrogen-bonded Turntrans-89.216.5177.7-69.3-37.4000114.1W65 K68D63-W65 VanDerWaalsContact C-N 3.35Å; D63-W65 PolarHBondContact O-N 2.85Å; D63-K68 IonicContact OD1-NZ 2.74Å
64N89.9Confident87.9Confident76 Ų7678 Ų7841%0.40638%0.377SS..  trans-77.883.7-179-167.1-25.1000111.5V61 E62 R66 L67 K68V61-N64 WeakPolarHBondContact O-CB 3.44Å; V61-N64 PolarHBondContact O-N 2.96Å; V61-N64 VanDerWaalsContact O-N 3.1Å; E62-N64 VanDerWaalsContact C-N 3.3Å; E62-N64 PolarHBondContact O-N 3.18Å; N64-R66 PolarHBondContact O-N 2.81Å; N64-R66 PolarHBondContact OD1-N 2.92Å; N64-L67 HydrophobicContact CB-CB 4.28Å; N64-L67 HydrophobicContact CB-CD1 4.13Å; N64-L67 HydrophobicContact CB-CG 4.33Å; N64-L67 WeakPolarHBondContact O-CA 3.32Å; N64-L67 WeakPolarHBondContact O-CB 3.25Å; N64-L67 PolarHBondContact O-N 2.85Å; N64-K68 PolarHBondContact O-N 3.34Å
65W89.3Confident88.1Confident80 Ų8076.8 Ų76.830%0.30337%0.37SS..Hα-helixtrans-51.1-30.1-178.674.6-101.1000114.2D63 K68 M69 A103 E104D63-W65 VanDerWaalsContact C-N 3.35Å; D63-W65 PolarHBondContact O-N 2.85Å; W65-K68 PolarHBondContact O-N 3.17Å; W65-M69 HydrophobicContact CE3-CE 4.4Å; W65-M69 HydrophobicContact CZ3-CE 3.8Å; W65-M69 WeakPolarHBondContact O-CB 3.21Å; W65-M69 PolarHBondContact O-N 2.96Å; W65-A103 WeakPolarHBondContact CB-O 3.45Å; W65-E104 HydrophobicContact CD2-CB 4.46Å; W65-E104 HydrophobicContact CD2-CG 4.33Å; W65-E104 HydrophobicContact CE3-CB 4.3Å
66R90Very high88.4Confident169 Ų16973.5 Ų73.564%0.63835%0.345SS*.Hα-helixtrans-70.4-30.8177.2-66.2-169.7177.1109.50.4113N64 N70N64-R66 PolarHBondContact O-N 2.81Å; N64-R66 PolarHBondContact OD1-N 2.92Å; R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.27Å
67L89.8Confident88.5Confident55 Ų5571 Ų7129%0.28834%0.34SS..Hα-helixtrans-79.3-40.5173.1-70.5179.5000110.9V61 N64 N70 N71V61-L67 HydrophobicContact CG1-CB 3.7Å; V61-L67 HydrophobicContact CG2-CB 4.5Å; N64-L67 HydrophobicContact CB-CB 4.28Å; N64-L67 HydrophobicContact CB-CD1 4.13Å; N64-L67 HydrophobicContact CB-CG 4.33Å; N64-L67 WeakPolarHBondContact O-CA 3.32Å; N64-L67 WeakPolarHBondContact O-CB 3.25Å; N64-L67 PolarHBondContact O-N 2.85Å; L67-N70 WeakPolarHBondContact O-CB 3.36Å; L67-N70 PolarHBondContact O-N 3.38Å; L67-N71 PolarHBondContact O-N 2.86Å
68K91.9Very high88.6Confident25 Ų2572.4 Ų72.411%0.10935%0.346CS..Hα-helixtrans-52.4-55.2169.7-65.5-173.6175.7-171.10111.2T32 V61 E62 D63 N64 W65 N70 N71 L72 A103T32-K68 VanDerWaalsContact O-CB 3.32Å; T32-K68 WeakPolarHBondContact O-CB 3.4Å; T32-K68 WeakPolarHBondContact OG1-CD 3.45Å; T32-K68 PolarHBondContact OG1-NZ 3.47Å; T32-K68 VanDerWaalsContact OG1-NZ 3.09Å; V61-K68 HydrophobicContact CG1-CB 4.45Å; V61-K68 HydrophobicContact CG1-CG 3.53Å; E62-K68 WeakPolarHBondContact O-CE 3.44Å; E62-K68 PolarHBondContact O-NZ 2.81Å; D63-K68 IonicContact OD1-NZ 2.74Å; N64-K68 PolarHBondContact O-N 3.34Å; W65-K68 PolarHBondContact O-N 3.17Å; K68-N70 VanDerWaalsContact C-N 3.27Å; K68-N70 PolarHBondContact O-N 3.03Å; K68-N71 WeakPolarHBondContact O-CB 3.07Å; K68-N71 PolarHBondContact O-N 3.08Å; K68-N71 VanDerWaalsContact O-N 3.13Å; K68-L72 WeakPolarHBondContact O-CG 3.26Å; K68-L72 PolarHBondContact O-N 3.23Å; K68-A103 HydrophobicContact CB-CB 4.14Å
69M93.3Very high88.9Confident25 Ų2566.7 Ų66.712%0.12332%0.321CS..Hα-helixtrans-47.6-44.7170.7164.284.683.800113W65 K73 V99 S100 A103W65-M69 HydrophobicContact CE3-CE 4.4Å; W65-M69 HydrophobicContact CZ3-CE 3.8Å; W65-M69 WeakPolarHBondContact O-CB 3.21Å; W65-M69 PolarHBondContact O-N 2.96Å; M69-K73 HydrophobicContact CG-CD 4.17Å; M69-K73 WeakPolarHBondContact O-CB 3.4Å; M69-K73 WeakPolarHBondContact O-CG 3.44Å; M69-K73 PolarHBondContact O-N 3.34Å; M69-K73 HydrophobicContact SD-CD 3.88Å; M69-K73 WeakPolarHBondContact SD-CE 3.29Å; M69-K73 HydrophobicContact SD-CG 4.4Å; M69-K73 PolarHBondContact SD-NZ 3.48Å; M69-V99 HydrophobicContact SD-CG2 4.41Å; M69-S100 VanDerWaalsContact CE-CA 3.4Å; M69-S100 VanDerWaalsContact CE-CB 3.48Å; M69-A103 HydrophobicContact CB-CB 3.69Å
70N93.1Very high89.5Confident77 Ų7763.3 Ų63.341%0.41230%0.3SS..Hα-helixtrans-68.8-40.9-177-166.9-61.2000111.4R66 L67 K68 K74R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.27Å; L67-N70 WeakPolarHBondContact O-CB 3.36Å; L67-N70 PolarHBondContact O-N 3.38Å; K68-N70 VanDerWaalsContact C-N 3.27Å; K68-N70 PolarHBondContact O-N 3.03Å; N70-K74 WeakPolarHBondContact O-CG 3.29Å; N70-K74 PolarHBondContact O-N 3.26Å; N70-K74 WeakPolarHBondContact OD1-CE 3.28Å; N70-K74 PolarHBondContact OD1-NZ 2.99Å
71N94.1Very high90.2Very high3 Ų358.9 Ų58.92%0.01628%0.277CS..Hα-helixtrans-61.9-52172-73.2-9.4000111.3T33 I57 K58 L67 K68 K73 K74 I75T33-N71 WeakPolarHBondContact O-CB 3.38Å; T33-N71 PolarHBondContact O-ND2 2.84Å; I57-N71 HydrophobicContact CG2-CB 4.04Å; K58-N71 PolarHBondContact N-OD1 2.71Å; K58-N71 PolarHBondContact O-ND2 3.46Å; L67-N71 PolarHBondContact O-N 2.86Å; K68-N71 WeakPolarHBondContact O-CB 3.07Å; K68-N71 PolarHBondContact O-N 3.08Å; K68-N71 VanDerWaalsContact O-N 3.13Å; N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 PolarHBondContact O-N 3.47Å; N71-K74 WeakPolarHBondContact O-CB 3.38Å; N71-K74 PolarHBondContact O-N 2.94Å; N71-I75 WeakPolarHBondContact O-CG1 3.48Å; N71-I75 PolarHBondContact O-N 3.28Å
72L93.6Very high90.9Very high0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-60.4-37180-63.8176000112.4M37 K68 I75 L76 V99 V102 A103 L114M37-L72 HydrophobicContact CE-CD2 3.46Å; M37-L72 VanDerWaalsContact CE-CD2 3.46Å; K68-L72 WeakPolarHBondContact O-CG 3.26Å; K68-L72 PolarHBondContact O-N 3.23Å; L72-I75 PolarHBondContact O-N 3.44Å; L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 PolarHBondContact O-N 2.84Å; L72-V99 HydrophobicContact CB-CB 3.95Å; L72-V99 HydrophobicContact CB-CG1 3.95Å; L72-V102 HydrophobicContact CD1-CB 3.94Å; L72-V102 HydrophobicContact CD1-CG1 3.6Å; L72-A103 HydrophobicContact CD1-CB 4.2Å; L72-L114 HydrophobicContact CD2-CD2 3.94Å
73K93.6Very high91.7Very high106 Ų10651 Ų5146%0.46124%0.239SC..Hα-helixtrans-62.3-40.8172.3-81.9178.2170.8164.50113.3M69 N71 Q77 V99M69-K73 HydrophobicContact CG-CD 4.17Å; M69-K73 WeakPolarHBondContact O-CB 3.4Å; M69-K73 WeakPolarHBondContact O-CG 3.44Å; M69-K73 PolarHBondContact O-N 3.34Å; M69-K73 HydrophobicContact SD-CD 3.88Å; M69-K73 WeakPolarHBondContact SD-CE 3.29Å; M69-K73 HydrophobicContact SD-CG 4.4Å; M69-K73 PolarHBondContact SD-NZ 3.48Å; N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 PolarHBondContact O-N 3.47Å; K73-Q77 VanDerWaalsContact O-CB 3.28Å; K73-Q77 WeakPolarHBondContact O-CB 3.37Å; K73-Q77 PolarHBondContact O-N 3.25Å; K73-V99 HydrophobicContact CD-CG2 4.36Å; K73-V99 HydrophobicContact CG-CG2 3.55Å
74K93.6Very high92.2Very high69 Ų6948 Ų4830%0.322%0.223SC..Hα-helixtrans-66.6-38175.2-68.8163.3-178.6157.20112R56 I57 N70 N71 K78R56-K74 PolarHBondContact O-NZ 2.89Å; I57-K74 HydrophobicContact CD1-CB 3.8Å; I57-K74 HydrophobicContact CD1-CD 3.81Å; N70-K74 WeakPolarHBondContact O-CG 3.29Å; N70-K74 PolarHBondContact O-N 3.26Å; N70-K74 WeakPolarHBondContact OD1-CE 3.28Å; N70-K74 PolarHBondContact OD1-NZ 2.99Å; N71-K74 WeakPolarHBondContact O-CB 3.38Å; N71-K74 PolarHBondContact O-N 2.94Å; K74-K78 VanDerWaalsContact O-CB 3.28Å; K74-K78 WeakPolarHBondContact O-CB 3.43Å; K74-K78 PolarHBondContact O-N 2.88Å
75I94.9Very high92.2Very high0 Ų051 Ų510%024%0.235CC..Hα-helixtrans-66.1-55.5178-67.8163.7000109.8G34 M37 L41 W53 I57 N71 L72 Q77 K78 V79 I118G34-I75 WeakPolarHBondContact O-CD1 3.49Å; M37-I75 HydrophobicContact CB-CD1 4.36Å; L41-I75 HydrophobicContact CD1-CG2 3.8Å; W53-I75 HydrophobicContact CH2-CG1 4.27Å; W53-I75 HydrophobicContact CZ2-CG1 4.23Å; I57-I75 HydrophobicContact CD1-CD1 4.48Å; I57-I75 HydrophobicContact CD1-CG1 4.06Å; N71-I75 WeakPolarHBondContact O-CG1 3.48Å; N71-I75 PolarHBondContact O-N 3.28Å; L72-I75 PolarHBondContact O-N 3.44Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.45Å; I75-K78 PolarHBondContact O-N 2.84Å; I75-V79 HydrophobicContact CG2-CG2 4.49Å; I75-V79 WeakPolarHBondContact O-CB 3.47Å; I75-V79 WeakPolarHBondContact O-CG2 3.33Å; I75-V79 PolarHBondContact O-N 2.94Å; I75-I118 HydrophobicContact CG2-CD1 4.41Å
76L93.8Very high92.2Very high23 Ų2350.5 Ų50.512%0.1224%0.24CC..Hα-helixtrans-57-46.1178.4178.160.9000111.9L72 V79 V80 L96 P97 V99 L114 L117L72-L76 WeakPolarHBondContact O-CB 3.36Å; L72-L76 PolarHBondContact O-N 2.84Å; L76-V79 PolarHBondContact O-N 3.46Å; L76-V80 HydrophobicContact CD1-CG2 3.99Å; L76-V80 HydrophobicContact CG-CG2 4.44Å; L76-V80 WeakPolarHBondContact O-CB 3.36Å; L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 2.96Å; L76-L96 HydrophobicContact CD1-CD2 4.43Å; L76-P97 HydrophobicContact CD1-CG 3.82Å; L76-P97 HydrophobicContact CD2-CG 4.14Å; L76-V99 HydrophobicContact CB-CG1 4.15Å; L76-V99 HydrophobicContact CD2-CG1 3.86Å; L76-L114 HydrophobicContact CB-CD1 4.2Å; L76-L114 HydrophobicContact CD1-CD1 4.1Å; L76-L117 HydrophobicContact CD1-CD1 3.86Å
77Q93.5Very high91.9Very high111 Ų11144.1 Ų44.152%0.51922%0.219SC..Hα-helixtrans-58.7-51.4177.3-173.566.56000111.1K73 I75 V79 V80 D81K73-Q77 VanDerWaalsContact O-CB 3.28Å; K73-Q77 WeakPolarHBondContact O-CB 3.37Å; K73-Q77 PolarHBondContact O-N 3.25Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.45Å; Q77-V79 VanDerWaalsContact C-N 3.27Å; Q77-V79 PolarHBondContact O-N 2.99Å; Q77-V80 PolarHBondContact O-N 3.45Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; Q77-D81 PolarHBondContact NE2-OD1 3.32Å; Q77-D81 WeakPolarHBondContact O-CB 3.16Å; Q77-D81 PolarHBondContact O-N 3.43Å
78K93.3Very high91.6Very high37 Ų3745.8 Ų45.816%0.16124%0.24CC..Hα-helixtrans-66.2-28.9-176.3-169.664.1171.9157.70113.2W48 F49 W53 K74 I75 Y82W48-K78 VanDerWaalsContact CD2-NZ 3.29Å; W48-K78 HydrophobicContact CZ2-CD 4.18Å; W48-K78 VanDerWaalsContact NE1-CE 3.31Å; W48-K78 PolarHBondContact NE1-O 3.23Å; W48-K78 VanDerWaalsContact NE1-O 3.13Å; W48-K78 WeakPolarHBondContact O-CE 3.42Å; W48-K78 PolarHBondContact O-NZ 2.8Å; F49-K78 HydrophobicContact CD1-CG 3.7Å; F49-K78 HydrophobicContact CE1-CB 4.17Å; F49-K78 HydrophobicContact CE1-CG 3.57Å; W53-K78 HydrophobicContact CD2-CG 4.26Å; W53-K78 HydrophobicContact CZ2-CB 3.78Å; W53-K78 HydrophobicContact CZ2-CG 3.93Å; K74-K78 VanDerWaalsContact O-CB 3.28Å; K74-K78 WeakPolarHBondContact O-CB 3.43Å; K74-K78 PolarHBondContact O-N 2.88Å; I75-K78 PolarHBondContact O-N 2.84Å; K78-Y82 WeakPolarHBondContact O-CB 3.36Å; K78-Y82 PolarHBondContact O-N 2.82Å
79V92.8Very high91Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-71.6-45.9171.8166.70000111.2L41 F49 I75 L76 Q77 D81 Y82 Y83 L117 I118L41-V79 HydrophobicContact CD1-CG2 3.58Å; L41-V79 HydrophobicContact CD2-CG2 3.92Å; L41-V79 HydrophobicContact CG-CG2 4.43Å; F49-V79 HydrophobicContact CE1-CG2 4.24Å; F49-V79 HydrophobicContact CZ-CG2 4.27Å; I75-V79 HydrophobicContact CG2-CG2 4.49Å; I75-V79 WeakPolarHBondContact O-CB 3.47Å; I75-V79 WeakPolarHBondContact O-CG2 3.33Å; I75-V79 PolarHBondContact O-N 2.94Å; L76-V79 PolarHBondContact O-N 3.46Å; Q77-V79 VanDerWaalsContact C-N 3.27Å; Q77-V79 PolarHBondContact O-N 2.99Å; V79-D81 VanDerWaalsContact C-N 3.32Å; V79-D81 PolarHBondContact O-N 3.02Å; V79-Y82 WeakPolarHBondContact O-CB 3.23Å; V79-Y82 PolarHBondContact O-N 3.27Å; V79-Y83 HydrophobicContact CG1-CD2 3.96Å; V79-Y83 HydrophobicContact CG1-CE2 3.76Å; V79-Y83 WeakPolarHBondContact O-CD2 3.46Å; V79-Y83 PolarHBondContact O-N 3.37Å; V79-L117 HydrophobicContact CG1-CB 3.95Å; V79-I118 HydrophobicContact CG2-CG1 4.26Å
80V91.8Very high90.2Very high27 Ų2750.5 Ų50.516%0.16427%0.265CS..Hα-helixtrans-63.2-39.5174.5171.10000111.1L76 Q77 Y83 N84 L96L76-V80 HydrophobicContact CD1-CG2 3.99Å; L76-V80 HydrophobicContact CG-CG2 4.44Å; L76-V80 WeakPolarHBondContact O-CB 3.36Å; L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.4Å; L76-V80 PolarHBondContact O-N 2.96Å; Q77-V80 PolarHBondContact O-N 3.45Å; Q77-V80 VanDerWaalsContact O-N 3.16Å; V80-Y83 PolarHBondContact O-N 2.78Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.42Å; V80-N84 PolarHBondContact O-N 2.93Å; V80-N84 VanDerWaalsContact O-N 3.14Å; V80-N84 PolarHBondContact O-ND2 2.85Å; V80-L96 HydrophobicContact CG2-CD2 3.73Å
81D92.3Very high89.3Confident42 Ų4247.3 Ų47.323%0.22525%0.248CC..Hα-helixtrans-62.7-41.8173.7-57.4-21.4000110.6W48 Q77 V79 Y83 N84 E85W48-D81 HydrophobicContact CZ2-CB 3.83Å; Q77-D81 PolarHBondContact NE2-OD1 3.32Å; Q77-D81 WeakPolarHBondContact O-CB 3.16Å; Q77-D81 PolarHBondContact O-N 3.43Å; V79-D81 VanDerWaalsContact C-N 3.32Å; V79-D81 PolarHBondContact O-N 3.02Å; D81-Y83 VanDerWaalsContact C-N 3.32Å; D81-Y83 PolarHBondContact O-N 2.84Å; D81-N84 PolarHBondContact O-N 3.47Å; D81-E85 VanDerWaalsContact O-CB 3.32Å; D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 2.6Å
82Y92.4Very high88.3Confident1 Ų152.2 Ų52.20%0.00428%0.283CS..Hα-helixtrans-58.1-43.3175.3-168.6-115.5000112.2D45 W48 F49 K78 V79 V86 L87 C121 C125D45-Y82 HydrophobicContact CB-CE2 4.22Å; D45-Y82 WeakPolarHBondContact OD2-CE2 3.49Å; D45-Y82 PolarHBondContact OD2-OH 2.81Å; W48-Y82 HydrophobicContact CB-CD2 3.9Å; W48-Y82 HydrophobicContact CB-CE2 3.82Å; W48-Y82 AromaticContact CD1-CD2 3.25Å; W48-Y82 AromaticContact CD1-CG 3.91Å; W48-Y82 AromaticContact CD2-CD2 3.98Å; W48-Y82 HydrophobicContact CD2-CD2 3.98Å; W48-Y82 AromaticContact CG-CD2 3.43Å; W48-Y82 HydrophobicContact CG-CD2 3.43Å; W48-Y82 VanDerWaalsContact CG-CD2 3.43Å; W48-Y82 AromaticContact CG-CE2 3.9Å; W48-Y82 HydrophobicContact CG-CE2 3.9Å; W48-Y82 HydrophobicContact CG-CG 4.47Å; W48-Y82 AromaticContact NE1-CD2 3.63Å; F49-Y82 HydrophobicContact CE2-CD1 4.38Å; F49-Y82 HydrophobicContact CE2-CD2 4.13Å; F49-Y82 HydrophobicContact CE2-CE2 4.35Å; F49-Y82 HydrophobicContact CE2-CG 4.12Å; F49-Y82 HydrophobicContact CZ-CD2 4.4Å; F49-Y82 HydrophobicContact CZ-CG 4.08Å; K78-Y82 WeakPolarHBondContact O-CB 3.36Å; K78-Y82 PolarHBondContact O-N 2.82Å; V79-Y82 WeakPolarHBondContact O-CB 3.23Å; V79-Y82 PolarHBondContact O-N 3.27Å; Y82-V86 HydrophobicContact CD2-CB 3.63Å; Y82-V86 HydrophobicContact CD2-CG1 4.14Å; Y82-V86 HydrophobicContact CD2-CG2 3.51Å; Y82-V86 HydrophobicContact CE2-CB 3.66Å; Y82-V86 HydrophobicContact CE2-CG1 3.62Å; Y82-V86 HydrophobicContact CE2-CG2 3.75Å; Y82-V86 HydrophobicContact CG-CB 4.31Å; Y82-V86 HydrophobicContact CG-CG2 4.46Å; Y82-V86 WeakPolarHBondContact O-CA 3.43Å; Y82-V86 WeakPolarHBondContact O-CB 3.34Å; Y82-V86 PolarHBondContact O-N 3.43Å; Y82-L87 HydrophobicContact CD1-CD1 3.76Å; Y82-L87 HydrophobicContact CD1-CG 3.95Å; Y82-L87 HydrophobicContact CE1-CD1 3.74Å; Y82-L87 HydrophobicContact CE1-CD2 4.01Å; Y82-L87 HydrophobicContact CE1-CG 3.82Å; Y82-L87 PolarHBondContact O-N 3.32Å; Y82-C121 HydrophobicContact CD1-CB 3.96Å; Y82-C121 HydrophobicContact CE1-CB 3.97Å; Y82-C125 WeakPolarHBondContact OH-CB 3.35Å
83Y90.1Very high87.3Confident1 Ų157.6 Ų57.60%0.00431%0.306CS..Hα-helixtrans-64.4-42.3178.8-83.5-62.9000113.8V79 V80 D81 L87 A88 Q89 I91 L117 G120 C121 R124V79-Y83 HydrophobicContact CG1-CD2 3.96Å; V79-Y83 HydrophobicContact CG1-CE2 3.76Å; V79-Y83 WeakPolarHBondContact O-CD2 3.46Å; V79-Y83 PolarHBondContact O-N 3.37Å; V80-Y83 PolarHBondContact O-N 2.78Å; D81-Y83 VanDerWaalsContact C-N 3.32Å; D81-Y83 PolarHBondContact O-N 2.84Å; Y83-L87 HydrophobicContact CD1-CB 4.27Å; Y83-L87 HydrophobicContact CD1-CD1 3.47Å; Y83-L87 VanDerWaalsContact CD1-CD1 3.47Å; Y83-L87 HydrophobicContact CD1-CG 4.4Å; Y83-L87 HydrophobicContact CE1-CD1 3.5Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.5Å; Y83-L87 HydrophobicContact CG-CD1 4.41Å; Y83-L87 CarbonylContact O-C 3.53Å; Y83-A88 PolarHBondContact O-N 3.36Å; Y83-A88 VanDerWaalsContact O-N 3.1Å; Y83-Q89 PolarHBondContact O-N 3.28Å; Y83-I91 HydrophobicContact CD1-CD1 3.27Å; Y83-I91 HydrophobicContact CD1-CG1 4.1Å; Y83-I91 HydrophobicContact CD2-CD1 3.7Å; Y83-I91 HydrophobicContact CE1-CD1 3.49Å; Y83-I91 VanDerWaalsContact CE1-CD1 3.49Å; Y83-I91 HydrophobicContact CE2-CD1 3.87Å; Y83-I91 HydrophobicContact CG-CD1 3.37Å; Y83-I91 HydrophobicContact CG-CG1 4.02Å; Y83-L117 HydrophobicContact CE2-CB 4.32Å; Y83-L117 HydrophobicContact CE2-CD2 3.94Å; Y83-L117 WeakPolarHBondContact CE2-O 3.47Å; Y83-L117 PolarHBondContact OH-O 2.94Å; Y83-G120 WeakPolarHBondContact OH-CA 3.41Å; Y83-G120 PolarHBondContact OH-O 3.43Å; Y83-C121 VanDerWaalsContact CE2-SG 3.53Å; Y83-C121 PolarHBondContact OH-N 2.96Å; Y83-C121 VanDerWaalsContact OH-N 3.15Å; Y83-R124 PolarHBondContact OH-NH2 3.3Å
84N89Confident86.6Confident80 Ų8053.2 Ų53.243%0.42829%0.287SS..Hα-helixtrans-78.7-40.2-178.4-69.5-63.5000112.7V80 D81V80-N84 WeakPolarHBondContact CG1-ND2 3.42Å; V80-N84 PolarHBondContact O-N 2.93Å; V80-N84 VanDerWaalsContact O-N 3.14Å; V80-N84 PolarHBondContact O-ND2 2.85Å; D81-N84 PolarHBondContact O-N 3.47Å
85E90.4Very high85.9Confident140 Ų14053.5 Ų53.565%0.65430%0.296SS*.Hα-helixtrans-95.2-35.7-171.5-62.1-172.2-165.600113.9W48 D81W48-E85 HydrophobicContact CH2-CB 4.36Å; W48-E85 WeakPolarHBondContact CH2-OE2 3.46Å; D81-E85 VanDerWaalsContact O-CB 3.32Å; D81-E85 WeakPolarHBondContact O-CB 3.49Å; D81-E85 PolarHBondContact O-N 2.6Å
86V88.8Confident85.5Confident69 Ų6958.1 Ų58.142%0.41832%0.32SS..THydrogen-bonded Turntrans-100-51.1-178.1-174.50000111.5W48 Y82 A88W48-V86 HydrophobicContact CD2-CG2 4.02Å; W48-V86 HydrophobicContact CE3-CG2 3.91Å; W48-V86 HydrophobicContact CZ3-CG2 4.25Å; Y82-V86 HydrophobicContact CD2-CB 3.63Å; Y82-V86 HydrophobicContact CD2-CG1 4.14Å; Y82-V86 HydrophobicContact CD2-CG2 3.51Å; Y82-V86 HydrophobicContact CE2-CB 3.66Å; Y82-V86 HydrophobicContact CE2-CG1 3.62Å; Y82-V86 HydrophobicContact CE2-CG2 3.75Å; Y82-V86 HydrophobicContact CG-CB 4.31Å; Y82-V86 HydrophobicContact CG-CG2 4.46Å; Y82-V86 WeakPolarHBondContact O-CA 3.43Å; Y82-V86 WeakPolarHBondContact O-CB 3.34Å; Y82-V86 PolarHBondContact O-N 3.43Å; V86-A88 VanDerWaalsContact C-N 3.29Å; V86-A88 PolarHBondContact O-N 2.92Å
87L84.4Confident85.2Confident36 Ų3657.3 Ų57.319%0.18832%0.316CS..SBendtrans-83.2-6.1-178.3-56.1180000113.5Y82 Y83 Q89 R124Y82-L87 HydrophobicContact CD1-CD1 3.76Å; Y82-L87 HydrophobicContact CD1-CG 3.95Å; Y82-L87 HydrophobicContact CE1-CD1 3.74Å; Y82-L87 HydrophobicContact CE1-CD2 4.01Å; Y82-L87 HydrophobicContact CE1-CG 3.82Å; Y82-L87 PolarHBondContact O-N 3.32Å; Y83-L87 HydrophobicContact CD1-CB 4.27Å; Y83-L87 HydrophobicContact CD1-CD1 3.47Å; Y83-L87 VanDerWaalsContact CD1-CD1 3.47Å; Y83-L87 HydrophobicContact CD1-CG 4.4Å; Y83-L87 HydrophobicContact CE1-CD1 3.5Å; Y83-L87 VanDerWaalsContact CE1-CD1 3.5Å; Y83-L87 HydrophobicContact CG-CD1 4.41Å; Y83-L87 CarbonylContact O-C 3.53Å; L87-Q89 PolarHBondContact O-N 3.01Å; L87-R124 HydrophobicContact CD1-CB 3.84Å; L87-R124 HydrophobicContact CD2-CB 4.01Å; L87-R124 WeakPolarHBondContact CD2-O 3.32Å
88A83.7Confident85.1Confident89 Ų8954.7 Ų54.774%0.73631%0.306SS*.  trans48.730.6178.700000114.5Y83 V86Y83-A88 PolarHBondContact O-N 3.36Å; Y83-A88 VanDerWaalsContact O-N 3.1Å; V86-A88 VanDerWaalsContact C-N 3.29Å; V86-A88 PolarHBondContact O-N 2.92Å
89Q78.6Confident85Confident53 Ų5353.3 Ų53.325%0.24830%0.301CS..  trans-113.1120.6-177-176.7171.1-7.200110.3Y83 L87 I91 L153Y83-Q89 PolarHBondContact O-N 3.28Å; L87-Q89 PolarHBondContact O-N 3.01Å; Q89-I91 HydrophobicContact CG-CG1 4.4Å; Q89-I91 PolarHBondContact O-N 2.95Å; Q89-L153 PolarHBondContact NE2-O 2.84Å
90D75.3Confident84.9Confident97 Ų9755 Ų5552%0.51931%0.312SS..  trans-68.3115.6172.2-178.212.1000110.1S92 F93D90-S92 WeakPolarHBondContact OD1-CB 3.15Å; D90-S92 PolarHBondContact OD1-N 2.8Å; D90-S92 PolarHBondContact OD1-OG 3.05Å; D90-F93 WeakPolarHBondContact O-CD1 3.35Å; D90-F93 WeakPolarHBondContact O-CE1 3.48Å
91I76.1Confident84.7Confident10 Ų1059.2 Ų59.25%0.05133%0.325CS..  trans-99.710178.8-66-145.8000111.8Y83 Q89 F93 F94 L117Y83-I91 HydrophobicContact CD1-CD1 3.27Å; Y83-I91 HydrophobicContact CD1-CG1 4.1Å; Y83-I91 HydrophobicContact CD2-CD1 3.7Å; Y83-I91 HydrophobicContact CE1-CD1 3.49Å; Y83-I91 VanDerWaalsContact CE1-CD1 3.49Å; Y83-I91 HydrophobicContact CE2-CD1 3.87Å; Y83-I91 HydrophobicContact CG-CD1 3.37Å; Y83-I91 HydrophobicContact CG-CG1 4.02Å; Q89-I91 HydrophobicContact CG-CG1 4.4Å; Q89-I91 PolarHBondContact O-N 2.95Å; I91-F93 PolarHBondContact O-N 3.5Å; I91-F94 HydrophobicContact CG2-CB 3.73Å; I91-F94 HydrophobicContact CG2-CG 4.45Å; I91-F94 PolarHBondContact O-N 3.23Å; I91-L117 HydrophobicContact CG2-CD2 4.12Å
92S72.4Confident84.6Confident105 Ų10557.2 Ų57.273%0.73432%0.315SS*.THydrogen-bonded Turntrans-57.5-14.3176.9-57.70000115D90D90-S92 WeakPolarHBondContact OD1-CB 3.15Å; D90-S92 PolarHBondContact OD1-N 2.8Å; D90-S92 PolarHBondContact OD1-OG 3.05Å
93F73.3Confident84.5Confident113 Ų11357.6 Ų57.650%0.49632%0.317SS..THydrogen-bonded Turntrans-85.3-13.2174.270.5-95.3000114.4D90 I91D90-F93 WeakPolarHBondContact O-CD1 3.35Å; D90-F93 WeakPolarHBondContact O-CE1 3.48Å; I91-F93 PolarHBondContact O-N 3.5Å
94F78.6Confident84.5Confident15 Ų1562.2 Ų62.27%0.06634%0.339CS..SBendtrans-98.8137.3-177.6-172-92.3000111.2I91 L96 Q116 L117 L153I91-F94 HydrophobicContact CG2-CB 3.73Å; I91-F94 HydrophobicContact CG2-CG 4.45Å; I91-F94 PolarHBondContact O-N 3.23Å; F94-L96 PolarHBondContact O-N 3.4Å; F94-L96 VanDerWaalsContact O-N 3.16Å; F94-Q116 HydrophobicContact CE2-CG 4.46Å; F94-Q116 HydrophobicContact CZ-CG 4.1Å; F94-L117 HydrophobicContact CD1-CD2 3.81Å; F94-L117 HydrophobicContact CD1-CG 4.26Å; F94-L117 HydrophobicContact CE1-CD1 4.3Å; F94-L117 HydrophobicContact CE1-CD2 3.87Å; F94-L117 HydrophobicContact CE1-CG 3.87Å; F94-L153 HydrophobicContact CD2-CD2 3.67Å; F94-L153 HydrophobicContact CE2-CD2 3.76Å; F94-L153 HydrophobicContact CE2-CG 4.39Å; F94-L153 HydrophobicContact CG-CD2 4.17Å; F94-L153 HydrophobicContact CZ-CD2 4.31Å
95P79.2Confident84.5Confident74 Ų7464.9 Ų64.948%0.48135%0.349SS..  trans-70111.1178.928.2-34000111.5
96L84.6Confident84.3Confident97 Ų9759.3 Ų59.351%0.50833%0.327SS..  trans-64.4137175.3-64.3175.6000111.2L76 V80 F94 L117L76-L96 HydrophobicContact CD1-CD2 4.43Å; V80-L96 HydrophobicContact CG2-CD2 3.73Å; F94-L96 PolarHBondContact O-N 3.4Å; F94-L96 VanDerWaalsContact O-N 3.16Å; L96-L117 HydrophobicContact CD2-CD1 4.4Å
97P89.5Confident84.4Confident6 Ų658.6 Ų58.64%0.03932%0.319CS..  trans-70.8139.1-176.126.7-34.6000113.3L76 V99 E110 R113 L114 L117L76-P97 HydrophobicContact CD1-CG 3.82Å; L76-P97 HydrophobicContact CD2-CG 4.14Å; P97-V99 VanDerWaalsContact C-N 3.33Å; P97-V99 PolarHBondContact O-N 2.98Å; P97-E110 VanDerWaalsContact CA-OE2 3.27Å; P97-E110 WeakPolarHBondContact CA-OE2 3.45Å; P97-E110 VanDerWaalsContact CB-O 3.32Å; P97-E110 WeakPolarHBondContact CB-O 3.22Å; P97-R113 HydrophobicContact CB-CB 3.98Å; P97-L114 HydrophobicContact CB-CB 4.23Å; P97-L114 HydrophobicContact CG-CB 3.92Å; P97-L114 HydrophobicContact CG-CD1 4.05Å; P97-L117 HydrophobicContact CG-CD1 4.24Å
98D90Very high84.6Confident57 Ų5759.1 Ų59.131%0.30533%0.325SS..  trans-79.282.9172.7-169.4-0.6000111.3S100 R101 V102 E110D98-S100 PolarHBondContact O-N 2.81Å; D98-S100 WeakPolarHBondContact OD1-CB 3.3Å; D98-S100 PolarHBondContact OD1-N 3.37Å; D98-S100 PolarHBondContact OD1-OG 3.34Å; D98-R101 HydrophobicContact CB-CG 4.27Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD2-NE 3.42Å; D98-R101 PolarHBondContact OD2-NE 2.94Å; D98-V102 PolarHBondContact O-N 3.32Å; D98-E110 HydrophobicContact CB-CG 4.48Å; D98-E110 PolarHBondContact N-OE2 3.19Å
99V90.9Very high84.9Confident8 Ų856.1 Ų56.15%0.04830%0.297CS..Hα-helixtrans-51-14.7173-65.90000114.6M69 L72 K73 L76 P97 A103M69-V99 HydrophobicContact SD-CG2 4.41Å; L72-V99 HydrophobicContact CB-CB 3.95Å; L72-V99 HydrophobicContact CB-CG1 3.95Å; K73-V99 HydrophobicContact CD-CG2 4.36Å; K73-V99 HydrophobicContact CG-CG2 3.55Å; L76-V99 HydrophobicContact CB-CG1 4.15Å; L76-V99 HydrophobicContact CD2-CG1 3.86Å; P97-V99 VanDerWaalsContact C-N 3.33Å; P97-V99 PolarHBondContact O-N 2.98Å; V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 3.45Å
100S90.4Very high85.5Confident34 Ų3454.3 Ų54.324%0.23829%0.288CS..Hα-helixtrans-68.8-48.3172.7-39.60000111.7M69 D98 A103 E104M69-S100 VanDerWaalsContact CE-CA 3.4Å; M69-S100 VanDerWaalsContact CE-CB 3.48Å; D98-S100 PolarHBondContact O-N 2.81Å; D98-S100 WeakPolarHBondContact OD1-CB 3.3Å; D98-S100 PolarHBondContact OD1-N 3.37Å; D98-S100 PolarHBondContact OD1-OG 3.34Å; S100-A103 PolarHBondContact O-N 3.27Å; S100-E104 WeakPolarHBondContact O-CB 3.48Å; S100-E104 PolarHBondContact O-N 3.06Å
101R89.6Confident86.3Confident117 Ų11749.7 Ų49.744%0.44226%0.264SS..Hα-helixtrans-74-34.6-178.6-55-179.4-177.1-162.1-1.3111.7D98 A103 H105 A106 E107D98-R101 HydrophobicContact CB-CG 4.27Å; D98-R101 PolarHBondContact O-N 3.31Å; D98-R101 IonicContact OD2-NE 3.42Å; D98-R101 PolarHBondContact OD2-NE 2.94Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 2.9Å; R101-H105 CarbonylContact O-C 3.4Å; R101-H105 WeakPolarHBondContact O-CA 3.21Å; R101-H105 WeakPolarHBondContact O-CB 3.34Å; R101-H105 PolarHBondContact O-N 2.94Å; R101-A106 PolarHBondContact O-N 2.86Å; R101-E107 HydrophobicContact CB-CB 4.18Å; R101-E107 WeakPolarHBondContact CB-OE2 3.38Å; R101-E107 WeakPolarHBondContact CD-OE2 3.43Å; R101-E107 IonicContact NH1-OE1 3.64Å; R101-E107 IonicContact NH1-OE2 2.7Å
102V89.8Confident86.9Confident0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-57.6-43.8169.6-174.20000110.8T32 L72 D98 A106 E110 M111T32-V102 VanDerWaalsContact CG2-O 3.26Å; T32-V102 WeakPolarHBondContact CG2-O 3.44Å; L72-V102 HydrophobicContact CD1-CB 3.94Å; L72-V102 HydrophobicContact CD1-CG1 3.6Å; D98-V102 PolarHBondContact O-N 3.32Å; V102-A106 WeakPolarHBondContact O-CA 3.39Å; V102-A106 PolarHBondContact O-N 3.39Å; V102-E110 HydrophobicContact CG2-CB 3.45Å; V102-E110 VanDerWaalsContact CG2-CB 3.45Å; V102-M111 HydrophobicContact CG1-CB 4.36Å; V102-M111 HydrophobicContact CG1-CE 3.32Å; V102-M111 HydrophobicContact CG1-SD 3.96Å
103A89.8Confident87.8Confident8 Ų847 Ų477%0.06624%0.237CC..Hα-helixtrans-76.2-35.4-177.400000114.7W65 K68 M69 L72 V99 S100 R101W65-A103 WeakPolarHBondContact CB-O 3.45Å; K68-A103 HydrophobicContact CB-CB 4.14Å; M69-A103 HydrophobicContact CB-CB 3.69Å; L72-A103 HydrophobicContact CD1-CB 4.2Å; V99-A103 VanDerWaalsContact O-CB 3.31Å; V99-A103 WeakPolarHBondContact O-CB 3.21Å; V99-A103 PolarHBondContact O-N 3.45Å; S100-A103 PolarHBondContact O-N 3.27Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 2.9Å
104E89.6Confident88.7Confident99 Ų9941.6 Ų41.646%0.46321%0.213SC..Hα-helixtrans-96.7-26.9-173.2-166.6172.2178.100113.7W65 S100W65-E104 HydrophobicContact CD2-CB 4.46Å; W65-E104 HydrophobicContact CD2-CG 4.33Å; W65-E104 HydrophobicContact CE3-CB 4.3Å; S100-E104 WeakPolarHBondContact O-CB 3.48Å; S100-E104 PolarHBondContact O-N 3.06Å
105H88.6Confident89.4Confident136 Ų13640.9 Ų40.963%0.6321%0.21SC*.Hα-helixtrans-129.52.7-173.7-58.5-30.6000114.2R101 E107R101-H105 CarbonylContact O-C 3.4Å; R101-H105 WeakPolarHBondContact O-CA 3.21Å; R101-H105 WeakPolarHBondContact O-CB 3.34Å; R101-H105 PolarHBondContact O-N 2.94Å; H105-E107 PolarHBondContact O-N 2.93Å
106A87.9Confident90Very high23 Ų2337.6 Ų37.619%0.1919%0.188CC..  trans50.338.9-175.300000112.8V28 E29 T32 R101 V102 P108V28-A106 HydrophobicContact CG1-CB 4.31Å; V28-A106 VanDerWaalsContact CG1-O 3.24Å; V28-A106 WeakPolarHBondContact CG1-O 3.48Å; E29-A106 HydrophobicContact CG-CB 4.11Å; T32-A106 HydrophobicContact CG2-CB 3.87Å; R101-A106 PolarHBondContact O-N 2.86Å; V102-A106 WeakPolarHBondContact O-CA 3.39Å; V102-A106 PolarHBondContact O-N 3.39Å; A106-P108 WeakPolarHBondContact O-CD 3.33Å
107E90.6Very high90.3Very high53 Ų5333 Ų3325%0.24816%0.164CC..  trans-62.7118.8-171.7-172175.1-154.900111.7R101 H105 V109 E110 M111R101-E107 HydrophobicContact CB-CB 4.18Å; R101-E107 WeakPolarHBondContact CB-OE2 3.38Å; R101-E107 WeakPolarHBondContact CD-OE2 3.43Å; R101-E107 IonicContact NH1-OE1 3.64Å; R101-E107 IonicContact NH1-OE2 2.7Å; H105-E107 PolarHBondContact O-N 2.93Å; E107-V109 PolarHBondContact O-N 3.43Å; E107-E110 HydrophobicContact CG-CG 4.31Å; E107-E110 PolarHBondContact O-N 3.05Å; E107-E110 VanDerWaalsContact OE2-CG 3.23Å; E107-E110 WeakPolarHBondContact OE2-CG 3.2Å; E107-M111 PolarHBondContact O-N 3.41Å; E107-M111 VanDerWaalsContact O-N 3.11Å
108P88.6Confident90.5Very high48 Ų4832.7 Ų32.731%0.31216%0.162SC..Hα-helixtrans-66.4-35.7-170.623-32.9000113V9 V28 A106 M111 G112V9-P108 WeakPolarHBondContact CB-O 3.35Å; V9-P108 HydrophobicContact CG1-CB 3.71Å; V28-P108 HydrophobicContact CG2-CB 4.44Å; A106-P108 WeakPolarHBondContact O-CD 3.33Å; P108-M111 PolarHBondContact O-N 2.72Å; P108-G112 PolarHBondContact O-N 3.18Å
109V89.6Confident90.6Very high25 Ų2530 Ų3015%0.15215%0.148CC..Hα-helixtrans-66.5-45.9-177.9-177.60000111.5E5 E107 G112 R113E5-V109 HydrophobicContact CB-CG1 4.14Å; E5-V109 HydrophobicContact CB-CG2 3.85Å; E5-V109 HydrophobicContact CG-CG1 4.44Å; E107-V109 PolarHBondContact O-N 3.43Å; V109-G112 PolarHBondContact O-N 2.86Å; V109-R113 PolarHBondContact O-N 3.43Å
110E90.6Very high90.5Very high15 Ų1529.7 Ų29.77%0.0715%0.146CC..Hα-helixtrans-72.2-31.1178.7-59.7-60.6153.700111.7P97 D98 V102 E107 R113 L114P97-E110 VanDerWaalsContact CA-OE2 3.27Å; P97-E110 WeakPolarHBondContact CA-OE2 3.45Å; P97-E110 VanDerWaalsContact CB-O 3.32Å; P97-E110 WeakPolarHBondContact CB-O 3.22Å; D98-E110 HydrophobicContact CB-CG 4.48Å; D98-E110 PolarHBondContact N-OE2 3.19Å; V102-E110 HydrophobicContact CG2-CB 3.45Å; V102-E110 VanDerWaalsContact CG2-CB 3.45Å; E107-E110 HydrophobicContact CG-CG 4.31Å; E107-E110 PolarHBondContact O-N 3.05Å; E107-E110 VanDerWaalsContact OE2-CG 3.23Å; E107-E110 WeakPolarHBondContact OE2-CG 3.2Å; E110-R113 IonicContact OE1-CZ 3.74Å; E110-R113 IonicContact OE1-NH1 3.77Å; E110-R113 PolarHBondContact OE1-NH1 2.88Å; E110-R113 IonicContact OE1-NH2 2.91Å; E110-R113 IonicContact OE2-NH1 2.64Å; E110-R113 PolarHBondContact OE2-NH1 3.3Å; E110-R113 VanDerWaalsContact OE2-NH1 3.09Å; E110-L114 PolarHBondContact O-N 3.32Å
111M91.9Very high90.5Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-64.3-44.9168.4-174.968.280.200111.3V9 V28 L31 T32 M37 V102 E107 P108 R113 L114 L115V9-M111 HydrophobicContact CG2-CB 4Å; V9-M111 HydrophobicContact CG2-CG 3.88Å; V28-M111 HydrophobicContact CG1-CB 4.01Å; V28-M111 HydrophobicContact CG1-CE 4.13Å; V28-M111 HydrophobicContact CG1-CG 4.1Å; V28-M111 WeakPolarHBondContact O-CE 3.38Å; L31-M111 HydrophobicContact CB-CE 3.55Å; L31-M111 HydrophobicContact CB-SD 3.98Å; L31-M111 HydrophobicContact CD1-SD 4.49Å; T32-M111 HydrophobicContact CG2-CE 4.17Å; M37-M111 HydrophobicContact CE-CE 4.32Å; M37-M111 HydrophobicContact CE-SD 3.71Å; M37-M111 HydrophobicContact SD-SD 4.23Å; V102-M111 HydrophobicContact CG1-CB 4.36Å; V102-M111 HydrophobicContact CG1-CE 3.32Å; V102-M111 HydrophobicContact CG1-SD 3.96Å; E107-M111 PolarHBondContact O-N 3.41Å; E107-M111 VanDerWaalsContact O-N 3.11Å; P108-M111 PolarHBondContact O-N 2.72Å; M111-R113 VanDerWaalsContact C-N 3.33Å; M111-R113 PolarHBondContact O-N 3.03Å; M111-L114 WeakPolarHBondContact O-CB 3.39Å; M111-L114 PolarHBondContact O-N 2.84Å; M111-L114 VanDerWaalsContact O-N 3.1Å; M111-L115 HydrophobicContact CG-CD1 4.29Å; M111-L115 HydrophobicContact CG-CG 4.45Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 2.79Å
112G90.4Very high90.6Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-57.1-43.7177.100000112.6L12 P108 V109 L114 L115 Q116L12-G112 WeakPolarHBondContact CD1-O 3.45Å; P108-G112 PolarHBondContact O-N 3.18Å; V109-G112 PolarHBondContact O-N 2.86Å; G112-L114 PolarHBondContact O-N 3.09Å; G112-L115 PolarHBondContact O-N 2.77Å; G112-Q116 WeakPolarHBondContact O-CB 3.36Å; G112-Q116 PolarHBondContact O-N 3.46Å
113R90.6Very high90.7Very high59 Ų5923.2 Ų23.222%0.22312%0.118CC..Hα-helixtrans-63.5-37.8174.1-70.9-177.8-165.3144.812113.1P97 V109 E110 M111 Q116 L117P97-R113 HydrophobicContact CB-CB 3.98Å; V109-R113 PolarHBondContact O-N 3.43Å; E110-R113 IonicContact OE1-CZ 3.74Å; E110-R113 IonicContact OE1-NH1 3.77Å; E110-R113 PolarHBondContact OE1-NH1 2.88Å; E110-R113 IonicContact OE1-NH2 2.91Å; E110-R113 IonicContact OE2-NH1 2.64Å; E110-R113 PolarHBondContact OE2-NH1 3.3Å; E110-R113 VanDerWaalsContact OE2-NH1 3.09Å; M111-R113 VanDerWaalsContact C-N 3.33Å; M111-R113 PolarHBondContact O-N 3.03Å; R113-Q116 PolarHBondContact O-N 3.3Å; R113-L117 PolarHBondContact O-N 2.93Å; R113-L117 VanDerWaalsContact O-N 3.12Å
114L91.9Very high90.4Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-66.5-43.2175.8-176.358.9000111.5M37 L72 L76 P97 E110 M111 G112 L117 I118M37-L114 HydrophobicContact CE-CD2 3.93Å; M37-L114 HydrophobicContact SD-CD2 3.71Å; M37-L114 HydrophobicContact SD-CG 3.92Å; L72-L114 HydrophobicContact CD2-CD2 3.94Å; L76-L114 HydrophobicContact CB-CD1 4.2Å; L76-L114 HydrophobicContact CD1-CD1 4.1Å; P97-L114 HydrophobicContact CB-CB 4.23Å; P97-L114 HydrophobicContact CG-CB 3.92Å; P97-L114 HydrophobicContact CG-CD1 4.05Å; E110-L114 PolarHBondContact O-N 3.32Å; M111-L114 WeakPolarHBondContact O-CB 3.39Å; M111-L114 PolarHBondContact O-N 2.84Å; M111-L114 VanDerWaalsContact O-N 3.1Å; G112-L114 PolarHBondContact O-N 3.09Å; L114-L117 PolarHBondContact O-N 2.89Å; L114-I118 WeakPolarHBondContact O-CG1 3.37Å; L114-I118 PolarHBondContact O-N 3.44Å
115L92.8Very high90.3Very high0 Ų020.6 Ų20.60%010%0.103CC..Hα-helixtrans-66-36.6174.3-65.4178.4000112.3V9 L12 I13 L16 L31 M37 M111 G112 L117 I118 L119V9-L115 HydrophobicContact CG2-CD1 4.14Å; L12-L115 HydrophobicContact CB-CB 3.86Å; L12-L115 HydrophobicContact CB-CD1 3.91Å; L12-L115 HydrophobicContact CD1-CB 3.86Å; L12-L115 HydrophobicContact CG-CB 4.43Å; I13-L115 HydrophobicContact CG1-CD1 4.08Å; L16-L115 HydrophobicContact CD2-CD2 3.85Å; L31-L115 HydrophobicContact CD1-CD1 4.03Å; L31-L115 HydrophobicContact CD1-CD2 4.41Å; M37-L115 HydrophobicContact CG-CD2 3.84Å; M37-L115 HydrophobicContact SD-CD2 3.76Å; M111-L115 HydrophobicContact CG-CD1 4.29Å; M111-L115 HydrophobicContact CG-CG 4.45Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 2.79Å; G112-L115 PolarHBondContact O-N 2.77Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 2.83Å; L115-I118 HydrophobicContact CD2-CD1 4.5Å; L115-I118 PolarHBondContact O-N 2.89Å; L115-I118 VanDerWaalsContact O-N 3.12Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 2.83Å
116Q91.9Very high90.2Very high4 Ų423.4 Ų23.42%0.01912%0.116CC..Hα-helixtrans-62.4-38.7175.8-179.9172.415.600111.4L12 F94 G112 R113 G120 A149 E152 L153L12-Q116 HydrophobicContact CD1-CB 4.05Å; F94-Q116 HydrophobicContact CE2-CG 4.46Å; F94-Q116 HydrophobicContact CZ-CG 4.1Å; G112-Q116 WeakPolarHBondContact O-CB 3.36Å; G112-Q116 PolarHBondContact O-N 3.46Å; R113-Q116 PolarHBondContact O-N 3.3Å; Q116-G120 PolarHBondContact O-N 3.48Å; Q116-A149 HydrophobicContact CG-CB 4.11Å; Q116-A149 PolarHBondContact NE2-O 3.5Å; Q116-E152 PolarHBondContact NE2-OE2 3.49Å; Q116-L153 HydrophobicContact CG-CD1 3.97Å; Q116-L153 HydrophobicContact CG-CG 4.43Å
117L91.3Very high90.2Very high0 Ų026.7 Ų26.70%013%0.128CC..Hα-helixtrans-64.7-40.1172.2-73.1171.8000112.1L76 V79 Y83 I91 F94 L96 P97 R113 L114 L115 G120 C121 L153L76-L117 HydrophobicContact CD1-CD1 3.86Å; V79-L117 HydrophobicContact CG1-CB 3.95Å; Y83-L117 HydrophobicContact CE2-CB 4.32Å; Y83-L117 HydrophobicContact CE2-CD2 3.94Å; Y83-L117 WeakPolarHBondContact CE2-O 3.47Å; Y83-L117 PolarHBondContact OH-O 2.94Å; I91-L117 HydrophobicContact CG2-CD2 4.12Å; F94-L117 HydrophobicContact CD1-CD2 3.81Å; F94-L117 HydrophobicContact CD1-CG 4.26Å; F94-L117 HydrophobicContact CE1-CD1 4.3Å; F94-L117 HydrophobicContact CE1-CD2 3.87Å; F94-L117 HydrophobicContact CE1-CG 3.87Å; L96-L117 HydrophobicContact CD2-CD1 4.4Å; P97-L117 HydrophobicContact CG-CD1 4.24Å; R113-L117 PolarHBondContact O-N 2.93Å; R113-L117 VanDerWaalsContact O-N 3.12Å; L114-L117 PolarHBondContact O-N 2.89Å; L115-L117 VanDerWaalsContact C-N 3.32Å; L115-L117 PolarHBondContact O-N 2.83Å; L117-G120 PolarHBondContact O-N 2.97Å; L117-C121 PolarHBondContact O-N 3.41Å; L117-C121 PolarHBondContact O-SG 3.43Å; L117-L153 HydrophobicContact CD2-CD2 4.45Å
118I93.1Very high90Very high0 Ų028.2 Ų28.20%014%0.135CC..Hα-helixtrans-67.3-44176.9-65.6171.5000111.4W15 M37 L41 I44 I75 V79 L114 L115 G120 C121 A122W15-I118 HydrophobicContact CH2-CG2 4.2Å; W15-I118 HydrophobicContact CZ3-CG2 4.2Å; M37-I118 HydrophobicContact CB-CD1 3.81Å; M37-I118 HydrophobicContact CG-CD1 3.66Å; M37-I118 HydrophobicContact SD-CD1 3.68Å; L41-I118 HydrophobicContact CD1-CD1 4.19Å; L41-I118 HydrophobicContact CD1-CG1 4.2Å; L41-I118 HydrophobicContact CD2-CB 4.39Å; L41-I118 HydrophobicContact CD2-CG1 4.11Å; L41-I118 HydrophobicContact CD2-CG2 3.83Å; L41-I118 HydrophobicContact CG-CD1 4.44Å; L41-I118 HydrophobicContact CG-CG1 4.28Å; L41-I118 HydrophobicContact CG-CG2 4.13Å; I44-I118 HydrophobicContact CD1-CG2 3.87Å; I75-I118 HydrophobicContact CG2-CD1 4.41Å; V79-I118 HydrophobicContact CG2-CG1 4.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.37Å; L114-I118 PolarHBondContact O-N 3.44Å; L115-I118 HydrophobicContact CD2-CD1 4.5Å; L115-I118 PolarHBondContact O-N 2.89Å; L115-I118 VanDerWaalsContact O-N 3.12Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 2.76Å; I118-C121 WeakPolarHBondContact O-CA 3.43Å; I118-C121 VanDerWaalsContact O-CB 3.3Å; I118-C121 WeakPolarHBondContact O-CB 3.37Å; I118-C121 PolarHBondContact O-N 2.83Å; I118-A122 PolarHBondContact O-N 3.17Å; I118-A122 VanDerWaalsContact O-N 3.11Å
119L92.5Very high89.9Confident0 Ų033.6 Ų33.60%016%0.156CC..Hα-helixtrans-54.9-46.5172.3169.267.3000111.3L12 W15 L115 C121 A122 V123 I135 V146 A149 I150L12-L119 HydrophobicContact CD2-CB 4.3Å; L12-L119 HydrophobicContact CD2-CD2 3.54Å; L12-L119 HydrophobicContact CD2-CG 4.46Å; W15-L119 HydrophobicContact CD2-CD1 4Å; W15-L119 HydrophobicContact CE3-CB 4.36Å; W15-L119 HydrophobicContact CE3-CD1 4.44Å; W15-L119 VanDerWaalsContact CH2-CA 3.48Å; W15-L119 HydrophobicContact CH2-CB 4.05Å; W15-L119 HydrophobicContact CH2-CD1 4.22Å; W15-L119 HydrophobicContact CZ2-CB 4.42Å; W15-L119 HydrophobicContact CZ2-CD1 3.72Å; W15-L119 HydrophobicContact CZ3-CB 4.01Å; L115-L119 WeakPolarHBondContact O-CB 3.42Å; L115-L119 PolarHBondContact O-N 2.83Å; L119-C121 PolarHBondContact O-N 2.85Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.88Å; L119-A122 VanDerWaalsContact O-N 3.11Å; L119-V123 HydrophobicContact CD1-CG2 3.82Å; L119-V123 HydrophobicContact CG-CG2 4.39Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 2.89Å; L119-I135 HydrophobicContact CD1-CD1 3.84Å; L119-V146 HydrophobicContact CD1-CG1 4.04Å; L119-V146 HydrophobicContact CD2-CG1 3.85Å; L119-A149 HydrophobicContact CD2-CB 4.27Å; L119-I150 HydrophobicContact CD2-CD1 4.48Å; L119-I150 HydrophobicContact CD2-CG1 4.02Å; L119-I150 HydrophobicContact CG-CG1 4.27Å
120G89.9Confident89.9Confident2 Ų237.5 Ų37.52%0.02117%0.173CC..Hα-helixtrans-68.6-13.3177.500000114.4Y83 Q116 L117 I118 R124Y83-G120 WeakPolarHBondContact OH-CA 3.41Å; Y83-G120 PolarHBondContact OH-O 3.43Å; Q116-G120 PolarHBondContact O-N 3.48Å; L117-G120 PolarHBondContact O-N 2.97Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 2.76Å; G120-R124 WeakPolarHBondContact O-CB 3.49Å; G120-R124 PolarHBondContact O-NE 2.91Å; G120-R124 PolarHBondContact O-NH2 2.84Å
121C90.4Very high89.9Confident0 Ų037.5 Ų37.50%017%0.172CC..Hα-helixtrans-77.8-48.6165.9-60.20000109.9I44 Y82 Y83 L117 I118 L119 V123 R124 C125I44-C121 HydrophobicContact CG2-CB 4.3Å; Y82-C121 HydrophobicContact CD1-CB 3.96Å; Y82-C121 HydrophobicContact CE1-CB 3.97Å; Y83-C121 VanDerWaalsContact CE2-SG 3.53Å; Y83-C121 PolarHBondContact OH-N 2.96Å; Y83-C121 VanDerWaalsContact OH-N 3.15Å; L117-C121 PolarHBondContact O-N 3.41Å; L117-C121 PolarHBondContact O-SG 3.43Å; I118-C121 WeakPolarHBondContact O-CA 3.43Å; I118-C121 VanDerWaalsContact O-CB 3.3Å; I118-C121 WeakPolarHBondContact O-CB 3.37Å; I118-C121 PolarHBondContact O-N 2.83Å; L119-C121 PolarHBondContact O-N 2.85Å; C121-V123 VanDerWaalsContact C-N 3.31Å; C121-V123 PolarHBondContact O-N 3.33Å; C121-R124 CarbonylContact O-C 3.58Å; C121-R124 PolarHBondContact O-N 3.48Å; C121-R124 VanDerWaalsContact O-N 3.1Å; C121-C125 WeakPolarHBondContact O-CB 3.25Å; C121-C125 PolarHBondContact O-N 2.91Å
122A90.9Very high89.8Confident0 Ų040.6 Ų40.60%019%0.188CC..Hα-helixtrans-58.3-39.6178.100000113.1W15 I44 I118 L119 R124 C125 Q128 Y131W15-A122 HydrophobicContact CH2-CB 3.98Å; W15-A122 HydrophobicContact CZ2-CB 3.65Å; I44-A122 HydrophobicContact CD1-CB 3.82Å; I44-A122 HydrophobicContact CG1-CB 3.92Å; I44-A122 HydrophobicContact CG2-CB 4.34Å; I118-A122 PolarHBondContact O-N 3.17Å; I118-A122 VanDerWaalsContact O-N 3.11Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.88Å; L119-A122 VanDerWaalsContact O-N 3.11Å; A122-R124 VanDerWaalsContact C-N 3.27Å; A122-R124 PolarHBondContact O-N 3.04Å; A122-C125 PolarHBondContact O-SG 2.85Å; A122-C125 VanDerWaalsContact O-SG 3.4Å; A122-Q128 WeakPolarHBondContact O-CA 3.12Å; A122-Y131 HydrophobicContact CB-CD1 4.47Å; A122-Y131 HydrophobicContact CB-CD2 3.96Å; A122-Y131 HydrophobicContact CB-CG 3.89Å; A122-Y131 WeakPolarHBondContact O-CD2 3.43Å
123V90.9Very high89.8Confident16 Ų1647.2 Ų47.210%0.09722%0.219CC..THydrogen-bonded Turntrans-80.7-5-179.2178.50000112.7L119 C121 Q128 I132 I135 I150L119-V123 HydrophobicContact CD1-CG2 3.82Å; L119-V123 HydrophobicContact CG-CG2 4.39Å; L119-V123 WeakPolarHBondContact O-CG2 3.41Å; L119-V123 PolarHBondContact O-N 2.89Å; C121-V123 VanDerWaalsContact C-N 3.31Å; C121-V123 PolarHBondContact O-N 3.33Å; V123-Q128 WeakPolarHBondContact O-CB 3.48Å; V123-Q128 PolarHBondContact O-OE1 3.26Å; V123-I132 HydrophobicContact CG1-CD1 4.29Å; V123-I132 HydrophobicContact CG1-CG1 4.23Å; V123-I135 HydrophobicContact CG2-CD1 3.95Å; V123-I150 HydrophobicContact CG1-CD1 4.17Å; V123-I150 HydrophobicContact CG1-CG1 4.4Å; V123-I150 HydrophobicContact CG1-CG2 4.14Å; V123-I150 HydrophobicContact CG2-CD1 3.89Å; V123-I150 HydrophobicContact CG2-CG1 4.3Å
124R84.8Confident89.8Confident47 Ų4746.6 Ų46.618%0.17722%0.22CC..THydrogen-bonded Turntrans-126.9-3.4179.7-70.5-178.2-78.7-144.5-9.1114.9Y83 L87 G120 C121 A122 L153Y83-R124 PolarHBondContact OH-NH2 3.3Å; L87-R124 HydrophobicContact CD1-CB 3.84Å; L87-R124 HydrophobicContact CD2-CB 4.01Å; L87-R124 WeakPolarHBondContact CD2-O 3.32Å; G120-R124 WeakPolarHBondContact O-CB 3.49Å; G120-R124 PolarHBondContact O-NE 2.91Å; G120-R124 PolarHBondContact O-NH2 2.84Å; C121-R124 CarbonylContact O-C 3.58Å; C121-R124 PolarHBondContact O-N 3.48Å; C121-R124 VanDerWaalsContact O-N 3.1Å; A122-R124 VanDerWaalsContact C-N 3.27Å; A122-R124 PolarHBondContact O-N 3.04Å; R124-L153 PolarHBondContact NH1-O 3.36Å
125C87.8Confident89.7Confident4 Ų447.4 Ų47.43%0.02722%0.224CC..SBendtrans-71.3172.417472.20000111.6I44 Y82 C121 A122 Q127 Q128I44-C125 HydrophobicContact CG2-CB 4.23Å; Y82-C125 WeakPolarHBondContact OH-CB 3.35Å; C121-C125 WeakPolarHBondContact O-CB 3.25Å; C121-C125 PolarHBondContact O-N 2.91Å; A122-C125 PolarHBondContact O-SG 2.85Å; A122-C125 VanDerWaalsContact O-SG 3.4Å; C125-Q127 PolarHBondContact O-N 3.41Å; C125-Q127 VanDerWaalsContact O-N 3.14Å; C125-Q128 WeakPolarHBondContact O-CB 3.37Å; C125-Q128 WeakPolarHBondContact O-CG 3.27Å; C125-Q128 PolarHBondContact O-N 2.77Å
126E85.6Confident89.5Confident195 Ų19553.7 Ų53.791%0.91126%0.255SS*.THydrogen-bonded Turntrans-57.6-30.1179.3-59.8-169.315900112.7
127Q87.1Confident89.5Confident93 Ų9358.9 Ų58.944%0.43529%0.287SS..THydrogen-bonded Turntrans-93.917.1179.6-63.9-179.4-68.600114C125 Q129 E130 Y131C125-Q127 PolarHBondContact O-N 3.41Å; C125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-Q129 PolarHBondContact O-N 3.38Å; Q127-E130 PolarHBondContact O-N 3.49Å; Q127-Y131 HydrophobicContact CB-CE2 4.29Å
128Q87.5Confident89.5Confident85 Ų8560 Ų6040%0.39729%0.292SS..Hα-helixtrans-45.7-32.5-177.958.1179-26.200115.5A122 V123 C125 E130 Y131 I132A122-Q128 WeakPolarHBondContact O-CA 3.12Å; V123-Q128 WeakPolarHBondContact O-CB 3.48Å; V123-Q128 PolarHBondContact O-OE1 3.26Å; C125-Q128 WeakPolarHBondContact O-CB 3.37Å; C125-Q128 WeakPolarHBondContact O-CG 3.27Å; C125-Q128 PolarHBondContact O-N 2.77Å; Q128-E130 VanDerWaalsContact C-N 3.35Å; Q128-E130 PolarHBondContact O-N 2.78Å; Q128-Y131 PolarHBondContact O-N 2.89Å; Q128-I132 HydrophobicContact CB-CD1 4.36Å; Q128-I132 WeakPolarHBondContact O-CB 3.46Å; Q128-I132 WeakPolarHBondContact O-CD1 3.3Å; Q128-I132 WeakPolarHBondContact O-CG1 3.24Å; Q128-I132 PolarHBondContact O-N 3.14Å
129Q86.9Confident89.5Confident160 Ų16066.8 Ų66.875%0.74832%0.324SS*.Hα-helixtrans-63.8-37.6-179.2-67-175.7-10.600112.8Q127 Q133Q127-Q129 PolarHBondContact O-N 3.38Å; Q129-Q133 WeakPolarHBondContact O-CB 3.46Å; Q129-Q133 PolarHBondContact O-N 3.18Å
130E89.8Confident89.2Confident108 Ų10874.7 Ų74.751%0.50536%0.361SS..Hα-helixtrans-68-46.7179.7-173.4170.3179.400110.6Q127 Q128 I132 Q133 I134Q127-E130 PolarHBondContact O-N 3.49Å; Q128-E130 VanDerWaalsContact C-N 3.35Å; Q128-E130 PolarHBondContact O-N 2.78Å; E130-I132 PolarHBondContact O-N 3.02Å; E130-Q133 PolarHBondContact O-N 3.43Å; E130-I134 HydrophobicContact CG-CD1 4.43Å; E130-I134 WeakPolarHBondContact O-CG1 3.33Å; E130-I134 PolarHBondContact O-N 2.83Å
131Y89.8Confident89.2Confident14 Ų1477.5 Ų77.56%0.05538%0.381CS..Hα-helixtrans-67.7-35.7177.6-61.7-58.5000113.3F19 Q43 I44 A122 Q127 Q128 I134 I135F19-Y131 HydrophobicContact CD1-CE1 4.35Å; F19-Y131 HydrophobicContact CE1-CD1 4.01Å; F19-Y131 AromaticContact CE1-CE1 3.38Å; F19-Y131 HydrophobicContact CE1-CE1 3.38Å; F19-Y131 AromaticContact CZ-CD1 3.84Å; F19-Y131 HydrophobicContact CZ-CD1 3.84Å; F19-Y131 AromaticContact CZ-CE1 3.72Å; F19-Y131 HydrophobicContact CZ-CE1 3.72Å; Q43-Y131 PolarHBondContact O-OH 2.82Å; Q43-Y131 VanDerWaalsContact O-OH 3.08Å; I44-Y131 WeakPolarHBondContact CA-OH 3.36Å; I44-Y131 HydrophobicContact CG1-CE2 4.29Å; A122-Y131 HydrophobicContact CB-CD1 4.47Å; A122-Y131 HydrophobicContact CB-CD2 3.96Å; A122-Y131 HydrophobicContact CB-CG 3.89Å; A122-Y131 WeakPolarHBondContact O-CD2 3.43Å; Q127-Y131 HydrophobicContact CB-CE2 4.29Å; Q128-Y131 PolarHBondContact O-N 2.89Å; Y131-I134 HydrophobicContact CD1-CD1 4.22Å; Y131-I134 PolarHBondContact O-N 2.98Å; Y131-I135 WeakPolarHBondContact O-CD1 3.4Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.4Å
132I89.9Confident89.2Confident65 Ų6577.9 Ų77.933%0.33338%0.383SS..Hα-helixtrans-65-42.2172-69164000110.6V123 Q128 E130 I134 I135 M136V123-I132 HydrophobicContact CG1-CD1 4.29Å; V123-I132 HydrophobicContact CG1-CG1 4.23Å; Q128-I132 HydrophobicContact CB-CD1 4.36Å; Q128-I132 WeakPolarHBondContact O-CB 3.46Å; Q128-I132 WeakPolarHBondContact O-CD1 3.3Å; Q128-I132 WeakPolarHBondContact O-CG1 3.24Å; Q128-I132 PolarHBondContact O-N 3.14Å; E130-I132 PolarHBondContact O-N 3.02Å; I132-I134 PolarHBondContact O-N 3.11Å; I132-I135 PolarHBondContact O-N 3.43Å; I132-M136 HydrophobicContact CG2-SD 4.46Å; I132-M136 WeakPolarHBondContact O-CG 3.29Å; I132-M136 PolarHBondContact O-N 3.36Å
133Q89.9Confident89Confident139 Ų13980.8 Ų80.865%0.6540%0.396SS*.Hα-helixtrans-64-39.9177.1-174.9173.1-6.400111.9Q129 E130 M136 T137Q129-Q133 WeakPolarHBondContact O-CB 3.46Å; Q129-Q133 PolarHBondContact O-N 3.18Å; E130-Q133 PolarHBondContact O-N 3.43Å; Q133-M136 PolarHBondContact O-N 2.97Å; Q133-T137 PolarHBondContact O-N 3.45Å
134I90.1Very high88.9Confident47 Ų4785.6 Ų85.624%0.24142%0.417CS..Hα-helixtrans-59.7-47.1173-69165000110.5T18 E130 Y131 I132 M136 T137T18-I134 HydrophobicContact CG2-CG2 3.9Å; T18-I134 WeakPolarHBondContact OG1-CG2 3.26Å; E130-I134 HydrophobicContact CG-CD1 4.43Å; E130-I134 WeakPolarHBondContact O-CG1 3.33Å; E130-I134 PolarHBondContact O-N 2.83Å; Y131-I134 HydrophobicContact CD1-CD1 4.22Å; Y131-I134 PolarHBondContact O-N 2.98Å; I132-I134 PolarHBondContact O-N 3.11Å; I134-M136 VanDerWaalsContact C-N 3.27Å; I134-M136 PolarHBondContact O-N 2.95Å; I134-T137 PolarHBondContact O-N 2.72Å; I134-T137 PolarHBondContact O-OG1 2.93Å
135I90.8Very high89.2Confident16 Ų1684.9 Ų84.98%0.08242%0.418CS..Hα-helixtrans-56.4-42.3176-67.9160.9000110.9L119 V123 Y131 I132 T137 M138 Q143 V146 I150L119-I135 HydrophobicContact CD1-CD1 3.84Å; V123-I135 HydrophobicContact CG2-CD1 3.95Å; Y131-I135 WeakPolarHBondContact O-CD1 3.4Å; Y131-I135 VanDerWaalsContact O-CG1 3.27Å; Y131-I135 WeakPolarHBondContact O-CG1 3.46Å; Y131-I135 PolarHBondContact O-N 3.4Å; I132-I135 PolarHBondContact O-N 3.43Å; I135-T137 PolarHBondContact O-N 3.34Å; I135-T137 VanDerWaalsContact O-N 3.16Å; I135-M138 WeakPolarHBondContact O-CB 3.44Å; I135-M138 WeakPolarHBondContact O-CG 3.4Å; I135-M138 PolarHBondContact O-N 3.25Å; I135-M138 VanDerWaalsContact O-N 3.09Å; I135-Q143 VanDerWaalsContact O-CG 3.3Å; I135-Q143 WeakPolarHBondContact O-CG 3.48Å; I135-V146 HydrophobicContact CD1-CG1 3.84Å; I135-V146 HydrophobicContact CG1-CG1 4.07Å; I135-V146 HydrophobicContact CG2-CB 4.41Å; I135-V146 HydrophobicContact CG2-CG1 3.74Å; I135-I150 HydrophobicContact CD1-CD1 4.49Å
136M89.6Confident89.3Confident133 Ų13384.7 Ų84.766%0.65542%0.417SS*.Hα-helixtrans-65.1-13.7177.4-70-178.567.400114.9I132 Q133 I134 Q143I132-M136 HydrophobicContact CG2-SD 4.46Å; I132-M136 WeakPolarHBondContact O-CG 3.29Å; I132-M136 PolarHBondContact O-N 3.36Å; Q133-M136 PolarHBondContact O-N 2.97Å; I134-M136 VanDerWaalsContact C-N 3.27Å; I134-M136 PolarHBondContact O-N 2.95Å; M136-Q143 VanDerWaalsContact C-NE2 3.35Å; M136-Q143 PolarHBondContact O-NE2 3.48Å
137T90.8Very high89.5Confident112 Ų11279.8 Ų79.869%0.68740%0.395SS*.THydrogen-bonded Turntrans-92.7-6.5173.864.70000114.2Q133 I134 I135Q133-T137 PolarHBondContact O-N 3.45Å; I134-T137 PolarHBondContact O-N 2.72Å; I134-T137 PolarHBondContact O-OG1 2.93Å; I135-T137 PolarHBondContact O-N 3.34Å; I135-T137 VanDerWaalsContact O-N 3.16Å
138M91.2Very high89.6Confident24 Ų2480.9 Ų80.912%0.11840%0.398CS..SBendtrans-76.7171.1179.8-56.6-175.978.300112.1I14 W15 I135 V142 Q143I14-M138 HydrophobicContact CB-CE 4.21Å; I14-M138 HydrophobicContact CG2-CE 3.69Å; W15-M138 VanDerWaalsContact CA-CE 3.4Å; W15-M138 HydrophobicContact CB-CE 3.81Å; W15-M138 HydrophobicContact CB-SD 4.11Å; W15-M138 HydrophobicContact CG-SD 4.44Å; I135-M138 WeakPolarHBondContact O-CB 3.44Å; I135-M138 WeakPolarHBondContact O-CG 3.4Å; I135-M138 PolarHBondContact O-N 3.25Å; I135-M138 VanDerWaalsContact O-N 3.09Å; M138-V142 HydrophobicContact CE-CG1 3.51Å; M138-V142 HydrophobicContact SD-CG1 4.19Å; M138-Q143 HydrophobicContact CB-CG 4.17Å; M138-Q143 PolarHBondContact O-NE2 3.21Å
139E92.8Very high89.5Confident142 Ų14277 Ų7766%0.66438%0.381SS*.  trans-62.4140.4173.8-163.3-172.6128.800111.7S141 V142 Q143E139-S141 WeakPolarHBondContact CG-OG 3.37Å; E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.15Å; E139-S141 WeakPolarHBondContact OE1-CB 3.48Å; E139-S141 PolarHBondContact OE1-OG 3.41Å; E139-V142 HydrophobicContact CB-CG2 4.38Å; E139-V142 WeakPolarHBondContact O-CA 3.48Å; E139-V142 WeakPolarHBondContact O-CB 3.23Å; E139-V142 PolarHBondContact O-N 3.41Å; E139-Q143 WeakPolarHBondContact O-CG 3.41Å; E139-Q143 PolarHBondContact O-N 3.08Å
140E87.8Confident89.5Confident166 Ų16670.8 Ų70.878%0.77635%0.353SS*.Hα-helixtrans-54.6-35.6-176.9-172.2-179.8-18000113.2Q143 H144E140-Q143 PolarHBondContact O-N 2.8Å; E140-H144 PolarHBondContact O-N 2.86Å
141S88.7Confident89.3Confident62 Ų6270.7 Ų70.743%0.43435%0.352SS..Hα-helixtrans-58.3-46.617458.50000112.1E139 V145E139-S141 WeakPolarHBondContact CG-OG 3.37Å; E139-S141 PolarHBondContact O-N 3.09Å; E139-S141 VanDerWaalsContact O-N 3.15Å; E139-S141 WeakPolarHBondContact OE1-CB 3.48Å; E139-S141 PolarHBondContact OE1-OG 3.41Å; S141-V145 PolarHBondContact O-N 3.47Å
142V90.1Very high89.1Confident8 Ų874.9 Ų74.95%0.04837%0.372CS..Hα-helixtrans-71.8-42.6177.7179.80000110.8I14 M138 E139 H144 V145 V146I14-V142 HydrophobicContact CD1-CG2 3.93Å; M138-V142 HydrophobicContact CE-CG1 3.51Å; M138-V142 HydrophobicContact SD-CG1 4.19Å; E139-V142 HydrophobicContact CB-CG2 4.38Å; E139-V142 WeakPolarHBondContact O-CA 3.48Å; E139-V142 WeakPolarHBondContact O-CB 3.23Å; E139-V142 PolarHBondContact O-N 3.41Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 2.73Å; V142-V145 PolarHBondContact O-N 3.33Å; V142-V146 HydrophobicContact CG1-CG2 4.11Å; V142-V146 WeakPolarHBondContact O-CB 3.34Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 2.67Å
143Q88.1Confident88.4Confident60 Ų6071.8 Ų71.828%0.2836%0.356SS..Hα-helixtrans-55.2-42.7176-67.5-167.229.100112I135 M136 M138 E139 E140 V145 V146 M147I135-Q143 VanDerWaalsContact O-CG 3.3Å; I135-Q143 WeakPolarHBondContact O-CG 3.48Å; M136-Q143 VanDerWaalsContact C-NE2 3.35Å; M136-Q143 PolarHBondContact O-NE2 3.48Å; M138-Q143 HydrophobicContact CB-CG 4.17Å; M138-Q143 PolarHBondContact O-NE2 3.21Å; E139-Q143 WeakPolarHBondContact O-CG 3.41Å; E139-Q143 PolarHBondContact O-N 3.08Å; E140-Q143 PolarHBondContact O-N 2.8Å; Q143-V145 PolarHBondContact O-N 3.24Å; Q143-V146 PolarHBondContact O-N 3.08Å; Q143-M147 VanDerWaalsContact O-CB 3.28Å; Q143-M147 WeakPolarHBondContact O-CB 3.41Å; Q143-M147 PolarHBondContact O-N 3.44Å
144H88.7Confident87.7Confident117 Ų11771.1 Ų71.154%0.54236%0.355SS..Hα-helixtrans-63.4-42.4179.4-171.182.2000112.5E140 V142 K148E140-H144 PolarHBondContact O-N 2.86Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 2.73Å; H144-K148 WeakPolarHBondContact O-CB 3.49Å; H144-K148 PolarHBondContact O-N 3.47Å
145V91Very high86.8Confident33 Ų3376.8 Ų76.820%0.238%0.378CS..Hα-helixtrans-67.6-45177.8177.60000111L8 S141 V142 Q143 K148 A149L8-V145 HydrophobicContact CD1-CG1 3.94Å; S141-V145 PolarHBondContact O-N 3.47Å; V142-V145 PolarHBondContact O-N 3.33Å; Q143-V145 PolarHBondContact O-N 3.24Å; V145-K148 PolarHBondContact O-N 2.93Å; V145-A149 WeakPolarHBondContact O-CB 3.27Å; V145-A149 PolarHBondContact O-N 3.31Å
146V89.3Confident84.8Confident0 Ų085.9 Ų85.90%042%0.417CS..Hα-helixtrans-61.3-45176.4170.60000111.2L12 L119 I135 V142 Q143 K148 A149 I150L12-V146 HydrophobicContact CD2-CG2 4.38Å; L119-V146 HydrophobicContact CD1-CG1 4.04Å; L119-V146 HydrophobicContact CD2-CG1 3.85Å; I135-V146 HydrophobicContact CD1-CG1 3.84Å; I135-V146 HydrophobicContact CG1-CG1 4.07Å; I135-V146 HydrophobicContact CG2-CB 4.41Å; I135-V146 HydrophobicContact CG2-CG1 3.74Å; V142-V146 HydrophobicContact CG1-CG2 4.11Å; V142-V146 WeakPolarHBondContact O-CB 3.34Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 2.67Å; Q143-V146 PolarHBondContact O-N 3.08Å; V146-K148 PolarHBondContact O-N 3.05Å; V146-A149 WeakPolarHBondContact O-CB 3.19Å; V146-A149 PolarHBondContact O-N 2.99Å; V146-I150 HydrophobicContact CG1-CD1 3.94Å; V146-I150 WeakPolarHBondContact O-CD1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.46Å; V146-I150 PolarHBondContact O-N 3.31Å
147M89.3Confident82.5Confident91 Ų9187 Ų8745%0.44843%0.425SS..Hα-helixtrans-61.3-43.2176.1-178.3179.863.600112Q143 A149 I150 Q151Q143-M147 VanDerWaalsContact O-CB 3.28Å; Q143-M147 WeakPolarHBondContact O-CB 3.41Å; Q143-M147 PolarHBondContact O-N 3.44Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 2.88Å; M147-I150 PolarHBondContact O-N 3.3Å; M147-Q151 HydrophobicContact CG-CG 4.48Å; M147-Q151 WeakPolarHBondContact O-CG 3.38Å; M147-Q151 PolarHBondContact O-N 2.85Å
148K88.9Confident79.7Confident116 Ų11690 Ų9050%0.50444%0.437SS..Hα-helixtrans-61.8-41.5176.4-174.2-176.6174.9-1680111.3H144 V145 V146 I150 Q151 E152H144-K148 WeakPolarHBondContact O-CB 3.49Å; H144-K148 PolarHBondContact O-N 3.47Å; V145-K148 PolarHBondContact O-N 2.93Å; V146-K148 PolarHBondContact O-N 3.05Å; K148-I150 VanDerWaalsContact C-N 3.35Å; K148-I150 PolarHBondContact O-N 2.91Å; K148-Q151 PolarHBondContact O-N 2.92Å; K148-E152 PolarHBondContact O-N 2.78Å
149A86.7Confident77Confident3 Ų394.5 Ų94.53%0.02547%0.471CS..Hα-helixtrans-64.2-36.217700000112.8L8 Q116 L119 V145 V146 M147L8-A149 HydrophobicContact CD1-CB 3.84Å; Q116-A149 HydrophobicContact CG-CB 4.11Å; Q116-A149 PolarHBondContact NE2-O 3.5Å; L119-A149 HydrophobicContact CD2-CB 4.27Å; V145-A149 WeakPolarHBondContact O-CB 3.27Å; V145-A149 PolarHBondContact O-N 3.31Å; V146-A149 WeakPolarHBondContact O-CB 3.19Å; V146-A149 PolarHBondContact O-N 2.99Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 2.88Å
150I86.5Confident74.3Confident31 Ų3192.6 Ų92.616%0.15948%0.479CS..Hα-helixtrans-69.7-46.2173.1-65.4158.6000111L119 V123 I135 V146 M147 K148 E152 L153 M154L119-I150 HydrophobicContact CD2-CD1 4.48Å; L119-I150 HydrophobicContact CD2-CG1 4.02Å; L119-I150 HydrophobicContact CG-CG1 4.27Å; V123-I150 HydrophobicContact CG1-CD1 4.17Å; V123-I150 HydrophobicContact CG1-CG1 4.4Å; V123-I150 HydrophobicContact CG1-CG2 4.14Å; V123-I150 HydrophobicContact CG2-CD1 3.89Å; V123-I150 HydrophobicContact CG2-CG1 4.3Å; I135-I150 HydrophobicContact CD1-CD1 4.49Å; V146-I150 HydrophobicContact CG1-CD1 3.94Å; V146-I150 WeakPolarHBondContact O-CD1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.46Å; V146-I150 PolarHBondContact O-N 3.31Å; M147-I150 PolarHBondContact O-N 3.3Å; K148-I150 VanDerWaalsContact C-N 3.35Å; K148-I150 PolarHBondContact O-N 2.91Å; I150-E152 VanDerWaalsContact C-N 3.26Å; I150-E152 PolarHBondContact O-N 2.94Å; I150-L153 WeakPolarHBondContact O-CB 3.45Å; I150-L153 PolarHBondContact O-N 2.7Å; I150-M154 HydrophobicContact CG2-SD 3.89Å; I150-M154 WeakPolarHBondContact O-CG 3.22Å
151Q86.1Confident72.2Confident105 Ų10589.1 Ų89.149%0.49148%0.479SS..Hα-helixtrans-61.3-34.6179.8-73.8177.16.700112.7M147 K148 L153 M154M147-Q151 HydrophobicContact CG-CG 4.48Å; M147-Q151 WeakPolarHBondContact O-CG 3.38Å; M147-Q151 PolarHBondContact O-N 2.85Å; K148-Q151 PolarHBondContact O-N 2.92Å; Q151-L153 VanDerWaalsContact C-N 3.27Å; Q151-L153 PolarHBondContact O-N 3.38Å; Q151-M154 PolarHBondContact O-N 2.91Å
152E84.4Confident69.7Low102 Ų10295.8 Ų95.848%0.47751%0.506SS..Hα-helixtrans-62.9-32.5174.5-172164.6-133.400112.7Q116 K148 I150 M154Q116-E152 PolarHBondContact NE2-OE2 3.49Å; K148-E152 PolarHBondContact O-N 2.78Å; I150-E152 VanDerWaalsContact C-N 3.26Å; I150-E152 PolarHBondContact O-N 2.94Å; E152-M154 VanDerWaalsContact C-N 3.26Å; E152-M154 PolarHBondContact O-N 2.89Å
153L76.1Confident67.7Low1 Ų198.3 Ų98.31%0.00553%0.534CS..THydrogen-bonded Turntrans-78.62.9175.4-69.2163.2000114.3Q89 F94 Q116 L117 R124 I150 Q151Q89-L153 PolarHBondContact NE2-O 2.84Å; F94-L153 HydrophobicContact CD2-CD2 3.67Å; F94-L153 HydrophobicContact CE2-CD2 3.76Å; F94-L153 HydrophobicContact CE2-CG 4.39Å; F94-L153 HydrophobicContact CG-CD2 4.17Å; F94-L153 HydrophobicContact CZ-CD2 4.31Å; Q116-L153 HydrophobicContact CG-CD1 3.97Å; Q116-L153 HydrophobicContact CG-CG 4.43Å; L117-L153 HydrophobicContact CD2-CD2 4.45Å; R124-L153 PolarHBondContact NH1-O 3.36Å; I150-L153 WeakPolarHBondContact O-CB 3.45Å; I150-L153 PolarHBondContact O-N 2.7Å; Q151-L153 VanDerWaalsContact C-N 3.27Å; Q151-L153 PolarHBondContact O-N 3.38Å
154M74Confident65.5Low125 Ų125102 Ų10262%0.61656%0.56SS**THydrogen-bonded Turntrans-129.7-1.3-168.2-68.2-173.576.800117.2I150 Q151 E152I150-M154 HydrophobicContact CG2-SD 3.89Å; I150-M154 WeakPolarHBondContact O-CG 3.22Å; Q151-M154 PolarHBondContact O-N 2.91Å; E152-M154 VanDerWaalsContact C-N 3.26Å; E152-M154 PolarHBondContact O-N 2.89Å
155K71.6Confident62.9Low165 Ų165105.3 Ų105.372%0.71758%0.576SS**  trans-72.5142.5-174.4-68.2177.8-176.71710114
156K49.3Very low60.8Low208 Ų208112.2 Ų112.290%0.90461%0.611SS**  trans-152.8128.6179.1-167.1173.8-174.3173.70110.9
157D40.3Very low58.3Low156 Ų156118.2 Ų118.283%0.83465%0.653SS**  trans-89.8152-171.5-74.3-43.1000115.7
158N32.7Very low55.8Low174 Ų174117 Ų11793%0.9366%0.664SS**  trans179.1152.4148.9-99.8-10.8000114.1
159S34.9Very low53.6Low120 Ų120117.7 Ų117.784%0.83967%0.673SS**  trans-159.2168.4177.666.20000116.7
160A36.6Very low51.6Low101 Ų101120.6 Ų120.684%0.83569%0.692SS**  trans76.2157.1168.600000119.7
161A43.4Very low49.8Very low94 Ų94128.1 Ų128.178%0.77773%0.726SS**  cis-178.9161.7-2600000109.9
162M35Very low48.1Very low201 Ų201127.2 Ų127.299%0.9972%0.722SS**  trans178.4151.8155.8-108.7-86.9-144.700117.4
163G49.4Very low46.2Very low62 Ų62128.8 Ų128.864%0.63973%0.729SS**  trans159.3130.8161.700000115.7
164T40.9Very low44.9Very low136 Ų136134.3 Ų134.383%0.83476%0.763SS**  trans-173.8117.9171.9-60.40000108.5
165E34.7Very low44.1Very low187 Ų187134.7 Ų134.787%0.87476%0.761SS**  72.6153.886.3-59.4-149.3153.100119.8
166L47.8Very low43.2Very low178 Ų178130.8 Ų130.893%0.93274%0.744SS**  trans-140.6161.3-169.9-79.7171.2000113.6
167S35.4Very low43.4Very low127 Ų127126.7 Ų126.789%0.88873%0.731SS**  trans-163.4171.6171.561.60000111.3
168G38.2Very low44.2Very low65 Ų65125.7 Ų125.767%0.6773%0.725SS**  cis163.6171.8-800000113.5
169D41.1Very low45.4Very low130 Ų130120 Ų12070%0.69569%0.693SS**  trans75.2168.5155.8-131.845.1000119.8Q172D169-Q172 VanDerWaalsContact CA-OE1 3.32Å; D169-Q172 PolarHBondContact O-NE2 3.44Å; D169-Q172 PolarHBondContact O-OE1 3.45Å
170P45.9Very low46.7Very low65 Ų65116.5 Ų116.542%0.42267%0.665SS.*SBend-129.325.3-73.943.3-31.7000117Q172 Q173P170-Q172 CarbonylContact O-C 3.58Å; P170-Q172 PolarHBondContact O-N 3.25Å; P170-Q172 VanDerWaalsContact O-N 3.08Å; P170-Q173 WeakPolarHBondContact O-CB 3.01Å; P170-Q173 PolarHBondContact O-N 3.46Å
171E47.2Very low47.9Very low189 Ų189117 Ų11788%0.88365%0.653SS**THydrogen-bonded Turntrans-57.9-21.5164.4-89.9-176.4154.200111.7Q173E171-Q173 PolarHBondContact O-N 3.11Å
172Q50.8Low48.9Very low86 Ų86116.2 Ų116.240%0.40264%0.642SS.*Hα-helixtrans-41.5-1.6153.7-58.1149.6-4.700116.2D169 P170 K176D169-Q172 VanDerWaalsContact CA-OE1 3.32Å; D169-Q172 PolarHBondContact O-NE2 3.44Å; D169-Q172 PolarHBondContact O-OE1 3.45Å; P170-Q172 CarbonylContact O-C 3.58Å; P170-Q172 PolarHBondContact O-N 3.25Å; P170-Q172 VanDerWaalsContact O-N 3.08Å; Q172-K176 WeakPolarHBondContact O-CA 3.35Å; Q172-K176 WeakPolarHBondContact O-CB 3.42Å; Q172-K176 VanDerWaalsContact O-CD 3.25Å; Q172-K176 WeakPolarHBondContact O-CD 3.45Å; Q172-K176 WeakPolarHBondContact O-CG 3.49Å; Q172-K176 PolarHBondContact O-N 2.86Å
173Q45.4Very low50.5Low135 Ų135111 Ų11163%0.63162%0.615SS**Hα-helixtrans-92.5-21.5-172.4-135.9179.663.500117.2P170 E171 K176P170-Q173 WeakPolarHBondContact O-CB 3.01Å; P170-Q173 PolarHBondContact O-N 3.46Å; E171-Q173 PolarHBondContact O-N 3.11Å; Q173-K176 HydrophobicContact CG-CD 4.24Å; Q173-K176 WeakPolarHBondContact O-CB 3.43Å
174V49.2Very low51.5Low116 Ų116113.5 Ų113.570%0.70361%0.613SS**Hα-helixtrans-116.9-25.8169.1176.20000110.9L177V174-L177 PolarHBondContact O-N 2.91Å
175K56.2Low52.7Low133 Ų133112 Ų11258%0.57860%0.598SS**Hα-helixtrans-54-40.4150-145.6-171.5171.1-135.80109.1L177 L178 E179K175-L177 PolarHBondContact O-N 3.13Å; K175-L178 CarbonylContact O-C 3.25Å; K175-L178 PolarHBondContact O-N 3.37Å; K175-E179 VanDerWaalsContact C-OE2 3.29Å; K175-E179 WeakPolarHBondContact CB-OE2 3.47Å; K175-E179 WeakPolarHBondContact CD-OE1 3.42Å; K175-E179 WeakPolarHBondContact CD-OE2 3.33Å; K175-E179 WeakPolarHBondContact CE-OE1 3.32Å; K175-E179 VanDerWaalsContact CG-CD 3.45Å; K175-E179 HydrophobicContact CG-CG 4.01Å; K175-E179 WeakPolarHBondContact CG-OE2 3.48Å; K175-E179 IonicContact NZ-OE1 2.99Å; K175-E179 PolarHBondContact NZ-OE1 2.92Å; K175-E179 VanDerWaalsContact O-CB 3.23Å; K175-E179 WeakPolarHBondContact O-CB 3.27Å; K175-E179 WeakPolarHBondContact O-CG 3.43Å; K175-E179 PolarHBondContact O-N 3.43Å
176K52.9Low54.5Low84 Ų84106.5 Ų106.537%0.36558%0.58SS.*Hα-helixtrans-44.1-65.6165.9-109.8161.7173.3159.90112Q172 Q173 L178 E179 D180Q172-K176 WeakPolarHBondContact O-CA 3.35Å; Q172-K176 WeakPolarHBondContact O-CB 3.42Å; Q172-K176 VanDerWaalsContact O-CD 3.25Å; Q172-K176 WeakPolarHBondContact O-CD 3.45Å; Q172-K176 WeakPolarHBondContact O-CG 3.49Å; Q172-K176 PolarHBondContact O-N 2.86Å; Q173-K176 HydrophobicContact CG-CD 4.24Å; Q173-K176 WeakPolarHBondContact O-CB 3.43Å; K176-L178 CarbonylContact O-C 3.49Å; K176-L178 PolarHBondContact O-N 2.77Å; K176-E179 CarbonylContact O-C 3.57Å; K176-E179 VanDerWaalsContact O-C 3.25Å; K176-E179 WeakPolarHBondContact O-CA 3.46Å; K176-E179 PolarHBondContact O-N 2.92Å; K176-D180 VanDerWaalsContact C-CG 3.42Å; K176-D180 VanDerWaalsContact CB-OD2 3.3Å; K176-D180 WeakPolarHBondContact CB-OD2 3.2Å; K176-D180 WeakPolarHBondContact CG-OD1 3.14Å; K176-D180 WeakPolarHBondContact O-CA 3.46Å; K176-D180 WeakPolarHBondContact O-CB 3.25Å; K176-D180 PolarHBondContact O-N 2.84Å
177L53.2Low55.9Low121 Ų121103.2 Ų103.263%0.63456%0.56SS**Hα-helixtrans-58.1-15.9-170.1-67.8168.5000116.1V174 K175 D180V174-L177 PolarHBondContact O-N 2.91Å; K175-L177 PolarHBondContact O-N 3.13Å; L177-D180 WeakPolarHBondContact CA-OD2 3.12Å; L177-D180 PolarHBondContact N-OD2 2.73Å
178L57.7Low57.8Low136 Ų136104.2 Ų104.271%0.71255%0.548SS*.Hα-helixtrans-95.8-37.9165-79.6162.4000114.3K175 K176 D180 L181 S182K175-L178 CarbonylContact O-C 3.25Å; K175-L178 PolarHBondContact O-N 3.37Å; K176-L178 CarbonylContact O-C 3.49Å; K176-L178 PolarHBondContact O-N 2.77Å; L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 3.43Å; L178-L181 PolarHBondContact O-N 3.43Å; L178-S182 WeakPolarHBondContact O-CB 3.37Å; L178-S182 PolarHBondContact O-N 2.74Å
179E58.5Low59.7Low53 Ų53107.1 Ų107.125%0.24854%0.544CS..Hα-helixtrans-68-17.5168.6-72.8176.214100113.1K175 K176 S182 E183K175-E179 VanDerWaalsContact C-OE2 3.29Å; K175-E179 WeakPolarHBondContact CB-OE2 3.47Å; K175-E179 WeakPolarHBondContact CD-OE1 3.42Å; K175-E179 WeakPolarHBondContact CD-OE2 3.33Å; K175-E179 WeakPolarHBondContact CE-OE1 3.32Å; K175-E179 VanDerWaalsContact CG-CD 3.45Å; K175-E179 HydrophobicContact CG-CG 4.01Å; K175-E179 WeakPolarHBondContact CG-OE2 3.48Å; K175-E179 IonicContact NZ-OE1 2.99Å; K175-E179 PolarHBondContact NZ-OE1 2.92Å; K175-E179 VanDerWaalsContact O-CB 3.23Å; K175-E179 WeakPolarHBondContact O-CB 3.27Å; K175-E179 WeakPolarHBondContact O-CG 3.43Å; K175-E179 PolarHBondContact O-N 3.43Å; K176-E179 CarbonylContact O-C 3.57Å; K176-E179 VanDerWaalsContact O-C 3.25Å; K176-E179 WeakPolarHBondContact O-CA 3.46Å; K176-E179 PolarHBondContact O-N 2.92Å; E179-S182 CarbonylContact O-C 3.56Å; E179-E183 VanDerWaalsContact O-CA 3.22Å; E179-E183 WeakPolarHBondContact O-CA 3.34Å; E179-E183 WeakPolarHBondContact O-CB 3.46Å; E179-E183 WeakPolarHBondContact O-CG 3.43Å; E179-E183 PolarHBondContact O-N 3.3Å
180D61.4Low61.5Low47 Ų47103.1 Ų103.125%0.25153%0.529SS..Hα-helixtrans-88.4-34.1178.7-79.8-38.5000107.5K176 L177 L178 L184K176-D180 VanDerWaalsContact C-CG 3.42Å; K176-D180 VanDerWaalsContact CB-OD2 3.3Å; K176-D180 WeakPolarHBondContact CB-OD2 3.2Å; K176-D180 WeakPolarHBondContact CG-OD1 3.14Å; K176-D180 WeakPolarHBondContact O-CA 3.46Å; K176-D180 WeakPolarHBondContact O-CB 3.25Å; K176-D180 PolarHBondContact O-N 2.84Å; L177-D180 WeakPolarHBondContact CA-OD2 3.12Å; L177-D180 PolarHBondContact N-OD2 2.73Å; L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 3.43Å; D180-L184 WeakPolarHBondContact O-CB 3.49Å; D180-L184 WeakPolarHBondContact O-CD1 3.14Å; D180-L184 PolarHBondContact O-N 3.25Å
181L60.8Low63Low113 Ų113105.1 Ų105.159%0.59254%0.536SS*.Hα-helixtrans-76.9-36.3169.1-116.1169.3000110.2L178 M185L178-L181 PolarHBondContact O-N 3.43Å; L181-M185 WeakPolarHBondContact O-CB 3.42Å; L181-M185 WeakPolarHBondContact O-CG 3.22Å; L181-M185 PolarHBondContact O-N 3.48Å
182S66Low64.5Low76 Ų7698.9 Ų98.953%0.53152%0.517SS..Hα-helixtrans-72.5-32.7169.4-162.90000112.1L178 E179 S186L178-S182 WeakPolarHBondContact O-CB 3.37Å; L178-S182 PolarHBondContact O-N 2.74Å; E179-S182 CarbonylContact O-C 3.56Å; S182-S186 WeakPolarHBondContact O-CB 3.16Å; S182-S186 PolarHBondContact O-N 3.18Å
183E68Low65.8Low92 Ų92100.4 Ų100.443%0.4352%0.524SS..Hα-helixtrans-75.4-43.4174-86.2164.9-177.600108.2E179 M185 S186 E187E179-E183 VanDerWaalsContact O-CA 3.22Å; E179-E183 WeakPolarHBondContact O-CA 3.34Å; E179-E183 WeakPolarHBondContact O-CB 3.46Å; E179-E183 WeakPolarHBondContact O-CG 3.43Å; E179-E183 PolarHBondContact O-N 3.3Å; E183-M185 VanDerWaalsContact C-N 3.25Å; E183-M185 PolarHBondContact O-N 2.94Å; E183-S186 CarbonylContact O-C 3.6Å; E183-S186 PolarHBondContact O-N 2.85Å; E183-S186 VanDerWaalsContact O-N 3.08Å; E183-E187 WeakPolarHBondContact O-CA 3.5Å; E183-E187 WeakPolarHBondContact O-CB 3.33Å; E183-E187 WeakPolarHBondContact O-CG 3.44Å; E183-E187 PolarHBondContact O-N 3.47Å
184L69.3Low67.6Low114 Ų114101.9 Ų101.960%0.59752%0.523SS*.Hα-helixtrans-60.9-33.5170.9-101118.7000112.6D180 K188D180-L184 WeakPolarHBondContact O-CB 3.49Å; D180-L184 WeakPolarHBondContact O-CD1 3.14Å; D180-L184 PolarHBondContact O-N 3.25Å; L184-K188 WeakPolarHBondContact O-CB 3.21Å; L184-K188 PolarHBondContact O-N 2.8Å
185M67.1Low69Low106 Ų10699.6 Ų99.652%0.52251%0.512SS..Hα-helixtrans-68.6-46.4171.3-74.9-93.4-69.500111.2L181 E183 K188 E189L181-M185 WeakPolarHBondContact O-CB 3.42Å; L181-M185 WeakPolarHBondContact O-CG 3.22Å; L181-M185 PolarHBondContact O-N 3.48Å; E183-M185 VanDerWaalsContact C-N 3.25Å; E183-M185 PolarHBondContact O-N 2.94Å; M185-K188 PolarHBondContact O-N 3.04Å; M185-E189 WeakPolarHBondContact O-CB 3.49Å; M185-E189 WeakPolarHBondContact O-CG 3.32Å; M185-E189 PolarHBondContact O-N 2.88Å
186S72.7Confident70.3Confident70 Ų70100.1 Ų100.149%0.4952%0.516SS..Hα-helixtrans-67.7-31.4177.1-172.60000113S182 E183 E189 A190S182-S186 WeakPolarHBondContact O-CB 3.16Å; S182-S186 PolarHBondContact O-N 3.18Å; E183-S186 CarbonylContact O-C 3.6Å; E183-S186 PolarHBondContact O-N 2.85Å; E183-S186 VanDerWaalsContact O-N 3.08Å; S186-E189 CarbonylContact O-C 3.59Å; S186-A190 WeakPolarHBondContact O-CA 3.45Å; S186-A190 WeakPolarHBondContact O-CB 3.41Å; S186-A190 PolarHBondContact O-N 3.49Å
187E77.6Confident71.8Confident109 Ų109101.3 Ų101.351%0.50952%0.523SS..Hα-helixtrans-76.9-39.5176.1-79.5-178.8167.500109.1E183 E189 A190 L191E183-E187 WeakPolarHBondContact O-CA 3.5Å; E183-E187 WeakPolarHBondContact O-CB 3.33Å; E183-E187 WeakPolarHBondContact O-CG 3.44Å; E183-E187 PolarHBondContact O-N 3.47Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-A190 CarbonylContact O-C 3.55Å; E187-A190 PolarHBondContact O-N 2.83Å; E187-L191 WeakPolarHBondContact O-CA 3.46Å; E187-L191 WeakPolarHBondContact O-CB 3.46Å; E187-L191 WeakPolarHBondContact O-CD1 3.1Å; E187-L191 WeakPolarHBondContact O-CG 3.11Å; E187-L191 PolarHBondContact O-N 2.97Å
188K75.5Confident73.2Confident148 Ų14899.5 Ų99.564%0.64351%0.514SS*.Hα-helixtrans-63.8-41.4169.7178.4-166.8168.8-159.80110.8L184 M185 A192L184-K188 WeakPolarHBondContact O-CB 3.21Å; L184-K188 PolarHBondContact O-N 2.8Å; M185-K188 PolarHBondContact O-N 3.04Å; K188-A192 VanDerWaalsContact O-CB 3.3Å; K188-A192 WeakPolarHBondContact O-CB 3.27Å; K188-A192 PolarHBondContact O-N 3.11Å
189E76.3Confident74.4Confident127 Ų12798.5 Ų98.559%0.59351%0.509SS*.Hα-helixtrans-70.4-37.2174.8-75.7179.8161.900111.9M185 S186 E187 A192 Q193M185-E189 WeakPolarHBondContact O-CB 3.49Å; M185-E189 WeakPolarHBondContact O-CG 3.32Å; M185-E189 PolarHBondContact O-N 2.88Å; S186-E189 CarbonylContact O-C 3.59Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E189-A192 PolarHBondContact O-N 2.84Å; E189-Q193 WeakPolarHBondContact O-CB 3.28Å; E189-Q193 WeakPolarHBondContact O-CG 3.42Å; E189-Q193 PolarHBondContact O-N 2.77Å
190A79.5Confident75.8Confident45 Ų45101.6 Ų101.637%0.37253%0.527SS..Hα-helixtrans-72.1-32.4174.100000112.5S186 E187 R194S186-A190 WeakPolarHBondContact O-CA 3.45Å; S186-A190 WeakPolarHBondContact O-CB 3.41Å; S186-A190 PolarHBondContact O-N 3.49Å; E187-A190 CarbonylContact O-C 3.55Å; E187-A190 PolarHBondContact O-N 2.83Å; A190-R194 WeakPolarHBondContact O-CB 3.44Å; A190-R194 PolarHBondContact O-N 3.44Å
191L77Confident77Confident108 Ų108104.4 Ų104.457%0.56554%0.538SS*.Hα-helixtrans-69.7-39.1169.4-90.3151.3000110.4E187 R194 C195E187-L191 WeakPolarHBondContact O-CA 3.46Å; E187-L191 WeakPolarHBondContact O-CB 3.46Å; E187-L191 WeakPolarHBondContact O-CD1 3.1Å; E187-L191 WeakPolarHBondContact O-CG 3.11Å; E187-L191 PolarHBondContact O-N 2.97Å; L191-R194 PolarHBondContact O-N 3.34Å; L191-C195 WeakPolarHBondContact O-CB 3.09Å; L191-C195 PolarHBondContact O-N 2.7Å; L191-C195 PolarHBondContact O-SG 2.68Å
192A78.4Confident78.2Confident58 Ų58102.8 Ų102.848%0.47953%0.533SS..Hα-helixtrans-65.4-44.2173.300000111.5K188 E189 C195 Q196K188-A192 VanDerWaalsContact O-CB 3.3Å; K188-A192 WeakPolarHBondContact O-CB 3.27Å; K188-A192 PolarHBondContact O-N 3.11Å; E189-A192 PolarHBondContact O-N 2.84Å; A192-C195 PolarHBondContact O-N 3.31Å; A192-Q196 WeakPolarHBondContact O-CB 3.4Å; A192-Q196 PolarHBondContact O-N 3.49Å
193Q79.3Confident79.3Confident118 Ų118101.7 Ų101.755%0.55153%0.529SS*.Hα-helixtrans-60.3-45.9171.5-76.9176.5-4.900111E189 C195 Q196 E197E189-Q193 WeakPolarHBondContact O-CB 3.28Å; E189-Q193 WeakPolarHBondContact O-CG 3.42Å; E189-Q193 PolarHBondContact O-N 2.77Å; Q193-C195 PolarHBondContact O-N 3.23Å; Q193-Q196 CarbonylContact O-C 3.47Å; Q193-Q196 WeakPolarHBondContact O-CA 3.5Å; Q193-Q196 WeakPolarHBondContact O-CB 3.38Å; Q193-Q196 PolarHBondContact O-N 3.48Å; Q193-E197 WeakPolarHBondContact O-CB 3.32Å; Q193-E197 WeakPolarHBondContact O-CG 3.38Å; Q193-E197 PolarHBondContact O-N 3.22Å
194R82.5Confident80.3Confident166 Ų166100.6 Ų100.663%0.62653%0.528SS*.Hα-helixtrans-66.7-34.6178.6-171.1170.9-173.3158.13.8112.9A190 L191 L198A190-R194 WeakPolarHBondContact O-CB 3.44Å; A190-R194 PolarHBondContact O-N 3.44Å; L191-R194 PolarHBondContact O-N 3.34Å; R194-L198 HydrophobicContact CG-CD1 4.35Å; R194-L198 VanDerWaalsContact O-CB 3.3Å; R194-L198 WeakPolarHBondContact O-CB 3.12Å; R194-L198 WeakPolarHBondContact O-CD1 3.12Å; R194-L198 WeakPolarHBondContact O-CG 3.27Å; R194-L198 PolarHBondContact O-N 3.45Å
195C78.8Confident81.2Confident67 Ų67100 Ų10045%0.45353%0.525SS..Hα-helixtrans-63.2-44168.2-76.50000110.6L191 A192 Q193 E197 L198 D199L191-C195 WeakPolarHBondContact O-CB 3.09Å; L191-C195 PolarHBondContact O-N 2.7Å; L191-C195 PolarHBondContact O-SG 2.68Å; A192-C195 PolarHBondContact O-N 3.31Å; Q193-C195 PolarHBondContact O-N 3.23Å; C195-E197 PolarHBondContact O-N 3.17Å; C195-L198 PolarHBondContact O-N 3.21Å; C195-D199 WeakPolarHBondContact O-CB 3.49Å; C195-D199 VanDerWaalsContact O-CG 3.27Å; C195-D199 PolarHBondContact O-N 3.47Å
196Q83.4Confident82.2Confident144 Ų14499.6 Ų99.667%0.67352%0.524SS*.Hα-helixtrans-67.4-34.8178.1-159.9170.232.100112.8A192 Q193 L200A192-Q196 WeakPolarHBondContact O-CB 3.4Å; A192-Q196 PolarHBondContact O-N 3.49Å; Q193-Q196 CarbonylContact O-C 3.47Å; Q193-Q196 WeakPolarHBondContact O-CA 3.5Å; Q193-Q196 WeakPolarHBondContact O-CB 3.38Å; Q193-Q196 PolarHBondContact O-N 3.48Å; Q196-L200 WeakPolarHBondContact O-CB 3.34Å; Q196-L200 PolarHBondContact O-N 3.3Å
197E84.3Confident83Confident109 Ų109102.9 Ų102.951%0.50953%0.532SS..Hα-helixtrans-68.4-39.2170.9-73.8174.2168.600111.8Q193 C195 L200 Q201Q193-E197 WeakPolarHBondContact O-CB 3.32Å; Q193-E197 WeakPolarHBondContact O-CG 3.38Å; Q193-E197 PolarHBondContact O-N 3.22Å; C195-E197 PolarHBondContact O-N 3.17Å; E197-L200 PolarHBondContact O-N 3.3Å; E197-Q201 WeakPolarHBondContact O-CB 3.04Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.09Å; E197-Q201 PolarHBondContact O-N 3.47Å
198L82.7Confident83.5Confident84 Ų84102.6 Ų102.644%0.4453%0.531SS..Hα-helixtrans-68.2-41.4174.2-76.5168000111.3R194 C195 L200 Q201 V202R194-L198 HydrophobicContact CG-CD1 4.35Å; R194-L198 VanDerWaalsContact O-CB 3.3Å; R194-L198 WeakPolarHBondContact O-CB 3.12Å; R194-L198 WeakPolarHBondContact O-CD1 3.12Å; R194-L198 WeakPolarHBondContact O-CG 3.27Å; R194-L198 PolarHBondContact O-N 3.45Å; C195-L198 PolarHBondContact O-N 3.21Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.64Å; L198-Q201 PolarHBondContact O-N 3.34Å; L198-V202 WeakPolarHBondContact O-CB 3.42Å; L198-V202 VanDerWaalsContact O-CG2 3.28Å; L198-V202 WeakPolarHBondContact O-CG2 3.19Å; L198-V202 PolarHBondContact O-N 2.98Å
199D84.2Confident84.2Confident114 Ų114102.6 Ų102.661%0.6153%0.526SS*.Hα-helixtrans-61.2-39.9172.7-72-29.9000110.8C195 V202 A203C195-D199 WeakPolarHBondContact O-CB 3.49Å; C195-D199 VanDerWaalsContact O-CG 3.27Å; C195-D199 PolarHBondContact O-N 3.47Å; D199-V202 PolarHBondContact O-N 2.94Å; D199-A203 WeakPolarHBondContact O-CB 3.21Å; D199-A203 PolarHBondContact O-N 3.26Å
200L87.7Confident84.8Confident119 Ų119100.5 Ų100.562%0.62352%0.52SS*.Hα-helixtrans-66.5-43.2174.4-162.579.3000111.9Q196 E197 L198 A203 V204Q196-L200 WeakPolarHBondContact O-CB 3.34Å; Q196-L200 PolarHBondContact O-N 3.3Å; E197-L200 PolarHBondContact O-N 3.3Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 2.64Å; L200-A203 WeakPolarHBondContact O-CB 3.37Å; L200-A203 PolarHBondContact O-N 3.27Å; L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.87Å
201Q86.3Confident85.3Confident105 Ų105101.8 Ų101.849%0.49153%0.525SS..Hα-helixtrans-62.6-41.3174.6-76.717241.400111.7E197 L198 A203 V204 L205E197-Q201 WeakPolarHBondContact O-CB 3.04Å; E197-Q201 VanDerWaalsContact O-CG 3.29Å; E197-Q201 WeakPolarHBondContact O-CG 3.09Å; E197-Q201 PolarHBondContact O-N 3.47Å; L198-Q201 PolarHBondContact O-N 3.34Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; Q201-V204 PolarHBondContact O-N 2.94Å; Q201-L205 WeakPolarHBondContact O-CB 3.38Å; Q201-L205 VanDerWaalsContact O-CG 3.26Å; Q201-L205 WeakPolarHBondContact O-CG 3.36Å; Q201-L205 PolarHBondContact O-N 2.84Å
202V86.4Confident85.9Confident80 Ų80101.9 Ų101.949%0.48553%0.526SS..Hα-helixtrans-63.7-39.5174.6168.60000110.9L198 D199 L206L198-V202 WeakPolarHBondContact O-CB 3.42Å; L198-V202 VanDerWaalsContact O-CG2 3.28Å; L198-V202 WeakPolarHBondContact O-CG2 3.19Å; L198-V202 PolarHBondContact O-N 2.98Å; D199-V202 PolarHBondContact O-N 2.94Å; V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.46Å; V202-L206 WeakPolarHBondContact O-CB 3.47Å; V202-L206 VanDerWaalsContact O-CG 3.23Å; V202-L206 WeakPolarHBondContact O-CG 3.14Å; V202-L206 PolarHBondContact O-N 2.79Å
203A87.8Confident86.4Confident53 Ų53102.6 Ų102.644%0.43852%0.521SS..Hα-helixtrans-62.6-46174.300000112.3D199 L200 Q201 L206 E207D199-A203 WeakPolarHBondContact O-CB 3.21Å; D199-A203 PolarHBondContact O-N 3.26Å; L200-A203 WeakPolarHBondContact O-CB 3.37Å; L200-A203 PolarHBondContact O-N 3.27Å; Q201-A203 VanDerWaalsContact C-N 3.33Å; A203-L206 PolarHBondContact O-N 3.35Å; A203-E207 PolarHBondContact O-N 3.15Å
204V89.9Confident86.9Confident69 Ų6999.5 Ų99.542%0.41852%0.516SS..Hα-helixtrans-62-47.71761720000111.3L200 Q201 L206 E207 E208L200-V204 WeakPolarHBondContact O-CG2 3.5Å; L200-V204 PolarHBondContact O-N 2.87Å; Q201-V204 PolarHBondContact O-N 2.94Å; V204-L206 VanDerWaalsContact C-N 3.28Å; V204-L206 PolarHBondContact O-N 2.74Å; V204-E207 WeakPolarHBondContact O-CB 3.43Å; V204-E207 PolarHBondContact O-N 3.49Å; V204-E208 HydrophobicContact CG1-CG 4.38Å; V204-E208 WeakPolarHBondContact O-CG 3.14Å; V204-E208 PolarHBondContact O-N 3.43Å
205L87.9Confident87.2Confident102 Ų10297.1 Ų97.153%0.53451%0.512SS..Hα-helixtrans-63.2-32.4178.4-72.1169.2000112.6Q201 R209Q201-L205 WeakPolarHBondContact O-CB 3.38Å; Q201-L205 VanDerWaalsContact O-CG 3.26Å; Q201-L205 WeakPolarHBondContact O-CG 3.36Å; Q201-L205 PolarHBondContact O-N 2.84Å; L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 PolarHBondContact O-N 3.34Å
206L88.2Confident87.5Confident96 Ų9698.5 Ų98.550%0.50352%0.515SS..Hα-helixtrans-69.2-37.4172.4-76.5169.4000112V202 A203 V204 N210V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.46Å; V202-L206 WeakPolarHBondContact O-CB 3.47Å; V202-L206 VanDerWaalsContact O-CG 3.23Å; V202-L206 WeakPolarHBondContact O-CG 3.14Å; V202-L206 PolarHBondContact O-N 2.79Å; A203-L206 PolarHBondContact O-N 3.35Å; V204-L206 VanDerWaalsContact C-N 3.28Å; V204-L206 PolarHBondContact O-N 2.74Å; L206-N210 WeakPolarHBondContact O-CB 3.46Å; L206-N210 PolarHBondContact O-N 3.2Å; L206-N210 VanDerWaalsContact O-N 3.08Å; L206-N210 PolarHBondContact O-ND2 2.69Å; L206-N210 VanDerWaalsContact O-ND2 3.08Å
207E89.3Confident87.8Confident139 Ų13996.5 Ų96.565%0.6551%0.509SS*.Hα-helixtrans-68.6-45.6175.5-171.3167.3-161.200111.8A203 V204 N210 S211A203-E207 PolarHBondContact O-N 3.15Å; V204-E207 WeakPolarHBondContact O-CB 3.43Å; V204-E207 PolarHBondContact O-N 3.49Å; E207-N210 PolarHBondContact O-N 3.3Å; E207-S211 PolarHBondContact O-N 3.28Å; E207-S211 PolarHBondContact O-OG 3.21Å
208E88Confident88Confident104 Ų10495.9 Ų95.949%0.48651%0.513SS..Hα-helixtrans-58.7-47.6173.2-72.4-179.3170.900111.5V204 N210 S211 L212V204-E208 HydrophobicContact CG1-CG 4.38Å; V204-E208 WeakPolarHBondContact O-CG 3.14Å; V204-E208 PolarHBondContact O-N 3.43Å; E208-N210 VanDerWaalsContact C-N 3.27Å; E208-N210 PolarHBondContact O-N 3.3Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.04Å; E208-S211 VanDerWaalsContact O-N 3.15Å; E208-L212 WeakPolarHBondContact O-CG 3.5Å; E208-L212 PolarHBondContact O-N 2.84Å
209R89.7Confident88.1Confident147 Ų14796.3 Ų96.356%0.55552%0.515SS*.Hα-helixtrans-59.6-37.2177.1177.5-88.8-175.2-175.9-1.1112.3L205 L213L205-R209 WeakPolarHBondContact O-CB 3.49Å; L205-R209 PolarHBondContact O-N 3.34Å; R209-L213 WeakPolarHBondContact O-CG 3.33Å; R209-L213 PolarHBondContact O-N 3.05Å
210N89.3Confident88.2Confident84 Ų8494.7 Ų94.745%0.44951%0.509SS..Hα-helixtrans-75.7-33.5177.5-67.9-23.1000111.9L206 E207 E208 L213 A214L206-N210 WeakPolarHBondContact O-CB 3.46Å; L206-N210 PolarHBondContact O-N 3.2Å; L206-N210 VanDerWaalsContact O-N 3.08Å; L206-N210 PolarHBondContact O-ND2 2.69Å; L206-N210 VanDerWaalsContact O-ND2 3.08Å; E207-N210 PolarHBondContact O-N 3.3Å; E208-N210 VanDerWaalsContact C-N 3.27Å; E208-N210 PolarHBondContact O-N 3.3Å; N210-L213 PolarHBondContact O-N 3.32Å; N210-A214 PolarHBondContact O-N 3.49Å; N210-A214 VanDerWaalsContact O-N 3.14Å
211S89.6Confident87.9Confident71 Ų7193.9 Ų93.950%0.49751%0.505SS..Hα-helixtrans-64.6-45.5173.1-57.40000111.7E207 E208 L213 A214 E215E207-S211 PolarHBondContact O-N 3.28Å; E207-S211 PolarHBondContact O-OG 3.21Å; E208-S211 WeakPolarHBondContact O-CB 3.29Å; E208-S211 PolarHBondContact O-N 3.04Å; E208-S211 VanDerWaalsContact O-N 3.15Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 2.91Å; S211-A214 PolarHBondContact O-N 2.97Å; S211-E215 PolarHBondContact O-N 3.14Å
212L89.3Confident87.7Confident110 Ų11097.1 Ų97.158%0.57651%0.513SS*.Hα-helixtrans-63.9-33.9176.5-72.4171.3000113E208 N216E208-L212 WeakPolarHBondContact O-CG 3.5Å; E208-L212 PolarHBondContact O-N 2.84Å; L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 3.49Å
213L90Very high87.2Confident73 Ų7395.8 Ų95.838%0.38251%0.51SS..Hα-helixtrans-65.8-45.3172.4-79.9173.2000111.8R209 N210 S211 E215 N216 D217R209-L213 WeakPolarHBondContact O-CG 3.33Å; R209-L213 PolarHBondContact O-N 3.05Å; N210-L213 PolarHBondContact O-N 3.32Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 2.91Å; L213-E215 VanDerWaalsContact C-N 3.29Å; L213-E215 PolarHBondContact O-N 2.89Å; L213-N216 WeakPolarHBondContact O-CB 3.45Å; L213-N216 PolarHBondContact O-N 3.48Å; L213-N216 VanDerWaalsContact O-N 3.09Å; L213-D217 PolarHBondContact O-N 3.48Å
214A90.2Very high86.6Confident54 Ų5496 Ų9645%0.44651%0.509SS..Hα-helixtrans-62.1-36.3177.100000112.4N210 S211 V218N210-A214 PolarHBondContact O-N 3.49Å; N210-A214 VanDerWaalsContact O-N 3.14Å; S211-A214 PolarHBondContact O-N 2.97Å; A214-V218 WeakPolarHBondContact O-CG2 3.38Å; A214-V218 PolarHBondContact O-N 3.4Å
215E89.1Confident85.7Confident116 Ų11698.7 Ų98.754%0.54252%0.517SS..Hα-helixtrans-66.6-39.6172.3-173174.5-170.200112S211 L213 V218 L219S211-E215 PolarHBondContact O-N 3.14Å; L213-E215 VanDerWaalsContact C-N 3.29Å; L213-E215 PolarHBondContact O-N 2.89Å; E215-V218 PolarHBondContact O-N 3.39Å; E215-L219 HydrophobicContact CG-CD1 4.23Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.43Å
216N84.8Confident84.7Confident95 Ų9599 Ų9951%0.50852%0.519SS..Hα-helixtrans-65.1-40.4178.1-155.8-96.7000112.6L212 L213 L219 T220L212-N216 WeakPolarHBondContact O-CB 3.44Å; L212-N216 PolarHBondContact O-N 3.49Å; L213-N216 WeakPolarHBondContact O-CB 3.45Å; L213-N216 PolarHBondContact O-N 3.48Å; L213-N216 VanDerWaalsContact O-N 3.09Å; N216-L219 PolarHBondContact O-N 3.33Å; N216-T220 WeakPolarHBondContact O-CB 3.37Å; N216-T220 PolarHBondContact O-N 2.86Å; N216-T220 PolarHBondContact O-OG1 3.39Å
217D88.4Confident83.5Confident103 Ų103100.4 Ų100.455%0.55153%0.526SS*.Hα-helixtrans-60.5-47173.5-69.3-23.2000110.5L213 L219 T220 D221L213-D217 PolarHBondContact O-N 3.48Å; D217-L219 PolarHBondContact O-N 2.84Å; D217-T220 WeakPolarHBondContact O-CB 3.35Å; D217-T220 PolarHBondContact O-N 2.92Å; D217-D221 PolarHBondContact O-N 3.41Å
218V90.1Very high82.2Confident96 Ų9697 Ų9758%0.58252%0.515SS*.Hα-helixtrans-63.1-38.3177.4170.10000112.6A214 E215 T220 R222A214-V218 WeakPolarHBondContact O-CG2 3.38Å; A214-V218 PolarHBondContact O-N 3.4Å; E215-V218 PolarHBondContact O-N 3.39Å; V218-T220 VanDerWaalsContact C-N 3.35Å; V218-R222 WeakPolarHBondContact O-CB 3.17Å; V218-R222 PolarHBondContact O-N 2.67Å
219L84.9Confident81Confident93 Ų9396.2 Ų96.249%0.48751%0.51SS..Hα-helixtrans-67.7-35.7175.2-72.7172.2000112E215 N216 D217 R222 A223E215-L219 HydrophobicContact CG-CD1 4.23Å; E215-L219 WeakPolarHBondContact O-CG 3.46Å; E215-L219 PolarHBondContact O-N 3.43Å; N216-L219 PolarHBondContact O-N 3.33Å; D217-L219 PolarHBondContact O-N 2.84Å; L219-R222 PolarHBondContact O-N 2.87Å; L219-A223 WeakPolarHBondContact O-CB 3.13Å; L219-A223 PolarHBondContact O-N 3.06Å
220T84.4Confident79.8Confident80 Ų8095.6 Ų95.649%0.49152%0.518SS..Hα-helixtrans-69.4-43.9176.5-57.80000111.5N216 D217 V218 R222 A223 S224N216-T220 WeakPolarHBondContact O-CB 3.37Å; N216-T220 PolarHBondContact O-N 2.86Å; N216-T220 PolarHBondContact O-OG1 3.39Å; D217-T220 WeakPolarHBondContact O-CB 3.35Å; D217-T220 PolarHBondContact O-N 2.92Å; V218-T220 VanDerWaalsContact C-N 3.35Å; T220-R222 VanDerWaalsContact C-N 3.29Å; T220-R222 PolarHBondContact O-N 2.98Å; T220-A223 PolarHBondContact O-N 3.02Å; T220-S224 PolarHBondContact O-N 3.17Å; T220-S224 PolarHBondContact O-OG 2.81Å
221D82.2Confident78.7Confident102 Ų10295 Ų9555%0.54552%0.515SS..Hα-helixtrans-59.8-39.9171.6-88.50.3000111.4D217 S224 Q225D217-D221 PolarHBondContact O-N 3.41Å; D221-S224 PolarHBondContact O-OG 3.22Å; D221-Q225 WeakPolarHBondContact O-CG 3.41Å; D221-Q225 PolarHBondContact O-N 2.69Å; D221-Q225 VanDerWaalsContact O-N 3.14Å
222R81.9Confident77.6Confident172 Ų17295.8 Ų95.865%0.64952%0.518SS*.Hα-helixtrans-69.2-35.2176.7-171173.9-178.4171.7-0.3112.9V218 L219 T220 L226V218-R222 WeakPolarHBondContact O-CB 3.17Å; V218-R222 PolarHBondContact O-N 2.67Å; L219-R222 PolarHBondContact O-N 2.87Å; T220-R222 VanDerWaalsContact C-N 3.29Å; T220-R222 PolarHBondContact O-N 2.98Å; R222-L226 PolarHBondContact O-N 3.28Å
223A76.1Confident76.8Confident52 Ų5293.9 Ų93.943%0.4351%0.514SS..Hα-helixtrans-66.4-48.1174.700000111.2L219 T220 Q225 L226 D227L219-A223 WeakPolarHBondContact O-CB 3.13Å; L219-A223 PolarHBondContact O-N 3.06Å; T220-A223 PolarHBondContact O-N 3.02Å; A223-Q225 PolarHBondContact O-N 2.88Å; A223-L226 WeakPolarHBondContact O-CA 3.39Å; A223-L226 WeakPolarHBondContact O-CB 3.36Å; A223-L226 PolarHBondContact O-N 2.75Å; A223-D227 PolarHBondContact O-N 2.81Å
224S75.4Confident76.1Confident59 Ų5991.9 Ų91.941%0.41351%0.505SS..Hα-helixtrans-63.1-26.8177.766.30000113.8T220 D221T220-S224 PolarHBondContact O-N 3.17Å; T220-S224 PolarHBondContact O-OG 2.81Å; D221-S224 PolarHBondContact O-OG 3.22Å
225Q70.1Confident75.5Confident125 Ų12594.6 Ų94.658%0.58452%0.518SS*.Hα-helixtrans-68.8-31.3169.9-74172.633.700112.9D221 A223 T228D221-Q225 WeakPolarHBondContact O-CG 3.41Å; D221-Q225 PolarHBondContact O-N 2.69Å; D221-Q225 VanDerWaalsContact O-N 3.14Å; A223-Q225 PolarHBondContact O-N 2.88Å; Q225-T228 PolarHBondContact O-N 3.44Å; Q225-T228 PolarHBondContact O-OG1 3.22Å
226L67.3Low75Confident108 Ų10891.7 Ų91.757%0.56551%0.511SS*.Hα-helixtrans-71.3-34.6176.6-69169.4000112R222 A223 T228 F229R222-L226 PolarHBondContact O-N 3.28Å; A223-L226 WeakPolarHBondContact O-CA 3.39Å; A223-L226 WeakPolarHBondContact O-CB 3.36Å; A223-L226 PolarHBondContact O-N 2.75Å; L226-T228 PolarHBondContact O-N 2.95Å; L226-T228 VanDerWaalsContact O-N 3.1Å; L226-F229 HydrophobicContact CD2-CD2 4.41Å; L226-F229 HydrophobicContact CD2-CE2 4.16Å; L226-F229 WeakPolarHBondContact O-CD2 3.17Å; L226-F229 PolarHBondContact O-N 3.42Å; L226-F229 VanDerWaalsContact O-N 3.16Å
227D64.2Low74.8Confident125 Ų12587.3 Ų87.367%0.66849%0.488SS*.G310 helixtrans-61.6-18173.7-66.9-22.2000113.1A223 F229A223-D227 PolarHBondContact O-N 2.81Å; D227-F229 VanDerWaalsContact C-N 3.29Å; D227-F229 PolarHBondContact O-N 3.37Å
228T61.4Low74.5Confident67 Ų6790 Ų9041%0.41149%0.49SS..G310 helixtrans-79.1-5.2177.669.80000114.9Q225 L226 D230 T234Q225-T228 PolarHBondContact O-N 3.44Å; Q225-T228 PolarHBondContact O-OG1 3.22Å; L226-T228 PolarHBondContact O-N 2.95Å; L226-T228 VanDerWaalsContact O-N 3.1Å; T228-D230 VanDerWaalsContact C-N 3.33Å; T228-T234 PolarHBondContact O-OG1 3.45Å
229F62.7Low74.3Confident88 Ų8892 Ų9239%0.38649%0.491SS..G310 helixtrans-74-23.5174.3-78.8-91.6000113.2L226 D227 G237L226-F229 HydrophobicContact CD2-CD2 4.41Å; L226-F229 HydrophobicContact CD2-CE2 4.16Å; L226-F229 WeakPolarHBondContact O-CD2 3.17Å; L226-F229 PolarHBondContact O-N 3.42Å; L226-F229 VanDerWaalsContact O-N 3.16Å; D227-F229 VanDerWaalsContact C-N 3.29Å; D227-F229 PolarHBondContact O-N 3.37Å; F229-G237 WeakPolarHBondContact O-CA 3.44Å
230D63.9Low74.3Confident135 Ų13591.8 Ų91.872%0.72249%0.488SS*.SBendtrans-82.7-10.1180-75.3-15.3000113.8T228 P232T228-D230 VanDerWaalsContact C-N 3.33Å; D230-P232 WeakPolarHBondContact O-CD 3.26Å
231D67.6Low74.3Confident71 Ų7191 Ų9138%0.3849%0.485SS..  trans-90.7111.7177.2179.89.3000112.1S233 T234D231-S233 VanDerWaalsContact CG-OG 3.23Å; D231-S233 PolarHBondContact O-N 3.39Å; D231-S233 VanDerWaalsContact O-N 3.1Å; D231-S233 WeakPolarHBondContact OD1-CB 3.19Å; D231-S233 PolarHBondContact OD1-N 2.94Å; D231-S233 PolarHBondContact OD1-OG 2.88Å; D231-S233 WeakPolarHBondContact OD2-CB 2.94Å; D231-S233 PolarHBondContact OD2-OG 3.34Å; D231-T234 HydrophobicContact CB-CG2 4.16Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 PolarHBondContact O-OG1 3.41Å; D231-T234 VanDerWaalsContact O-OG1 3.12Å
232P66.6Low74.6Confident87 Ų8791.7 Ų91.757%0.56549%0.485SS*.THydrogen-bonded Turntrans-66.4-10.8178-13.328.1000113.9D230 T234 R238D230-P232 WeakPolarHBondContact O-CD 3.26Å; P232-T234 VanDerWaalsContact C-N 3.29Å; P232-R238 WeakPolarHBondContact O-CG 3.45Å; P232-R238 PolarHBondContact O-NE 3.48Å
233S71.6Confident74.9Confident71 Ų7187.5 Ų87.550%0.49748%0.475SS..THydrogen-bonded Turntrans-68.8-31.3175.993.70000111.7D231 R238D231-S233 VanDerWaalsContact CG-OG 3.23Å; D231-S233 PolarHBondContact O-N 3.39Å; D231-S233 VanDerWaalsContact O-N 3.1Å; D231-S233 WeakPolarHBondContact OD1-CB 3.19Å; D231-S233 PolarHBondContact OD1-N 2.94Å; D231-S233 PolarHBondContact OD1-OG 2.88Å; D231-S233 WeakPolarHBondContact OD2-CB 2.94Å; D231-S233 PolarHBondContact OD2-OG 3.34Å; S233-R238 PolarHBondContact O-NH2 2.84Å
234T76.1Confident75.6Confident30 Ų3089.5 Ų89.518%0.18448%0.476CS..SBendtrans-81.1152.6-175.676.60000112.9T228 D231 P232 S236 G237 R238T228-T234 PolarHBondContact O-OG1 3.45Å; D231-T234 HydrophobicContact CB-CG2 4.16Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 PolarHBondContact O-OG1 3.41Å; D231-T234 VanDerWaalsContact O-OG1 3.12Å; P232-T234 VanDerWaalsContact C-N 3.29Å; T234-S236 PolarHBondContact O-N 3.28Å; T234-G237 PolarHBondContact O-N 3.23Å; T234-G237 PolarHBondContact OG1-N 3.36Å; T234-R238 WeakPolarHBondContact O-CG 3.42Å; T234-R238 PolarHBondContact O-N 3.49Å
235P77.7Confident76.4Confident111 Ų11192.7 Ų92.772%0.72148%0.484SS*.Hα-helixtrans-59.8-32.6174.3-24.534.9000113.7K239P235-K239 PolarHBondContact O-N 3.46Å
236S77.5Confident77.6Confident55 Ų5591.2 Ų91.239%0.38548%0.477SS..Hα-helixtrans-70-48.4177.7-59.50000111.6T234 R238 K239 H240T234-S236 PolarHBondContact O-N 3.28Å; S236-R238 PolarHBondContact O-N 3.28Å; S236-K239 PolarHBondContact O-N 3.48Å; S236-H240 PolarHBondContact O-N 2.96Å
237G80.8Confident78.8Confident3 Ų391 Ų913%0.03148%0.476CS..Hα-helixtrans-63.1-37.7177.400000113F229 T234 K239 H240 S241F229-G237 WeakPolarHBondContact O-CA 3.44Å; T234-G237 PolarHBondContact O-N 3.23Å; T234-G237 PolarHBondContact OG1-N 3.36Å; G237-K239 PolarHBondContact O-N 2.64Å; G237-H240 PolarHBondContact O-N 2.71Å; G237-S241 WeakPolarHBondContact O-CB 3.46Å; G237-S241 PolarHBondContact O-N 2.76Å
238R82.4Confident80.2Confident159 Ų15989.4 Ų89.460%0.647%0.465SS*.Hα-helixtrans-62.4-42.1172.4-67.9-177.3-159.317712.6112.9P232 S233 T234 S236 H240 Q242P232-R238 WeakPolarHBondContact O-CG 3.45Å; P232-R238 PolarHBondContact O-NE 3.48Å; S233-R238 PolarHBondContact O-NH2 2.84Å; T234-R238 WeakPolarHBondContact O-CG 3.42Å; T234-R238 PolarHBondContact O-N 3.49Å; S236-R238 PolarHBondContact O-N 3.28Å; R238-H240 VanDerWaalsContact C-N 3.34Å; R238-Q242 WeakPolarHBondContact O-CB 3.37Å; R238-Q242 PolarHBondContact O-N 3.28Å
239K85.2Confident81.9Confident139 Ų13989.1 Ų89.160%0.60446%0.463SS*.Hα-helixtrans-66.5-38.6176.1-173.8-178.1176.4-173.20111.2P235 S236 G237 L243P235-K239 PolarHBondContact O-N 3.46Å; S236-K239 PolarHBondContact O-N 3.48Å; G237-K239 PolarHBondContact O-N 2.64Å; K239-L243 HydrophobicContact CG-CD1 4.22Å; K239-L243 WeakPolarHBondContact O-CB 3.43Å; K239-L243 VanDerWaalsContact O-CG 3.31Å; K239-L243 WeakPolarHBondContact O-CG 3.32Å; K239-L243 PolarHBondContact O-N 3.02Å
240H84.8Confident83.5Confident89 Ų8989.9 Ų89.941%0.41247%0.471SS..Hα-helixtrans-62.9-51.8175.4-174.659.7000111.3S236 G237 R238 Q242 L243 Q244S236-H240 PolarHBondContact O-N 2.96Å; G237-H240 PolarHBondContact O-N 2.71Å; R238-H240 VanDerWaalsContact C-N 3.34Å; H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 2.9Å; H240-L243 PolarHBondContact O-N 3.43Å; H240-L243 VanDerWaalsContact O-N 3.13Å; H240-Q244 PolarHBondContact O-N 2.86Å
241S85.2Confident85Confident63 Ų6388.6 Ų88.644%0.44146%0.46SS..Hα-helixtrans-59.1-38.9175.9176.20000112.9G237 Q244 Q245G237-S241 WeakPolarHBondContact O-CB 3.46Å; G237-S241 PolarHBondContact O-N 2.76Å; S241-Q244 PolarHBondContact O-N 2.78Å; S241-Q245 PolarHBondContact O-N 3.33Å
242Q88.2Confident86.4Confident117 Ų11791.9 Ų91.955%0.54747%0.473SS..Hα-helixtrans-65.7-41174.8-174.1178.213.600112.4R238 H240 Q246R238-Q242 WeakPolarHBondContact O-CB 3.37Å; R238-Q242 PolarHBondContact O-N 3.28Å; H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 2.9Å; Q242-Q246 WeakPolarHBondContact O-CG 3.48Å; Q242-Q246 PolarHBondContact O-N 3.35Å
243L89.1Confident87.8Confident84 Ų8493.6 Ų93.644%0.4447%0.474SS..Hα-helixtrans-68.3-36175.2-73.6169000111.7K239 H240 Q246 L247K239-L243 HydrophobicContact CG-CD1 4.22Å; K239-L243 WeakPolarHBondContact O-CB 3.43Å; K239-L243 VanDerWaalsContact O-CG 3.31Å; K239-L243 WeakPolarHBondContact O-CG 3.32Å; K239-L243 PolarHBondContact O-N 3.02Å; H240-L243 PolarHBondContact O-N 3.43Å; H240-L243 VanDerWaalsContact O-N 3.13Å; L243-Q246 PolarHBondContact O-N 3.35Å; L243-L247 WeakPolarHBondContact O-CG 3.49Å; L243-L247 PolarHBondContact O-N 3.33Å
244Q89.7Confident88.8Confident93 Ų9394.3 Ų94.344%0.43547%0.472SS..Hα-helixtrans-63.7-48.1173.6-177.2-177.2-14.800111.1H240 S241 Q246 L247 E248H240-Q244 PolarHBondContact O-N 2.86Å; S241-Q244 PolarHBondContact O-N 2.78Å; Q244-Q246 VanDerWaalsContact C-N 3.27Å; Q244-Q246 PolarHBondContact O-N 3.47Å; Q244-L247 WeakPolarHBondContact O-CB 3.32Å; Q244-L247 PolarHBondContact O-N 3.16Å; Q244-L247 VanDerWaalsContact O-N 3.09Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.41Å; Q244-E248 PolarHBondContact NE2-OE1 3.14Å; Q244-E248 WeakPolarHBondContact O-CG 3.49Å; Q244-E248 PolarHBondContact O-N 2.89Å
245Q92.3Very high89.8Confident126 Ų12699.3 Ų99.359%0.58949%0.491SS*.Hα-helixtrans-60.7-38.2175.7-171.2178.82500111.6S241 E248 T249S241-Q245 PolarHBondContact O-N 3.33Å; Q245-E248 PolarHBondContact O-N 3.37Å; Q245-T249 WeakPolarHBondContact O-CG2 3.36Å; Q245-T249 PolarHBondContact O-N 3.44Å; Q245-T249 PolarHBondContact O-OG1 3.12Å
246Q94.5Very high90.8Very high95 Ų95103.7 Ų103.744%0.44449%0.493SS..Hα-helixtrans-63.2-43.2173.3-76.9178.7-19.800112Q242 L243 Q244 T249 L250Q242-Q246 WeakPolarHBondContact O-CG 3.48Å; Q242-Q246 PolarHBondContact O-N 3.35Å; L243-Q246 PolarHBondContact O-N 3.35Å; Q244-Q246 VanDerWaalsContact C-N 3.27Å; Q244-Q246 PolarHBondContact O-N 3.47Å; Q246-T249 WeakPolarHBondContact CA-OG1 3.46Å; Q246-T249 PolarHBondContact O-N 3.04Å; Q246-T249 PolarHBondContact O-OG1 2.94Å; Q246-L250 WeakPolarHBondContact O-CB 3.46Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.31Å; Q246-L250 PolarHBondContact O-N 3.01Å
247L92.6Very high91.7Very high104 Ų104106.9 Ų106.955%0.54551%0.506SS..Hα-helixtrans-61.2-44.3174.3-77.1165.7000112L243 Q244 L250 Q251L243-L247 WeakPolarHBondContact O-CG 3.49Å; L243-L247 PolarHBondContact O-N 3.33Å; Q244-L247 WeakPolarHBondContact O-CB 3.32Å; Q244-L247 PolarHBondContact O-N 3.16Å; Q244-L247 VanDerWaalsContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 3.21Å; L247-Q251 WeakPolarHBondContact O-CB 3.34Å; L247-Q251 VanDerWaalsContact O-CG 3.28Å; L247-Q251 WeakPolarHBondContact O-CG 3.49Å; L247-Q251 PolarHBondContact O-N 2.86Å
248E95.4Very high92.4Very high90 Ų90111.4 Ų111.442%0.42153%0.526SS..Hα-helixtrans-60.9-48176-72.4168-169.300111Q244 Q245 L250 Q251 E252Q244-E248 WeakPolarHBondContact CG-OE1 3.41Å; Q244-E248 PolarHBondContact NE2-OE1 3.14Å; Q244-E248 WeakPolarHBondContact O-CG 3.49Å; Q244-E248 PolarHBondContact O-N 2.89Å; Q245-E248 PolarHBondContact O-N 3.37Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.04Å; E248-Q251 WeakPolarHBondContact O-CB 3.32Å; E248-Q251 PolarHBondContact O-N 3.37Å; E248-E252 PolarHBondContact O-N 2.99Å
249T96.3Very high93.1Very high62 Ų62106.4 Ų106.438%0.3852%0.519SS..Hα-helixtrans-63.1-37.9176.3540000113.1Q245 Q246 Q251 E252 E253Q245-T249 WeakPolarHBondContact O-CG2 3.36Å; Q245-T249 PolarHBondContact O-N 3.44Å; Q245-T249 PolarHBondContact O-OG1 3.12Å; Q246-T249 WeakPolarHBondContact CA-OG1 3.46Å; Q246-T249 PolarHBondContact O-N 3.04Å; Q246-T249 PolarHBondContact O-OG1 2.94Å; T249-Q251 VanDerWaalsContact C-N 3.34Å; T249-E252 PolarHBondContact O-N 2.78Å; T249-E253 WeakPolarHBondContact O-CB 3.41Å; T249-E253 WeakPolarHBondContact O-CG 3.38Å; T249-E253 PolarHBondContact O-N 3.02Å
250L95.3Very high93.6Very high104 Ų104101.5 Ų101.555%0.54550%0.504SS..Hα-helixtrans-69.8-32.1176.1-73.9170.4000111.8Q246 L247 E248 N254Q246-L250 WeakPolarHBondContact O-CB 3.46Å; Q246-L250 VanDerWaalsContact O-CG 3.28Å; Q246-L250 WeakPolarHBondContact O-CG 3.31Å; Q246-L250 PolarHBondContact O-N 3.01Å; L247-L250 PolarHBondContact O-N 3.21Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 3.04Å; L250-N254 VanDerWaalsContact O-CB 3.22Å; L250-N254 WeakPolarHBondContact O-CB 3.45Å; L250-N254 PolarHBondContact O-N 3Å
251Q96.6Very high94.2Very high108 Ų108104.5 Ų104.551%0.50552%0.516SS..Hα-helixtrans-67.8-45.8172-76172.2-7.500111.2L247 E248 T249 E253 N254 F255L247-Q251 WeakPolarHBondContact O-CB 3.34Å; L247-Q251 VanDerWaalsContact O-CG 3.28Å; L247-Q251 WeakPolarHBondContact O-CG 3.49Å; L247-Q251 PolarHBondContact O-N 2.86Å; E248-Q251 WeakPolarHBondContact O-CB 3.32Å; E248-Q251 PolarHBondContact O-N 3.37Å; T249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-E253 PolarHBondContact O-N 3.2Å; Q251-N254 WeakPolarHBondContact O-CB 3.36Å; Q251-N254 PolarHBondContact O-N 3.4Å; Q251-F255 HydrophobicContact CB-CE2 4.29Å; Q251-F255 WeakPolarHBondContact O-CD2 3.23Å; Q251-F255 WeakPolarHBondContact O-CG 3.43Å; Q251-F255 PolarHBondContact O-N 3.38Å
252E96.3Very high94.8Very high140 Ų140104.9 Ų104.965%0.65451%0.513SS*.Hα-helixtrans-60.2-43.7174.8-71.4-176.6169.400112.4E248 T249 N254 R256E248-E252 PolarHBondContact O-N 2.99Å; T249-E252 PolarHBondContact O-N 2.78Å; E252-N254 VanDerWaalsContact C-N 3.34Å; E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 PolarHBondContact O-N 2.86Å
253E95.7Very high95.3Very high122 Ų122104.7 Ų104.757%0.5752%0.516SS*.Hα-helixtrans-63.7-38.8173.6-75.4-173.9166.300112T249 Q251 R256 L257T249-E253 WeakPolarHBondContact O-CB 3.41Å; T249-E253 WeakPolarHBondContact O-CG 3.38Å; T249-E253 PolarHBondContact O-N 3.02Å; Q251-E253 PolarHBondContact O-N 3.2Å; E253-R256 PolarHBondContact O-N 3.13Å; E253-L257 WeakPolarHBondContact O-CB 3.49Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.38Å; E253-L257 PolarHBondContact O-N 3.42Å
254N93.8Very high95.6Very high86 Ų86108.7 Ų108.746%0.4653%0.526SS..Hα-helixtrans-63.9-52.8177.3-160.6-57.2000111.2L250 Q251 E252 R256 L257 E258L250-N254 VanDerWaalsContact O-CB 3.22Å; L250-N254 WeakPolarHBondContact O-CB 3.45Å; L250-N254 PolarHBondContact O-N 3Å; Q251-N254 WeakPolarHBondContact O-CB 3.36Å; Q251-N254 PolarHBondContact O-N 3.4Å; E252-N254 VanDerWaalsContact C-N 3.34Å; N254-R256 PolarHBondContact O-N 2.92Å; N254-L257 CarbonylContact O-C 3.42Å; N254-L257 WeakPolarHBondContact O-CA 3.41Å; N254-L257 PolarHBondContact O-N 3.06Å; N254-E258 WeakPolarHBondContact O-CG 3.43Å; N254-E258 PolarHBondContact O-N 2.92Å
255F97.2Very high96Very high135 Ų135110 Ų11059%0.59253%0.527SS*.Hα-helixtrans-57.4-36.7176.1-68.3-52.7000112.6Q251 E258 A259Q251-F255 HydrophobicContact CB-CE2 4.29Å; Q251-F255 WeakPolarHBondContact O-CD2 3.23Å; Q251-F255 WeakPolarHBondContact O-CG 3.43Å; Q251-F255 PolarHBondContact O-N 3.38Å; F255-E258 PolarHBondContact O-N 3.46Å; F255-A259 WeakPolarHBondContact O-CB 3.39Å; F255-A259 PolarHBondContact O-N 3.27Å
256R97.9Very high96.3Very high203 Ų203108.5 Ų108.577%0.76652%0.522SS*.Hα-helixtrans-68.3-38175.5-174.3178.5179.2-177.20.1112.6E252 E253 N254 A260E252-R256 WeakPolarHBondContact O-CB 3.5Å; E252-R256 PolarHBondContact O-N 2.86Å; E253-R256 PolarHBondContact O-N 3.13Å; N254-R256 PolarHBondContact O-N 2.92Å; R256-A260 WeakPolarHBondContact O-CB 3.3Å; R256-A260 PolarHBondContact O-N 2.93Å
257L95.4Very high96.5Very high123 Ų123109 Ų10964%0.64452%0.524SS*.Hα-helixtrans-71.5-36.3175.1-73.2170.4000111.9E253 N254 K261E253-L257 WeakPolarHBondContact O-CB 3.49Å; E253-L257 VanDerWaalsContact O-CG 3.28Å; E253-L257 WeakPolarHBondContact O-CG 3.38Å; E253-L257 PolarHBondContact O-N 3.42Å; N254-L257 CarbonylContact O-C 3.42Å; N254-L257 WeakPolarHBondContact O-CA 3.41Å; N254-L257 PolarHBondContact O-N 3.06Å; L257-K261 VanDerWaalsContact O-CB 3.23Å; L257-K261 WeakPolarHBondContact O-CB 3.49Å; L257-K261 PolarHBondContact O-N 3.09Å
258E95.6Very high96.6Very high98 Ų98107.2 Ų107.246%0.45852%0.52SS..Hα-helixtrans-63.1-48.5172.6-71.9-175145.100111.2N254 F255 A260 K261 D262N254-E258 WeakPolarHBondContact O-CG 3.43Å; N254-E258 PolarHBondContact O-N 2.92Å; F255-E258 PolarHBondContact O-N 3.46Å; E258-A260 PolarHBondContact O-N 2.93Å; E258-K261 WeakPolarHBondContact O-CB 3.25Å; E258-K261 PolarHBondContact O-N 3.29Å; E258-K261 VanDerWaalsContact O-N 3.16Å; E258-D262 PolarHBondContact O-N 2.98Å
259A97.3Very high96.8Very high54 Ų54107.4 Ų107.445%0.44652%0.521SS..Hα-helixtrans-58.3-46.717500000112.2F255 K261 D262 D263F255-A259 WeakPolarHBondContact O-CB 3.39Å; F255-A259 PolarHBondContact O-N 3.27Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 3.27Å; A259-D262 PolarHBondContact O-N 3.03Å; A259-D263 PolarHBondContact O-N 3.17Å
260A97.4Very high96.8Very high35 Ų35108.1 Ų108.129%0.28952%0.52SS..Hα-helixtrans-63.8-35.9176.700000112.6R256 E258 D263 Y264R256-A260 WeakPolarHBondContact O-CB 3.3Å; R256-A260 PolarHBondContact O-N 2.93Å; E258-A260 PolarHBondContact O-N 2.93Å; A260-D263 PolarHBondContact O-N 3.48Å; A260-Y264 WeakPolarHBondContact O-CD2 3.46Å; A260-Y264 PolarHBondContact O-N 3.06Å
261K97.1Very high96.9Very high152 Ų152107.1 Ų107.166%0.66152%0.515SS*.Hα-helixtrans-64.8-41.4174.7174.8-166.9168.5-160.40111.4L257 E258 A259 Y264 R265L257-K261 VanDerWaalsContact O-CB 3.23Å; L257-K261 WeakPolarHBondContact O-CB 3.49Å; L257-K261 PolarHBondContact O-N 3.09Å; E258-K261 WeakPolarHBondContact O-CB 3.25Å; E258-K261 PolarHBondContact O-N 3.29Å; E258-K261 VanDerWaalsContact O-N 3.16Å; A259-K261 VanDerWaalsContact C-N 3.31Å; A259-K261 PolarHBondContact O-N 3.27Å; K261-Y264 PolarHBondContact O-N 3.44Å; K261-R265 WeakPolarHBondContact O-CB 3.47Å; K261-R265 PolarHBondContact O-N 3.48Å
262D97.4Very high97Very high71 Ų71108 Ų10838%0.3852%0.518SS..Hα-helixtrans-68.9-39.3175.3-88-42.7000112.3E258 A259 Y264 R265 I266E258-D262 PolarHBondContact O-N 2.98Å; A259-D262 PolarHBondContact O-N 3.03Å; D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.48Å; D262-R265 WeakPolarHBondContact O-CB 3.22Å; D262-R265 PolarHBondContact O-N 2.94Å; D262-R265 IonicContact OD1-CZ 2.64Å; D262-R265 IonicContact OD1-NE 3.36Å; D262-R265 PolarHBondContact OD1-NE 2.9Å; D262-R265 IonicContact OD1-NH2 3.94Å; D262-R265 PolarHBondContact OD1-NH2 3.31Å; D262-I266 WeakPolarHBondContact O-CG1 3.46Å; D262-I266 PolarHBondContact O-N 2.93Å
263D97.8Very high97.1Very high114 Ų114106.5 Ų106.561%0.6151%0.51SS*.Hα-helixtrans-58-45.3171.3-76-25.1000111.5A259 A260 I266 H267A259-D263 PolarHBondContact O-N 3.17Å; A260-D263 PolarHBondContact O-N 3.48Å; D263-I266 PolarHBondContact O-N 3.48Å; D263-H267 WeakPolarHBondContact O-CB 3.41Å; D263-H267 PolarHBondContact O-N 2.97Å
264Y97.1Very high97.2Very high167 Ų167104.7 Ų104.766%0.65550%0.502SS*.Hα-helixtrans-65.5-38175.1-76.4-56000112.5A260 K261 D262 H267 C268A260-Y264 WeakPolarHBondContact O-CD2 3.46Å; A260-Y264 PolarHBondContact O-N 3.06Å; K261-Y264 PolarHBondContact O-N 3.44Å; D262-Y264 VanDerWaalsContact C-N 3.34Å; D262-Y264 PolarHBondContact O-N 3.48Å; Y264-H267 PolarHBondContact O-N 3.32Å; Y264-C268 PolarHBondContact O-N 3.19Å; Y264-C268 PolarHBondContact O-SG 2.94Å; Y264-C268 VanDerWaalsContact O-SG 3.39Å
265R98.1Very high97.3Very high121 Ų121105.2 Ų105.246%0.45750%0.504SS..Hα-helixtrans-61.9-48.4176.1-178.7176.963.584-3.1111.2K261 D262 H267 C268 E269K261-R265 WeakPolarHBondContact O-CB 3.47Å; K261-R265 PolarHBondContact O-N 3.48Å; D262-R265 WeakPolarHBondContact O-CB 3.22Å; D262-R265 PolarHBondContact O-N 2.94Å; D262-R265 IonicContact OD1-CZ 2.64Å; D262-R265 IonicContact OD1-NE 3.36Å; D262-R265 PolarHBondContact OD1-NE 2.9Å; D262-R265 IonicContact OD1-NH2 3.94Å; D262-R265 PolarHBondContact OD1-NH2 3.31Å; R265-H267 VanDerWaalsContact C-N 3.28Å; R265-H267 PolarHBondContact O-N 2.86Å; R265-C268 WeakPolarHBondContact O-CB 3.14Å; R265-C268 PolarHBondContact O-N 3.17Å; R265-E269 VanDerWaalsContact CG-OE1 3.31Å; R265-E269 WeakPolarHBondContact CG-OE1 3.11Å; R265-E269 IonicContact CZ-OE1 2.71Å; R265-E269 IonicContact NH1-OE1 3.51Å; R265-E269 PolarHBondContact NH1-OE1 3.33Å; R265-E269 IonicContact NH1-OE2 2.81Å; R265-E269 WeakPolarHBondContact O-CG 3.42Å; R265-E269 PolarHBondContact O-N 2.87Å
266I98.1Very high97.4Very high94 Ų94103 Ų10348%0.48250%0.501SS..Hα-helixtrans-61-39.2176-66.5164.9000110.7D262 D263 E269 E270D262-I266 WeakPolarHBondContact O-CG1 3.46Å; D262-I266 PolarHBondContact O-N 2.93Å; D263-I266 PolarHBondContact O-N 3.48Å; I266-E269 PolarHBondContact O-N 3.2Å; I266-E270 WeakPolarHBondContact O-CB 3.4Å; I266-E270 PolarHBondContact O-N 3.44Å
267H97.7Very high97.4Very high106 Ų10698.6 Ų98.649%0.49149%0.489SS..Hα-helixtrans-66.3-38176.3-170.546.8000112.9D263 Y264 R265 L271D263-H267 WeakPolarHBondContact O-CB 3.41Å; D263-H267 PolarHBondContact O-N 2.97Å; Y264-H267 PolarHBondContact O-N 3.32Å; R265-H267 VanDerWaalsContact C-N 3.28Å; R265-H267 PolarHBondContact O-N 2.86Å; H267-L271 WeakPolarHBondContact O-CB 3.39Å; H267-L271 VanDerWaalsContact O-CG 3.31Å; H267-L271 WeakPolarHBondContact O-CG 3.25Å; H267-L271 PolarHBondContact O-N 3.27Å
268C96.3Very high97.5Very high67 Ų6798.6 Ų98.645%0.45349%0.489SS..Hα-helixtrans-63.8-47.4171.9-73.30000111.7Y264 R265 E270 L271 E272Y264-C268 PolarHBondContact O-N 3.19Å; Y264-C268 PolarHBondContact O-SG 2.94Å; Y264-C268 VanDerWaalsContact O-SG 3.39Å; R265-C268 WeakPolarHBondContact O-CB 3.14Å; R265-C268 PolarHBondContact O-N 3.17Å; C268-E270 VanDerWaalsContact C-N 3.32Å; C268-E270 PolarHBondContact O-N 3.24Å; C268-L271 PolarHBondContact O-N 2.94Å; C268-E272 WeakPolarHBondContact O-CB 3.35Å; C268-E272 WeakPolarHBondContact O-CG 3.39Å; C268-E272 PolarHBondContact O-N 2.7Å
269E97.6Very high97.6Very high93 Ų9399 Ų9944%0.43549%0.491SS..Hα-helixtrans-58.5-41.2177.9-71.4168.1-167.600111.9R265 I266 K273R265-E269 VanDerWaalsContact CG-OE1 3.31Å; R265-E269 WeakPolarHBondContact CG-OE1 3.11Å; R265-E269 IonicContact CZ-OE1 2.71Å; R265-E269 IonicContact NH1-OE1 3.51Å; R265-E269 PolarHBondContact NH1-OE1 3.33Å; R265-E269 IonicContact NH1-OE2 2.81Å; R265-E269 WeakPolarHBondContact O-CG 3.42Å; R265-E269 PolarHBondContact O-N 2.87Å; I266-E269 PolarHBondContact O-N 3.2Å; E269-K273 WeakPolarHBondContact O-CB 3.33Å; E269-K273 PolarHBondContact O-N 3.05Å
270E97.8Very high97.6Very high78 Ų78101.9 Ų101.936%0.36450%0.495SS..Hα-helixtrans-71.3-36.9176.1178.558.5-154.300112.7I266 C268 K273 Q274I266-E270 WeakPolarHBondContact O-CB 3.4Å; I266-E270 PolarHBondContact O-N 3.44Å; C268-E270 VanDerWaalsContact C-N 3.32Å; C268-E270 PolarHBondContact O-N 3.24Å; E270-K273 PolarHBondContact O-N 2.98Å; E270-K273 IonicContact OE2-NZ 3.84Å; E270-Q274 WeakPolarHBondContact O-CG 3.35Å; E270-Q274 PolarHBondContact O-N 2.78Å; E270-Q274 PolarHBondContact OE1-NE2 2.73Å
271L97.4Very high97.6Very high83 Ų83107.3 Ų107.344%0.43551%0.508SS..Hα-helixtrans-67.1-40.1173.5-77.2173000112.3H267 C268 K273 Q274 L275H267-L271 WeakPolarHBondContact O-CB 3.39Å; H267-L271 VanDerWaalsContact O-CG 3.31Å; H267-L271 WeakPolarHBondContact O-CG 3.25Å; H267-L271 PolarHBondContact O-N 3.27Å; C268-L271 PolarHBondContact O-N 2.94Å; L271-K273 VanDerWaalsContact C-N 3.35Å; L271-Q274 PolarHBondContact O-N 2.79Å; L271-L275 WeakPolarHBondContact O-CB 3.21Å; L271-L275 PolarHBondContact O-N 2.92Å
272E97.6Very high97.6Very high125 Ų125104.9 Ų104.958%0.58450%0.502SS*.Hα-helixtrans-61.4-44.4174.3-75.8174.8-176.700110.9C268 L275 V276C268-E272 WeakPolarHBondContact O-CB 3.35Å; C268-E272 WeakPolarHBondContact O-CG 3.39Å; C268-E272 PolarHBondContact O-N 2.7Å; E272-L275 WeakPolarHBondContact O-CB 3.45Å; E272-L275 PolarHBondContact O-N 2.97Å; E272-V276 WeakPolarHBondContact O-CG2 3.35Å; E272-V276 PolarHBondContact O-N 3.42Å
273K98.1Very high97.7Very high109 Ų109106.5 Ų106.547%0.47451%0.511SS..Hα-helixtrans-60.3-47174.4-176.7-173.9165.3-144.80112.3E269 E270 L271 L275 V276 E277E269-K273 WeakPolarHBondContact O-CB 3.33Å; E269-K273 PolarHBondContact O-N 3.05Å; E270-K273 PolarHBondContact O-N 2.98Å; E270-K273 IonicContact OE2-NZ 3.84Å; L271-K273 VanDerWaalsContact C-N 3.35Å; K273-L275 VanDerWaalsContact C-N 3.28Å; K273-L275 PolarHBondContact O-N 3.27Å; K273-V276 PolarHBondContact O-N 3.31Å; K273-E277 WeakPolarHBondContact CE-OE1 3.37Å; K273-E277 IonicContact NZ-OE1 2.73Å; K273-E277 WeakPolarHBondContact O-CG 3.44Å; K273-E277 PolarHBondContact O-N 2.84Å
274Q97.9Very high97.7Very high85 Ų85105 Ų10540%0.39750%0.5SS..Hα-helixtrans-62.5-34.7175.7-72.2174.724.600112.3E270 L271 E277 L278E270-Q274 WeakPolarHBondContact O-CG 3.35Å; E270-Q274 PolarHBondContact O-N 2.78Å; E270-Q274 PolarHBondContact OE1-NE2 2.73Å; L271-Q274 PolarHBondContact O-N 2.79Å; Q274-E277 PolarHBondContact O-N 3.42Å; Q274-L278 WeakPolarHBondContact O-CB 3.47Å; Q274-L278 VanDerWaalsContact O-CG 3.25Å; Q274-L278 WeakPolarHBondContact O-CG 3.25Å; Q274-L278 PolarHBondContact O-N 3.16Å
275L97.3Very high97.7Very high96 Ų96102.2 Ų102.250%0.50350%0.496SS..Hα-helixtrans-64.7-45.3175-161.2166.1000110.6L271 E272 K273 L278 Q279L271-L275 WeakPolarHBondContact O-CB 3.21Å; L271-L275 PolarHBondContact O-N 2.92Å; E272-L275 WeakPolarHBondContact O-CB 3.45Å; E272-L275 PolarHBondContact O-N 2.97Å; K273-L275 VanDerWaalsContact C-N 3.28Å; K273-L275 PolarHBondContact O-N 3.27Å; L275-L278 PolarHBondContact O-N 2.86Å; L275-Q279 VanDerWaalsContact CD2-CD 3.43Å; L275-Q279 HydrophobicContact CD2-CG 3.94Å; L275-Q279 WeakPolarHBondContact O-CB 3.22Å; L275-Q279 WeakPolarHBondContact O-CG 3.39Å; L275-Q279 PolarHBondContact O-N 2.85Å
276V98.2Very high97.7Very high90 Ų9099.3 Ų99.355%0.54549%0.492SS..Hα-helixtrans-64-42.7175.4173.10000111.9E272 K273 L278 Q279 H280E272-V276 WeakPolarHBondContact O-CG2 3.35Å; E272-V276 PolarHBondContact O-N 3.42Å; K273-V276 PolarHBondContact O-N 3.31Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 2.88Å; V276-Q279 PolarHBondContact O-N 3.41Å; V276-H280 PolarHBondContact O-N 3.47Å
277E98Very high97.7Very high109 Ų10998.3 Ų98.351%0.50949%0.493SS..Hα-helixtrans-61.7-40.6175.1-73.3178.9-169.400111.9K273 Q274 R281K273-E277 WeakPolarHBondContact CE-OE1 3.37Å; K273-E277 IonicContact NZ-OE1 2.73Å; K273-E277 WeakPolarHBondContact O-CG 3.44Å; K273-E277 PolarHBondContact O-N 2.84Å; Q274-E277 PolarHBondContact O-N 3.42Å; E277-R281 WeakPolarHBondContact O-CB 3.41Å; E277-R281 PolarHBondContact O-N 3.21Å
278L97.4Very high97.7Very high123 Ų12398 Ų9864%0.64450%0.495SS*.Hα-helixtrans-69.9-35.4175.4-74.3172.3000113Q274 L275 V276 N282Q274-L278 WeakPolarHBondContact O-CB 3.47Å; Q274-L278 VanDerWaalsContact O-CG 3.25Å; Q274-L278 WeakPolarHBondContact O-CG 3.25Å; Q274-L278 PolarHBondContact O-N 3.16Å; L275-L278 PolarHBondContact O-N 2.86Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 2.88Å; L278-N282 WeakPolarHBondContact O-CB 3.34Å; L278-N282 PolarHBondContact O-N 2.87Å
279Q98Very high97.8Very high106 Ų10696.8 Ų96.850%0.49549%0.49SS..Hα-helixtrans-63.4-52.1172.4-80.6175.2-23.900110.8L275 V276 R281 N282 D283L275-Q279 VanDerWaalsContact CD2-CD 3.43Å; L275-Q279 HydrophobicContact CD2-CG 3.94Å; L275-Q279 WeakPolarHBondContact O-CB 3.22Å; L275-Q279 WeakPolarHBondContact O-CG 3.39Å; L275-Q279 PolarHBondContact O-N 2.85Å; V276-Q279 PolarHBondContact O-N 3.41Å; Q279-R281 VanDerWaalsContact C-N 3.26Å; Q279-R281 PolarHBondContact O-N 2.9Å; Q279-N282 WeakPolarHBondContact O-CA 3.4Å; Q279-N282 VanDerWaalsContact O-CB 3.27Å; Q279-N282 WeakPolarHBondContact O-CB 3.46Å; Q279-N282 PolarHBondContact O-N 3.23Å; Q279-D283 PolarHBondContact O-N 2.87Å
280H98.1Very high97.8Very high116 Ų11697.7 Ų97.754%0.53749%0.494SS..Hα-helixtrans-57.1-42.4178.6-173.443.8000111.7V276 N282 D283 E284V276-H280 PolarHBondContact O-N 3.47Å; H280-N282 VanDerWaalsContact C-N 3.3Å; H280-N282 PolarHBondContact O-N 2.89Å; H280-D283 PolarHBondContact O-N 3.29Å; H280-E284 IonicContact NE2-OE1 3.58Å; H280-E284 WeakPolarHBondContact O-CG 3.46Å; H280-E284 PolarHBondContact O-N 3.18Å
281R97.9Very high97.8Very high149 Ų14999.3 Ų99.356%0.56250%0.501SS*.Hα-helixtrans-67.1-27.3175.6-168.3161.6-166.772.6-3.8113.6E277 Q279 E284 L285E277-R281 WeakPolarHBondContact O-CB 3.41Å; E277-R281 PolarHBondContact O-N 3.21Å; Q279-R281 VanDerWaalsContact C-N 3.26Å; Q279-R281 PolarHBondContact O-N 2.9Å; R281-E284 IonicContact NH1-OE2 3.67Å; R281-L285 WeakPolarHBondContact O-CB 3.39Å; R281-L285 WeakPolarHBondContact O-CD1 3.41Å; R281-L285 WeakPolarHBondContact O-CG 3.39Å; R281-L285 PolarHBondContact O-N 2.89Å
282N96.9Very high97.8Very high100 Ų10099 Ų9954%0.53551%0.506SS..Hα-helixtrans-72.1-42.3172.2-160-66.9000111.1L278 Q279 H280 L285 T286L278-N282 WeakPolarHBondContact O-CB 3.34Å; L278-N282 PolarHBondContact O-N 2.87Å; Q279-N282 WeakPolarHBondContact O-CA 3.4Å; Q279-N282 VanDerWaalsContact O-CB 3.27Å; Q279-N282 WeakPolarHBondContact O-CB 3.46Å; Q279-N282 PolarHBondContact O-N 3.23Å; H280-N282 VanDerWaalsContact C-N 3.3Å; H280-N282 PolarHBondContact O-N 2.89Å; N282-L285 PolarHBondContact O-N 3.07Å; N282-T286 WeakPolarHBondContact O-CB 3.34Å; N282-T286 PolarHBondContact O-N 3.4Å; N282-T286 PolarHBondContact O-OG1 3.25Å; N282-T286 PolarHBondContact OD1-OG1 2.93Å
283D98Very high97.8Very high105 Ų105100.6 Ų100.656%0.56151%0.507SS*.Hα-helixtrans-63.8-43.6176.3-62.4-26.8000111.2Q279 H280 L285 T286 S287Q279-D283 PolarHBondContact O-N 2.87Å; H280-D283 PolarHBondContact O-N 3.29Å; D283-L285 PolarHBondContact O-N 2.96Å; D283-T286 PolarHBondContact O-N 2.99Å; D283-S287 WeakPolarHBondContact O-CB 3.43Å; D283-S287 PolarHBondContact O-N 3.48Å
284E98.2Very high97.8Very high82 Ų8297.8 Ų97.838%0.38350%0.504SS..Hα-helixtrans-55.4-50.5171.5-74.6-177.5150.900111.9H280 R281 T286 S287 L288H280-E284 IonicContact NE2-OE1 3.58Å; H280-E284 WeakPolarHBondContact O-CG 3.46Å; H280-E284 PolarHBondContact O-N 3.18Å; R281-E284 IonicContact NH1-OE2 3.67Å; E284-T286 VanDerWaalsContact C-N 3.3Å; E284-T286 PolarHBondContact O-N 3.45Å; E284-S287 PolarHBondContact O-N 2.81Å; E284-L288 WeakPolarHBondContact O-CB 3.38Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.39Å
285L97.5Very high97.7Very high109 Ų10997.8 Ų97.857%0.57151%0.507SS*.Hα-helixtrans-66.1-33.1179.8-74.2171000112.4R281 N282 D283 A289R281-L285 WeakPolarHBondContact O-CB 3.39Å; R281-L285 WeakPolarHBondContact O-CD1 3.41Å; R281-L285 WeakPolarHBondContact O-CG 3.39Å; R281-L285 PolarHBondContact O-N 2.89Å; N282-L285 PolarHBondContact O-N 3.07Å; D283-L285 PolarHBondContact O-N 2.96Å; L285-A289 WeakPolarHBondContact O-CB 3.26Å; L285-A289 PolarHBondContact O-N 3.44Å
286T97.4Very high97.8Very high61 Ų6199.2 Ų99.237%0.37451%0.509SS..Hα-helixtrans-70.1-46176-610000110.6N282 D283 E284 L288 A289 E290N282-T286 WeakPolarHBondContact O-CB 3.34Å; N282-T286 PolarHBondContact O-N 3.4Å; N282-T286 PolarHBondContact O-OG1 3.25Å; N282-T286 PolarHBondContact OD1-OG1 2.93Å; D283-T286 PolarHBondContact O-N 2.99Å; E284-T286 VanDerWaalsContact C-N 3.3Å; E284-T286 PolarHBondContact O-N 3.45Å; T286-L288 PolarHBondContact O-N 2.97Å; T286-A289 WeakPolarHBondContact O-CB 3.41Å; T286-A289 PolarHBondContact O-N 3.42Å; T286-A289 VanDerWaalsContact O-N 3.1Å; T286-E290 WeakPolarHBondContact O-CG 3.36Å; T286-E290 PolarHBondContact O-N 2.86Å
287S98.1Very high97.8Very high73 Ų73100 Ų10051%0.5151%0.509SS..Hα-helixtrans-58.1-46.1174-176.10000112D283 E284 A289 E290 E291D283-S287 WeakPolarHBondContact O-CB 3.43Å; D283-S287 PolarHBondContact O-N 3.48Å; E284-S287 PolarHBondContact O-N 2.81Å; S287-A289 VanDerWaalsContact C-N 3.31Å; S287-A289 PolarHBondContact O-N 2.98Å; S287-E290 PolarHBondContact O-N 2.88Å; S287-E290 VanDerWaalsContact O-N 3.15Å; S287-E291 PolarHBondContact O-N 3.43Å
288L98.1Very high97.8Very high100 Ų100100.5 Ų100.552%0.52451%0.512SS..Hα-helixtrans-63.4-33.9174.6-73.3168.2000112.9E284 T286 S292E284-L288 WeakPolarHBondContact O-CB 3.38Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.39Å; T286-L288 PolarHBondContact O-N 2.97Å; L288-S292 WeakPolarHBondContact O-CB 3.37Å; L288-S292 PolarHBondContact O-N 3.43Å
289A97.3Very high97.8Very high41 Ų4199.1 Ų99.134%0.33951%0.505SS..Hα-helixtrans-71.5-32174.800000112.4L285 T286 S287 R293L285-A289 WeakPolarHBondContact O-CB 3.26Å; L285-A289 PolarHBondContact O-N 3.44Å; T286-A289 WeakPolarHBondContact O-CB 3.41Å; T286-A289 PolarHBondContact O-N 3.42Å; T286-A289 VanDerWaalsContact O-N 3.1Å; S287-A289 VanDerWaalsContact C-N 3.31Å; S287-A289 PolarHBondContact O-N 2.98Å; A289-R293 VanDerWaalsContact O-CG 3.3Å; A289-R293 WeakPolarHBondContact O-CG 3.44Å; A289-R293 PolarHBondContact O-N 2.95Å; A289-R293 VanDerWaalsContact O-N 3.13Å
290E97.7Very high97.8Very high112 Ų11296.7 Ų96.752%0.52350%0.495SS..Hα-helixtrans-72.5-44.4173.5-71.5179.4174.300111.8T286 S287 S292 R293 A294T286-E290 WeakPolarHBondContact O-CG 3.36Å; T286-E290 PolarHBondContact O-N 2.86Å; S287-E290 PolarHBondContact O-N 2.88Å; S287-E290 VanDerWaalsContact O-N 3.15Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.01Å; E290-R293 WeakPolarHBondContact O-CB 3.46Å; E290-R293 PolarHBondContact O-N 3.3Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E290-A294 PolarHBondContact O-N 3.4Å
291E97.9Very high97.8Very high111 Ų11195.5 Ų95.552%0.51950%0.496SS..Hα-helixtrans-58.6-44.7172-173.1-177.8-174.200111.2S287 R293 A294 L295S287-E291 PolarHBondContact O-N 3.43Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.99Å; E291-A294 PolarHBondContact O-N 2.94Å; E291-L295 HydrophobicContact CG-CD1 4.1Å; E291-L295 HydrophobicContact CG-CG 4.43Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 WeakPolarHBondContact O-CG 3.27Å; E291-L295 PolarHBondContact O-N 3.37Å
292S97.8Very high97.7Very high78 Ų7893.7 Ų93.755%0.54550%0.497SS..Hα-helixtrans-60.9-34.7175.7-174.40000113.1L288 E290 K296L288-S292 WeakPolarHBondContact O-CB 3.37Å; L288-S292 PolarHBondContact O-N 3.43Å; E290-S292 VanDerWaalsContact C-N 3.33Å; E290-S292 PolarHBondContact O-N 3.01Å; S292-K296 WeakPolarHBondContact O-CB 3.21Å; S292-K296 PolarHBondContact O-N 3.5Å
293R97.8Very high97.7Very high157 Ų15796 Ų9659%0.59250%0.498SS*.Hα-helixtrans-69.7-47.1171.8-73168.5-172.5152.83.7111.5A289 E290 E291 L295 K296 D297A289-R293 VanDerWaalsContact O-CG 3.3Å; A289-R293 WeakPolarHBondContact O-CG 3.44Å; A289-R293 PolarHBondContact O-N 2.95Å; A289-R293 VanDerWaalsContact O-N 3.13Å; E290-R293 WeakPolarHBondContact O-CB 3.46Å; E290-R293 PolarHBondContact O-N 3.3Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E291-R293 VanDerWaalsContact C-N 3.29Å; E291-R293 PolarHBondContact O-N 2.99Å; R293-L295 PolarHBondContact O-N 2.87Å; R293-K296 WeakPolarHBondContact O-CB 3.31Å; R293-K296 PolarHBondContact O-N 2.87Å; R293-K296 VanDerWaalsContact O-N 3.09Å; R293-D297 PolarHBondContact O-N 2.88Å
294A97.4Very high97.7Very high50 Ų5096.3 Ų96.341%0.41350%0.5SS..Hα-helixtrans-59-46.9178.800000111.9E290 E291 K296 D297 E298E290-A294 PolarHBondContact O-N 3.4Å; E291-A294 PolarHBondContact O-N 2.94Å; A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 3.41Å; A294-D297 PolarHBondContact O-N 2.9Å; A294-E298 WeakPolarHBondContact O-CG 3.47Å; A294-E298 PolarHBondContact O-N 3Å
295L97.4Very high97.6Very high86 Ų8694.9 Ų94.945%0.4550%0.498SS..Hα-helixtrans-61.3-34174.8-70.6172.4000112.5E291 R293 L299E291-L295 HydrophobicContact CG-CD1 4.1Å; E291-L295 HydrophobicContact CG-CG 4.43Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 WeakPolarHBondContact O-CG 3.27Å; E291-L295 PolarHBondContact O-N 3.37Å; R293-L295 PolarHBondContact O-N 2.87Å; L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.39Å; L295-L299 PolarHBondContact O-N 3.01Å
296K98.1Very high97.6Very high126 Ų12693 Ų9355%0.54849%0.494SS..Hα-helixtrans-69-43.2174.7-175.9-176.1173.4-170.10111.7S292 R293 A294 E298 L299 D300S292-K296 WeakPolarHBondContact O-CB 3.21Å; S292-K296 PolarHBondContact O-N 3.5Å; R293-K296 WeakPolarHBondContact O-CB 3.31Å; R293-K296 PolarHBondContact O-N 2.87Å; R293-K296 VanDerWaalsContact O-N 3.09Å; A294-K296 VanDerWaalsContact C-N 3.27Å; A294-K296 PolarHBondContact O-N 3.41Å; K296-E298 VanDerWaalsContact C-N 3.33Å; K296-L299 WeakPolarHBondContact O-CB 3.5Å; K296-L299 PolarHBondContact O-N 3.33Å; K296-D300 PolarHBondContact O-N 2.71Å
297D98Very high97.6Very high105 Ų10594.8 Ų94.856%0.56150%0.501SS*.Hα-helixtrans-64-40.3176.8-67.6-18.5000110.7R293 A294 D300 V301R293-D297 PolarHBondContact O-N 2.88Å; A294-D297 PolarHBondContact O-N 2.9Å; D297-D300 PolarHBondContact O-N 3.29Å; D297-V301 WeakPolarHBondContact O-CG2 3.41Å; D297-V301 PolarHBondContact O-N 2.97Å
298E97.9Very high97.5Very high120 Ų12099.1 Ų99.156%0.56151%0.506SS*.Hα-helixtrans-60.2-45.1171.1-73.9-173.7-178.600112.4A294 K296 D300 V301 L302A294-E298 WeakPolarHBondContact O-CG 3.47Å; A294-E298 PolarHBondContact O-N 3Å; K296-E298 VanDerWaalsContact C-N 3.33Å; E298-D300 VanDerWaalsContact C-N 3.3Å; E298-D300 PolarHBondContact O-N 3.45Å; E298-V301 PolarHBondContact O-N 2.87Å; E298-L302 WeakPolarHBondContact O-CB 3.22Å; E298-L302 VanDerWaalsContact O-CG 3.31Å; E298-L302 WeakPolarHBondContact O-CG 3.34Å; E298-L302 PolarHBondContact O-N 3.06Å
299L97.6Very high97.5Very high95 Ų9597.8 Ų97.850%0.49750%0.503SS..Hα-helixtrans-61.2-37.4175.4-76.8171.6000112.4L295 K296 L302 R303L295-L299 WeakPolarHBondContact O-CB 3.3Å; L295-L299 VanDerWaalsContact O-CG 3.27Å; L295-L299 WeakPolarHBondContact O-CG 3.39Å; L295-L299 PolarHBondContact O-N 3.01Å; K296-L299 WeakPolarHBondContact O-CB 3.5Å; K296-L299 PolarHBondContact O-N 3.33Å; L299-L302 PolarHBondContact O-N 2.91Å; L299-R303 WeakPolarHBondContact O-CG 3.35Å; L299-R303 PolarHBondContact O-N 3.36Å
300D98Very high97.5Very high55 Ų5599.7 Ų99.729%0.29451%0.51SS..Hα-helixtrans-73.3-33.3176.8-75.1-22.6000111.9K296 D297 E298 R303 N304K296-D300 PolarHBondContact O-N 2.71Å; D297-D300 PolarHBondContact O-N 3.29Å; E298-D300 VanDerWaalsContact C-N 3.3Å; E298-D300 PolarHBondContact O-N 3.45Å; D300-R303 IonicContact OD1-CZ 2.63Å; D300-R303 IonicContact OD1-NH1 3.8Å; D300-R303 PolarHBondContact OD1-NH1 3.01Å; D300-N304 PolarHBondContact O-N 2.98Å; D300-N304 VanDerWaalsContact O-N 3.09Å; D300-N304 PolarHBondContact O-ND2 3.34Å
301V97.8Very high97.5Very high91 Ų91100.1 Ų100.155%0.55251%0.514SS*.Hα-helixtrans-63.6-44.5167.4172.20000111.1D297 E298 R303 N304 C305D297-V301 WeakPolarHBondContact O-CG2 3.41Å; D297-V301 PolarHBondContact O-N 2.97Å; E298-V301 PolarHBondContact O-N 2.87Å; V301-R303 PolarHBondContact O-N 2.96Å; V301-N304 PolarHBondContact O-N 3.3Å; V301-C305 PolarHBondContact O-N 3.31Å
302L96.3Very high97.5Very high111 Ų11199.5 Ų99.558%0.58151%0.514SS*.Hα-helixtrans-64.3-38.1178.1-72172.2000112.3E298 L299 C305 S306E298-L302 WeakPolarHBondContact O-CB 3.22Å; E298-L302 VanDerWaalsContact O-CG 3.31Å; E298-L302 WeakPolarHBondContact O-CG 3.34Å; E298-L302 PolarHBondContact O-N 3.06Å; L299-L302 PolarHBondContact O-N 2.91Å; L302-C305 PolarHBondContact O-N 3.46Å; L302-S306 WeakPolarHBondContact O-CB 3.29Å; L302-S306 PolarHBondContact O-N 3.42Å
303R97.8Very high97.4Very high148 Ų148101.5 Ų101.556%0.55852%0.515SS*.Hα-helixtrans-59.3-51170.7-78.2170.8176.7145.91.9111.9L299 D300 V301 C305 S306 D307L299-R303 WeakPolarHBondContact O-CG 3.35Å; L299-R303 PolarHBondContact O-N 3.36Å; D300-R303 IonicContact OD1-CZ 2.63Å; D300-R303 IonicContact OD1-NH1 3.8Å; D300-R303 PolarHBondContact OD1-NH1 3.01Å; V301-R303 PolarHBondContact O-N 2.96Å; R303-C305 VanDerWaalsContact C-N 3.25Å; R303-C305 PolarHBondContact O-N 3Å; R303-S306 WeakPolarHBondContact O-CA 3.3Å; R303-S306 WeakPolarHBondContact O-CB 3.27Å; R303-S306 PolarHBondContact O-N 3.02Å; R303-D307 PolarHBondContact O-N 2.98Å
304N96.8Very high97.4Very high111 Ų11196.7 Ų96.759%0.59451%0.509SS*.Hα-helixtrans-59.7-36.7177.2-77.4-64.5000112.3D300 V301 R308D300-N304 PolarHBondContact O-N 2.98Å; D300-N304 VanDerWaalsContact O-N 3.09Å; D300-N304 PolarHBondContact O-ND2 3.34Å; V301-N304 PolarHBondContact O-N 3.3Å; N304-R308 WeakPolarHBondContact O-CB 3.38Å; N304-R308 PolarHBondContact O-N 2.99Å; N304-R308 VanDerWaalsContact O-N 3.12Å
305C96.4Very high97.4Very high52 Ų5296.2 Ų96.235%0.35150%0.502SS..Hα-helixtrans-66.1-43.6172.4-790000112.3V301 L302 R303 R308 V309V301-C305 PolarHBondContact O-N 3.31Å; L302-C305 PolarHBondContact O-N 3.46Å; R303-C305 VanDerWaalsContact C-N 3.25Å; R303-C305 PolarHBondContact O-N 3Å; C305-R308 PolarHBondContact O-N 3.32Å; C305-V309 WeakPolarHBondContact O-CG2 3.4Å; C305-V309 PolarHBondContact O-N 3.39Å
306S97.1Very high97.4Very high69 Ų6995.7 Ų95.748%0.48350%0.502SS..Hα-helixtrans-60.1-49.1175.3-178.10000112L302 R303 R308 V309 V310L302-S306 WeakPolarHBondContact O-CB 3.29Å; L302-S306 PolarHBondContact O-N 3.42Å; R303-S306 WeakPolarHBondContact O-CA 3.3Å; R303-S306 WeakPolarHBondContact O-CB 3.27Å; R303-S306 PolarHBondContact O-N 3.02Å; S306-R308 VanDerWaalsContact C-N 3.27Å; S306-R308 PolarHBondContact O-N 3.46Å; S306-V309 WeakPolarHBondContact O-CA 3.48Å; S306-V309 WeakPolarHBondContact O-CB 3.46Å; S306-V309 PolarHBondContact O-N 3.36Å; S306-V310 PolarHBondContact O-N 3.42Å
307D97.4Very high97.4Very high99 Ų9993.1 Ų93.153%0.52949%0.492SS..Hα-helixtrans-60.7-38.6178.3-69.8-17.9000111.4R303 V310 I311R303-D307 PolarHBondContact O-N 2.98Å; D307-V310 PolarHBondContact O-N 2.97Å; D307-I311 WeakPolarHBondContact O-CG1 3.28Å; D307-I311 PolarHBondContact O-N 3.13Å
308R97.9Very high97.3Very high164 Ų16490.7 Ų90.762%0.61948%0.481SS*.Hα-helixtrans-66.4-35.7173.7-174.5163.561.6161.7-2.2112.6N304 C305 S306 I311 L312N304-R308 WeakPolarHBondContact O-CB 3.38Å; N304-R308 PolarHBondContact O-N 2.99Å; N304-R308 VanDerWaalsContact O-N 3.12Å; C305-R308 PolarHBondContact O-N 3.32Å; S306-R308 VanDerWaalsContact C-N 3.27Å; S306-R308 PolarHBondContact O-N 3.46Å; R308-I311 PolarHBondContact O-N 2.99Å; R308-L312 HydrophobicContact CG-CD1 4.25Å; R308-L312 WeakPolarHBondContact O-CB 3.42Å; R308-L312 VanDerWaalsContact O-CG 3.27Å; R308-L312 WeakPolarHBondContact O-CG 3.41Å; R308-L312 PolarHBondContact O-N 2.95Å
309V97.6Very high97.3Very high73 Ų7392 Ų9244%0.44248%0.482SS..Hα-helixtrans-63-47.5172.1169.40000110.5C305 S306 I311 L312 E313C305-V309 WeakPolarHBondContact O-CG2 3.4Å; C305-V309 PolarHBondContact O-N 3.39Å; S306-V309 WeakPolarHBondContact O-CA 3.48Å; S306-V309 WeakPolarHBondContact O-CB 3.46Å; S306-V309 PolarHBondContact O-N 3.36Å; V309-I311 VanDerWaalsContact C-N 3.31Å; V309-I311 PolarHBondContact O-N 2.89Å; V309-L312 CarbonylContact O-C 3.57Å; V309-L312 WeakPolarHBondContact O-CA 3.42Å; V309-L312 WeakPolarHBondContact O-CB 3.27Å; V309-L312 PolarHBondContact O-N 3.49Å; V309-E313 HydrophobicContact CG1-CG 4.13Å; V309-E313 WeakPolarHBondContact O-CG 3.44Å; V309-E313 PolarHBondContact O-N 2.85Å
310V97.8Very high97.3Very high81 Ų8192.5 Ų92.549%0.49148%0.48SS..Hα-helixtrans-57.7-41.8177.6174.50000111.9S306 D307 E313 A314S306-V310 PolarHBondContact O-N 3.42Å; D307-V310 PolarHBondContact O-N 2.97Å; V310-E313 PolarHBondContact O-N 3.46Å; V310-A314 WeakPolarHBondContact O-CB 3.27Å; V310-A314 PolarHBondContact O-N 2.83Å
311I97.6Very high97.2Very high120 Ų12095.9 Ų95.962%0.61549%0.489SS*.Hα-helixtrans-64.1-41.4175.1-66.7165.8000111.4D307 R308 V309 S315D307-I311 WeakPolarHBondContact O-CG1 3.28Å; D307-I311 PolarHBondContact O-N 3.13Å; R308-I311 PolarHBondContact O-N 2.99Å; V309-I311 VanDerWaalsContact C-N 3.31Å; V309-I311 PolarHBondContact O-N 2.89Å; I311-S315 WeakPolarHBondContact O-CB 3.36Å; I311-S315 PolarHBondContact O-N 3.39Å
312L96.4Very high97.1Very high99 Ų9997.1 Ų97.152%0.51849%0.487SS..Hα-helixtrans-66.9-44177.8-73.2169.6000111.7R308 V309 S315 V316R308-L312 HydrophobicContact CG-CD1 4.25Å; R308-L312 WeakPolarHBondContact O-CB 3.42Å; R308-L312 VanDerWaalsContact O-CG 3.27Å; R308-L312 WeakPolarHBondContact O-CG 3.41Å; R308-L312 PolarHBondContact O-N 2.95Å; V309-L312 CarbonylContact O-C 3.57Å; V309-L312 WeakPolarHBondContact O-CA 3.42Å; V309-L312 WeakPolarHBondContact O-CB 3.27Å; V309-L312 PolarHBondContact O-N 3.49Å; L312-S315 WeakPolarHBondContact O-CB 3.5Å; L312-S315 PolarHBondContact O-N 2.81Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L312-S315 PolarHBondContact O-OG 3.41Å; L312-V316 WeakPolarHBondContact O-CG2 3.29Å; L312-V316 PolarHBondContact O-N 2.77Å
313E96.9Very high97.1Very high120 Ų12097.7 Ų97.756%0.56149%0.49SS*.Hα-helixtrans-58.9-47.5174.6-72.5179.8158.700111.6V309 V310 S315 V316 E317V309-E313 HydrophobicContact CG1-CG 4.13Å; V309-E313 WeakPolarHBondContact O-CG 3.44Å; V309-E313 PolarHBondContact O-N 2.85Å; V310-E313 PolarHBondContact O-N 3.46Å; E313-S315 VanDerWaalsContact C-N 3.26Å; E313-S315 PolarHBondContact O-N 2.82Å; E313-V316 PolarHBondContact O-N 3.39Å; E313-E317 WeakPolarHBondContact O-CB 3.42Å; E313-E317 PolarHBondContact O-N 3.32Å
314A97.4Very high97Very high56 Ų5695.4 Ų95.446%0.46349%0.486SS..Hα-helixtrans-58.5-39.9174.200000111.6V310 E317 T318V310-A314 WeakPolarHBondContact O-CB 3.27Å; V310-A314 PolarHBondContact O-N 2.83Å; A314-E317 PolarHBondContact O-N 3.48Å; A314-T318 WeakPolarHBondContact O-CG2 3.42Å; A314-T318 PolarHBondContact O-N 3.34Å
315S97.3Very high97Very high39 Ų3995.2 Ų95.227%0.27349%0.485SS..Hα-helixtrans-65.1-45.4176.185.90000112I311 L312 E313 E317 T318 Y319I311-S315 WeakPolarHBondContact O-CB 3.36Å; I311-S315 PolarHBondContact O-N 3.39Å; L312-S315 WeakPolarHBondContact O-CB 3.5Å; L312-S315 PolarHBondContact O-N 2.81Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L312-S315 PolarHBondContact O-OG 3.41Å; E313-S315 VanDerWaalsContact C-N 3.26Å; E313-S315 PolarHBondContact O-N 2.82Å; S315-E317 VanDerWaalsContact C-N 3.28Å; S315-E317 PolarHBondContact O-N 2.8Å; S315-T318 PolarHBondContact O-N 3.3Å; S315-T318 VanDerWaalsContact O-N 3.08Å; S315-T318 PolarHBondContact O-OG1 2.92Å; S315-Y319 WeakPolarHBondContact O-CD2 3.44Å; S315-Y319 PolarHBondContact O-N 2.79Å
316V97.6Very high97Very high75 Ų7597.6 Ų97.646%0.45549%0.493SS..Hα-helixtrans-58.4-42.2175.3167.70000110.3L312 E313 T318 Y319 K320L312-V316 WeakPolarHBondContact O-CG2 3.29Å; L312-V316 PolarHBondContact O-N 2.77Å; E313-V316 PolarHBondContact O-N 3.39Å; V316-T318 VanDerWaalsContact C-N 3.31Å; V316-T318 PolarHBondContact O-N 2.73Å; V316-Y319 PolarHBondContact O-N 3.4Å; V316-K320 PolarHBondContact O-N 3.43Å
317E97.3Very high96.9Very high73 Ų7397.5 Ų97.534%0.34149%0.492SS..Hα-helixtrans-67.7-28.8178-162.252.1-132.900113E313 A314 S315 K320 R321E313-E317 WeakPolarHBondContact O-CB 3.42Å; E313-E317 PolarHBondContact O-N 3.32Å; A314-E317 PolarHBondContact O-N 3.48Å; S315-E317 VanDerWaalsContact C-N 3.28Å; S315-E317 PolarHBondContact O-N 2.8Å; E317-K320 WeakPolarHBondContact OE2-CD 3.48Å; E317-K320 IonicContact OE2-NZ 3.82Å; E317-K320 PolarHBondContact OE2-NZ 3.17Å; E317-R321 PolarHBondContact O-N 3.16Å; E317-R321 PolarHBondContact O-NE 2.75Å
318T97.2Very high96.9Very high54 Ų5496.3 Ų96.333%0.33149%0.486SS..Hα-helixtrans-72.9-32.4167.968.30000112.9A314 S315 V316 K322A314-T318 WeakPolarHBondContact O-CG2 3.42Å; A314-T318 PolarHBondContact O-N 3.34Å; S315-T318 PolarHBondContact O-N 3.3Å; S315-T318 VanDerWaalsContact O-N 3.08Å; S315-T318 PolarHBondContact O-OG1 2.92Å; V316-T318 VanDerWaalsContact C-N 3.31Å; V316-T318 PolarHBondContact O-N 2.73Å; T318-K322 WeakPolarHBondContact O-CG 3.3Å; T318-K322 PolarHBondContact O-N 3.16Å; T318-K322 VanDerWaalsContact O-N 3.12Å
319Y96.4Very high96.8Very high147 Ų14793 Ų9358%0.57648%0.48SS*.Hα-helixtrans-73.3-37.5176.9-72.8-61.8000112.4S315 V316 K322 L323S315-Y319 WeakPolarHBondContact O-CD2 3.44Å; S315-Y319 PolarHBondContact O-N 2.79Å; V316-Y319 PolarHBondContact O-N 3.4Å; Y319-K322 HydrophobicContact CD1-CD 4.21Å; Y319-K322 PolarHBondContact O-N 2.85Å; Y319-L323 WeakPolarHBondContact O-CB 3.49Å; Y319-L323 PolarHBondContact O-N 3.33Å
320K97.5Very high96.8Very high105 Ų10596.7 Ų96.746%0.45749%0.49SS..Hα-helixtrans-56.5-53.8170.8-71.8-178.5-164.7157.70111.5V316 E317 K322 L323 E324V316-K320 PolarHBondContact O-N 3.43Å; E317-K320 WeakPolarHBondContact OE2-CD 3.48Å; E317-K320 IonicContact OE2-NZ 3.82Å; E317-K320 PolarHBondContact OE2-NZ 3.17Å; K320-K322 VanDerWaalsContact C-N 3.29Å; K320-K322 PolarHBondContact O-N 3.47Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 WeakPolarHBondContact O-CA 3.45Å; K320-L323 WeakPolarHBondContact O-CB 3.3Å; K320-L323 PolarHBondContact O-N 3.03Å; K320-E324 WeakPolarHBondContact O-CG 3.43Å; K320-E324 PolarHBondContact O-N 3.05Å
321R96.9Very high96.7Very high126 Ų126101 Ų10148%0.47550%0.498SS..Hα-helixtrans-57.8-36.5176.3-78.2176.8-75.3155.9-9.8113.7E317 L323 E324 N325E317-R321 PolarHBondContact O-N 3.16Å; E317-R321 PolarHBondContact O-NE 2.75Å; R321-L323 VanDerWaalsContact C-N 3.33Å; R321-E324 WeakPolarHBondContact CA-OE2 3.4Å; R321-N325 WeakPolarHBondContact O-CB 3.48Å; R321-N325 PolarHBondContact O-N 3.03Å; R321-N325 PolarHBondContact O-ND2 3.45Å
322K96.4Very high96.7Very high117 Ų117100.7 Ų100.751%0.50949%0.494SS..Hα-helixtrans-65.1-36.6171.9-75.3171.1-178.91740112.3T318 Y319 K320 L326T318-K322 WeakPolarHBondContact O-CG 3.3Å; T318-K322 PolarHBondContact O-N 3.16Å; T318-K322 VanDerWaalsContact O-N 3.12Å; Y319-K322 HydrophobicContact CD1-CD 4.21Å; Y319-K322 PolarHBondContact O-N 2.85Å; K320-K322 VanDerWaalsContact C-N 3.29Å; K320-K322 PolarHBondContact O-N 3.47Å; K322-L326 WeakPolarHBondContact O-CG 3.47Å; K322-L326 PolarHBondContact O-N 3.4Å
323L95.4Very high96.7Very high123 Ų12399.1 Ų99.164%0.64449%0.488SS*.Hα-helixtrans-74.8-36.3179.9-162.5141.1000112Y319 K320 R321 L326 S327Y319-L323 WeakPolarHBondContact O-CB 3.49Å; Y319-L323 PolarHBondContact O-N 3.33Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 WeakPolarHBondContact O-CA 3.45Å; K320-L323 WeakPolarHBondContact O-CB 3.3Å; K320-L323 PolarHBondContact O-N 3.03Å; R321-L323 VanDerWaalsContact C-N 3.33Å; L323-L326 PolarHBondContact O-N 2.85Å; L323-S327 PolarHBondContact O-N 3.25Å
324E96Very high96.8Very high101 Ų10199.8 Ų99.847%0.47249%0.489SS..Hα-helixtrans-59.4-52.5168-70.7163.9178.300110.6K320 R321 L326 S327 D328K320-E324 WeakPolarHBondContact O-CG 3.43Å; K320-E324 PolarHBondContact O-N 3.05Å; R321-E324 WeakPolarHBondContact CA-OE2 3.4Å; E324-L326 VanDerWaalsContact C-N 3.26Å; E324-L326 PolarHBondContact O-N 3.4Å; E324-S327 CarbonylContact O-C 3.48Å; E324-S327 WeakPolarHBondContact O-CA 3.43Å; E324-S327 WeakPolarHBondContact O-CB 3.38Å; E324-S327 PolarHBondContact O-N 3.08Å; E324-S327 PolarHBondContact O-OG 2.84Å; E324-D328 PolarHBondContact O-N 3.41Å
325N96.4Very high96.7Very high107 Ų107101.5 Ų101.557%0.57249%0.49SS*.Hα-helixtrans-56.5-37.6175.1-71-20.8000112.9R321 S327 D328 L329R321-N325 WeakPolarHBondContact O-CB 3.48Å; R321-N325 PolarHBondContact O-N 3.03Å; R321-N325 PolarHBondContact O-ND2 3.45Å; N325-S327 VanDerWaalsContact C-N 3.34Å; N325-D328 PolarHBondContact O-N 3.17Å; N325-L329 WeakPolarHBondContact O-CB 3.28Å; N325-L329 PolarHBondContact O-N 3.34Å
326L95.9Very high96.7Very high102 Ų102104.6 Ų104.653%0.53450%0.503SS..Hα-helixtrans-68.1-32.6173.5-77.7170.2000112.5K322 L323 E324 K330K322-L326 WeakPolarHBondContact O-CG 3.47Å; K322-L326 PolarHBondContact O-N 3.4Å; L323-L326 PolarHBondContact O-N 2.85Å; E324-L326 VanDerWaalsContact C-N 3.26Å; E324-L326 PolarHBondContact O-N 3.4Å; L326-K330 WeakPolarHBondContact O-CB 3.48Å; L326-K330 VanDerWaalsContact O-CG 3.28Å; L326-K330 WeakPolarHBondContact O-CG 3.35Å; L326-K330 PolarHBondContact O-N 3.2Å
327S95.8Very high96.6Very high66 Ų66106.6 Ų106.646%0.46251%0.507SS..Hα-helixtrans-71-39.9174.8800000111.8L323 E324 N325 K330 R331L323-S327 PolarHBondContact O-N 3.25Å; E324-S327 CarbonylContact O-C 3.48Å; E324-S327 WeakPolarHBondContact O-CA 3.43Å; E324-S327 WeakPolarHBondContact O-CB 3.38Å; E324-S327 PolarHBondContact O-N 3.08Å; E324-S327 PolarHBondContact O-OG 2.84Å; N325-S327 VanDerWaalsContact C-N 3.34Å; S327-K330 PolarHBondContact O-N 2.92Å; S327-R331 PolarHBondContact O-N 3.01Å
328D96.8Very high96.6Very high74 Ų74108.5 Ų108.540%0.39652%0.516SS..Hα-helixtrans-65.7-43173.2-86.5-36.6000112E324 N325 K330 R331 Q332E324-D328 PolarHBondContact O-N 3.41Å; N325-D328 PolarHBondContact O-N 3.17Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 2.94Å; D328-R331 CarbonylContact O-C 3.59Å; D328-R331 WeakPolarHBondContact O-CA 3.48Å; D328-R331 WeakPolarHBondContact O-CB 3.49Å; D328-R331 PolarHBondContact O-N 3.28Å; D328-R331 VanDerWaalsContact O-N 3.07Å; D328-Q332 WeakPolarHBondContact O-CG 3.44Å; D328-Q332 PolarHBondContact O-N 2.83Å
329L96.4Very high96.6Very high95 Ų95109.3 Ų109.350%0.49752%0.518SS..Hα-helixtrans-61.7-41.6175.4-17365.2000111.2N325 R331 Q332 V333N325-L329 WeakPolarHBondContact O-CB 3.28Å; N325-L329 PolarHBondContact O-N 3.34Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.84Å; L329-Q332 PolarHBondContact O-N 3.05Å; L329-V333 WeakPolarHBondContact O-CG2 3.31Å; L329-V333 PolarHBondContact O-N 3.44Å
330K96.7Very high96.6Very high150 Ų150107.1 Ų107.165%0.65252%0.517SS*.Hα-helixtrans-61.1-36.9172.1-76.8174-179.4-178.30112.5L326 S327 D328 K334L326-K330 WeakPolarHBondContact O-CB 3.48Å; L326-K330 VanDerWaalsContact O-CG 3.28Å; L326-K330 WeakPolarHBondContact O-CG 3.35Å; L326-K330 PolarHBondContact O-N 3.2Å; S327-K330 PolarHBondContact O-N 2.92Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 2.94Å; K330-K334 PolarHBondContact O-N 3.28Å; K330-K334 VanDerWaalsContact O-N 3.08Å
331R97.3Very high96.6Very high172 Ų172106.8 Ų106.865%0.64952%0.518SS*.Hα-helixtrans-67.8-41175.3-165.9175.875.9100.9-2.6111.8S327 D328 L329 K334 L335S327-R331 PolarHBondContact O-N 3.01Å; D328-R331 CarbonylContact O-C 3.59Å; D328-R331 WeakPolarHBondContact O-CA 3.48Å; D328-R331 WeakPolarHBondContact O-CB 3.49Å; D328-R331 PolarHBondContact O-N 3.28Å; D328-R331 VanDerWaalsContact O-N 3.07Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.84Å; R331-K334 PolarHBondContact O-N 3.27Å; R331-L335 PolarHBondContact O-N 3.4Å
332Q96.6Very high96.6Very high114 Ų114103.9 Ų103.953%0.53351%0.514SS..Hα-helixtrans-64.3-42.2174.3-70.4178.112.200111.9D328 L329 L335 L336D328-Q332 WeakPolarHBondContact O-CG 3.44Å; D328-Q332 PolarHBondContact O-N 2.83Å; L329-Q332 PolarHBondContact O-N 3.05Å; Q332-L335 PolarHBondContact O-N 3.36Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 2.97Å
333V97.2Very high96.6Very high66 Ų66106.1 Ų106.140%0.452%0.521SS..Hα-helixtrans-59.2-49.21751690000110.7L329 L335 L336 E337L329-V333 WeakPolarHBondContact O-CG2 3.31Å; L329-V333 PolarHBondContact O-N 3.44Å; V333-L335 VanDerWaalsContact C-N 3.34Å; V333-L335 PolarHBondContact O-N 3.46Å; V333-L336 PolarHBondContact O-N 3.08Å; V333-L336 VanDerWaalsContact O-N 3.13Å; V333-E337 HydrophobicContact CG1-CG 4.38Å; V333-E337 WeakPolarHBondContact O-CG 3.42Å; V333-E337 PolarHBondContact O-N 2.88Å
334K97.3Very high96.6Very high134 Ų134105.3 Ų105.358%0.58352%0.515SS*.Hα-helixtrans-57.7-44175.1-77.9-168.3170.7-163.60113.1K330 R331 L336 E337 E338K330-K334 PolarHBondContact O-N 3.28Å; K330-K334 VanDerWaalsContact O-N 3.08Å; R331-K334 PolarHBondContact O-N 3.27Å; K334-L336 VanDerWaalsContact C-N 3.3Å; K334-L336 PolarHBondContact O-N 2.84Å; K334-E337 WeakPolarHBondContact O-CB 3.44Å; K334-E337 PolarHBondContact O-N 3.02Å; K334-E338 WeakPolarHBondContact O-CB 3.22Å; K334-E338 WeakPolarHBondContact O-CG 3.34Å; K334-E338 PolarHBondContact O-N 2.91Å
335L97.3Very high96.6Very high92 Ų92106 Ų10648%0.48252%0.518SS..Hα-helixtrans-62.8-37.6177.7-162.393.4000111.7R331 Q332 V333 N339R331-L335 PolarHBondContact O-N 3.4Å; Q332-L335 PolarHBondContact O-N 3.36Å; V333-L335 VanDerWaalsContact C-N 3.34Å; V333-L335 PolarHBondContact O-N 3.46Å; L335-N339 VanDerWaalsContact O-CB 3.32Å; L335-N339 WeakPolarHBondContact O-CB 3.37Å; L335-N339 PolarHBondContact O-N 3.42Å; L335-N339 PolarHBondContact O-ND2 3.07Å; L335-N339 VanDerWaalsContact O-ND2 3.09Å
336L96.7Very high96.6Very high103 Ų103105.1 Ų105.154%0.53951%0.514SS..Hα-helixtrans-70.3-36.2174.7-70.8169.5000112.2Q332 V333 K334 N340Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 2.97Å; V333-L336 PolarHBondContact O-N 3.08Å; V333-L336 VanDerWaalsContact O-N 3.13Å; K334-L336 VanDerWaalsContact C-N 3.3Å; K334-L336 PolarHBondContact O-N 2.84Å; L336-N340 VanDerWaalsContact O-CB 3.27Å; L336-N340 WeakPolarHBondContact O-CB 3.3Å; L336-N340 VanDerWaalsContact O-CG 3.26Å; L336-N340 PolarHBondContact O-N 2.92Å; L336-N340 PolarHBondContact O-ND2 3.2Å
337E95.9Very high96.5Very high118 Ų118103.2 Ų103.255%0.55151%0.508SS*.Hα-helixtrans-64.1-45.3172.5-70.9169.8162.600111.4V333 K334 N340 M341V333-E337 HydrophobicContact CG1-CG 4.38Å; V333-E337 WeakPolarHBondContact O-CG 3.42Å; V333-E337 PolarHBondContact O-N 2.88Å; K334-E337 WeakPolarHBondContact O-CB 3.44Å; K334-E337 PolarHBondContact O-N 3.02Å; E337-N340 PolarHBondContact O-N 3Å; E337-M341 WeakPolarHBondContact O-CB 3.05Å; E337-M341 PolarHBondContact O-N 3.45Å
338E97.1Very high96.5Very high113 Ų113103.4 Ų103.453%0.52851%0.507SS..Hα-helixtrans-63-43.2175.1-72.4165.7-169.200111.9K334 M341 T342K334-E338 WeakPolarHBondContact O-CB 3.22Å; K334-E338 WeakPolarHBondContact O-CG 3.34Å; K334-E338 PolarHBondContact O-N 2.91Å; E338-M341 PolarHBondContact O-N 3.4Å; E338-T342 WeakPolarHBondContact O-CB 3.48Å; E338-T342 PolarHBondContact O-N 3.35Å; E338-T342 PolarHBondContact O-OG1 3.44Å
339N97.4Very high96.5Very high70 Ų70102.2 Ų102.237%0.37451%0.507SS..Hα-helixtrans-64.3-44.5174.1-74.7-30.5000111.7L335 M341 T342 Y343L335-N339 VanDerWaalsContact O-CB 3.32Å; L335-N339 WeakPolarHBondContact O-CB 3.37Å; L335-N339 PolarHBondContact O-N 3.42Å; L335-N339 PolarHBondContact O-ND2 3.07Å; L335-N339 VanDerWaalsContact O-ND2 3.09Å; N339-M341 PolarHBondContact O-N 3.47Å; N339-T342 CarbonylContact O-C 3.54Å; N339-T342 WeakPolarHBondContact O-CB 3.42Å; N339-T342 PolarHBondContact O-N 2.93Å; N339-T342 VanDerWaalsContact O-N 3.14Å; N339-Y343 HydrophobicContact CB-CE2 4.38Å; N339-Y343 WeakPolarHBondContact O-CD2 3.32Å; N339-Y343 PolarHBondContact O-N 2.81Å
340N95.6Very high96.4Very high101 Ų101103.7 Ų103.754%0.5452%0.515SS..Hα-helixtrans-63.8-38.9176.6-80-23.8000112.3L336 E337 T342 Y343 M344L336-N340 VanDerWaalsContact O-CB 3.27Å; L336-N340 WeakPolarHBondContact O-CB 3.3Å; L336-N340 VanDerWaalsContact O-CG 3.26Å; L336-N340 PolarHBondContact O-N 2.92Å; L336-N340 PolarHBondContact O-ND2 3.2Å; E337-N340 PolarHBondContact O-N 3Å; N340-T342 VanDerWaalsContact C-N 3.31Å; N340-T342 PolarHBondContact O-N 2.88Å; N340-Y343 PolarHBondContact O-N 2.69Å; N340-M344 WeakPolarHBondContact O-CB 3.48Å; N340-M344 PolarHBondContact O-N 3.03Å
341M96.6Very high96.3Very high98 Ų98101.1 Ų101.148%0.48351%0.505SS..Hα-helixtrans-59.9-43.2171.4-175.16264.600111E337 E338 N339 M344 Q345E337-M341 WeakPolarHBondContact O-CB 3.05Å; E337-M341 PolarHBondContact O-N 3.45Å; E338-M341 PolarHBondContact O-N 3.4Å; N339-M341 PolarHBondContact O-N 3.47Å; M341-M344 HydrophobicContact CE-CE 4.04Å; M341-M344 PolarHBondContact O-N 2.85Å; M341-M344 HydrophobicContact SD-CE 3.82Å; M341-Q345 VanDerWaalsContact O-CG 3.32Å; M341-Q345 WeakPolarHBondContact O-CG 3.39Å; M341-Q345 PolarHBondContact O-N 2.82Å
342T96.9Very high96.3Very high65 Ų6597.9 Ų97.940%0.39950%0.497SS..Hα-helixtrans-65.6-42.7177.5-53.20000111.9E338 N339 N340 M344 Q345 N346E338-T342 WeakPolarHBondContact O-CB 3.48Å; E338-T342 PolarHBondContact O-N 3.35Å; E338-T342 PolarHBondContact O-OG1 3.44Å; N339-T342 CarbonylContact O-C 3.54Å; N339-T342 WeakPolarHBondContact O-CB 3.42Å; N339-T342 PolarHBondContact O-N 2.93Å; N339-T342 VanDerWaalsContact O-N 3.14Å; N340-T342 VanDerWaalsContact C-N 3.31Å; N340-T342 PolarHBondContact O-N 2.88Å; T342-M344 VanDerWaalsContact C-N 3.35Å; T342-M344 PolarHBondContact O-N 2.93Å; T342-Q345 PolarHBondContact O-N 3.45Å; T342-N346 WeakPolarHBondContact O-CB 3.21Å; T342-N346 VanDerWaalsContact O-CG 3.26Å; T342-N346 PolarHBondContact O-N 2.91Å; T342-N346 PolarHBondContact O-ND2 3.48Å
343Y96.7Very high96.2Very high164 Ų16497.3 Ų97.364%0.64350%0.495SS*.Hα-helixtrans-62.1-40.5173.2-73.6-57.2000112.4N339 N340 N346 S347N339-Y343 HydrophobicContact CB-CE2 4.38Å; N339-Y343 WeakPolarHBondContact O-CD2 3.32Å; N339-Y343 PolarHBondContact O-N 2.81Å; N340-Y343 PolarHBondContact O-N 2.69Å; Y343-N346 PolarHBondContact O-N 2.85Å; Y343-S347 WeakPolarHBondContact O-CB 3.26Å; Y343-S347 PolarHBondContact O-N 3.31Å
344M96.3Very high96Very high106 Ų10699.2 Ų99.252%0.52250%0.502SS..Hα-helixtrans-66.1-43.4176.6178.7164.341.800111.8N340 M341 T342 S347 V348N340-M344 WeakPolarHBondContact O-CB 3.48Å; N340-M344 PolarHBondContact O-N 3.03Å; M341-M344 HydrophobicContact CE-CE 4.04Å; M341-M344 PolarHBondContact O-N 2.85Å; M341-M344 HydrophobicContact SD-CE 3.82Å; T342-M344 VanDerWaalsContact C-N 3.35Å; T342-M344 PolarHBondContact O-N 2.93Å; M344-S347 PolarHBondContact O-N 3.35Å; M344-V348 WeakPolarHBondContact O-CG2 3.23Å; M344-V348 PolarHBondContact O-N 3.48Å
345Q95.4Very high96Very high117 Ų117100.8 Ų100.855%0.54750%0.504SS..Hα-helixtrans-60-45.2173-73.5172.93.600111.8M341 T342 S347 V348 A349M341-Q345 VanDerWaalsContact O-CG 3.32Å; M341-Q345 WeakPolarHBondContact O-CG 3.39Å; M341-Q345 PolarHBondContact O-N 2.82Å; T342-Q345 PolarHBondContact O-N 3.45Å; Q345-S347 PolarHBondContact O-N 2.8Å; Q345-V348 PolarHBondContact O-N 2.94Å; Q345-A349 WeakPolarHBondContact O-CB 3.39Å; Q345-A349 PolarHBondContact O-N 3.45Å
346N96.4Very high95.9Very high88 Ų88101.6 Ų101.647%0.47150%0.504SS..Hα-helixtrans-62.9-39.1175.8-72.3-20000112.2T342 Y343 A349 L350T342-N346 WeakPolarHBondContact O-CB 3.21Å; T342-N346 VanDerWaalsContact O-CG 3.26Å; T342-N346 PolarHBondContact O-N 2.91Å; T342-N346 PolarHBondContact O-ND2 3.48Å; Y343-N346 PolarHBondContact O-N 2.85Å; N346-A349 PolarHBondContact O-N 3.37Å; N346-L350 WeakPolarHBondContact O-CB 3.34Å; N346-L350 VanDerWaalsContact O-CG 3.27Å; N346-L350 WeakPolarHBondContact O-CG 3.45Å; N346-L350 PolarHBondContact O-N 3.32Å
347S94.5Very high95.8Very high61 Ų6199.5 Ų99.543%0.42750%0.501SS..Hα-helixtrans-62.9-46.2175.4-165.70000111.5Y343 M344 Q345 A349 L350 E351Y343-S347 WeakPolarHBondContact O-CB 3.26Å; Y343-S347 PolarHBondContact O-N 3.31Å; M344-S347 PolarHBondContact O-N 3.35Å; Q345-S347 PolarHBondContact O-N 2.8Å; S347-A349 PolarHBondContact O-N 3.32Å; S347-L350 PolarHBondContact O-N 2.96Å; S347-E351 WeakPolarHBondContact O-CG 3.44Å; S347-E351 PolarHBondContact O-N 2.81Å
348V95.8Very high95.8Very high71 Ų7197.9 Ų97.943%0.4350%0.497SS..Hα-helixtrans-62.5-43.2177173.10000111.1M344 Q345 L350 E351 E352M344-V348 WeakPolarHBondContact O-CG2 3.23Å; M344-V348 PolarHBondContact O-N 3.48Å; Q345-V348 PolarHBondContact O-N 2.94Å; V348-L350 VanDerWaalsContact C-N 3.35Å; V348-L350 PolarHBondContact O-N 3.14Å; V348-E351 WeakPolarHBondContact O-CB 3.01Å; V348-E351 PolarHBondContact O-N 3.35Å; V348-E352 PolarHBondContact O-N 2.83Å
349A95.7Very high95.7Very high49 Ų4995.2 Ų95.241%0.40549%0.494SS..Hα-helixtrans-61.2-41.8175.500000112.3Q345 N346 S347 E352 E353Q345-A349 WeakPolarHBondContact O-CB 3.39Å; Q345-A349 PolarHBondContact O-N 3.45Å; N346-A349 PolarHBondContact O-N 3.37Å; S347-A349 PolarHBondContact O-N 3.32Å; A349-E352 PolarHBondContact O-N 3.48Å; A349-E353 PolarHBondContact O-N 3.29Å
350L95.1Very high95.6Very high126 Ų12694.3 Ų94.366%0.6650%0.496SS*.Hα-helixtrans-66.6-36174.9-71.7170.2000112.4N346 S347 V348 E353 L354N346-L350 WeakPolarHBondContact O-CB 3.34Å; N346-L350 VanDerWaalsContact O-CG 3.27Å; N346-L350 WeakPolarHBondContact O-CG 3.45Å; N346-L350 PolarHBondContact O-N 3.32Å; S347-L350 PolarHBondContact O-N 2.96Å; V348-L350 VanDerWaalsContact C-N 3.35Å; V348-L350 PolarHBondContact O-N 3.14Å; L350-E353 PolarHBondContact O-N 2.95Å; L350-L354 VanDerWaalsContact O-CB 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 PolarHBondContact O-N 3.15Å
351E95Very high95.6Very high95 Ų9598.3 Ų98.344%0.44450%0.503SS..Hα-helixtrans-66.9-34.7172.5-77-179-145.300113S347 V348 R355S347-E351 WeakPolarHBondContact O-CG 3.44Å; S347-E351 PolarHBondContact O-N 2.81Å; V348-E351 WeakPolarHBondContact O-CB 3.01Å; V348-E351 PolarHBondContact O-N 3.35Å; E351-R355 PolarHBondContact O-N 3.48Å; E351-R355 IonicContact OE2-NH1 2.72Å
352E95.7Very high95.5Very high104 Ų10496.7 Ų96.749%0.48651%0.506SS..Hα-helixtrans-68.3-45.2173-74.6-172179.300111.7V348 A349 L354 R355 K356V348-E352 PolarHBondContact O-N 2.83Å; A349-E352 PolarHBondContact O-N 3.48Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.28Å; E352-R355 WeakPolarHBondContact O-CB 3.37Å; E352-R355 PolarHBondContact O-N 2.84Å; E352-K356 WeakPolarHBondContact O-CG 3.24Å; E352-K356 PolarHBondContact O-N 3.23Å
353E94.6Very high95.5Very high103 Ų10399.1 Ų99.148%0.48151%0.513SS..Hα-helixtrans-63.3-38.1173.4-69.6-51.5134.800111.9A349 L350 R355 K356 A357A349-E353 PolarHBondContact O-N 3.29Å; L350-E353 PolarHBondContact O-N 2.95Å; E353-R355 VanDerWaalsContact C-N 3.35Å; E353-R355 PolarHBondContact O-N 3.39Å; E353-K356 PolarHBondContact O-N 3.43Å; E353-K356 IonicContact OE1-NZ 2.79Å; E353-K356 PolarHBondContact OE1-NZ 3.3Å; E353-A357 WeakPolarHBondContact O-CB 3.23Å; E353-A357 PolarHBondContact O-N 2.85Å
354L95Very high95.4Very high106 Ų10696.9 Ų96.956%0.55551%0.511SS*.Hα-helixtrans-62.3-40.5172.4-169.178.5000111.7L350 E352 N358L350-L354 VanDerWaalsContact O-CB 3.27Å; L350-L354 WeakPolarHBondContact O-CB 3.42Å; L350-L354 PolarHBondContact O-N 3.15Å; E352-L354 VanDerWaalsContact C-N 3.32Å; E352-L354 PolarHBondContact O-N 3.28Å; L354-N358 WeakPolarHBondContact O-CB 3.47Å; L354-N358 PolarHBondContact O-N 3.46Å; L354-N358 PolarHBondContact O-ND2 2.97Å; L354-N358 VanDerWaalsContact O-ND2 3.11Å
355R96.1Very high95.3Very high166 Ų16696.1 Ų96.163%0.62651%0.507SS*.Hα-helixtrans-62-45.4172.8-83.7-174.7179.283.7-3.9111.7E351 E352 E353 N358 A359E351-R355 PolarHBondContact O-N 3.48Å; E351-R355 IonicContact OE2-NH1 2.72Å; E352-R355 WeakPolarHBondContact O-CB 3.37Å; E352-R355 PolarHBondContact O-N 2.84Å; E353-R355 VanDerWaalsContact C-N 3.35Å; E353-R355 PolarHBondContact O-N 3.39Å; R355-N358 PolarHBondContact O-N 2.96Å; R355-A359 WeakPolarHBondContact O-CB 3.4Å; R355-A359 PolarHBondContact O-N 2.84Å
356K96.3Very high95.3Very high110 Ų11093 Ų9348%0.47850%0.497SS..Hα-helixtrans-61.2-47176.8-67.8168.6-164.2168.30111.2E352 E353 N358 A359 A360E352-K356 WeakPolarHBondContact O-CG 3.24Å; E352-K356 PolarHBondContact O-N 3.23Å; E353-K356 PolarHBondContact O-N 3.43Å; E353-K356 IonicContact OE1-NZ 2.79Å; E353-K356 PolarHBondContact OE1-NZ 3.3Å; K356-N358 PolarHBondContact O-N 2.84Å; K356-A359 PolarHBondContact O-N 3.37Å; K356-A360 WeakPolarHBondContact O-CB 3.2Å; K356-A360 PolarHBondContact O-N 2.83Å
357A94.3Very high95.2Very high58 Ų5895.3 Ų95.348%0.47950%0.5SS..Hα-helixtrans-61.5-41.4176.900000112.4E353 A360 R361E353-A357 WeakPolarHBondContact O-CB 3.23Å; E353-A357 PolarHBondContact O-N 2.85Å; A357-A360 PolarHBondContact O-N 2.9Å; A357-R361 WeakPolarHBondContact O-CB 3.27Å; A357-R361 PolarHBondContact O-N 3.19Å
358N95.2Very high95.3Very high85 Ų8598 Ų9846%0.45551%0.505SS..Hα-helixtrans-67.2-38.4175.2-78.3-37.7000112.6L354 R355 K356 R361 A362L354-N358 WeakPolarHBondContact O-CB 3.47Å; L354-N358 PolarHBondContact O-N 3.46Å; L354-N358 PolarHBondContact O-ND2 2.97Å; L354-N358 VanDerWaalsContact O-ND2 3.11Å; R355-N358 PolarHBondContact O-N 2.96Å; K356-N358 PolarHBondContact O-N 2.84Å; N358-R361 PolarHBondContact O-N 3.23Å; N358-A362 WeakPolarHBondContact O-CB 3.49Å; N358-A362 PolarHBondContact O-N 3.34Å
359A96.1Very high95.2Very high56 Ų56103.1 Ų103.146%0.46352%0.516SS..Hα-helixtrans-64-45.2173.400000111.7R355 K356 R361 A362 Q363R355-A359 WeakPolarHBondContact O-CB 3.4Å; R355-A359 PolarHBondContact O-N 2.84Å; K356-A359 PolarHBondContact O-N 3.37Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3Å; A359-A362 PolarHBondContact O-N 3.03Å; A359-Q363 PolarHBondContact O-N 3.46Å
360A95.1Very high95.2Very high51 Ų51105.7 Ų105.742%0.42152%0.52SS..Hα-helixtrans-61.2-40.2174.200000111.8K356 A357 Q363 L364K356-A360 WeakPolarHBondContact O-CB 3.2Å; K356-A360 PolarHBondContact O-N 2.83Å; A357-A360 PolarHBondContact O-N 2.9Å; A360-Q363 WeakPolarHBondContact O-CB 3.46Å; A360-Q363 PolarHBondContact O-N 2.89Å; A360-L364 WeakPolarHBondContact O-CB 3.34Å; A360-L364 PolarHBondContact O-N 3.32Å
361R95.4Very high95.2Very high185 Ų185104.3 Ų104.370%0.69852%0.517SS*.Hα-helixtrans-64.1-40174.9-170.9177.7-173.8166.44.1112.4A357 N358 A359 L364 E365A357-R361 WeakPolarHBondContact O-CB 3.27Å; A357-R361 PolarHBondContact O-N 3.19Å; N358-R361 PolarHBondContact O-N 3.23Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3Å; R361-L364 PolarHBondContact O-N 2.91Å; R361-E365 PolarHBondContact O-N 3.36Å
362A94.9Very high95.2Very high65 Ų65104.6 Ų104.654%0.53752%0.518SS..Hα-helixtrans-64.8-40.2174.800000111.9N358 A359 S366N358-A362 WeakPolarHBondContact O-CB 3.49Å; N358-A362 PolarHBondContact O-N 3.34Å; A359-A362 PolarHBondContact O-N 3.03Å; A362-S366 PolarHBondContact O-N 3.34Å
363Q95.6Very high95.2Very high115 Ų115103.8 Ų103.854%0.53752%0.517SS..Hα-helixtrans-61.7-45.3171.4-71.5179.4-14.500111.4A359 A360 E365 S366 Y367A359-Q363 PolarHBondContact O-N 3.46Å; A360-Q363 WeakPolarHBondContact O-CB 3.46Å; A360-Q363 PolarHBondContact O-N 2.89Å; Q363-E365 PolarHBondContact O-N 3.44Å; Q363-S366 WeakPolarHBondContact O-CA 3.35Å; Q363-S366 WeakPolarHBondContact O-CB 3.32Å; Q363-S366 PolarHBondContact O-N 2.96Å; Q363-S366 VanDerWaalsContact O-N 3.08Å; Q363-S366 PolarHBondContact O-OG 2.66Å; Q363-Y367 HydrophobicContact CB-CE2 4.38Å; Q363-Y367 VanDerWaalsContact O-CD2 3.27Å; Q363-Y367 WeakPolarHBondContact O-CD2 3.34Å; Q363-Y367 PolarHBondContact O-N 2.93Å
364L94.5Very high95.1Very high118 Ų118104.1 Ų104.162%0.61852%0.521SS*.Hα-helixtrans-62.6-42.1179.8-153.4161.2000111.8A360 R361 S366 Y367 K368A360-L364 WeakPolarHBondContact O-CB 3.34Å; A360-L364 PolarHBondContact O-N 3.32Å; R361-L364 PolarHBondContact O-N 2.91Å; L364-S366 VanDerWaalsContact C-N 3.3Å; L364-S366 PolarHBondContact O-N 3.5Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-K368 WeakPolarHBondContact O-CB 3.44Å; L364-K368 PolarHBondContact O-N 3Å
365E94.8Very high95.1Very high90 Ų90104.5 Ų104.542%0.42152%0.52SS..Hα-helixtrans-66.8-31.7173.7-163.263.9-148.400111.9R361 Q363 K368 R369R361-E365 PolarHBondContact O-N 3.36Å; Q363-E365 PolarHBondContact O-N 3.44Å; E365-K368 PolarHBondContact O-N 3.08Å; E365-K368 IonicContact OE1-NZ 2.79Å; E365-K368 PolarHBondContact OE1-NZ 2.92Å; E365-K368 IonicContact OE2-NZ 2.6Å; E365-R369 PolarHBondContact O-N 2.96Å
366S95.2Very high95.1Very high50 Ų5099.8 Ų99.835%0.3551%0.507SS..Hα-helixtrans-68.1-40.7173.483.30000112.4A362 Q363 L364 R369 Q370A362-S366 PolarHBondContact O-N 3.34Å; Q363-S366 WeakPolarHBondContact O-CA 3.35Å; Q363-S366 WeakPolarHBondContact O-CB 3.32Å; Q363-S366 PolarHBondContact O-N 2.96Å; Q363-S366 VanDerWaalsContact O-N 3.08Å; Q363-S366 PolarHBondContact O-OG 2.66Å; L364-S366 VanDerWaalsContact C-N 3.3Å; L364-S366 PolarHBondContact O-N 3.5Å; S366-R369 PolarHBondContact O-N 2.91Å; S366-Q370 WeakPolarHBondContact O-CG 3.46Å; S366-Q370 PolarHBondContact O-N 3.12Å
367Y94.6Very high95Very high137 Ų137100.4 Ų100.454%0.53751%0.51SS..Hα-helixtrans-66.8-39.5172.8-68-50.1000111.8Q363 L364 R369 Q370 V371Q363-Y367 HydrophobicContact CB-CE2 4.38Å; Q363-Y367 VanDerWaalsContact O-CD2 3.27Å; Q363-Y367 WeakPolarHBondContact O-CD2 3.34Å; Q363-Y367 PolarHBondContact O-N 2.93Å; L364-Y367 PolarHBondContact O-N 2.89Å; Y367-R369 VanDerWaalsContact C-N 3.32Å; Y367-R369 PolarHBondContact O-N 3.02Å; Y367-Q370 WeakPolarHBondContact O-CB 3.44Å; Y367-Q370 PolarHBondContact O-N 3.49Å; Y367-Q370 VanDerWaalsContact O-N 3.14Å; Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.24Å
368K95.6Very high95Very high119 Ų119102.8 Ų102.852%0.51751%0.514SS..Hα-helixtrans-61.2-39.9175.1-175.8-176.7165.8-153.90111.9L364 E365 V371 Q372L364-K368 WeakPolarHBondContact O-CB 3.44Å; L364-K368 PolarHBondContact O-N 3Å; E365-K368 PolarHBondContact O-N 3.08Å; E365-K368 IonicContact OE1-NZ 2.79Å; E365-K368 PolarHBondContact OE1-NZ 2.92Å; E365-K368 IonicContact OE2-NZ 2.6Å; K368-V371 PolarHBondContact O-N 3.17Å; K368-Q372 PolarHBondContact O-N 2.89Å
369R95.3Very high94.9Very high177 Ų177101.7 Ų101.767%0.66851%0.513SS*.Hα-helixtrans-61.4-47.7169.5-86.1-176.4170.6162.3-2112.2E365 S366 Y367 V371 Q372 D373E365-R369 PolarHBondContact O-N 2.96Å; S366-R369 PolarHBondContact O-N 2.91Å; Y367-R369 VanDerWaalsContact C-N 3.32Å; Y367-R369 PolarHBondContact O-N 3.02Å; R369-V371 VanDerWaalsContact C-N 3.3Å; R369-V371 PolarHBondContact O-N 3.27Å; R369-Q372 PolarHBondContact O-N 3.28Å; R369-Q372 VanDerWaalsContact O-N 3.11Å; R369-D373 PolarHBondContact O-N 2.81Å
370Q95.4Very high94.8Very high103 Ų103104.4 Ų104.448%0.48152%0.516SS..Hα-helixtrans-58.8-40.7176.5-69.5172.622.700112.3S366 Y367 D373 L374S366-Q370 WeakPolarHBondContact O-CG 3.46Å; S366-Q370 PolarHBondContact O-N 3.12Å; Y367-Q370 WeakPolarHBondContact O-CB 3.44Å; Y367-Q370 PolarHBondContact O-N 3.49Å; Y367-Q370 VanDerWaalsContact O-N 3.14Å; Q370-D373 PolarHBondContact O-N 3.46Å; Q370-L374 WeakPolarHBondContact O-CB 3.48Å; Q370-L374 VanDerWaalsContact O-CG 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.35Å; Q370-L374 PolarHBondContact O-N 3.12Å
371V94.1Very high94.7Very high98 Ų98106.7 Ų106.759%0.59452%0.518SS*.Hα-helixtrans-63.7-42.8174.61700000111.1Y367 K368 R369 L374 H375Y367-V371 WeakPolarHBondContact O-CG2 3.34Å; Y367-V371 PolarHBondContact O-N 3.24Å; K368-V371 PolarHBondContact O-N 3.17Å; R369-V371 VanDerWaalsContact C-N 3.3Å; R369-V371 PolarHBondContact O-N 3.27Å; V371-L374 PolarHBondContact O-N 3.47Å; V371-H375 VanDerWaalsContact O-CB 3.29Å; V371-H375 WeakPolarHBondContact O-CB 3.39Å; V371-H375 PolarHBondContact O-N 3.1Å
372Q95.4Very high94.6Very high100 Ų100101.2 Ų101.247%0.46751%0.505SS..Hα-helixtrans-64.4-42.8175.4-17264.253.700112.1K368 R369 H375 N376K368-Q372 PolarHBondContact O-N 2.89Å; R369-Q372 PolarHBondContact O-N 3.28Å; R369-Q372 VanDerWaalsContact O-N 3.11Å; Q372-H375 PolarHBondContact O-N 2.77Å; Q372-N376 PolarHBondContact NE2-OD1 2.94Å; Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 PolarHBondContact O-N 3.18Å; Q372-N376 PolarHBondContact O-ND2 3.27Å; Q372-N376 PolarHBondContact O-OD1 2.83Å
373D94.8Very high94.5Very high87 Ų87106.5 Ų106.547%0.46551%0.511SS..Hα-helixtrans-65.1-39177.7-68.9-23.3000111.5R369 Q370 K377R369-D373 PolarHBondContact O-N 2.81Å; Q370-D373 PolarHBondContact O-N 3.46Å; D373-K377 WeakPolarHBondContact O-CB 3.43Å; D373-K377 VanDerWaalsContact O-CG 3.27Å; D373-K377 WeakPolarHBondContact O-CG 3.37Å; D373-K377 PolarHBondContact O-N 2.79Å
374L94.5Very high94.5Very high111 Ų111106.2 Ų106.258%0.58151%0.505SS*.Hα-helixtrans-67.8-38.3173.1-73.5171.2000112Q370 V371 K377 L378Q370-L374 WeakPolarHBondContact O-CB 3.48Å; Q370-L374 VanDerWaalsContact O-CG 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.35Å; Q370-L374 PolarHBondContact O-N 3.12Å; V371-L374 PolarHBondContact O-N 3.47Å; L374-K377 PolarHBondContact O-N 2.73Å; L374-L378 WeakPolarHBondContact O-CB 3.44Å; L374-L378 PolarHBondContact O-N 2.7Å
375H94.9Very high94.4Very high114 Ų114103.2 Ų103.253%0.52850%0.498SS..Hα-helixtrans-66.8-40.6175.5-175.679000111.9V371 Q372 L378 S379V371-H375 VanDerWaalsContact O-CB 3.29Å; V371-H375 WeakPolarHBondContact O-CB 3.39Å; V371-H375 PolarHBondContact O-N 3.1Å; Q372-H375 PolarHBondContact O-N 2.77Å; H375-L378 PolarHBondContact O-N 2.6Å; H375-S379 PolarHBondContact O-N 3.26Å
376N94.8Very high94.3Very high66 Ų66103.7 Ų103.735%0.35350%0.503SS..Hα-helixtrans-63.5-45.1173.4-67.1-9.2000111.1Q372 L378 S379 E380Q372-N376 PolarHBondContact NE2-OD1 2.94Å; Q372-N376 WeakPolarHBondContact O-CB 3.38Å; Q372-N376 PolarHBondContact O-N 3.18Å; Q372-N376 PolarHBondContact O-ND2 3.27Å; Q372-N376 PolarHBondContact O-OD1 2.83Å; N376-L378 VanDerWaalsContact C-N 3.33Å; N376-L378 PolarHBondContact O-N 3.06Å; N376-S379 PolarHBondContact O-N 2.83Å; N376-S379 PolarHBondContact O-OG 2.87Å; N376-E380 WeakPolarHBondContact O-CG 3.39Å; N376-E380 PolarHBondContact O-N 3.38Å
377K95.1Very high94.2Very high124 Ų124105.1 Ų105.154%0.53951%0.506SS..Hα-helixtrans-60.6-42.8173.7-75.2169.4-177.51760111.9D373 L374 E380 E381D373-K377 WeakPolarHBondContact O-CB 3.43Å; D373-K377 VanDerWaalsContact O-CG 3.27Å; D373-K377 WeakPolarHBondContact O-CG 3.37Å; D373-K377 PolarHBondContact O-N 2.79Å; L374-K377 PolarHBondContact O-N 2.73Å; K377-E380 PolarHBondContact O-N 3.21Å; K377-E381 WeakPolarHBondContact O-CG 3.43Å; K377-E381 PolarHBondContact O-N 2.87Å
378L93Very high94.1Very high107 Ų107104.5 Ų104.556%0.5651%0.509SS*.Hα-helixtrans-61.8-44.4177.1-178.562.7000111.1L374 H375 N376 E380 E381 T382L374-L378 WeakPolarHBondContact O-CB 3.44Å; L374-L378 PolarHBondContact O-N 2.7Å; H375-L378 PolarHBondContact O-N 2.6Å; N376-L378 VanDerWaalsContact C-N 3.33Å; N376-L378 PolarHBondContact O-N 3.06Å; L378-E380 VanDerWaalsContact C-N 3.35Å; L378-E380 PolarHBondContact O-N 2.69Å; L378-E381 PolarHBondContact O-N 3.04Å; L378-T382 WeakPolarHBondContact O-CB 3.38Å; L378-T382 PolarHBondContact O-N 3.4Å; L378-T382 PolarHBondContact O-OG1 2.87Å; L378-T382 VanDerWaalsContact O-OG1 3.04Å
379S93.7Very high94Very high63 Ų63101.7 Ų101.744%0.44151%0.509SS..Hα-helixtrans-68.7-31.7177.7730000112.9H375 N376 R383H375-S379 PolarHBondContact O-N 3.26Å; N376-S379 PolarHBondContact O-N 2.83Å; N376-S379 PolarHBondContact O-OG 2.87Å; S379-R383 VanDerWaalsContact O-CB 3.22Å; S379-R383 WeakPolarHBondContact O-CB 3.33Å; S379-R383 PolarHBondContact O-N 3.2Å
380E94.7Very high93.9Very high112 Ų11299.8 Ų99.852%0.52351%0.506SS..Hα-helixtrans-67.1-41.3169.9-76-179.8-176.600113.2N376 K377 L378 R384N376-E380 WeakPolarHBondContact O-CG 3.39Å; N376-E380 PolarHBondContact O-N 3.38Å; K377-E380 PolarHBondContact O-N 3.21Å; L378-E380 VanDerWaalsContact C-N 3.35Å; L378-E380 PolarHBondContact O-N 2.69Å; E380-R384 WeakPolarHBondContact O-CB 3.35Å; E380-R384 WeakPolarHBondContact O-CG 3.32Å; E380-R384 PolarHBondContact O-N 2.85Å; E380-R384 PolarHBondContact O-NE 3.05Å
381E91.8Very high93.8Very high99 Ų99100.2 Ų100.246%0.46351%0.507SS..Hα-helixtrans-66.4-45174.1-69.4-59.415700111K377 L378 R383 R384 A385K377-E381 WeakPolarHBondContact O-CG 3.43Å; K377-E381 PolarHBondContact O-N 2.87Å; L378-E381 PolarHBondContact O-N 3.04Å; E381-R383 PolarHBondContact O-N 3Å; E381-R384 PolarHBondContact O-N 3.28Å; E381-R384 IonicContact OE1-CZ 2.75Å; E381-R384 IonicContact OE1-NH1 3.37Å; E381-R384 PolarHBondContact OE1-NH1 3.02Å; E381-R384 IonicContact OE1-NH2 2.6Å; E381-R384 PolarHBondContact OE1-NH2 3.5Å; E381-R384 IonicContact OE2-CZ 3Å; E381-R384 IonicContact OE2-NH1 3.96Å; E381-R384 PolarHBondContact OE2-NH1 2.81Å; E381-R384 IonicContact OE2-NH2 3.97Å; E381-A385 WeakPolarHBondContact O-CB 3.25Å; E381-A385 PolarHBondContact O-N 3.13Å
382T93.4Very high93.6Very high70 Ų70100.8 Ų100.843%0.42951%0.505SS..Hα-helixtrans-57.7-48.9173.5-61.50000110.6L378 R384 A385 D386L378-T382 WeakPolarHBondContact O-CB 3.38Å; L378-T382 PolarHBondContact O-N 3.4Å; L378-T382 PolarHBondContact O-OG1 2.87Å; L378-T382 VanDerWaalsContact O-OG1 3.04Å; T382-R384 VanDerWaalsContact C-N 3.3Å; T382-R384 PolarHBondContact O-N 3.4Å; T382-A385 CarbonylContact O-C 3.45Å; T382-A385 WeakPolarHBondContact O-CA 3.3Å; T382-A385 WeakPolarHBondContact O-CB 3.43Å; T382-A385 PolarHBondContact O-N 2.79Å; T382-A385 VanDerWaalsContact O-N 3.09Å; T382-D386 VanDerWaalsContact O-CG 3.26Å; T382-D386 PolarHBondContact O-N 3.38Å
383R94.3Very high93.6Very high177 Ų177101.7 Ų101.767%0.66851%0.507SS*.Hα-helixtrans-61.1-36.6176.9-177.4179.5176.8129.12.8112.5S379 E381 I387S379-R383 VanDerWaalsContact O-CB 3.22Å; S379-R383 WeakPolarHBondContact O-CB 3.33Å; S379-R383 PolarHBondContact O-N 3.2Å; E381-R383 PolarHBondContact O-N 3Å; R383-I387 HydrophobicContact CG-CD1 4.22Å; R383-I387 WeakPolarHBondContact O-CD1 3.36Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.41Å; R383-I387 PolarHBondContact O-N 2.89Å
384R94.9Very high93.5Very high108 Ų108102.5 Ų102.541%0.40851%0.507SS..Hα-helixtrans-67.6-40.7173.8-84.5-176.4-87.6133.8-6.3111.7E380 E381 T382 I387 M388E380-R384 WeakPolarHBondContact O-CB 3.35Å; E380-R384 WeakPolarHBondContact O-CG 3.32Å; E380-R384 PolarHBondContact O-N 2.85Å; E380-R384 PolarHBondContact O-NE 3.05Å; E381-R384 PolarHBondContact O-N 3.28Å; E381-R384 IonicContact OE1-CZ 2.75Å; E381-R384 IonicContact OE1-NH1 3.37Å; E381-R384 PolarHBondContact OE1-NH1 3.02Å; E381-R384 IonicContact OE1-NH2 2.6Å; E381-R384 PolarHBondContact OE1-NH2 3.5Å; E381-R384 IonicContact OE2-CZ 3Å; E381-R384 IonicContact OE2-NH1 3.96Å; E381-R384 PolarHBondContact OE2-NH1 2.81Å; E381-R384 IonicContact OE2-NH2 3.97Å; T382-R384 VanDerWaalsContact C-N 3.3Å; T382-R384 PolarHBondContact O-N 3.4Å; R384-I387 PolarHBondContact O-N 2.71Å; R384-M388 WeakPolarHBondContact O-CG 3.4Å; R384-M388 PolarHBondContact O-N 3.08Å
385A91.3Very high93.4Very high55 Ų55102.2 Ų102.246%0.45551%0.505SS..Hα-helixtrans-62.4-41.8173.300000111.9E381 T382 M388 A389E381-A385 WeakPolarHBondContact O-CB 3.25Å; E381-A385 PolarHBondContact O-N 3.13Å; T382-A385 CarbonylContact O-C 3.45Å; T382-A385 WeakPolarHBondContact O-CA 3.3Å; T382-A385 WeakPolarHBondContact O-CB 3.43Å; T382-A385 PolarHBondContact O-N 2.79Å; T382-A385 VanDerWaalsContact O-N 3.09Å; A385-M388 PolarHBondContact O-N 3.49Å; A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 2.99Å
386D93.1Very high93.3Very high100 Ų100102.5 Ų102.554%0.53551%0.507SS..Hα-helixtrans-62.9-42.5176.3-65.7-32000112.1T382 A389 F390T382-D386 VanDerWaalsContact O-CG 3.26Å; T382-D386 PolarHBondContact O-N 3.38Å; D386-A389 PolarHBondContact O-N 3.31Å; D386-F390 WeakPolarHBondContact O-CB 3.26Å; D386-F390 PolarHBondContact O-N 2.98Å
387I94.3Very high93.3Very high81 Ų81104.1 Ų104.142%0.41551%0.512SS..Hα-helixtrans-62-47.6174.7-69163.4000110.3R383 R384 A389 F390 E391R383-I387 HydrophobicContact CG-CD1 4.22Å; R383-I387 WeakPolarHBondContact O-CD1 3.36Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.41Å; R383-I387 PolarHBondContact O-N 2.89Å; R384-I387 PolarHBondContact O-N 2.71Å; I387-A389 VanDerWaalsContact C-N 3.34Å; I387-A389 PolarHBondContact O-N 3.05Å; I387-F390 PolarHBondContact O-N 3.37Å; I387-E391 WeakPolarHBondContact O-CG 3.48Å; I387-E391 PolarHBondContact O-N 3.03Å
388M91.5Very high93.2Very high123 Ų123103.8 Ų103.861%0.60651%0.511SS*.Hα-helixtrans-62.7-39.5177.1-72-177.9179.200112R384 A385 E391 M392R384-M388 WeakPolarHBondContact O-CG 3.4Å; R384-M388 PolarHBondContact O-N 3.08Å; A385-M388 PolarHBondContact O-N 3.49Å; M388-E391 PolarHBondContact O-N 3.02Å; M388-M392 WeakPolarHBondContact O-CB 3.37Å; M388-M392 WeakPolarHBondContact O-CG 3.34Å; M388-M392 PolarHBondContact O-N 3.34Å
389A93.3Very high93.1Very high61 Ų61104.4 Ų104.450%0.50451%0.511SS..Hα-helixtrans-64.2-40.2176.100000111.9A385 D386 I387 K393A385-A389 WeakPolarHBondContact O-CB 3.37Å; A385-A389 PolarHBondContact O-N 2.99Å; D386-A389 PolarHBondContact O-N 3.31Å; I387-A389 VanDerWaalsContact C-N 3.34Å; I387-A389 PolarHBondContact O-N 3.05Å; A389-K393 WeakPolarHBondContact O-CB 3.1Å; A389-K393 PolarHBondContact O-N 3.12Å
390F93.6Very high93.2Very high137 Ų137106 Ų10660%0.60151%0.511SS*.Hα-helixtrans-66-41.9173.7179.1-98.1000112.4D386 I387 K393 K394D386-F390 WeakPolarHBondContact O-CB 3.26Å; D386-F390 PolarHBondContact O-N 2.98Å; I387-F390 PolarHBondContact O-N 3.37Å; F390-K393 PolarHBondContact O-N 3.33Å; F390-K394 HydrophobicContact CE1-CD 4.43Å; F390-K394 VanDerWaalsContact O-CB 3.32Å; F390-K394 WeakPolarHBondContact O-CB 3.48Å; F390-K394 PolarHBondContact O-N 3.49Å
391E93.9Very high93.1Very high111 Ų111104.2 Ų104.252%0.51951%0.508SS..Hα-helixtrans-64.6-42.9175.5-74-177.8169.400112.2I387 M388 K394 L395I387-E391 WeakPolarHBondContact O-CG 3.48Å; I387-E391 PolarHBondContact O-N 3.03Å; M388-E391 PolarHBondContact O-N 3.02Å; E391-K394 PolarHBondContact O-N 2.93Å; E391-L395 WeakPolarHBondContact O-CG 3.27Å; E391-L395 PolarHBondContact O-N 3.29Å
392M88.8Confident93.2Very high110 Ų110103.6 Ų103.654%0.54251%0.511SS..Hα-helixtrans-60-50.4173.8-73.8-70.1-73.600110.9M388 K394 L395 E396M388-M392 WeakPolarHBondContact O-CB 3.37Å; M388-M392 WeakPolarHBondContact O-CG 3.34Å; M388-M392 PolarHBondContact O-N 3.34Å; M392-K394 VanDerWaalsContact C-N 3.3Å; M392-K394 PolarHBondContact O-N 3.3Å; M392-L395 CarbonylContact O-C 3.53Å; M392-L395 WeakPolarHBondContact O-CA 3.49Å; M392-L395 WeakPolarHBondContact O-CB 3.49Å; M392-L395 PolarHBondContact O-N 3.02Å; M392-E396 WeakPolarHBondContact O-CG 3.19Å; M392-E396 PolarHBondContact O-N 3.34Å
393K95Very high93.1Very high119 Ų119103.2 Ų103.252%0.51751%0.506SS..Hα-helixtrans-57.4-42.2176.1-174.3-179.5179-1710112.2A389 F390 L395 E396 E397A389-K393 WeakPolarHBondContact O-CB 3.1Å; A389-K393 PolarHBondContact O-N 3.12Å; F390-K393 PolarHBondContact O-N 3.33Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 2.95Å; K393-E396 WeakPolarHBondContact O-CB 3.48Å; K393-E396 PolarHBondContact O-N 3.35Å; K393-E397 WeakPolarHBondContact CE-OE1 3.4Å; K393-E397 IonicContact NZ-OE1 3.95Å; K393-E397 WeakPolarHBondContact O-CB 3.42Å; K393-E397 WeakPolarHBondContact O-CG 3.44Å; K393-E397 PolarHBondContact O-N 2.96Å
394K94.4Very high93.1Very high105 Ų10599.4 Ų99.446%0.45749%0.494SS..Hα-helixtrans-66.3-30.6176.4-175.3178.4-176.4177.10112.8F390 E391 M392 K398F390-K394 HydrophobicContact CE1-CD 4.43Å; F390-K394 VanDerWaalsContact O-CB 3.32Å; F390-K394 WeakPolarHBondContact O-CB 3.48Å; F390-K394 PolarHBondContact O-N 3.49Å; E391-K394 PolarHBondContact O-N 2.93Å; M392-K394 VanDerWaalsContact C-N 3.3Å; M392-K394 PolarHBondContact O-N 3.3Å; K394-K398 VanDerWaalsContact O-CG 3.26Å; K394-K398 WeakPolarHBondContact O-CG 3.48Å; K394-K398 PolarHBondContact O-N 3.05Å
395L91.9Very high92.9Very high105 Ų10599.2 Ų99.255%0.5550%0.498SS..Hα-helixtrans-75.9-37.6172.8-72.8170.4000111.7E391 M392 K393 K398 H399E391-L395 WeakPolarHBondContact O-CG 3.27Å; E391-L395 PolarHBondContact O-N 3.29Å; M392-L395 CarbonylContact O-C 3.53Å; M392-L395 WeakPolarHBondContact O-CA 3.49Å; M392-L395 WeakPolarHBondContact O-CB 3.49Å; M392-L395 PolarHBondContact O-N 3.02Å; K393-L395 VanDerWaalsContact C-N 3.31Å; K393-L395 PolarHBondContact O-N 2.95Å; L395-K398 PolarHBondContact O-N 3.33Å; L395-H399 WeakPolarHBondContact O-CB 3.46Å; L395-H399 PolarHBondContact O-N 3.06Å
396E92.7Very high92.9Very high120 Ų120102.4 Ų102.456%0.56150%0.501SS*.Hα-helixtrans-62.4-49.1172.4-72171.9171.400111.3M392 K393 K398 H399 E400M392-E396 WeakPolarHBondContact O-CG 3.19Å; M392-E396 PolarHBondContact O-N 3.34Å; K393-E396 WeakPolarHBondContact O-CB 3.48Å; K393-E396 PolarHBondContact O-N 3.35Å; E396-K398 VanDerWaalsContact C-N 3.32Å; E396-K398 PolarHBondContact O-N 2.87Å; E396-H399 CarbonylContact O-C 3.6Å; E396-H399 WeakPolarHBondContact O-CB 3.39Å; E396-H399 PolarHBondContact O-N 2.75Å; E396-H399 VanDerWaalsContact O-N 3.08Å; E396-E400 WeakPolarHBondContact O-CB 3.49Å; E396-E400 PolarHBondContact O-N 2.86Å
397E93.7Very high92.9Very high100 Ų100103 Ų10347%0.46750%0.501SS..Hα-helixtrans-56.5-44.4174.8-74.8170.9-175.500111.5K393 E400 T401K393-E397 WeakPolarHBondContact CE-OE1 3.4Å; K393-E397 IonicContact NZ-OE1 3.95Å; K393-E397 WeakPolarHBondContact O-CB 3.42Å; K393-E397 WeakPolarHBondContact O-CG 3.44Å; K393-E397 PolarHBondContact O-N 2.96Å; E397-E400 PolarHBondContact O-N 3.08Å; E397-T401 WeakPolarHBondContact O-CG2 3.41Å; E397-T401 PolarHBondContact O-N 3.14Å; E397-T401 PolarHBondContact O-OG1 3.29Å
398K94.4Very high92.8Very high117 Ų117106 Ų10651%0.50951%0.507SS..Hα-helixtrans-62.6-44.2173.7-77.9174.6177.1-173.40112.2K394 L395 E396 E400 T401 V402K394-K398 VanDerWaalsContact O-CG 3.26Å; K394-K398 WeakPolarHBondContact O-CG 3.48Å; K394-K398 PolarHBondContact O-N 3.05Å; L395-K398 PolarHBondContact O-N 3.33Å; E396-K398 VanDerWaalsContact C-N 3.32Å; E396-K398 PolarHBondContact O-N 2.87Å; K398-E400 VanDerWaalsContact C-N 3.3Å; K398-E400 PolarHBondContact O-N 2.85Å; K398-T401 WeakPolarHBondContact CA-OG1 3.38Å; K398-T401 PolarHBondContact O-N 2.79Å; K398-T401 PolarHBondContact O-OG1 3.09Å; K398-V402 WeakPolarHBondContact O-CG2 3.41Å; K398-V402 PolarHBondContact O-N 2.7Å
399H91.5Very high92.8Very high120 Ų120105.4 Ų105.456%0.55651%0.505SS*.Hα-helixtrans-61.1-42.3177.7-17467.8000110.8L395 E396 V402 L403L395-H399 WeakPolarHBondContact O-CB 3.46Å; L395-H399 PolarHBondContact O-N 3.06Å; E396-H399 CarbonylContact O-C 3.6Å; E396-H399 WeakPolarHBondContact O-CB 3.39Å; E396-H399 PolarHBondContact O-N 2.75Å; E396-H399 VanDerWaalsContact O-N 3.08Å; H399-V402 PolarHBondContact O-N 3.35Å; H399-L403 WeakPolarHBondContact O-CG 3.46Å; H399-L403 PolarHBondContact O-N 2.79Å
400E94.2Very high92.7Very high96 Ų96105.3 Ų105.345%0.44950%0.496SS..Hα-helixtrans-63.6-40175-159.2-167.416200112E396 E397 K398 L403 K404E396-E400 WeakPolarHBondContact O-CB 3.49Å; E396-E400 PolarHBondContact O-N 2.86Å; E397-E400 PolarHBondContact O-N 3.08Å; K398-E400 VanDerWaalsContact C-N 3.3Å; K398-E400 PolarHBondContact O-N 2.85Å; E400-L403 PolarHBondContact O-N 3.1Å; E400-K404 VanDerWaalsContact CD-NZ 3.29Å; E400-K404 WeakPolarHBondContact O-CG 3.35Å; E400-K404 PolarHBondContact O-N 3.4Å; E400-K404 WeakPolarHBondContact OE1-CE 3.47Å; E400-K404 IonicContact OE1-NZ 2.7Å; E400-K404 PolarHBondContact OE1-NZ 2.89Å; E400-K404 IonicContact OE2-NZ 3.21Å
401T92.9Very high92.6Very high75 Ų75104.3 Ų104.346%0.4650%0.495SS..Hα-helixtrans-63.3-41.5173.355.20000112.5E397 K398 L403 K404 E405E397-T401 WeakPolarHBondContact O-CG2 3.41Å; E397-T401 PolarHBondContact O-N 3.14Å; E397-T401 PolarHBondContact O-OG1 3.29Å; K398-T401 WeakPolarHBondContact CA-OG1 3.38Å; K398-T401 PolarHBondContact O-N 2.79Å; K398-T401 PolarHBondContact O-OG1 3.09Å; T401-L403 VanDerWaalsContact C-N 3.35Å; T401-K404 PolarHBondContact O-N 2.84Å; T401-E405 WeakPolarHBondContact O-CG 3.05Å; T401-E405 PolarHBondContact O-N 2.91Å
402V93.3Very high92.4Very high85 Ų85104.4 Ų104.452%0.51550%0.496SS..Hα-helixtrans-68.4-34.5177.2171.30000111.3K398 H399 E405 K406K398-V402 WeakPolarHBondContact O-CG2 3.41Å; K398-V402 PolarHBondContact O-N 2.7Å; H399-V402 PolarHBondContact O-N 3.35Å; V402-E405 PolarHBondContact O-N 2.86Å; V402-K406 VanDerWaalsContact O-CB 3.29Å; V402-K406 WeakPolarHBondContact O-CB 3.4Å; V402-K406 PolarHBondContact O-N 3.39Å
403L92.8Very high92.5Very high63 Ų63104.7 Ų104.733%0.3349%0.491SS..Hα-helixtrans-63.9-45.5171.3-74.7174.4000111.5H399 E400 T401 E405 K406 E407H399-L403 WeakPolarHBondContact O-CG 3.46Å; H399-L403 PolarHBondContact O-N 2.79Å; E400-L403 PolarHBondContact O-N 3.1Å; T401-L403 VanDerWaalsContact C-N 3.35Å; L403-E405 VanDerWaalsContact C-N 3.33Å; L403-E405 PolarHBondContact O-N 3.24Å; L403-K406 HydrophobicContact CD2-CD 4.47Å; L403-K406 WeakPolarHBondContact O-CB 3.4Å; L403-K406 PolarHBondContact O-N 2.95Å; L403-E407 WeakPolarHBondContact O-CG 3.41Å; L403-E407 PolarHBondContact O-N 2.92Å
404K93.6Very high92.3Very high97 Ų97101.8 Ų101.842%0.42248%0.481SS..Hα-helixtrans-64.5-34.6175.9-71.6168.6-176.6167.30112.8E400 T401 R408E400-K404 VanDerWaalsContact CD-NZ 3.29Å; E400-K404 WeakPolarHBondContact O-CG 3.35Å; E400-K404 PolarHBondContact O-N 3.4Å; E400-K404 WeakPolarHBondContact OE1-CE 3.47Å; E400-K404 IonicContact OE1-NZ 2.7Å; E400-K404 PolarHBondContact OE1-NZ 2.89Å; E400-K404 IonicContact OE2-NZ 3.21Å; T401-K404 PolarHBondContact O-N 2.84Å; K404-R408 PolarHBondContact O-N 2.66Å
405E91.1Very high92.1Very high103 Ų10399.2 Ų99.248%0.48148%0.476SS..Hα-helixtrans-68.7-44171.7-75.5180170.200112.1T401 V402 L403 E407 R408 I409T401-E405 WeakPolarHBondContact O-CG 3.05Å; T401-E405 PolarHBondContact O-N 2.91Å; V402-E405 PolarHBondContact O-N 2.86Å; L403-E405 VanDerWaalsContact C-N 3.33Å; L403-E405 PolarHBondContact O-N 3.24Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.27Å; E405-R408 PolarHBondContact O-N 2.88Å; E405-I409 WeakPolarHBondContact O-CG1 3.48Å; E405-I409 PolarHBondContact O-N 3.18Å
406K91.9Very high91.9Very high122 Ų12299.2 Ų99.253%0.5348%0.476SS..Hα-helixtrans-58.3-42.2172.7175.1-167.5169.7-1650111.4V402 L403 I409 I410V402-K406 VanDerWaalsContact O-CB 3.29Å; V402-K406 WeakPolarHBondContact O-CB 3.4Å; V402-K406 PolarHBondContact O-N 3.39Å; L403-K406 HydrophobicContact CD2-CD 4.47Å; L403-K406 WeakPolarHBondContact O-CB 3.4Å; L403-K406 PolarHBondContact O-N 2.95Å; K406-I409 PolarHBondContact O-N 3.27Å; K406-I410 HydrophobicContact CG-CD1 4.06Å; K406-I410 WeakPolarHBondContact O-CB 3.46Å; K406-I410 WeakPolarHBondContact O-CD1 3.28Å; K406-I410 VanDerWaalsContact O-CG1 3.25Å; K406-I410 WeakPolarHBondContact O-CG1 3.46Å; K406-I410 PolarHBondContact O-N 2.68Å
407E92.9Very high91.7Very high112 Ų11298.2 Ų98.252%0.52347%0.47SS..Hα-helixtrans-64.4-44.5175-75.8172.6-177.900111.8L403 E405 I409 I410 I411L403-E407 WeakPolarHBondContact O-CG 3.41Å; L403-E407 PolarHBondContact O-N 2.92Å; E405-E407 VanDerWaalsContact C-N 3.3Å; E405-E407 PolarHBondContact O-N 3.27Å; E407-I409 PolarHBondContact O-N 2.84Å; E407-I410 WeakPolarHBondContact O-CB 3.49Å; E407-I410 PolarHBondContact O-N 3.44Å; E407-I411 WeakPolarHBondContact O-CG1 3.22Å; E407-I411 PolarHBondContact O-N 3Å
408R91.9Very high91.2Very high145 Ų14599 Ų9955%0.54747%0.474SS..Hα-helixtrans-57.8-47.5172-86.5-169.1-76.4-118.11.5112.5K404 E405 I410 I411 E412K404-R408 PolarHBondContact O-N 2.66Å; E405-R408 PolarHBondContact O-N 2.88Å; R408-I410 VanDerWaalsContact C-N 3.26Å; R408-I410 PolarHBondContact O-N 2.86Å; R408-I411 PolarHBondContact O-N 3.07Å; R408-I411 VanDerWaalsContact O-N 3.11Å; R408-E412 WeakPolarHBondContact O-CB 3.41Å; R408-E412 WeakPolarHBondContact O-CG 3.45Å; R408-E412 PolarHBondContact O-N 2.58Å
409I90.9Very high90.8Very high110 Ų11096.9 Ų96.956%0.56447%0.467SS*.Hα-helixtrans-62.5-34.5177.5-67.9165.6000111.2E405 K406 E407 R413E405-I409 WeakPolarHBondContact O-CG1 3.48Å; E405-I409 PolarHBondContact O-N 3.18Å; K406-I409 PolarHBondContact O-N 3.27Å; E407-I409 PolarHBondContact O-N 2.84Å; I409-R413 WeakPolarHBondContact O-CB 3.33Å; I409-R413 PolarHBondContact O-N 2.92Å
410I91.6Very high90.2Very high60 Ų6095.2 Ų95.231%0.30846%0.462SS..Hα-helixtrans-64.9-45.2173.1-76.2164.8000111K406 E407 R408 R413 D414K406-I410 HydrophobicContact CG-CD1 4.06Å; K406-I410 WeakPolarHBondContact O-CB 3.46Å; K406-I410 WeakPolarHBondContact O-CD1 3.28Å; K406-I410 VanDerWaalsContact O-CG1 3.25Å; K406-I410 WeakPolarHBondContact O-CG1 3.46Å; K406-I410 PolarHBondContact O-N 2.68Å; E407-I410 WeakPolarHBondContact O-CB 3.49Å; E407-I410 PolarHBondContact O-N 3.44Å; R408-I410 VanDerWaalsContact C-N 3.26Å; R408-I410 PolarHBondContact O-N 2.86Å; I410-R413 PolarHBondContact O-N 3.13Å; I410-D414 WeakPolarHBondContact O-CB 3.43Å; I410-D414 VanDerWaalsContact O-CG 3.29Å; I410-D414 PolarHBondContact O-N 3.41Å
411I91.7Very high89.7Confident115 Ų11596.3 Ų96.359%0.5947%0.467SS*.Hα-helixtrans-65-47.6177.6-65.9162.4000110.9E407 R408 R413 D414 S415E407-I411 WeakPolarHBondContact O-CG1 3.22Å; E407-I411 PolarHBondContact O-N 3Å; R408-I411 PolarHBondContact O-N 3.07Å; R408-I411 VanDerWaalsContact O-N 3.11Å; I411-R413 PolarHBondContact O-N 2.99Å; I411-D414 PolarHBondContact O-N 3.19Å; I411-S415 WeakPolarHBondContact O-CB 3.37Å; I411-S415 PolarHBondContact O-N 3.21Å
412E89.5Confident89.1Confident114 Ų11498.5 Ų98.553%0.53347%0.472SS..Hα-helixtrans-60.1-44.1176.1-73.8172.8-166.400111.5R408 D414 S415 L416R408-E412 WeakPolarHBondContact O-CB 3.41Å; R408-E412 WeakPolarHBondContact O-CG 3.45Å; R408-E412 PolarHBondContact O-N 2.58Å; E412-D414 VanDerWaalsContact C-N 3.33Å; E412-D414 PolarHBondContact O-N 3.01Å; E412-S415 PolarHBondContact O-N 3.32Å; E412-L416 VanDerWaalsContact O-CB 3.31Å; E412-L416 WeakPolarHBondContact O-CB 3.31Å; E412-L416 VanDerWaalsContact O-CG 3.25Å; E412-L416 WeakPolarHBondContact O-CG 3.46Å; E412-L416 PolarHBondContact O-N 2.9Å
413R91.2Very high88.2Confident115 Ų11598.8 Ų98.843%0.43447%0.471SS..Hα-helixtrans-58.3-44.2173.7175.9-154.773.3-171.6-0.1111.6I409 I410 I411 L416 K417I409-R413 WeakPolarHBondContact O-CB 3.33Å; I409-R413 PolarHBondContact O-N 2.92Å; I410-R413 PolarHBondContact O-N 3.13Å; I411-R413 PolarHBondContact O-N 2.99Å; R413-L416 PolarHBondContact O-N 3.47Å; R413-K417 WeakPolarHBondContact O-CG 3.47Å; R413-K417 PolarHBondContact O-N 2.81Å
414D90.3Very high87.5Confident59 Ų59103.7 Ų103.732%0.31649%0.485SS..Hα-helixtrans-75.9-35.8-176.4-68.9-21.3000112I410 I411 E412 K417 E418I410-D414 WeakPolarHBondContact O-CB 3.43Å; I410-D414 VanDerWaalsContact O-CG 3.29Å; I410-D414 PolarHBondContact O-N 3.41Å; I411-D414 PolarHBondContact O-N 3.19Å; E412-D414 VanDerWaalsContact C-N 3.33Å; E412-D414 PolarHBondContact O-N 3.01Å; D414-K417 WeakPolarHBondContact O-CB 3.48Å; D414-K417 PolarHBondContact O-N 3.32Å; D414-K417 WeakPolarHBondContact OD1-CE 3.49Å; D414-K417 IonicContact OD1-NZ 3.23Å; D414-K417 PolarHBondContact OD1-NZ 3.21Å; D414-E418 PolarHBondContact O-N 3.05Å
415S89.1Confident86.3Confident51 Ų51103 Ų10336%0.35749%0.491SS..Hα-helixtrans-63-40.8167.81790000112.1I411 E412 K417 E418 I419I411-S415 WeakPolarHBondContact O-CB 3.37Å; I411-S415 PolarHBondContact O-N 3.21Å; E412-S415 PolarHBondContact O-N 3.32Å; S415-K417 VanDerWaalsContact C-N 3.3Å; S415-K417 PolarHBondContact O-N 3.14Å; S415-E418 WeakPolarHBondContact O-CB 3.49Å; S415-E418 PolarHBondContact O-N 3.06Å; S415-I419 WeakPolarHBondContact O-CB 3.35Å; S415-I419 VanDerWaalsContact O-CG1 3.29Å; S415-I419 WeakPolarHBondContact O-CG1 3.16Å; S415-I419 PolarHBondContact O-N 2.82Å
416L88Confident85.2Confident104 Ų104101.4 Ų101.455%0.54549%0.488SS..Hα-helixtrans-67-29174.7-75.5171.6000113E412 R413 N420E412-L416 VanDerWaalsContact O-CB 3.31Å; E412-L416 WeakPolarHBondContact O-CB 3.31Å; E412-L416 VanDerWaalsContact O-CG 3.25Å; E412-L416 WeakPolarHBondContact O-CG 3.46Å; E412-L416 PolarHBondContact O-N 2.9Å; R413-L416 PolarHBondContact O-N 3.47Å; L416-N420 WeakPolarHBondContact O-CB 3.46Å; L416-N420 PolarHBondContact O-N 2.91Å; L416-N420 VanDerWaalsContact O-N 3.08Å; L416-N420 PolarHBondContact O-ND2 3.17Å
417K88.8Confident83.8Confident99 Ų99101.6 Ų101.643%0.4349%0.491SS..Hα-helixtrans-69.2-47.5169.5-72.8171.2-171.4163.10111R413 D414 S415 I419 N420 E421R413-K417 WeakPolarHBondContact O-CG 3.47Å; R413-K417 PolarHBondContact O-N 2.81Å; D414-K417 WeakPolarHBondContact O-CB 3.48Å; D414-K417 PolarHBondContact O-N 3.32Å; D414-K417 WeakPolarHBondContact OD1-CE 3.49Å; D414-K417 IonicContact OD1-NZ 3.23Å; D414-K417 PolarHBondContact OD1-NZ 3.21Å; S415-K417 VanDerWaalsContact C-N 3.3Å; S415-K417 PolarHBondContact O-N 3.14Å; K417-I419 PolarHBondContact O-N 3.16Å; K417-N420 CarbonylContact O-C 3.57Å; K417-N420 WeakPolarHBondContact O-CA 3.38Å; K417-N420 WeakPolarHBondContact O-CB 3.49Å; K417-N420 PolarHBondContact O-N 2.99Å; K417-E421 WeakPolarHBondContact O-CG 3.49Å; K417-E421 PolarHBondContact O-N 2.76Å
418E84.4Confident82.3Confident118 Ų11898.8 Ų98.855%0.55149%0.487SS*.Hα-helixtrans-56.1-49.4177.4-173.5171.3-147.700110.5D414 S415 N420 E421 E422D414-E418 PolarHBondContact O-N 3.05Å; S415-E418 WeakPolarHBondContact O-CB 3.49Å; S415-E418 PolarHBondContact O-N 3.06Å; E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.06Å; E418-E421 CarbonylContact O-C 3.55Å; E418-E421 WeakPolarHBondContact O-CA 3.33Å; E418-E421 WeakPolarHBondContact O-CB 3.35Å; E418-E421 PolarHBondContact O-N 2.86Å; E418-E422 WeakPolarHBondContact O-CG 3.28Å; E418-E422 PolarHBondContact O-N 3.29Å
419I84.1Confident80.7Confident72 Ų7298 Ų9837%0.36949%0.489SS..Hα-helixtrans-60.2-37.4173.7-66.2163.7000112S415 K417 E421 E422 L423S415-I419 WeakPolarHBondContact O-CB 3.35Å; S415-I419 VanDerWaalsContact O-CG1 3.29Å; S415-I419 WeakPolarHBondContact O-CG1 3.16Å; S415-I419 PolarHBondContact O-N 2.82Å; K417-I419 PolarHBondContact O-N 3.16Å; I419-E421 VanDerWaalsContact C-N 3.34Å; I419-E422 PolarHBondContact O-N 3.36Å; I419-L423 HydrophobicContact CG2-CD1 3.98Å; I419-L423 HydrophobicContact CG2-CG 4.38Å; I419-L423 VanDerWaalsContact O-CB 3.31Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 WeakPolarHBondContact O-CG 3.28Å; I419-L423 PolarHBondContact O-N 3.39Å
420N79.8Confident79Confident84 Ų8499.2 Ų99.245%0.44949%0.493SS..Hα-helixtrans-67.8-33.3174.5-94.7-95.4000112.7L416 K417 E418 R424L416-N420 WeakPolarHBondContact O-CB 3.46Å; L416-N420 PolarHBondContact O-N 2.91Å; L416-N420 VanDerWaalsContact O-N 3.08Å; L416-N420 PolarHBondContact O-ND2 3.17Å; K417-N420 CarbonylContact O-C 3.57Å; K417-N420 WeakPolarHBondContact O-CA 3.38Å; K417-N420 WeakPolarHBondContact O-CB 3.49Å; K417-N420 PolarHBondContact O-N 2.99Å; E418-N420 VanDerWaalsContact C-N 3.31Å; E418-N420 PolarHBondContact O-N 3.06Å; N420-R424 VanDerWaalsContact O-CG 3.28Å; N420-R424 WeakPolarHBondContact O-CG 3.44Å; N420-R424 PolarHBondContact O-N 3.39Å; N420-R424 VanDerWaalsContact O-N 3.1Å
421E83.1Confident77.2Confident120 Ų120102.4 Ų102.456%0.56151%0.511SS*.Hα-helixtrans-72.6-41.7175.1-71.7173.7-172.200110.8K417 E418 I419 R424 C425K417-E421 WeakPolarHBondContact O-CG 3.49Å; K417-E421 PolarHBondContact O-N 2.76Å; E418-E421 CarbonylContact O-C 3.55Å; E418-E421 WeakPolarHBondContact O-CA 3.33Å; E418-E421 WeakPolarHBondContact O-CB 3.35Å; E418-E421 PolarHBondContact O-N 2.86Å; I419-E421 VanDerWaalsContact C-N 3.34Å; E421-R424 PolarHBondContact O-N 3.13Å; E421-C425 PolarHBondContact O-N 3.31Å; E421-C425 PolarHBondContact O-SG 3.12Å; E421-C425 VanDerWaalsContact O-SG 3.35Å
422E81.1Confident75.2Confident120 Ų120104.9 Ų104.956%0.56152%0.519SS*.Hα-helixtrans-60.4-43170.6-70.3-17315400112.8E418 I419 R424 C425 T426E418-E422 WeakPolarHBondContact O-CG 3.28Å; E418-E422 PolarHBondContact O-N 3.29Å; I419-E422 PolarHBondContact O-N 3.36Å; E422-R424 VanDerWaalsContact C-N 3.33Å; E422-R424 PolarHBondContact O-N 2.96Å; E422-C425 PolarHBondContact O-N 2.84Å; E422-T426 PolarHBondContact O-N 3.32Å; E422-T426 PolarHBondContact O-OG1 3.19Å
423L75.4Confident73.2Confident92 Ų92106.4 Ų106.448%0.48253%0.53SS..Hα-helixtrans-64-36.4176-77170.3000112.1I419 T426 Q427I419-L423 HydrophobicContact CG2-CD1 3.98Å; I419-L423 HydrophobicContact CG2-CG 4.38Å; I419-L423 VanDerWaalsContact O-CB 3.31Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 WeakPolarHBondContact O-CG 3.28Å; I419-L423 PolarHBondContact O-N 3.39Å; L423-T426 WeakPolarHBondContact CA-OG1 3.32Å; L423-T426 PolarHBondContact O-OG1 3.02Å; L423-Q427 WeakPolarHBondContact O-CB 3.39Å; L423-Q427 VanDerWaalsContact O-CG 3.31Å; L423-Q427 WeakPolarHBondContact O-CG 3.49Å; L423-Q427 PolarHBondContact O-N 2.76Å
424R76.9Confident71Confident166 Ų166105.1 Ų105.163%0.62654%0.539SS*.Hα-helixtrans-68.6-39.6172.4-74.9169.6178174.31.3112N420 E421 E422 A428N420-R424 VanDerWaalsContact O-CG 3.28Å; N420-R424 WeakPolarHBondContact O-CG 3.44Å; N420-R424 PolarHBondContact O-N 3.39Å; N420-R424 VanDerWaalsContact O-N 3.1Å; E421-R424 PolarHBondContact O-N 3.13Å; E422-R424 VanDerWaalsContact C-N 3.33Å; E422-R424 PolarHBondContact O-N 2.96Å; R424-A428 WeakPolarHBondContact O-CB 3.12Å; R424-A428 PolarHBondContact O-N 3.27Å
425C68Low68.6Low83 Ų83111.3 Ų111.356%0.56157%0.566SS**Hα-helixtrans-65.4-40.9175.6-74.30000112.4E421 E422 A428 Q429E421-C425 PolarHBondContact O-N 3.31Å; E421-C425 PolarHBondContact O-SG 3.12Å; E421-C425 VanDerWaalsContact O-SG 3.35Å; E422-C425 PolarHBondContact O-N 2.84Å; C425-A428 PolarHBondContact O-N 3.36Å; C425-Q429 PolarHBondContact O-N 3.21Å
426T67.7Low66.1Low68 Ų68114.1 Ų114.142%0.41759%0.586SS.*Hα-helixtrans-71.3-37.3175.940.90000112.3E422 L423 A428 Q429 Q430E422-T426 PolarHBondContact O-N 3.32Å; E422-T426 PolarHBondContact O-OG1 3.19Å; L423-T426 WeakPolarHBondContact CA-OG1 3.32Å; L423-T426 PolarHBondContact O-OG1 3.02Å; T426-A428 PolarHBondContact O-N 3.01Å; T426-Q429 PolarHBondContact O-N 3.42Å; T426-Q430 WeakPolarHBondContact O-CB 3.32Å; T426-Q430 PolarHBondContact O-N 3.49Å
427Q64.1Low63.4Low127 Ų127112.5 Ų112.559%0.59359%0.594SS**Hα-helixtrans-59.2-44.4168.3-78.3177.6-13.600111.8L423 Q429 Q430 D431L423-Q427 WeakPolarHBondContact O-CB 3.39Å; L423-Q427 VanDerWaalsContact O-CG 3.31Å; L423-Q427 WeakPolarHBondContact O-CG 3.49Å; L423-Q427 PolarHBondContact O-N 2.76Å; Q427-Q429 VanDerWaalsContact C-N 3.32Å; Q427-Q429 PolarHBondContact O-N 3.42Å; Q427-Q430 PolarHBondContact O-N 2.94Å; Q427-Q430 VanDerWaalsContact O-N 3.09Å; Q427-D431 PolarHBondContact O-N 2.9Å
428A61Low60.9Low52 Ų52116.1 Ų116.143%0.4362%0.617SS.*Hα-helixtrans-64.4-31.7176.500000113.5R424 C425 T426R424-A428 WeakPolarHBondContact O-CB 3.12Å; R424-A428 PolarHBondContact O-N 3.27Å; C425-A428 PolarHBondContact O-N 3.36Å; T426-A428 PolarHBondContact O-N 3.01Å
429Q57.8Low58.9Low129 Ų129118.3 Ų118.360%0.60363%0.631SS**Hα-helixtrans-71.5-37.2169.9-77.4-177.1-30.200112.3C425 T426 Q427 Q432 L433C425-Q429 PolarHBondContact O-N 3.21Å; T426-Q429 PolarHBondContact O-N 3.42Å; Q427-Q429 VanDerWaalsContact C-N 3.32Å; Q427-Q429 PolarHBondContact O-N 3.42Å; Q429-Q432 PolarHBondContact O-N 3.46Å; Q429-L433 PolarHBondContact O-N 2.99Å
430Q56.1Low57.1Low135 Ų135121 Ų12163%0.63165%0.653SS**Hα-helixtrans-72.8-32.2-178.4-165.7151.7-9.600112.5T426 Q427 Q432 L433 S434T426-Q430 WeakPolarHBondContact O-CB 3.32Å; T426-Q430 PolarHBondContact O-N 3.49Å; Q427-Q430 PolarHBondContact O-N 2.94Å; Q427-Q430 VanDerWaalsContact O-N 3.09Å; Q430-Q432 VanDerWaalsContact C-N 3.34Å; Q430-Q432 PolarHBondContact O-N 2.63Å; Q430-L433 PolarHBondContact O-N 2.94Å; Q430-S434 PolarHBondContact O-N 2.87Å; Q430-S434 PolarHBondContact O-OG 3.18Å
431D52.4Low55.4Low128 Ų128123 Ų12368%0.68467%0.674SS**Hα-helixtrans-64.4-35.5171-79.9-18000112.3Q427Q427-D431 PolarHBondContact O-N 2.9Å
432Q50.3Low53.3Low166 Ų166120.6 Ų120.678%0.77668%0.681SS**Hα-helixtrans-72.7-27.3177.1-69.6-175.915.900113.5Q429 Q430Q429-Q432 PolarHBondContact O-N 3.46Å; Q430-Q432 VanDerWaalsContact C-N 3.34Å; Q430-Q432 PolarHBondContact O-N 2.63Å
433L47Very low51.3Low146 Ų146120.7 Ų120.776%0.76470%0.695SS**Hα-helixtrans-87.5-6.7179.3-72.3163.5000113.5Q429 Q430 Q435Q429-L433 PolarHBondContact O-N 2.99Å; Q430-L433 PolarHBondContact O-N 2.94Å; L433-Q435 VanDerWaalsContact C-N 3.29Å; L433-Q435 PolarHBondContact O-N 3.33Å
434S44.8Very low49.9Very low89 Ų89122.2 Ų122.262%0.62271%0.71SS**THydrogen-bonded Turntrans-82.52.4-176.7-65.50000114.8Q430Q430-S434 PolarHBondContact O-N 2.87Å; Q430-S434 PolarHBondContact O-OG 3.18Å
435Q39.9Very low48.2Very low189 Ų189119.9 Ų119.988%0.88372%0.72SS**SBendtrans-103.727.4-173.2-143.717772.600115L433L433-Q435 VanDerWaalsContact C-N 3.29Å; L433-Q435 PolarHBondContact O-N 3.33Å
436S36.6Very low47.1Very low110 Ų110124.8 Ų124.877%0.76973%0.734SS**SBendtrans-155.7121.9161.6-168.30000109.8
437G32.4Very low45.8Very low69 Ų69129 Ų12971%0.71175%0.754SS**  trans-92.1141.1-166.600000115.1
438I37.1Very low45.1Very low176 Ų176130 Ų13090%0.90376%0.764SS**  trans-178.1145.6135-89.5150.1000108.6
439L42.3Very low44.4Very low164 Ų164135 Ų13586%0.85978%0.782SS**  trans-65.8171.5-175.4-65.4161.7000113.8
440P45.4Very low44Very low128 Ų128133.4 Ų133.483%0.83179%0.791SS**  cis-140-160.216.942.4-20.9000116.5
441S44.3Very low44Very low126 Ų126131.3 Ų131.388%0.88180%0.796SS**  trans-116.6151.8-170166.20000114.3
442G38.3Very low44Very low70 Ų70133 Ų13372%0.72280%0.801SS**  trans143.2125.1141.300000121.5
443S39.5Very low44.1Very low121 Ų121132.7 Ų132.785%0.84680%0.803SS**  trans101130.6143.2-147.20000122.5
444P46.8Very low44.6Very low124 Ų124130.7 Ų130.781%0.80579%0.792SS**  trans-112.3-166.7155.637.4-24.7000113.4
445S40.8Very low45.7Very low118 Ų118129.7 Ų129.783%0.82578%0.784SS**  trans-116.8172.2-142.4560000119.7
446H45.1Very low46.8Very low186 Ų186126.2 Ų126.286%0.86177%0.77SS**  trans-80.6164.7-178.3-73.2-109.9000116
447D39.6Very low48.3Very low155 Ų155127.3 Ų127.383%0.82976%0.763SS**  trans-158.2167.8134.7-135.2-24.4000115.5
448N48.8Very low49.9Very low150 Ų150131.5 Ų131.580%0.80276%0.758SS**  trans80.195.3173.9-69.7-44.3000120.5
449L46.5Very low51.4Low157 Ų157128.6 Ų128.682%0.82274%0.736SS**  trans-132.85.1168.2-173.455.3000113.8A451L449-A451 PolarHBondContact O-N 2.98Å
450A49.1Very low52.7Low94 Ų94125.4 Ų125.478%0.77772%0.717SS**THydrogen-bonded Turntrans-84.2-8-161.400000117.2
451A56.9Low54.1Low91 Ų91125.8 Ų125.875%0.75271%0.705SS**THydrogen-bonded Turntrans-86.4-20-16700000116L449L449-A451 PolarHBondContact O-N 2.98Å
452E51.9Low55.6Low165 Ų165123.3 Ų123.377%0.77169%0.685SS**SBendtrans-90.7-13-167.8-77.9-170.6135.200115.7I454E452-I454 PolarHBondContact O-N 3.23Å
453L53Low57.5Low159 Ų159124.9 Ų124.983%0.83268%0.676SS**  trans-86.76.3-162.4-121.176.9000117.7
454I58.1Low59.3Low103 Ų103127 Ų12753%0.52867%0.665SS.*  trans-96.4126.1-173.6-59.6174.2000111.7E452 R459E452-I454 PolarHBondContact O-N 3.23Å; I454-R459 PolarHBondContact O-NH1 3.41Å; I454-R459 VanDerWaalsContact O-NH1 3.15Å; I454-R459 PolarHBondContact O-NH2 2.96Å
455P67.9Low60.9Low69 Ų69124.9 Ų124.945%0.44865%0.647SS.*  trans-65.1160.6-178.7-22.133.1000115.8Y458 R459P455-Y458 HydrophobicContact CB-CD2 4.16Å; P455-Y458 HydrophobicContact CG-CD2 4.38Å; P455-Y458 PolarHBondContact O-N 2.9Å; P455-R459 PolarHBondContact O-N 2.92Å
456I63.5Low62.5Low116 Ų116125 Ų12560%0.59563%0.634SS**Hα-helixtrans-71.8-35.6-166.7-65174.2000112.7Y458 R459 E460I456-Y458 VanDerWaalsContact C-N 3.26Å; I456-Y458 PolarHBondContact O-N 3.09Å; I456-R459 WeakPolarHBondContact O-CA 3.07Å; I456-R459 WeakPolarHBondContact O-CB 3.33Å; I456-R459 PolarHBondContact O-N 3.17Å; I456-E460 PolarHBondContact O-N 2.94Å
457E67.2Low64Low133 Ų133122.6 Ų122.662%0.62162%0.623SS**Hα-helixtrans-64.3-34.8-179.1-55.971.5-157.400111K461E457-K461 WeakPolarHBondContact O-CB 3.31Å; E457-K461 PolarHBondContact O-N 3.2Å
458Y66.8Low65.9Low156 Ų156120.5 Ų120.561%0.61261%0.608SS**Hα-helixtrans-71.3-37172.5-68-81.6000111.7P455 I456 K461 V462P455-Y458 HydrophobicContact CB-CD2 4.16Å; P455-Y458 HydrophobicContact CG-CD2 4.38Å; P455-Y458 PolarHBondContact O-N 2.9Å; I456-Y458 VanDerWaalsContact C-N 3.26Å; I456-Y458 PolarHBondContact O-N 3.09Å; Y458-K461 PolarHBondContact O-N 3.32Å; Y458-V462 WeakPolarHBondContact O-CB 3.42Å; Y458-V462 VanDerWaalsContact O-CG2 3.22Å; Y458-V462 WeakPolarHBondContact O-CG2 3.49Å; Y458-V462 PolarHBondContact O-N 3.02Å
459R67.9Low67.3Low115 Ų115117.7 Ų117.743%0.43459%0.593SS.*Hα-helixtrans-62.7-43.6172.6-73.8-169.9-91.4-114.41.2111.9I454 P455 I456 V462 I463I454-R459 PolarHBondContact O-NH1 3.41Å; I454-R459 VanDerWaalsContact O-NH1 3.15Å; I454-R459 PolarHBondContact O-NH2 2.96Å; P455-R459 PolarHBondContact O-N 2.92Å; I456-R459 WeakPolarHBondContact O-CA 3.07Å; I456-R459 WeakPolarHBondContact O-CB 3.33Å; I456-R459 PolarHBondContact O-N 3.17Å; R459-V462 PolarHBondContact O-N 3.28Å; R459-I463 WeakPolarHBondContact O-CG1 3.46Å; R459-I463 PolarHBondContact O-N 3.42Å
460E68.8Low69Low98 Ų98117.3 Ų117.346%0.45859%0.585SS.*Hα-helixtrans-66.8-42177.8-154.5-158.414300111.9I456 V462 I463 R464I456-E460 PolarHBondContact O-N 2.94Å; E460-V462 VanDerWaalsContact C-N 3.32Å; E460-V462 PolarHBondContact O-N 2.97Å; E460-I463 PolarHBondContact O-N 3.01Å; E460-R464 WeakPolarHBondContact O-CG 3.4Å; E460-R464 PolarHBondContact O-N 2.88Å; E460-R464 IonicContact OE1-CZ 3.3Å; E460-R464 VanDerWaalsContact OE1-CZ 3.23Å; E460-R464 IonicContact OE1-NE 3.08Å; E460-R464 PolarHBondContact OE1-NE 2.88Å; E460-R464 IonicContact OE1-NH2 2.65Å; E460-R464 PolarHBondContact OE1-NH2 3.1Å; E460-R464 IonicContact OE2-NH2 3.89Å
461K75.6Confident70.4Confident135 Ų135117.4 Ų117.459%0.58757%0.572SS**Hα-helixtrans-62.3-38.7174.2-172.2169.8-178.7175.40112.1E457 Y458 R464 L465E457-K461 WeakPolarHBondContact O-CB 3.31Å; E457-K461 PolarHBondContact O-N 3.2Å; Y458-K461 PolarHBondContact O-N 3.32Å; K461-R464 PolarHBondContact O-N 3.45Å; K461-L465 HydrophobicContact CG-CD1 4.02Å; K461-L465 HydrophobicContact CG-CG 4.5Å; K461-L465 WeakPolarHBondContact O-CB 3.47Å; K461-L465 VanDerWaalsContact O-CG 3.27Å; K461-L465 WeakPolarHBondContact O-CG 3.35Å; K461-L465 PolarHBondContact O-N 2.92Å
462V76.1Confident71.5Confident74 Ų74117.5 Ų117.545%0.44856%0.559SS.*Hα-helixtrans-62.7-43.3172.5165.10000111.2Y458 R459 E460 L465 Q466Y458-V462 WeakPolarHBondContact O-CB 3.42Å; Y458-V462 VanDerWaalsContact O-CG2 3.22Å; Y458-V462 WeakPolarHBondContact O-CG2 3.49Å; Y458-V462 PolarHBondContact O-N 3.02Å; R459-V462 PolarHBondContact O-N 3.28Å; E460-V462 VanDerWaalsContact C-N 3.32Å; E460-V462 PolarHBondContact O-N 2.97Å; V462-L465 PolarHBondContact O-N 3.16Å; V462-Q466 HydrophobicContact CG1-CG 4.28Å; V462-Q466 VanDerWaalsContact O-CB 3.29Å; V462-Q466 WeakPolarHBondContact O-CB 3.27Å; V462-Q466 WeakPolarHBondContact O-CG 3.45Å; V462-Q466 PolarHBondContact O-N 2.89Å
463I77.8Confident72.9Confident104 Ų104117.4 Ų117.453%0.53355%0.552SS.*Hα-helixtrans-65-43177.7-68.9164.7000111.7R459 E460 Q466 H467R459-I463 WeakPolarHBondContact O-CG1 3.46Å; R459-I463 PolarHBondContact O-N 3.42Å; E460-I463 PolarHBondContact O-N 3.01Å; I463-Q466 PolarHBondContact O-N 2.89Å; I463-H467 PolarHBondContact O-N 3.36Å
464R77.8Confident74.3Confident164 Ų164112.5 Ų112.562%0.61953%0.528SS*.Hα-helixtrans-63.7-45.4175.6-64.9-170-157.3176.17.2111.5E460 K461 Q466 H467 E468E460-R464 WeakPolarHBondContact O-CG 3.4Å; E460-R464 PolarHBondContact O-N 2.88Å; E460-R464 IonicContact OE1-CZ 3.3Å; E460-R464 VanDerWaalsContact OE1-CZ 3.23Å; E460-R464 IonicContact OE1-NE 3.08Å; E460-R464 PolarHBondContact OE1-NE 2.88Å; E460-R464 IonicContact OE1-NH2 2.65Å; E460-R464 PolarHBondContact OE1-NH2 3.1Å; E460-R464 IonicContact OE2-NH2 3.89Å; K461-R464 PolarHBondContact O-N 3.45Å; R464-Q466 VanDerWaalsContact C-N 3.3Å; R464-Q466 PolarHBondContact O-N 2.87Å; R464-H467 PolarHBondContact O-N 3.24Å; R464-E468 WeakPolarHBondContact O-CB 3.5Å; R464-E468 PolarHBondContact O-N 3.32Å
465L79.3Confident75.2Confident81 Ų81112.8 Ų112.842%0.42453%0.527SS..Hα-helixtrans-64.7-31.9175.7-73.9170.5000112.8K461 V462 N469K461-L465 HydrophobicContact CG-CD1 4.02Å; K461-L465 HydrophobicContact CG-CG 4.5Å; K461-L465 WeakPolarHBondContact O-CB 3.47Å; K461-L465 VanDerWaalsContact O-CG 3.27Å; K461-L465 WeakPolarHBondContact O-CG 3.35Å; K461-L465 PolarHBondContact O-N 2.92Å; V462-L465 PolarHBondContact O-N 3.16Å; L465-N469 VanDerWaalsContact O-CB 3.27Å; L465-N469 WeakPolarHBondContact O-CB 3.38Å; L465-N469 PolarHBondContact O-N 3.39Å; L465-N469 PolarHBondContact O-ND2 3.02Å
466Q75.4Confident75.8Confident121 Ų121114.7 Ų114.757%0.56553%0.53SS*.Hα-helixtrans-68.8-39.4171.8-79.9171.7-1500111.8V462 I463 R464 K470V462-Q466 HydrophobicContact CG1-CG 4.28Å; V462-Q466 VanDerWaalsContact O-CB 3.29Å; V462-Q466 WeakPolarHBondContact O-CB 3.27Å; V462-Q466 WeakPolarHBondContact O-CG 3.45Å; V462-Q466 PolarHBondContact O-N 2.89Å; I463-Q466 PolarHBondContact O-N 2.89Å; R464-Q466 VanDerWaalsContact C-N 3.3Å; R464-Q466 PolarHBondContact O-N 2.87Å; Q466-K470 WeakPolarHBondContact O-CB 3.3Å; Q466-K470 PolarHBondContact O-N 3.31Å
467H75.2Confident76.7Confident134 Ų134114 Ų11462%0.6253%0.525SS*.Hα-helixtrans-68.5-43175.6-170.873.4000111.8I463 R464 K470 L471I463-H467 PolarHBondContact O-N 3.36Å; R464-H467 PolarHBondContact O-N 3.24Å; H467-K470 WeakPolarHBondContact O-CB 3.03Å; H467-K470 PolarHBondContact O-N 2.97Å; H467-L471 PolarHBondContact O-N 2.95Å
468E81.4Confident77.3Confident112 Ų112113.3 Ų113.352%0.52352%0.521SS..Hα-helixtrans-63.1-44.3173.8-170.6175.6-174.300111.5R464 K470 L471 L472R464-E468 WeakPolarHBondContact O-CB 3.5Å; R464-E468 PolarHBondContact O-N 3.32Å; E468-K470 VanDerWaalsContact C-N 3.29Å; E468-K470 PolarHBondContact O-N 3.02Å; E468-L471 PolarHBondContact O-N 2.98Å; E468-L472 HydrophobicContact CG-CD1 4.18Å; E468-L472 WeakPolarHBondContact O-CB 3.38Å; E468-L472 WeakPolarHBondContact O-CG 3.5Å; E468-L472 PolarHBondContact O-N 3.04Å
469N77.6Confident78.1Confident91 Ų91112.9 Ų112.949%0.48752%0.52SS..Hα-helixtrans-58.3-39.7170.7-106.1-101000112.4L465 R473L465-N469 VanDerWaalsContact O-CB 3.27Å; L465-N469 WeakPolarHBondContact O-CB 3.38Å; L465-N469 PolarHBondContact O-N 3.39Å; L465-N469 PolarHBondContact O-ND2 3.02Å; N469-R473 WeakPolarHBondContact O-CB 3.31Å; N469-R473 WeakPolarHBondContact O-CG 3.44Å; N469-R473 PolarHBondContact O-N 3.37Å
470K81.4Confident78.8Confident149 Ų149111.6 Ų111.665%0.64852%0.519SS*.Hα-helixtrans-66.9-41.3178.7-169.4-179.5-178.7-176.30111.2Q466 H467 E468 R473 V474Q466-K470 WeakPolarHBondContact O-CB 3.3Å; Q466-K470 PolarHBondContact O-N 3.31Å; H467-K470 WeakPolarHBondContact O-CB 3.03Å; H467-K470 PolarHBondContact O-N 2.97Å; E468-K470 VanDerWaalsContact C-N 3.29Å; E468-K470 PolarHBondContact O-N 3.02Å; K470-R473 PolarHBondContact O-N 3.1Å; K470-V474 WeakPolarHBondContact O-CG2 3.45Å; K470-V474 PolarHBondContact O-N 3.06Å; K470-V474 VanDerWaalsContact O-N 3.08Å
471L79.7Confident79.5Confident95 Ų95113 Ų11350%0.49753%0.525SS..Hα-helixtrans-68.4-44177.7-169.867000111.7H467 E468 R473 V474 Q475H467-L471 PolarHBondContact O-N 2.95Å; E468-L471 PolarHBondContact O-N 2.98Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 2.94Å; L471-V474 PolarHBondContact O-N 3.15Å; L471-Q475 PolarHBondContact O-N 2.76Å
472L79.5Confident79.9Confident94 Ų94113 Ų11349%0.49253%0.528SS..Hα-helixtrans-61.8-36.9174.4-72.2170000112E468 Q475 Q476E468-L472 HydrophobicContact CG-CD1 4.18Å; E468-L472 WeakPolarHBondContact O-CB 3.38Å; E468-L472 WeakPolarHBondContact O-CG 3.5Å; E468-L472 PolarHBondContact O-N 3.04Å; L472-Q475 PolarHBondContact O-N 3.46Å; L472-Q476 VanDerWaalsContact O-CB 3.29Å; L472-Q476 WeakPolarHBondContact O-CB 3.47Å; L472-Q476 PolarHBondContact O-N 3.14Å
473R81.9Confident80.5Confident162 Ų162114.9 Ų114.961%0.61153%0.53SS*.Hα-helixtrans-63-45.1172-86.1-176.5169.7164.7-2.2112.8N469 K470 L471 Q476 E477N469-R473 WeakPolarHBondContact O-CB 3.31Å; N469-R473 WeakPolarHBondContact O-CG 3.44Å; N469-R473 PolarHBondContact O-N 3.37Å; K470-R473 PolarHBondContact O-N 3.1Å; L471-R473 VanDerWaalsContact C-N 3.3Å; L471-R473 PolarHBondContact O-N 2.94Å; R473-Q476 PolarHBondContact O-N 2.73Å; R473-E477 WeakPolarHBondContact O-CB 3.32Å; R473-E477 VanDerWaalsContact O-CG 3.29Å; R473-E477 WeakPolarHBondContact O-CG 3.09Å; R473-E477 PolarHBondContact O-N 3.08Å
474V80.9Confident80.9Confident57 Ų57114.2 Ų114.235%0.34553%0.526SS..Hα-helixtrans-63.4-43.3177.3173.20000111K470 L471 Q476 E477 E478K470-V474 WeakPolarHBondContact O-CG2 3.45Å; K470-V474 PolarHBondContact O-N 3.06Å; K470-V474 VanDerWaalsContact O-N 3.08Å; L471-V474 PolarHBondContact O-N 3.15Å; V474-Q476 VanDerWaalsContact C-N 3.31Å; V474-Q476 PolarHBondContact O-N 3.38Å; V474-E477 PolarHBondContact O-N 3.41Å; V474-E478 HydrophobicContact CG1-CG 4.44Å; V474-E478 WeakPolarHBondContact O-CB 3.39Å; V474-E478 WeakPolarHBondContact O-CG 3.37Å; V474-E478 PolarHBondContact O-N 3.46Å
475Q78.4Confident81.3Confident108 Ų108108.6 Ų108.651%0.50551%0.514SS..Hα-helixtrans-64.6-35175.8-71.1-179.8-2100112.7L471 L472 Y479L471-Q475 PolarHBondContact O-N 2.76Å; L472-Q475 PolarHBondContact O-N 3.46Å; Q475-Y479 WeakPolarHBondContact O-CB 3.45Å; Q475-Y479 PolarHBondContact O-N 3.46Å
476Q80Confident81.7Confident109 Ų109108.2 Ų108.251%0.50952%0.516SS..Hα-helixtrans-68.9-42.2172.9-176177.3-13.700111.4L472 R473 V474 Y479 E480L472-Q476 VanDerWaalsContact O-CB 3.29Å; L472-Q476 WeakPolarHBondContact O-CB 3.47Å; L472-Q476 PolarHBondContact O-N 3.14Å; R473-Q476 PolarHBondContact O-N 2.73Å; V474-Q476 VanDerWaalsContact C-N 3.31Å; V474-Q476 PolarHBondContact O-N 3.38Å; Q476-Y479 PolarHBondContact O-N 3.18Å; Q476-E480 HydrophobicContact CG-CG 4.4Å; Q476-E480 WeakPolarHBondContact CG-OE1 3.15Å; Q476-E480 PolarHBondContact NE2-OE1 3.38Å; Q476-E480 VanDerWaalsContact O-CB 3.29Å; Q476-E480 WeakPolarHBondContact O-CB 3.32Å; Q476-E480 VanDerWaalsContact O-CG 3.28Å; Q476-E480 WeakPolarHBondContact O-CG 2.91Å; Q476-E480 PolarHBondContact O-N 3.37Å
477E82.8Confident82.3Confident103 Ų103106.9 Ų106.948%0.48151%0.512SS..Hα-helixtrans-63-40175.3-75.2167.4-161.800111.7R473 V474 E480 Q481R473-E477 WeakPolarHBondContact O-CB 3.32Å; R473-E477 VanDerWaalsContact O-CG 3.29Å; R473-E477 WeakPolarHBondContact O-CG 3.09Å; R473-E477 PolarHBondContact O-N 3.08Å; V474-E477 PolarHBondContact O-N 3.41Å; E477-E480 PolarHBondContact O-N 3.15Å; E477-Q481 WeakPolarHBondContact O-CB 3.32Å; E477-Q481 WeakPolarHBondContact O-CG 3.45Å; E477-Q481 PolarHBondContact O-N 3.39Å
478E79.9Confident82.7Confident117 Ų117105.8 Ų105.855%0.54751%0.507SS..Hα-helixtrans-65.3-45.5174.3-74.2173.7168.300111.7V474 Q481 E482V474-E478 HydrophobicContact CG1-CG 4.44Å; V474-E478 WeakPolarHBondContact O-CB 3.39Å; V474-E478 WeakPolarHBondContact O-CG 3.37Å; V474-E478 PolarHBondContact O-N 3.46Å; E478-Q481 PolarHBondContact O-N 3.31Å; E478-E482 PolarHBondContact O-N 3.29Å
479Y82.3Confident83.1Confident147 Ų147104.1 Ų104.158%0.57651%0.505SS*.Hα-helixtrans-64.4-39175178.2-102.4000112.4Q475 Q476 K483Q475-Y479 WeakPolarHBondContact O-CB 3.45Å; Q475-Y479 PolarHBondContact O-N 3.46Å; Q476-Y479 PolarHBondContact O-N 3.18Å; Y479-K483 HydrophobicContact CE1-CD 4.5Å; Y479-K483 VanDerWaalsContact O-CB 3.23Å; Y479-K483 WeakPolarHBondContact O-CB 3.48Å; Y479-K483 PolarHBondContact O-N 3.14Å
480E83.7Confident83.5Confident89 Ų89105.6 Ų105.642%0.41651%0.509SS..Hα-helixtrans-67.2-37.5174.3-76176-167.200111.3Q476 E477 K483 I484Q476-E480 HydrophobicContact CG-CG 4.4Å; Q476-E480 WeakPolarHBondContact CG-OE1 3.15Å; Q476-E480 PolarHBondContact NE2-OE1 3.38Å; Q476-E480 VanDerWaalsContact O-CB 3.29Å; Q476-E480 WeakPolarHBondContact O-CB 3.32Å; Q476-E480 VanDerWaalsContact O-CG 3.28Å; Q476-E480 WeakPolarHBondContact O-CG 2.91Å; Q476-E480 PolarHBondContact O-N 3.37Å; E477-E480 PolarHBondContact O-N 3.15Å; E480-K483 PolarHBondContact O-N 3.44Å; E480-I484 WeakPolarHBondContact O-CB 3.42Å; E480-I484 WeakPolarHBondContact O-CD1 3.27Å; E480-I484 WeakPolarHBondContact O-CG1 3.33Å; E480-I484 PolarHBondContact O-N 2.87Å
481Q82.8Confident83.9Confident127 Ų127103.1 Ų103.159%0.59350%0.502SS*.Hα-helixtrans-65.4-44.8173.2-77.5172.433.200112.7E477 E478 K483 I484 A485E477-Q481 WeakPolarHBondContact O-CB 3.32Å; E477-Q481 WeakPolarHBondContact O-CG 3.45Å; E477-Q481 PolarHBondContact O-N 3.39Å; E478-Q481 PolarHBondContact O-N 3.31Å; Q481-K483 VanDerWaalsContact C-N 3.31Å; Q481-K483 PolarHBondContact O-N 3.13Å; Q481-I484 PolarHBondContact O-N 3.15Å; Q481-A485 WeakPolarHBondContact O-CB 3.38Å; Q481-A485 PolarHBondContact O-N 3.34Å
482E85Confident84.3Confident136 Ų136104.7 Ų104.764%0.63651%0.507SS*.Hα-helixtrans-64.9-37.3176.4-169.4174.8-15200111.4E478 A485 T486E478-E482 PolarHBondContact O-N 3.29Å; E482-A485 PolarHBondContact O-N 3.18Å; E482-T486 WeakPolarHBondContact O-CG2 3.33Å; E482-T486 PolarHBondContact O-N 3.1Å; E482-T486 PolarHBondContact O-OG1 2.91Å
483K88.2Confident84.8Confident113 Ų113106.5 Ų106.549%0.49151%0.513SS..Hα-helixtrans-67.2-38.8172.3-170.3177.1-179.3-177.90112.7Y479 E480 Q481 T486 L487Y479-K483 HydrophobicContact CE1-CD 4.5Å; Y479-K483 VanDerWaalsContact O-CB 3.23Å; Y479-K483 WeakPolarHBondContact O-CB 3.48Å; Y479-K483 PolarHBondContact O-N 3.14Å; E480-K483 PolarHBondContact O-N 3.44Å; Q481-K483 VanDerWaalsContact C-N 3.31Å; Q481-K483 PolarHBondContact O-N 3.13Å; K483-T486 WeakPolarHBondContact CA-OG1 3.18Å; K483-T486 PolarHBondContact O-OG1 2.97Å; K483-T486 VanDerWaalsContact O-OG1 3.05Å; K483-L487 HydrophobicContact CG-CD1 4.21Å; K483-L487 WeakPolarHBondContact O-CB 3.19Å; K483-L487 WeakPolarHBondContact O-CD1 3.38Å; K483-L487 WeakPolarHBondContact O-CG 3.36Å; K483-L487 PolarHBondContact O-N 2.65Å
484I86.2Confident85Confident90 Ų90101.1 Ų101.146%0.46250%0.503SS..Hα-helixtrans-65.9-44.1174-74162.2000110.2E480 Q481 L487 Q488E480-I484 WeakPolarHBondContact O-CB 3.42Å; E480-I484 WeakPolarHBondContact O-CD1 3.27Å; E480-I484 WeakPolarHBondContact O-CG1 3.33Å; E480-I484 PolarHBondContact O-N 2.87Å; Q481-I484 PolarHBondContact O-N 3.15Å; I484-L487 PolarHBondContact O-N 3.42Å; I484-Q488 HydrophobicContact CG2-CG 4.34Å; I484-Q488 WeakPolarHBondContact O-CB 3.2Å; I484-Q488 VanDerWaalsContact O-CG 3.3Å; I484-Q488 WeakPolarHBondContact O-CG 3.18Å; I484-Q488 PolarHBondContact O-N 3.2Å
485A86.6Confident85.2Confident45 Ų45104 Ų10437%0.37251%0.513SS..Hα-helixtrans-61.9-45.3178.800000112Q481 E482 Q488 T489Q481-A485 WeakPolarHBondContact O-CB 3.38Å; Q481-A485 PolarHBondContact O-N 3.34Å; E482-A485 PolarHBondContact O-N 3.18Å; A485-Q488 WeakPolarHBondContact O-CB 3.33Å; A485-Q488 PolarHBondContact O-N 2.88Å; A485-T489 PolarHBondContact O-N 3.09Å; A485-T489 PolarHBondContact O-OG1 3.09Å
486T87.6Confident85.7Confident73 Ų73105.5 Ų105.545%0.44852%0.518SS..Hα-helixtrans-65.8-37.3175.847.20000112.7E482 K483 T489 Q490E482-T486 WeakPolarHBondContact O-CG2 3.33Å; E482-T486 PolarHBondContact O-N 3.1Å; E482-T486 PolarHBondContact O-OG1 2.91Å; K483-T486 WeakPolarHBondContact CA-OG1 3.18Å; K483-T486 PolarHBondContact O-OG1 2.97Å; K483-T486 VanDerWaalsContact O-OG1 3.05Å; T486-T489 PolarHBondContact O-N 3.31Å; T486-Q490 WeakPolarHBondContact O-CG 3.18Å; T486-Q490 PolarHBondContact O-N 3.49Å
487L86.6Confident86Confident94 Ų94103.7 Ų103.749%0.49251%0.514SS..Hα-helixtrans-67.2-35.1171.8-74170.1000112.6K483 I484 Q490 L491K483-L487 HydrophobicContact CG-CD1 4.21Å; K483-L487 WeakPolarHBondContact O-CB 3.19Å; K483-L487 WeakPolarHBondContact O-CD1 3.38Å; K483-L487 WeakPolarHBondContact O-CG 3.36Å; K483-L487 PolarHBondContact O-N 2.65Å; I484-L487 PolarHBondContact O-N 3.42Å; L487-Q490 PolarHBondContact O-N 3.17Å; L487-L491 WeakPolarHBondContact O-CB 3.48Å; L487-L491 PolarHBondContact O-N 3.48Å
488Q84.8Confident86.2Confident110 Ų110104.2 Ų104.251%0.51452%0.516SS..Hα-helixtrans-64.7-43.6172.9-77170.6-21.100111.1I484 A485 Q490 L491 E492I484-Q488 HydrophobicContact CG2-CG 4.34Å; I484-Q488 WeakPolarHBondContact O-CB 3.2Å; I484-Q488 VanDerWaalsContact O-CG 3.3Å; I484-Q488 WeakPolarHBondContact O-CG 3.18Å; I484-Q488 PolarHBondContact O-N 3.2Å; A485-Q488 WeakPolarHBondContact O-CB 3.33Å; A485-Q488 PolarHBondContact O-N 2.88Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.11Å; Q488-L491 PolarHBondContact O-N 3.27Å; Q488-E492 WeakPolarHBondContact O-CG 3.41Å; Q488-E492 PolarHBondContact O-N 3.44Å
489T88.6Confident86.6Confident78 Ų78101.9 Ų101.948%0.47951%0.513SS..Hα-helixtrans-62.3-41.6175.7-35.90000111.5A485 T486 L491 E492 E493A485-T489 PolarHBondContact O-N 3.09Å; A485-T489 PolarHBondContact O-OG1 3.09Å; T486-T489 PolarHBondContact O-N 3.31Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-E492 PolarHBondContact O-N 3.12Å; T489-E493 PolarHBondContact O-N 3.29Å
490Q87.5Confident86.9Confident122 Ų122100.5 Ų100.557%0.5751%0.51SS*.Hα-helixtrans-66.1-35.4175.3-72.7177.65.400112.6T486 L487 Q488 A494T486-Q490 WeakPolarHBondContact O-CG 3.18Å; T486-Q490 PolarHBondContact O-N 3.49Å; L487-Q490 PolarHBondContact O-N 3.17Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 3.11Å; Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 2.96Å
491L89.2Confident87Confident97 Ų97101.3 Ų101.351%0.50852%0.517SS..Hα-helixtrans-67.5-44.3174.2-175.864.4000111.1L487 Q488 T489 E493 A494 E495L487-L491 WeakPolarHBondContact O-CB 3.48Å; L487-L491 PolarHBondContact O-N 3.48Å; Q488-L491 PolarHBondContact O-N 3.27Å; T489-L491 VanDerWaalsContact C-N 3.34Å; L491-E493 VanDerWaalsContact C-N 3.34Å; L491-E493 PolarHBondContact O-N 3.2Å; L491-A494 CarbonylContact O-C 3.58Å; L491-A494 WeakPolarHBondContact O-CB 3.28Å; L491-A494 PolarHBondContact O-N 3.1Å; L491-A494 VanDerWaalsContact O-N 3.17Å; L491-E495 HydrophobicContact CD1-CG 4.43Å; L491-E495 HydrophobicContact CG-CG 4.45Å; L491-E495 WeakPolarHBondContact O-CB 3.29Å; L491-E495 WeakPolarHBondContact O-CG 3.35Å; L491-E495 PolarHBondContact O-N 3.36Å
492E89.1Confident87Confident128 Ų12899.1 Ų99.160%0.59851%0.509SS*.Hα-helixtrans-61.8-39174.9-73.1178.5-169.400112.1Q488 T489 K496Q488-E492 WeakPolarHBondContact O-CG 3.41Å; Q488-E492 PolarHBondContact O-N 3.44Å; T489-E492 PolarHBondContact O-N 3.12Å; E492-K496 WeakPolarHBondContact O-CB 3.46Å; E492-K496 PolarHBondContact O-N 3.26Å
493E89.3Confident87.1Confident131 Ų13195.6 Ų95.661%0.61250%0.497SS*.Hα-helixtrans-68.6-37.6172.6-72.8-167.4143.700112.7T489 L491 K496 T497T489-E493 PolarHBondContact O-N 3.29Å; L491-E493 VanDerWaalsContact C-N 3.34Å; L491-E493 PolarHBondContact O-N 3.2Å; E493-K496 PolarHBondContact O-N 2.59Å; E493-T497 WeakPolarHBondContact O-CB 3.45Å; E493-T497 WeakPolarHBondContact O-CG2 3.34Å; E493-T497 PolarHBondContact O-N 3.33Å; E493-T497 PolarHBondContact O-OG1 3.19Å
494A85.9Confident87Confident50 Ų5096.1 Ų96.141%0.41350%0.501SS..Hα-helixtrans-65.7-43173.600000112Q490 L491 T497 H498Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 2.96Å; L491-A494 CarbonylContact O-C 3.58Å; L491-A494 WeakPolarHBondContact O-CB 3.28Å; L491-A494 PolarHBondContact O-N 3.1Å; L491-A494 VanDerWaalsContact O-N 3.17Å; A494-T497 WeakPolarHBondContact CA-OG1 3.48Å; A494-T497 PolarHBondContact O-N 3.35Å; A494-T497 PolarHBondContact O-OG1 3.06Å; A494-H498 VanDerWaalsContact O-CB 3.26Å; A494-H498 WeakPolarHBondContact O-CB 3.19Å; A494-H498 PolarHBondContact O-N 3.12Å
495E85.6Confident86.8Confident116 Ų11696.4 Ų96.454%0.54250%0.504SS..Hα-helixtrans-67.2-38.8175-74-179.8175.600111.6L491 H498 S499L491-E495 HydrophobicContact CD1-CG 4.43Å; L491-E495 HydrophobicContact CG-CG 4.45Å; L491-E495 WeakPolarHBondContact O-CB 3.29Å; L491-E495 WeakPolarHBondContact O-CG 3.35Å; L491-E495 PolarHBondContact O-N 3.36Å; E495-H498 PolarHBondContact O-N 3.37Å; E495-S499 VanDerWaalsContact O-CB 3.24Å; E495-S499 WeakPolarHBondContact O-CB 2.84Å; E495-S499 PolarHBondContact O-N 3.44Å
496K88.5Confident87Confident140 Ų140101.2 Ų101.261%0.60951%0.512SS*.Hα-helixtrans-68.2-34.4175.3-174175.9-174175.50112.4E492 E493 K500E492-K496 WeakPolarHBondContact O-CB 3.46Å; E492-K496 PolarHBondContact O-N 3.26Å; E493-K496 PolarHBondContact O-N 2.59Å; K496-K500 VanDerWaalsContact O-CG 3.3Å; K496-K500 WeakPolarHBondContact O-CG 3.45Å; K496-K500 PolarHBondContact O-N 3.42Å
497T86.4Confident87Confident72 Ų72102.4 Ų102.444%0.44252%0.515SS..Hα-helixtrans-75.9-38.6172.647.40000111.7E493 A494 K500 L501E493-T497 WeakPolarHBondContact O-CB 3.45Å; E493-T497 WeakPolarHBondContact O-CG2 3.34Å; E493-T497 PolarHBondContact O-N 3.33Å; E493-T497 PolarHBondContact O-OG1 3.19Å; A494-T497 WeakPolarHBondContact CA-OG1 3.48Å; A494-T497 PolarHBondContact O-N 3.35Å; A494-T497 PolarHBondContact O-OG1 3.06Å; T497-K500 PolarHBondContact O-N 2.83Å; T497-L501 WeakPolarHBondContact O-CB 3.05Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.23Å; T497-L501 PolarHBondContact O-N 3.05Å
498H87.7Confident86.7Confident113 Ų113100.5 Ų100.552%0.52351%0.51SS..Hα-helixtrans-60.3-44.8171.5-166.8-61.7000111.4A494 E495 K500 L501 D502A494-H498 VanDerWaalsContact O-CB 3.26Å; A494-H498 WeakPolarHBondContact O-CB 3.19Å; A494-H498 PolarHBondContact O-N 3.12Å; E495-H498 PolarHBondContact O-N 3.37Å; H498-K500 PolarHBondContact O-N 3.43Å; H498-L501 CarbonylContact O-C 3.58Å; H498-L501 PolarHBondContact O-N 2.85Å; H498-D502 IonicContact CE1-OD1 3.41Å; H498-D502 PolarHBondContact CE1-OD1 3.23Å; H498-D502 IonicContact CE1-OD2 3.72Å; H498-D502 PolarHBondContact CE1-OD2 2.65Å; H498-D502 IonicContact ND1-OD1 3.54Å; H498-D502 IonicContact ND1-OD2 2.68Å; H498-D502 PolarHBondContact ND1-OD2 3.24Å; H498-D502 WeakPolarHBondContact O-CB 3.48Å; H498-D502 PolarHBondContact O-N 3.15Å
499S86.9Confident86.8Confident69 Ų69100.3 Ų100.348%0.48351%0.509SS..Hα-helixtrans-63.2-41.3177.2179.10000112.1E495 D502 T503E495-S499 VanDerWaalsContact O-CB 3.24Å; E495-S499 WeakPolarHBondContact O-CB 2.84Å; E495-S499 PolarHBondContact O-N 3.44Å; S499-D502 PolarHBondContact O-N 3.24Å; S499-T503 WeakPolarHBondContact O-CG2 3.27Å; S499-T503 PolarHBondContact O-N 3.29Å; S499-T503 PolarHBondContact O-OG1 3.41Å
500K88.9Confident86.6Confident117 Ų117100.9 Ų100.951%0.50951%0.506SS..Hα-helixtrans-60.3-50.1170.9-75.2171.5179.3-176.10111.3K496 T497 H498 D502 T503 E504K496-K500 VanDerWaalsContact O-CG 3.3Å; K496-K500 WeakPolarHBondContact O-CG 3.45Å; K496-K500 PolarHBondContact O-N 3.42Å; T497-K500 PolarHBondContact O-N 2.83Å; H498-K500 PolarHBondContact O-N 3.43Å; K500-D502 VanDerWaalsContact C-N 3.32Å; K500-D502 PolarHBondContact O-N 2.99Å; K500-T503 WeakPolarHBondContact CA-OG1 3.36Å; K500-T503 PolarHBondContact O-N 3.11Å; K500-T503 VanDerWaalsContact O-N 3.09Å; K500-T503 PolarHBondContact O-OG1 2.99Å; K500-E504 PolarHBondContact O-N 2.87Å
501L85.1Confident86.6Confident106 Ų106101.1 Ų101.156%0.55550%0.502SS*.Hα-helixtrans-60.6-39.3178.2-73.1170.5000111.5T497 H498 E504 N505T497-L501 WeakPolarHBondContact O-CB 3.05Å; T497-L501 VanDerWaalsContact O-CG 3.31Å; T497-L501 WeakPolarHBondContact O-CG 3.23Å; T497-L501 PolarHBondContact O-N 3.05Å; H498-L501 CarbonylContact O-C 3.58Å; H498-L501 PolarHBondContact O-N 2.85Å; L501-E504 PolarHBondContact O-N 3.13Å; L501-N505 WeakPolarHBondContact O-CA 3.32Å; L501-N505 WeakPolarHBondContact O-CB 3.49Å; L501-N505 PolarHBondContact O-N 2.86Å
502D84.3Confident86.3Confident81 Ų8199.6 Ų99.643%0.43349%0.494SS..Hα-helixtrans-64.9-38.8173.2-79.6-27.2000111.9H498 S499 K500 N505 R506H498-D502 IonicContact CE1-OD1 3.41Å; H498-D502 PolarHBondContact CE1-OD1 3.23Å; H498-D502 IonicContact CE1-OD2 3.72Å; H498-D502 PolarHBondContact CE1-OD2 2.65Å; H498-D502 IonicContact ND1-OD1 3.54Å; H498-D502 IonicContact ND1-OD2 2.68Å; H498-D502 PolarHBondContact ND1-OD2 3.24Å; H498-D502 WeakPolarHBondContact O-CB 3.48Å; H498-D502 PolarHBondContact O-N 3.15Å; S499-D502 PolarHBondContact O-N 3.24Å; K500-D502 VanDerWaalsContact C-N 3.32Å; K500-D502 PolarHBondContact O-N 2.99Å; D502-N505 PolarHBondContact O-N 3.1Å; D502-R506 WeakPolarHBondContact O-CB 3.38Å; D502-R506 PolarHBondContact O-N 3.41Å
503T85.7Confident85.9Confident63 Ų6396.4 Ų96.439%0.38749%0.485SS..Hα-helixtrans-68-41174.757.40000112.2S499 K500 L507S499-T503 WeakPolarHBondContact O-CG2 3.27Å; S499-T503 PolarHBondContact O-N 3.29Å; S499-T503 PolarHBondContact O-OG1 3.41Å; K500-T503 WeakPolarHBondContact CA-OG1 3.36Å; K500-T503 PolarHBondContact O-N 3.11Å; K500-T503 VanDerWaalsContact O-N 3.09Å; K500-T503 PolarHBondContact O-OG1 2.99Å; T503-L507 WeakPolarHBondContact O-CB 3.42Å; T503-L507 VanDerWaalsContact O-CG 3.22Å; T503-L507 WeakPolarHBondContact O-CG 3.4Å; T503-L507 PolarHBondContact O-N 3.4Å
504E87.2Confident85.6Confident124 Ų12494.5 Ų94.558%0.57948%0.476SS*.Hα-helixtrans-67.1-39174-73.2-179.5175.900111.6K500 L501 L507 S508K500-E504 PolarHBondContact O-N 2.87Å; L501-E504 PolarHBondContact O-N 3.13Å; E504-L507 PolarHBondContact O-N 3.35Å; E504-S508 WeakPolarHBondContact O-CB 3.26Å; E504-S508 PolarHBondContact O-N 3.06Å
505N82.2Confident85.4Confident95 Ų9595.7 Ų95.751%0.50848%0.475SS..Hα-helixtrans-72.9-35.2179.2-162.318.5000110.6L501 D502 S508 Q509L501-N505 WeakPolarHBondContact O-CA 3.32Å; L501-N505 WeakPolarHBondContact O-CB 3.49Å; L501-N505 PolarHBondContact O-N 2.86Å; D502-N505 PolarHBondContact O-N 3.1Å; N505-S508 CarbonylContact O-C 3.57Å; N505-S508 WeakPolarHBondContact O-CB 3.47Å; N505-S508 PolarHBondContact O-N 3.15Å; N505-Q509 VanDerWaalsContact O-CB 3.25Å; N505-Q509 WeakPolarHBondContact O-CB 3.48Å; N505-Q509 PolarHBondContact O-N 3.14Å
506R90.3Very high85.1Confident147 Ų14795.6 Ų95.656%0.55548%0.475SS*.Hα-helixtrans-66.5-45.9169.3-175.5-17364.7143.63.9111.7D502 S508 Q509 E510D502-R506 WeakPolarHBondContact O-CB 3.38Å; D502-R506 PolarHBondContact O-N 3.41Å; R506-S508 VanDerWaalsContact C-N 3.26Å; R506-S508 PolarHBondContact O-N 2.89Å; R506-Q509 CarbonylContact O-C 3.47Å; R506-Q509 WeakPolarHBondContact O-CB 3.45Å; R506-Q509 PolarHBondContact O-N 3.05Å; R506-Q509 VanDerWaalsContact O-N 3.13Å; R506-E510 IonicContact CZ-OE1 3.13Å; R506-E510 IonicContact NE-OE1 3.66Å; R506-E510 WeakPolarHBondContact O-CB 3.07Å; R506-E510 WeakPolarHBondContact O-CG 3.39Å; R506-E510 PolarHBondContact O-N 2.95Å
507L87.5Confident84.6Confident97 Ų9794.4 Ų94.451%0.50847%0.471SS..Hα-helixtrans-63-35.8174.7-73.6167.3000111.4T503 E504 R511T503-L507 WeakPolarHBondContact O-CB 3.42Å; T503-L507 VanDerWaalsContact O-CG 3.22Å; T503-L507 WeakPolarHBondContact O-CG 3.4Å; T503-L507 PolarHBondContact O-N 3.4Å; E504-L507 PolarHBondContact O-N 3.35Å; L507-R511 WeakPolarHBondContact O-CB 3.21Å; L507-R511 PolarHBondContact O-N 2.94Å
508S81.2Confident84.2Confident54 Ų5495.2 Ų95.238%0.37847%0.47SS..Hα-helixtrans-66.8-41171.4-173.40000111.1E504 N505 R506 R511 I512E504-S508 WeakPolarHBondContact O-CB 3.26Å; E504-S508 PolarHBondContact O-N 3.06Å; N505-S508 CarbonylContact O-C 3.57Å; N505-S508 WeakPolarHBondContact O-CB 3.47Å; N505-S508 PolarHBondContact O-N 3.15Å; R506-S508 VanDerWaalsContact C-N 3.26Å; R506-S508 PolarHBondContact O-N 2.89Å; S508-R511 CarbonylContact O-C 3.59Å; S508-R511 PolarHBondContact O-N 3.24Å; S508-I512 VanDerWaalsContact O-CB 3.22Å; S508-I512 WeakPolarHBondContact O-CB 3.33Å; S508-I512 WeakPolarHBondContact O-CD1 3.43Å; S508-I512 WeakPolarHBondContact O-CG1 3.42Å; S508-I512 PolarHBondContact O-N 3.39Å
509Q85.9Confident83.8Confident107 Ų10793 Ų9350%0.547%0.465SS..Hα-helixtrans-67-42.2176.8-159.5797.200111.4N505 R506 I512 S513N505-Q509 VanDerWaalsContact O-CB 3.25Å; N505-Q509 WeakPolarHBondContact O-CB 3.48Å; N505-Q509 PolarHBondContact O-N 3.14Å; R506-Q509 CarbonylContact O-C 3.47Å; R506-Q509 WeakPolarHBondContact O-CB 3.45Å; R506-Q509 PolarHBondContact O-N 3.05Å; R506-Q509 VanDerWaalsContact O-N 3.13Å; Q509-I512 CarbonylContact O-C 3.59Å; Q509-I512 PolarHBondContact O-N 3.08Å; Q509-S513 WeakPolarHBondContact O-CB 3.48Å; Q509-S513 PolarHBondContact O-N 2.86Å; Q509-S513 PolarHBondContact O-OG 3.44Å; Q509-S513 VanDerWaalsContact O-OG 3.04Å
510E84.9Confident83.4Confident89 Ų8996 Ų9642%0.41647%0.471SS..Hα-helixtrans-60.5-47.4171.2-74.7168.1-169.400109.8R506 I512 S513 E514R506-E510 IonicContact CZ-OE1 3.13Å; R506-E510 IonicContact NE-OE1 3.66Å; R506-E510 WeakPolarHBondContact O-CB 3.07Å; R506-E510 WeakPolarHBondContact O-CG 3.39Å; R506-E510 PolarHBondContact O-N 2.95Å; E510-I512 VanDerWaalsContact C-N 3.34Å; E510-I512 PolarHBondContact O-N 3.46Å; E510-S513 CarbonylContact O-C 3.56Å; E510-S513 WeakPolarHBondContact O-CA 3.47Å; E510-S513 WeakPolarHBondContact O-CB 3.33Å; E510-S513 PolarHBondContact O-N 2.85Å; E510-S513 VanDerWaalsContact O-N 3.11Å; E510-E514 WeakPolarHBondContact O-CG 3.36Å; E510-E514 PolarHBondContact O-N 3.27Å
511R86.1Confident82.7Confident128 Ų12896.1 Ų96.148%0.48347%0.473SS..Hα-helixtrans-66.4-33.7176.3-172.655173.5-1751.5113L507 S508 E514 L515L507-R511 WeakPolarHBondContact O-CB 3.21Å; L507-R511 PolarHBondContact O-N 2.94Å; S508-R511 CarbonylContact O-C 3.59Å; S508-R511 PolarHBondContact O-N 3.24Å; R511-E514 WeakPolarHBondContact CD-OE2 3.48Å; R511-E514 IonicContact CZ-OE2 3.09Å; R511-E514 IonicContact NE-OE2 3.69Å; R511-E514 IonicContact NH1-OE2 2.65Å; R511-E514 PolarHBondContact NH1-OE2 3.31Å; R511-L515 HydrophobicContact CG-CD1 4.12Å; R511-L515 HydrophobicContact CG-CG 4.48Å; R511-L515 WeakPolarHBondContact O-CB 3.3Å; R511-L515 WeakPolarHBondContact O-CG 3.44Å; R511-L515 PolarHBondContact O-N 2.94Å
512I83.8Confident82Confident65 Ų6596.6 Ų96.633%0.33348%0.476SS..Hα-helixtrans-69-36.9172-75.2163000109.5S508 Q509 E510 Q516S508-I512 VanDerWaalsContact O-CB 3.22Å; S508-I512 WeakPolarHBondContact O-CB 3.33Å; S508-I512 WeakPolarHBondContact O-CD1 3.43Å; S508-I512 WeakPolarHBondContact O-CG1 3.42Å; S508-I512 PolarHBondContact O-N 3.39Å; Q509-I512 CarbonylContact O-C 3.59Å; Q509-I512 PolarHBondContact O-N 3.08Å; E510-I512 VanDerWaalsContact C-N 3.34Å; E510-I512 PolarHBondContact O-N 3.46Å; I512-Q516 HydrophobicContact CG2-CG 4.2Å; I512-Q516 WeakPolarHBondContact O-CA 3.34Å; I512-Q516 WeakPolarHBondContact O-CB 3.35Å; I512-Q516 WeakPolarHBondContact O-CG 3.3Å; I512-Q516 PolarHBondContact O-N 3.18Å
513S80.8Confident81.1Confident60 Ų6097.2 Ų97.242%0.4248%0.476SS..Hα-helixtrans-69.2-41.1173.4-66.30000112.2Q509 E510 Q516 Q517Q509-S513 WeakPolarHBondContact O-CB 3.48Å; Q509-S513 PolarHBondContact O-N 2.86Å; Q509-S513 PolarHBondContact O-OG 3.44Å; Q509-S513 VanDerWaalsContact O-OG 3.04Å; E510-S513 CarbonylContact O-C 3.56Å; E510-S513 WeakPolarHBondContact O-CA 3.47Å; E510-S513 WeakPolarHBondContact O-CB 3.33Å; E510-S513 PolarHBondContact O-N 2.85Å; E510-S513 VanDerWaalsContact O-N 3.11Å; S513-Q516 PolarHBondContact O-N 3.49Å; S513-Q517 WeakPolarHBondContact O-CB 3.42Å; S513-Q517 PolarHBondContact O-N 2.91Å
514E82.9Confident80.2Confident91 Ų91102 Ų10243%0.42549%0.491SS..Hα-helixtrans-61.1-46.9170.9-72.4179.8166.200111.4E510 R511 Q516 Q517 Q518E510-E514 WeakPolarHBondContact O-CG 3.36Å; E510-E514 PolarHBondContact O-N 3.27Å; R511-E514 WeakPolarHBondContact CD-OE2 3.48Å; R511-E514 IonicContact CZ-OE2 3.09Å; R511-E514 IonicContact NE-OE2 3.69Å; R511-E514 IonicContact NH1-OE2 2.65Å; R511-E514 PolarHBondContact NH1-OE2 3.31Å; E514-Q516 VanDerWaalsContact C-N 3.34Å; E514-Q517 PolarHBondContact O-N 2.85Å; E514-Q518 WeakPolarHBondContact O-CB 3.38Å; E514-Q518 VanDerWaalsContact O-CG 3.28Å; E514-Q518 WeakPolarHBondContact O-CG 3.35Å; E514-Q518 PolarHBondContact O-N 3.5Å
515L80.9Confident78.8Confident76 Ų7699 Ų9940%0.39849%0.488SS..Hα-helixtrans-69.3-32177.2-73.2171.9000111.7R511 V519R511-L515 HydrophobicContact CG-CD1 4.12Å; R511-L515 HydrophobicContact CG-CG 4.48Å; R511-L515 WeakPolarHBondContact O-CB 3.3Å; R511-L515 WeakPolarHBondContact O-CG 3.44Å; R511-L515 PolarHBondContact O-N 2.94Å; L515-V519 WeakPolarHBondContact O-CA 3.43Å; L515-V519 WeakPolarHBondContact O-CB 3.41Å; L515-V519 WeakPolarHBondContact O-CG2 3.24Å; L515-V519 PolarHBondContact O-N 3.07Å
516Q79.1Confident77.2Confident114 Ų11499.7 Ų99.753%0.53349%0.491SS..Hα-helixtrans-68.5-41.7171.7-82.7168.5-9.100110.5I512 S513 E514 V519 E520I512-Q516 HydrophobicContact CG2-CG 4.2Å; I512-Q516 WeakPolarHBondContact O-CA 3.34Å; I512-Q516 WeakPolarHBondContact O-CB 3.35Å; I512-Q516 WeakPolarHBondContact O-CG 3.3Å; I512-Q516 PolarHBondContact O-N 3.18Å; S513-Q516 PolarHBondContact O-N 3.49Å; E514-Q516 VanDerWaalsContact C-N 3.34Å; Q516-V519 CarbonylContact O-C 3.6Å; Q516-V519 PolarHBondContact O-N 3.28Å; Q516-E520 WeakPolarHBondContact O-CA 3.48Å; Q516-E520 WeakPolarHBondContact O-CB 3.46Å; Q516-E520 PolarHBondContact O-N 3.38Å
517Q79.2Confident75.2Confident114 Ų114100 Ų10053%0.53350%0.499SS..Hα-helixtrans-64.9-43.4175.1-172.7175.25.900111S513 E514 E520 E521S513-Q517 WeakPolarHBondContact O-CB 3.42Å; S513-Q517 PolarHBondContact O-N 2.91Å; E514-Q517 PolarHBondContact O-N 2.85Å; Q517-E520 PolarHBondContact O-N 2.84Å; Q517-E521 WeakPolarHBondContact O-CB 3.42Å; Q517-E521 WeakPolarHBondContact O-CG 3.42Å; Q517-E521 PolarHBondContact O-N 2.99Å
518Q78.4Confident73.4Confident90 Ų9099.7 Ų99.742%0.42151%0.505SS..Hα-helixtrans-64.5-39.8172.3-71.7168.227.600111.8E514 E520 L522E514-Q518 WeakPolarHBondContact O-CB 3.38Å; E514-Q518 VanDerWaalsContact O-CG 3.28Å; E514-Q518 WeakPolarHBondContact O-CG 3.35Å; E514-Q518 PolarHBondContact O-N 3.5Å; Q518-E520 VanDerWaalsContact C-N 3.31Å; Q518-L522 WeakPolarHBondContact O-CB 3.45Å; Q518-L522 WeakPolarHBondContact O-CD1 3.45Å; Q518-L522 WeakPolarHBondContact O-CG 3.35Å; Q518-L522 PolarHBondContact O-N 3Å
519V78Confident71.7Confident67 Ų67104.3 Ų104.341%0.40652%0.521SS..Hα-helixtrans-70.2-26.7174.2165.70000111.4L515 Q516 Q523L515-V519 WeakPolarHBondContact O-CA 3.43Å; L515-V519 WeakPolarHBondContact O-CB 3.41Å; L515-V519 WeakPolarHBondContact O-CG2 3.24Å; L515-V519 PolarHBondContact O-N 3.07Å; Q516-V519 CarbonylContact O-C 3.6Å; Q516-V519 PolarHBondContact O-N 3.28Å; V519-Q523 HydrophobicContact CG1-CG 4.15Å; V519-Q523 WeakPolarHBondContact O-CA 3.49Å; V519-Q523 WeakPolarHBondContact O-CB 3.49Å; V519-Q523 WeakPolarHBondContact O-CG 3.41Å; V519-Q523 PolarHBondContact O-N 3.49Å
520E78.8Confident69.3Low131 Ų131103.9 Ų103.961%0.61254%0.535SS*.Hα-helixtrans-84-32177.6-169.3171.3-135.300111.4Q516 Q517 Q518 K524Q516-E520 WeakPolarHBondContact O-CA 3.48Å; Q516-E520 WeakPolarHBondContact O-CB 3.46Å; Q516-E520 PolarHBondContact O-N 3.38Å; Q517-E520 PolarHBondContact O-N 2.84Å; Q518-E520 VanDerWaalsContact C-N 3.31Å; E520-K524 WeakPolarHBondContact O-CB 3.5Å; E520-K524 PolarHBondContact O-N 2.92Å
521E74.7Confident67Low120 Ų120103.9 Ų103.956%0.56155%0.551SS**Hα-helixtrans-66.3-47164.6-74.9178.4172.100111Q517 K524 A525Q517-E521 WeakPolarHBondContact O-CB 3.42Å; Q517-E521 WeakPolarHBondContact O-CG 3.42Å; Q517-E521 PolarHBondContact O-N 2.99Å; E521-K524 WeakPolarHBondContact O-CB 3.4Å; E521-K524 PolarHBondContact O-N 3.32Å; E521-A525 PolarHBondContact O-N 3.01Å
522L69.7Low65Low115 Ų115107.3 Ų107.360%0.60257%0.569SS**Hα-helixtrans-66.1-35.3173.3-72.2168.7000111.8Q518 A525 L526Q518-L522 WeakPolarHBondContact O-CB 3.45Å; Q518-L522 WeakPolarHBondContact O-CD1 3.45Å; Q518-L522 WeakPolarHBondContact O-CG 3.35Å; Q518-L522 PolarHBondContact O-N 3Å; L522-A525 CarbonylContact O-C 3.58Å; L522-A525 WeakPolarHBondContact O-CB 3.4Å; L522-A525 PolarHBondContact O-N 3.4Å; L522-L526 WeakPolarHBondContact O-CB 3.44Å; L522-L526 PolarHBondContact O-N 2.84Å
523Q64.9Low63.4Low94 Ų94109 Ų10944%0.43958%0.584SS.*Hα-helixtrans-76.3-23.5173.5-80.117710.200112.1V519 Q527V519-Q523 HydrophobicContact CG1-CG 4.15Å; V519-Q523 WeakPolarHBondContact O-CA 3.49Å; V519-Q523 WeakPolarHBondContact O-CB 3.49Å; V519-Q523 WeakPolarHBondContact O-CG 3.41Å; V519-Q523 PolarHBondContact O-N 3.49Å; Q523-Q527 WeakPolarHBondContact O-CA 3.39Å; Q523-Q527 WeakPolarHBondContact O-CB 3.42Å; Q523-Q527 WeakPolarHBondContact O-CG 3.4Å; Q523-Q527 PolarHBondContact O-N 3.34Å
524K67Low61.3Low163 Ų163111.4 Ų111.471%0.70959%0.592SS**Hα-helixtrans-65.8-44.7163.1-99.1174.5175166.10110.5E520 E521 L526 S528E520-K524 WeakPolarHBondContact O-CB 3.5Å; E520-K524 PolarHBondContact O-N 2.92Å; E521-K524 WeakPolarHBondContact O-CB 3.4Å; E521-K524 PolarHBondContact O-N 3.32Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.32Å; K524-S528 PolarHBondContact O-N 3.34Å; K524-S528 PolarHBondContact O-OG 3.19Å
525A57.5Low59.3Low62 Ų62114 Ų11451%0.51261%0.609SS.*Hα-helixtrans-66.1-29.8174.600000113.2E521 L522 S528E521-A525 PolarHBondContact O-N 3.01Å; L522-A525 CarbonylContact O-C 3.58Å; L522-A525 WeakPolarHBondContact O-CB 3.4Å; L522-A525 PolarHBondContact O-N 3.4Å; A525-S528 VanDerWaalsContact C-OG 3.27Å; A525-S528 PolarHBondContact O-OG 3.22Å
526L49.7Very low57.9Low110 Ų110112.8 Ų112.858%0.57661%0.607SS**Hα-helixtrans-93-22.4179.5-148.478.2000113.3L522 K524 S528 Q529L522-L526 WeakPolarHBondContact O-CB 3.44Å; L522-L526 PolarHBondContact O-N 2.84Å; K524-L526 VanDerWaalsContact C-N 3.3Å; K524-L526 PolarHBondContact O-N 3.32Å; L526-S528 PolarHBondContact O-N 3.34Å; L526-Q529 CarbonylContact O-C 3.56Å; L526-Q529 VanDerWaalsContact O-CA 3.3Å; L526-Q529 WeakPolarHBondContact O-CA 3.27Å; L526-Q529 PolarHBondContact O-N 2.91Å
527Q48.8Very low56.8Low152 Ų152112.2 Ų112.271%0.7161%0.608SS**Hα-helixtrans-77.2-13.5170.6-74.9174.813.700112Q523Q523-Q527 WeakPolarHBondContact O-CA 3.39Å; Q523-Q527 WeakPolarHBondContact O-CB 3.42Å; Q523-Q527 WeakPolarHBondContact O-CG 3.4Å; Q523-Q527 PolarHBondContact O-N 3.34Å
528S48.6Very low55.4Low92 Ų92114 Ų11464%0.64362%0.62SS**THydrogen-bonded Turntrans-71.2-11.3155.229.90000114.3K524 A525 L526K524-S528 PolarHBondContact O-N 3.34Å; K524-S528 PolarHBondContact O-OG 3.19Å; A525-S528 VanDerWaalsContact C-OG 3.27Å; A525-S528 PolarHBondContact O-OG 3.22Å; L526-S528 PolarHBondContact O-N 3.34Å
529Q45.9Very low54.2Low151 Ų151117.2 Ų117.271%0.70663%0.633SS**SBendtrans-143.489.5178.1-86.5-170.5-200114.2L526L526-Q529 CarbonylContact O-C 3.56Å; L526-Q529 VanDerWaalsContact O-CA 3.3Å; L526-Q529 WeakPolarHBondContact O-CA 3.27Å; L526-Q529 PolarHBondContact O-N 2.91Å
530A35.1Very low53.3Low97 Ų97119.3 Ų119.380%0.80263%0.633SS**  trans75.7144.716300000117.7
531A36.4Very low52.4Low90 Ų90118.7 Ų118.774%0.74463%0.629SS**  trans-118138.1-168.500000112.6
532K43.8Very low51.5Low200 Ų200118.9 Ų118.987%0.8763%0.633SS**  trans69.6156.1137.2-82.5-168.1-178.8-172.90117.9
533P51.1Low51.2Low100 Ų100117.1 Ų117.165%0.64962%0.624SS**  -136.9-175.7-103.936.5-14.4000115
534D37Very low51.4Low110 Ų110114.5 Ų114.559%0.58862%0.619SS**  trans51.3136.9150.2-63.6-35.8000120.9R540D534-R540 IonicContact OD1-CZ 3.53Å; D534-R540 IonicContact OD1-NH1 3.93Å; D534-R540 PolarHBondContact OD1-NH1 3.26Å
535D39.8Very low51.4Low146 Ų146112.7 Ų112.778%0.78161%0.612SS**  -163.4108.768.717922.1000112.7
536S52.7Low51.9Low51 Ų51114.9 Ų114.936%0.35761%0.613SS.*  trans-16444.2171.752.20000114.7L538 K539 R540S536-L538 PolarHBondContact O-N 3.04Å; S536-K539 PolarHBondContact O-N 3.43Å; S536-R540 WeakPolarHBondContact O-CB 3.44Å; S536-R540 WeakPolarHBondContact O-CG 3.22Å; S536-R540 PolarHBondContact O-N 3.31Å; S536-R540 VanDerWaalsContact O-N 3.12Å; S536-R540 WeakPolarHBondContact OG-CG 3.44Å; S536-R540 PolarHBondContact OG-NE 3.01Å
537N54.9Low53.1Low101 Ų101112.3 Ų112.354%0.5461%0.605SS.*THydrogen-bonded Turntrans-69.53.5-161.9-147-15.2000117.5K541N537-K541 WeakPolarHBondContact O-CD 3.45Å; N537-K541 WeakPolarHBondContact O-CE 3.2Å; N537-K541 WeakPolarHBondContact O-CG 3.45Å; N537-K541 WeakPolarHBondContact OD1-CE 3.4Å
538L51.3Low54.4Low151 Ų151110.2 Ų110.279%0.79160%0.595SS**THydrogen-bonded Turntrans-114.4-38.8174.7-85.7159.4000112.9S536 K541S536-L538 PolarHBondContact O-N 3.04Å; L538-K541 PolarHBondContact O-N 2.82Å
539K53Low55.7Low159 Ų159110.9 Ų110.969%0.69159%0.591SS**Hα-helixtrans-71.3-40.8174-156.9164.5-175.6174.80111S536 K541 L542 D543S536-K539 PolarHBondContact O-N 3.43Å; K539-K541 PolarHBondContact O-N 3.03Å; K539-K541 VanDerWaalsContact O-N 3.14Å; K539-L542 PolarHBondContact O-N 2.74Å; K539-D543 PolarHBondContact O-N 3.32Å
540R58.5Low57.2Low110 Ų110108.1 Ų108.142%0.41558%0.581SS.*Hα-helixtrans-54.5-29.9170.1-74.6-177.7-170.4154.66.5113.8D534 S536 A544D534-R540 IonicContact OD1-CZ 3.53Å; D534-R540 IonicContact OD1-NH1 3.93Å; D534-R540 PolarHBondContact OD1-NH1 3.26Å; S536-R540 WeakPolarHBondContact O-CB 3.44Å; S536-R540 WeakPolarHBondContact O-CG 3.22Å; S536-R540 PolarHBondContact O-N 3.31Å; S536-R540 VanDerWaalsContact O-N 3.12Å; S536-R540 WeakPolarHBondContact OG-CG 3.44Å; S536-R540 PolarHBondContact OG-NE 3.01Å; R540-A544 WeakPolarHBondContact O-CA 3.33Å; R540-A544 WeakPolarHBondContact O-CB 3.23Å; R540-A544 PolarHBondContact O-N 3.41Å
541K60.4Low59.2Low119 Ų119108.8 Ų108.852%0.51757%0.567SS.*Hα-helixtrans-76.4-36.9-179.1-72.8-177-179.2-176.70112.8N537 L538 K539 H545N537-K541 WeakPolarHBondContact O-CD 3.45Å; N537-K541 WeakPolarHBondContact O-CE 3.2Å; N537-K541 WeakPolarHBondContact O-CG 3.45Å; N537-K541 WeakPolarHBondContact OD1-CE 3.4Å; L538-K541 PolarHBondContact O-N 2.82Å; K539-K541 PolarHBondContact O-N 3.03Å; K539-K541 VanDerWaalsContact O-N 3.14Å; K541-H545 PolarHBondContact O-CD2 2.99Å; K541-H545 VanDerWaalsContact O-CD2 3.28Å; K541-H545 PolarHBondContact O-N 3.28Å
542L56.2Low61.2Low123 Ų123106.5 Ų106.564%0.64455%0.549SS*.Hα-helixtrans-72.1-44.1174.1-16967000110.9K539 A544 H545 M546K539-L542 PolarHBondContact O-N 2.74Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 2.93Å; L542-H545 PolarHBondContact O-N 3.28Å; L542-M546 PolarHBondContact O-N 3.4Å
543D63.4Low62.8Low78 Ų78101.8 Ų101.842%0.41753%0.53SS..Hα-helixtrans-64.7-36.2174.9-64.7-31.8000111.4K539 M546 S547K539-D543 PolarHBondContact O-N 3.32Å; D543-M546 PolarHBondContact O-N 3.45Å; D543-S547 VanDerWaalsContact O-CB 3.27Å; D543-S547 WeakPolarHBondContact O-CB 3.43Å; D543-S547 PolarHBondContact O-N 3.07Å
544A67.7Low64.3Low40 Ų40101.4 Ų101.433%0.33152%0.522SS..Hα-helixtrans-69.2-35.8174.100000112.9R540 L542 S547 Q548R540-A544 WeakPolarHBondContact O-CA 3.33Å; R540-A544 WeakPolarHBondContact O-CB 3.23Å; R540-A544 PolarHBondContact O-N 3.41Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 2.93Å; A544-S547 PolarHBondContact O-N 3.11Å; A544-Q548 VanDerWaalsContact O-CB 3.26Å; A544-Q548 WeakPolarHBondContact O-CB 3.35Å; A544-Q548 WeakPolarHBondContact O-CG 3.46Å; A544-Q548 PolarHBondContact O-N 3.17Å
545H67.7Low66.4Low125 Ų125101 Ų10158%0.57952%0.516SS*.Hα-helixtrans-70.5-34.6173.8-79.4-47.4000112.4K541 L542 Q548 L549K541-H545 PolarHBondContact O-CD2 2.99Å; K541-H545 VanDerWaalsContact O-CD2 3.28Å; K541-H545 PolarHBondContact O-N 3.28Å; L542-H545 PolarHBondContact O-N 3.28Å; H545-Q548 PolarHBondContact ND1-OE1 3.22Å; H545-Q548 VanDerWaalsContact ND1-OE1 3.15Å; H545-L549 WeakPolarHBondContact O-CB 3.47Å; H545-L549 PolarHBondContact O-N 2.91Å
546M68.5Low68.3Low107 Ų10798.2 Ų98.253%0.52750%0.501SS..Hα-helixtrans-68.1-38.8168.9-67.7-163-56.200112L542 D543 L549 N550L542-M546 PolarHBondContact O-N 3.4Å; D543-M546 PolarHBondContact O-N 3.45Å; M546-L549 PolarHBondContact O-N 3.47Å; M546-N550 WeakPolarHBondContact O-CB 3.33Å; M546-N550 PolarHBondContact O-N 3.45Å; M546-N550 PolarHBondContact O-ND2 2.99Å
547S74.3Confident69.7Low57 Ų57101.1 Ų101.140%0.39951%0.51SS..Hα-helixtrans-65-43.7175.9-162.90000111.5D543 A544 L549 N550 E551D543-S547 VanDerWaalsContact O-CB 3.27Å; D543-S547 WeakPolarHBondContact O-CB 3.43Å; D543-S547 PolarHBondContact O-N 3.07Å; A544-S547 PolarHBondContact O-N 3.11Å; S547-L549 VanDerWaalsContact C-N 3.34Å; S547-L549 PolarHBondContact O-N 3.42Å; S547-N550 PolarHBondContact O-N 3.15Å; S547-E551 VanDerWaalsContact O-CB 3.3Å; S547-E551 WeakPolarHBondContact O-CB 3.44Å; S547-E551 VanDerWaalsContact O-CG 3.29Å; S547-E551 WeakPolarHBondContact O-CG 3.4Å; S547-E551 PolarHBondContact O-N 3.4Å
548Q76.1Confident71Confident107 Ų107103 Ų10350%0.551%0.514SS..Hα-helixtrans-65.4-35.4175.2-76.6170.9-8.700112.2A544 H545 A552A544-Q548 VanDerWaalsContact O-CB 3.26Å; A544-Q548 WeakPolarHBondContact O-CB 3.35Å; A544-Q548 WeakPolarHBondContact O-CG 3.46Å; A544-Q548 PolarHBondContact O-N 3.17Å; H545-Q548 PolarHBondContact ND1-OE1 3.22Å; H545-Q548 VanDerWaalsContact ND1-OE1 3.15Å; Q548-A552 WeakPolarHBondContact O-CB 3.49Å; Q548-A552 PolarHBondContact O-N 3Å
549L76.1Confident72.4Confident107 Ų107101.5 Ų101.556%0.5650%0.501SS*.Hα-helixtrans-68.4-43.6174.8-171.566.3000111.1H545 M546 S547 A552 Q553H545-L549 WeakPolarHBondContact O-CB 3.47Å; H545-L549 PolarHBondContact O-N 2.91Å; M546-L549 PolarHBondContact O-N 3.47Å; S547-L549 VanDerWaalsContact C-N 3.34Å; S547-L549 PolarHBondContact O-N 3.42Å; L549-A552 PolarHBondContact O-N 3.26Å; L549-Q553 WeakPolarHBondContact O-CB 3.49Å; L549-Q553 WeakPolarHBondContact O-CG 3.17Å; L549-Q553 PolarHBondContact O-N 2.91Å; L549-Q553 PolarHBondContact O-OE1 2.86Å
550N76.6Confident73.6Confident93 Ų93100.2 Ų100.250%0.49750%0.495SS..Hα-helixtrans-65.9-42.9174.3-72.9-26.3000111.9M546 S547 Q553 D554M546-N550 WeakPolarHBondContact O-CB 3.33Å; M546-N550 PolarHBondContact O-N 3.45Å; M546-N550 PolarHBondContact O-ND2 2.99Å; S547-N550 PolarHBondContact O-N 3.15Å; N550-Q553 CarbonylContact O-C 3.59Å; N550-Q553 PolarHBondContact O-N 3.28Å; N550-Q553 VanDerWaalsContact O-N 3.16Å; N550-D554 WeakPolarHBondContact O-CB 3.4Å; N550-D554 PolarHBondContact O-N 2.96Å
551E78.4Confident74.6Confident110 Ų110100.6 Ų100.651%0.51450%0.501SS..Hα-helixtrans-63.2-40.5174.7-77.9173.8152.800111.3S547 Q553 D554 E555S547-E551 VanDerWaalsContact O-CB 3.3Å; S547-E551 WeakPolarHBondContact O-CB 3.44Å; S547-E551 VanDerWaalsContact O-CG 3.29Å; S547-E551 WeakPolarHBondContact O-CG 3.4Å; S547-E551 PolarHBondContact O-N 3.4Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; E551-D554 PolarHBondContact O-N 2.92Å; E551-E555 WeakPolarHBondContact O-CB 3.46Å; E551-E555 WeakPolarHBondContact O-CG 3.37Å; E551-E555 PolarHBondContact O-N 3.39Å
552A78.3Confident75.5Confident43 Ų43100.2 Ų100.236%0.35551%0.505SS..Hα-helixtrans-65.5-36.7172.800000112Q548 L549 I556Q548-A552 WeakPolarHBondContact O-CB 3.49Å; Q548-A552 PolarHBondContact O-N 3Å; L549-A552 PolarHBondContact O-N 3.26Å; A552-I556 WeakPolarHBondContact O-CB 3.38Å; A552-I556 WeakPolarHBondContact O-CD1 3.37Å; A552-I556 WeakPolarHBondContact O-CG1 3.37Å; A552-I556 PolarHBondContact O-N 3.04Å
553Q76.6Confident76.3Confident100 Ų100100 Ų10047%0.46750%0.504SS..Hα-helixtrans-70.7-38.4174.4-77.2172-6600112.1L549 N550 E551 I556 M557L549-Q553 WeakPolarHBondContact O-CB 3.49Å; L549-Q553 WeakPolarHBondContact O-CG 3.17Å; L549-Q553 PolarHBondContact O-N 2.91Å; L549-Q553 PolarHBondContact O-OE1 2.86Å; N550-Q553 CarbonylContact O-C 3.59Å; N550-Q553 PolarHBondContact O-N 3.28Å; N550-Q553 VanDerWaalsContact O-N 3.16Å; E551-Q553 VanDerWaalsContact C-N 3.34Å; Q553-I556 PolarHBondContact O-N 2.88Å; Q553-M557 WeakPolarHBondContact O-CB 3.43Å; Q553-M557 VanDerWaalsContact O-CG 3.27Å; Q553-M557 WeakPolarHBondContact O-CG 3.36Å; Q553-M557 PolarHBondContact O-N 3.06Å
554D82Confident77Confident92 Ų92103 Ų10349%0.49251%0.513SS..Hα-helixtrans-67.6-37.8173-79.4-11.3000111.6N550 E551 M557 K558N550-D554 WeakPolarHBondContact O-CB 3.4Å; N550-D554 PolarHBondContact O-N 2.96Å; E551-D554 PolarHBondContact O-N 2.92Å; D554-M557 PolarHBondContact O-N 3.47Å; D554-K558 WeakPolarHBondContact O-CB 3.43Å; D554-K558 WeakPolarHBondContact O-CD 3.42Å; D554-K558 WeakPolarHBondContact O-CG 3.27Å; D554-K558 PolarHBondContact O-N 3.3Å
555E81.7Confident77.4Confident101 Ų101105.9 Ų105.947%0.47252%0.523SS..Hα-helixtrans-64.4-41.9170.1-85.6-161-162.100112.1E551 M557 K558 K559E551-E555 WeakPolarHBondContact O-CB 3.46Å; E551-E555 WeakPolarHBondContact O-CG 3.37Å; E551-E555 PolarHBondContact O-N 3.39Å; E555-M557 VanDerWaalsContact C-N 3.33Å; E555-K558 PolarHBondContact O-N 3.03Å; E555-K559 VanDerWaalsContact O-CB 3.27Å; E555-K559 WeakPolarHBondContact O-CB 3.4Å; E555-K559 WeakPolarHBondContact O-CD 3.25Å; E555-K559 WeakPolarHBondContact O-CG 3.47Å; E555-K559 PolarHBondContact O-N 3.14Å; E555-K559 IonicContact OE2-NZ 3.48Å; E555-K559 PolarHBondContact OE2-NZ 3.32Å
556I80.4Confident77.8Confident88 Ų88104.3 Ų104.345%0.45152%0.518SS..Hα-helixtrans-65.9-37.8175.6-73.9164.5000110.5A552 Q553 K559 K560A552-I556 WeakPolarHBondContact O-CB 3.38Å; A552-I556 WeakPolarHBondContact O-CD1 3.37Å; A552-I556 WeakPolarHBondContact O-CG1 3.37Å; A552-I556 PolarHBondContact O-N 3.04Å; Q553-I556 PolarHBondContact O-N 2.88Å; I556-K559 PolarHBondContact O-N 3.06Å; I556-K560 HydrophobicContact CG2-CD 4.26Å; I556-K560 WeakPolarHBondContact O-CB 3.35Å; I556-K560 VanDerWaalsContact O-CG 3.28Å; I556-K560 WeakPolarHBondContact O-CG 3.35Å; I556-K560 PolarHBondContact O-N 3.1Å
557M80.8Confident78.2Confident112 Ų112105 Ų10555%0.55252%0.52SS*.Hα-helixtrans-66.5-47.7174.2-74.5-64.2-69.400111.2Q553 D554 E555 K559 K560 E561Q553-M557 WeakPolarHBondContact O-CB 3.43Å; Q553-M557 VanDerWaalsContact O-CG 3.27Å; Q553-M557 WeakPolarHBondContact O-CG 3.36Å; Q553-M557 PolarHBondContact O-N 3.06Å; D554-M557 PolarHBondContact O-N 3.47Å; E555-M557 VanDerWaalsContact C-N 3.33Å; M557-K559 VanDerWaalsContact C-N 3.33Å; M557-K559 PolarHBondContact O-N 2.86Å; M557-K560 WeakPolarHBondContact O-CB 3.45Å; M557-K560 PolarHBondContact O-N 3.05Å; M557-K560 VanDerWaalsContact O-N 3.13Å; M557-K560 HydrophobicContact SD-CD 4.46Å; M557-E561 WeakPolarHBondContact O-CB 3.43Å; M557-E561 PolarHBondContact O-N 3.34Å
558K83.6Confident78.3Confident142 Ų142105.5 Ų105.562%0.61752%0.522SS*.Hα-helixtrans-58.1-41.9173-73.9165.1-175.51660112.2D554 E555 E561 L562D554-K558 WeakPolarHBondContact O-CB 3.43Å; D554-K558 WeakPolarHBondContact O-CD 3.42Å; D554-K558 WeakPolarHBondContact O-CG 3.27Å; D554-K558 PolarHBondContact O-N 3.3Å; E555-K558 PolarHBondContact O-N 3.03Å; K558-E561 PolarHBondContact O-N 2.93Å; K558-L562 WeakPolarHBondContact O-CB 3.33Å; K558-L562 PolarHBondContact O-N 3.49Å
559K79.8Confident78.3Confident119 Ų119104.9 Ų104.952%0.51752%0.522SS..Hα-helixtrans-67.5-35.3176-74.7162.2-179.6158.60112.2E555 I556 M557 L563E555-K559 VanDerWaalsContact O-CB 3.27Å; E555-K559 WeakPolarHBondContact O-CB 3.4Å; E555-K559 WeakPolarHBondContact O-CD 3.25Å; E555-K559 WeakPolarHBondContact O-CG 3.47Å; E555-K559 PolarHBondContact O-N 3.14Å; E555-K559 IonicContact OE2-NZ 3.48Å; E555-K559 PolarHBondContact OE2-NZ 3.32Å; I556-K559 PolarHBondContact O-N 3.06Å; M557-K559 VanDerWaalsContact C-N 3.33Å; M557-K559 PolarHBondContact O-N 2.86Å; K559-L563 WeakPolarHBondContact O-CB 3.48Å; K559-L563 VanDerWaalsContact O-CG 3.3Å; K559-L563 WeakPolarHBondContact O-CG 3.49Å; K559-L563 PolarHBondContact O-N 3.47Å
560K78.9Confident78.3Confident131 Ų131106.5 Ų106.557%0.5753%0.526SS*.Hα-helixtrans-68.8-38.3172-78.6173.7179.2177.80112.5I556 M557 L563 K564I556-K560 HydrophobicContact CG2-CD 4.26Å; I556-K560 WeakPolarHBondContact O-CB 3.35Å; I556-K560 VanDerWaalsContact O-CG 3.28Å; I556-K560 WeakPolarHBondContact O-CG 3.35Å; I556-K560 PolarHBondContact O-N 3.1Å; M557-K560 WeakPolarHBondContact O-CB 3.45Å; M557-K560 PolarHBondContact O-N 3.05Å; M557-K560 VanDerWaalsContact O-N 3.13Å; M557-K560 HydrophobicContact SD-CD 4.46Å; K560-L563 PolarHBondContact O-N 3Å; K560-K564 WeakPolarHBondContact O-CB 3.32Å; K560-K564 PolarHBondContact O-N 2.97Å
561E79.6Confident78.5Confident118 Ų118105.6 Ų105.655%0.55153%0.525SS*.Hα-helixtrans-68.4-45.8176.7-162.6147.3-137.900110.2M557 K558 L563 K564 D565M557-E561 WeakPolarHBondContact O-CB 3.43Å; M557-E561 PolarHBondContact O-N 3.34Å; K558-E561 PolarHBondContact O-N 2.93Å; E561-L563 VanDerWaalsContact C-N 3.32Å; E561-L563 PolarHBondContact O-N 3.24Å; E561-K564 CarbonylContact O-C 3.6Å; E561-K564 WeakPolarHBondContact O-CA 3.24Å; E561-K564 WeakPolarHBondContact O-CB 3.42Å; E561-K564 PolarHBondContact O-N 3.46Å; E561-D565 PolarHBondContact O-N 3.3Å
562L78.6Confident78.8Confident112 Ų112106.5 Ų106.559%0.58653%0.529SS*.Hα-helixtrans-59-39.5172.4-150.396.6000112.8K558 K564 D565 L566K558-L562 WeakPolarHBondContact O-CB 3.33Å; K558-L562 PolarHBondContact O-N 3.49Å; L562-K564 VanDerWaalsContact C-N 3.33Å; L562-D565 PolarHBondContact O-N 3.49Å; L562-L566 HydrophobicContact CD2-CD1 4.27Å; L562-L566 WeakPolarHBondContact O-CB 3.28Å; L562-L566 WeakPolarHBondContact O-CD1 3.3Å; L562-L566 VanDerWaalsContact O-CG 3.26Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.29Å
563L74.5Confident79Confident119 Ų119108.2 Ų108.262%0.62354%0.535SS*.Hα-helixtrans-66.4-34.7173.5-81.3169.5000112.5K559 K560 E561 Q567K559-L563 WeakPolarHBondContact O-CB 3.48Å; K559-L563 VanDerWaalsContact O-CG 3.3Å; K559-L563 WeakPolarHBondContact O-CG 3.49Å; K559-L563 PolarHBondContact O-N 3.47Å; K560-L563 PolarHBondContact O-N 3Å; E561-L563 VanDerWaalsContact C-N 3.32Å; E561-L563 PolarHBondContact O-N 3.24Å; L563-Q567 WeakPolarHBondContact O-CB 3.48Å; L563-Q567 PolarHBondContact O-N 2.91Å
564K77.9Confident79.5Confident139 Ų139106.3 Ų106.360%0.60453%0.532SS*.Hα-helixtrans-72-32.2175.8-170.5-173.3175.7-165.10111.8K560 E561 L562 Q567 P568K560-K564 WeakPolarHBondContact O-CB 3.32Å; K560-K564 PolarHBondContact O-N 2.97Å; E561-K564 CarbonylContact O-C 3.6Å; E561-K564 WeakPolarHBondContact O-CA 3.24Å; E561-K564 WeakPolarHBondContact O-CB 3.42Å; E561-K564 PolarHBondContact O-N 3.46Å; L562-K564 VanDerWaalsContact C-N 3.33Å; K564-Q567 WeakPolarHBondContact O-CB 3.35Å; K564-P568 WeakPolarHBondContact O-CD 3.21Å
565D75.9Confident79.9Confident102 Ų102107 Ų10755%0.54554%0.536SS..Hα-helixtrans-75.9-31174.2-66.6-19.7000112.3E561 L562 P568E561-D565 PolarHBondContact O-N 3.3Å; L562-D565 PolarHBondContact O-N 3.49Å; D565-P568 VanDerWaalsContact O-CD 3.26Å; D565-P568 WeakPolarHBondContact O-CD 3.39Å; D565-P568 VanDerWaalsContact O-CG 3.23Å; D565-P568 WeakPolarHBondContact O-CG 3.43Å
566L75.8Confident80.3Confident92 Ų92108.2 Ų108.248%0.48254%0.539SS..Hα-helixtrans-79.1-18.4172-70.7166.2000113.4L562 D569 H570L562-L566 HydrophobicContact CD2-CD1 4.27Å; L562-L566 WeakPolarHBondContact O-CB 3.28Å; L562-L566 WeakPolarHBondContact O-CD1 3.3Å; L562-L566 VanDerWaalsContact O-CG 3.26Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.29Å; L566-D569 PolarHBondContact O-N 3.24Å; L566-H570 PolarHBondContact O-N 3.48Å
567Q76.8Confident80.7Confident122 Ų122107.8 Ų107.857%0.5754%0.541SS*.Hα-helixtrans-61.6-46177.4-165.5173.36.300113.9L563 K564 H570 T571L563-Q567 WeakPolarHBondContact O-CB 3.48Å; L563-Q567 PolarHBondContact O-N 2.91Å; K564-Q567 WeakPolarHBondContact O-CB 3.35Å; Q567-H570 PolarHBondContact O-N 3.12Å; Q567-T571 PolarHBondContact O-N 3.08Å; Q567-T571 PolarHBondContact O-OG1 3.41Å
568P75.7Confident81.2Confident67 Ų67106.4 Ų106.444%0.43554%0.536SS..Hα-helixtrans-64.5-36.9174.324.5-34.7000112.9K564 D565 H570 T571 Q572K564-P568 WeakPolarHBondContact O-CD 3.21Å; D565-P568 VanDerWaalsContact O-CD 3.26Å; D565-P568 WeakPolarHBondContact O-CD 3.39Å; D565-P568 VanDerWaalsContact O-CG 3.23Å; D565-P568 WeakPolarHBondContact O-CG 3.43Å; P568-H570 VanDerWaalsContact C-N 3.32Å; P568-H570 PolarHBondContact O-N 3Å; P568-T571 WeakPolarHBondContact CA-OG1 3.33Å; P568-T571 PolarHBondContact O-N 3.32Å; P568-T571 PolarHBondContact O-OG1 2.92Å; P568-Q572 WeakPolarHBondContact O-CB 3.31Å; P568-Q572 PolarHBondContact O-N 3.15Å
569D75.8Confident81.7Confident93 Ų93105.7 Ų105.750%0.49753%0.534SS..Hα-helixtrans-63.2-40.2174.3-85.25000111.1L566 Q572 T573L566-D569 PolarHBondContact O-N 3.24Å; D569-Q572 PolarHBondContact O-N 3.13Å; D569-T573 WeakPolarHBondContact O-CB 3.42Å; D569-T573 WeakPolarHBondContact O-CG2 3.18Å; D569-T573 PolarHBondContact O-N 3.25Å; D569-T573 PolarHBondContact O-OG1 2.99Å
570H77.6Confident82.2Confident141 Ų141105.4 Ų105.465%0.65354%0.538SS*.Hα-helixtrans-66.4-41175.6-169.756.6000112.7L566 Q567 P568 T573 S574L566-H570 PolarHBondContact O-N 3.48Å; Q567-H570 PolarHBondContact O-N 3.12Å; P568-H570 VanDerWaalsContact C-N 3.32Å; P568-H570 PolarHBondContact O-N 3Å; H570-T573 WeakPolarHBondContact CA-OG1 3.12Å; H570-T573 PolarHBondContact O-OG1 3.49Å; H570-S574 WeakPolarHBondContact O-CB 3.35Å; H570-S574 PolarHBondContact O-N 3.5Å
571T81.1Confident82.7Confident75 Ų75104.1 Ų104.146%0.4654%0.535SS..Hα-helixtrans-70.1-36.517558.60000112.2Q567 P568 S574 L575Q567-T571 PolarHBondContact O-N 3.08Å; Q567-T571 PolarHBondContact O-OG1 3.41Å; P568-T571 WeakPolarHBondContact CA-OG1 3.33Å; P568-T571 PolarHBondContact O-N 3.32Å; P568-T571 PolarHBondContact O-OG1 2.92Å; T571-S574 PolarHBondContact O-N 2.95Å; T571-L575 VanDerWaalsContact O-CG 3.31Å; T571-L575 WeakPolarHBondContact O-CG 3.41Å; T571-L575 PolarHBondContact O-N 3.45Å
572Q83.3Confident83.4Confident128 Ų128101.5 Ų101.560%0.59853%0.534SS*.Hα-helixtrans-68.7-38.8177.6-169.6171.835.900111.8P568 D569 L575 K576P568-Q572 WeakPolarHBondContact O-CB 3.31Å; P568-Q572 PolarHBondContact O-N 3.15Å; D569-Q572 PolarHBondContact O-N 3.13Å; Q572-L575 PolarHBondContact O-N 3.28Å; Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 2.97Å
573T82.9Confident84Confident79 Ų7998.7 Ų98.749%0.48553%0.526SS..Hα-helixtrans-67.6-38.217246.10000112.4D569 H570 K576 V577D569-T573 WeakPolarHBondContact O-CB 3.42Å; D569-T573 WeakPolarHBondContact O-CG2 3.18Å; D569-T573 PolarHBondContact O-N 3.25Å; D569-T573 PolarHBondContact O-OG1 2.99Å; H570-T573 WeakPolarHBondContact CA-OG1 3.12Å; H570-T573 PolarHBondContact O-OG1 3.49Å; T573-K576 WeakPolarHBondContact O-CB 3.5Å; T573-K576 PolarHBondContact O-N 3.04Å; T573-V577 WeakPolarHBondContact O-CG2 3.5Å; T573-V577 PolarHBondContact O-N 3.23Å
574S86.5Confident84.8Confident60 Ų6098.3 Ų98.342%0.4253%0.525SS..Hα-helixtrans-59.6-49.7170.8-168.80000111.7H570 T571 K576 V577 D578H570-S574 WeakPolarHBondContact O-CB 3.35Å; H570-S574 PolarHBondContact O-N 3.5Å; T571-S574 PolarHBondContact O-N 2.95Å; S574-K576 VanDerWaalsContact C-N 3.28Å; S574-K576 PolarHBondContact O-N 2.95Å; S574-V577 WeakPolarHBondContact O-CB 3.19Å; S574-V577 PolarHBondContact O-N 3.21Å; S574-D578 PolarHBondContact O-N 3.49Å
575L90.6Very high85.5Confident107 Ų10798.3 Ų98.356%0.5653%0.525SS*.Hα-helixtrans-60-38.8177.2-71.8169.6000111.9T571 Q572 V577 D578 E579T571-L575 VanDerWaalsContact O-CG 3.31Å; T571-L575 WeakPolarHBondContact O-CG 3.41Å; T571-L575 PolarHBondContact O-N 3.45Å; Q572-L575 PolarHBondContact O-N 3.28Å; L575-V577 VanDerWaalsContact C-N 3.32Å; L575-V577 PolarHBondContact O-N 2.96Å; L575-D578 PolarHBondContact O-N 2.9Å; L575-E579 WeakPolarHBondContact O-CB 3.44Å; L575-E579 WeakPolarHBondContact O-CG 3.31Å; L575-E579 PolarHBondContact O-N 3.46Å
576K90.3Very high86.4Confident126 Ų12699.9 Ų99.955%0.54853%0.527SS..Hα-helixtrans-60.6-40.2174-160.288.2178.5-174.20112.1Q572 T573 S574 L580Q572-K576 WeakPolarHBondContact O-CB 3.35Å; Q572-K576 PolarHBondContact O-N 2.97Å; T573-K576 WeakPolarHBondContact O-CB 3.5Å; T573-K576 PolarHBondContact O-N 3.04Å; S574-K576 VanDerWaalsContact C-N 3.28Å; S574-K576 PolarHBondContact O-N 2.95Å; K576-L580 HydrophobicContact CG-CD1 4.43Å; K576-L580 WeakPolarHBondContact O-CB 3.41Å; K576-L580 VanDerWaalsContact O-CG 3.22Å; K576-L580 WeakPolarHBondContact O-CG 3.49Å; K576-L580 PolarHBondContact O-N 3.23Å
577V88.6Confident87.2Confident80 Ų80102.1 Ų102.149%0.48553%0.532SS..Hα-helixtrans-68-42.4177.1169.30000110.5T573 S574 L575 L580 M581T573-V577 WeakPolarHBondContact O-CG2 3.5Å; T573-V577 PolarHBondContact O-N 3.23Å; S574-V577 WeakPolarHBondContact O-CB 3.19Å; S574-V577 PolarHBondContact O-N 3.21Å; L575-V577 VanDerWaalsContact C-N 3.32Å; L575-V577 PolarHBondContact O-N 2.96Å; V577-L580 PolarHBondContact O-N 3.33Å; V577-M581 HydrophobicContact CG1-CE 4.05Å; V577-M581 HydrophobicContact CG1-SD 4.46Å; V577-M581 WeakPolarHBondContact O-CG 3.47Å; V577-M581 PolarHBondContact O-N 3.39Å
578D92.2Very high87.9Confident82 Ų8299.5 Ų99.544%0.43952%0.522SS..Hα-helixtrans-63.6-42.6175.1-68.3-37.2000112.5S574 L575 L580 M581 A582S574-D578 PolarHBondContact O-N 3.49Å; L575-D578 PolarHBondContact O-N 2.9Å; D578-L580 PolarHBondContact O-N 2.94Å; D578-M581 PolarHBondContact O-N 2.9Å; D578-M581 WeakPolarHBondContact OD1-CE 3.48Å; D578-A582 WeakPolarHBondContact O-CB 3.41Å; D578-A582 PolarHBondContact O-N 3.22Å
579E93.1Very high88.8Confident127 Ų12799.6 Ų99.659%0.59352%0.519SS*.Hα-helixtrans-59.6-44.3172.7-77.5179.6172.300112L575 A582 A583L575-E579 WeakPolarHBondContact O-CB 3.44Å; L575-E579 WeakPolarHBondContact O-CG 3.31Å; L575-E579 PolarHBondContact O-N 3.46Å; E579-A582 PolarHBondContact O-N 2.93Å; E579-A583 WeakPolarHBondContact O-CB 3.45Å; E579-A583 PolarHBondContact O-N 3.5Å
580L91Very high89.6Confident113 Ų11399.2 Ų99.259%0.59252%0.517SS*.Hα-helixtrans-68-38.9178.1-73.5170.5000112.1K576 V577 D578 A583 L584K576-L580 HydrophobicContact CG-CD1 4.43Å; K576-L580 WeakPolarHBondContact O-CB 3.41Å; K576-L580 VanDerWaalsContact O-CG 3.22Å; K576-L580 WeakPolarHBondContact O-CG 3.49Å; K576-L580 PolarHBondContact O-N 3.23Å; V577-L580 PolarHBondContact O-N 3.33Å; D578-L580 PolarHBondContact O-N 2.94Å; L580-A583 PolarHBondContact O-N 3.27Å; L580-L584 WeakPolarHBondContact O-CB 3.4Å; L580-L584 PolarHBondContact O-N 3.28Å
581M89.8Confident90.1Very high105 Ų10597.1 Ų97.152%0.51751%0.509SS..Hα-helixtrans-64.8-41.1173.3-73.4-170.1-6100111.8V577 D578 L584 K585V577-M581 HydrophobicContact CG1-CE 4.05Å; V577-M581 HydrophobicContact CG1-SD 4.46Å; V577-M581 WeakPolarHBondContact O-CG 3.47Å; V577-M581 PolarHBondContact O-N 3.39Å; D578-M581 PolarHBondContact O-N 2.9Å; D578-M581 WeakPolarHBondContact OD1-CE 3.48Å; M581-L584 PolarHBondContact O-N 3.32Å; M581-K585 WeakPolarHBondContact O-CB 2.87Å; M581-K585 PolarHBondContact O-N 3.12Å
582A93.3Very high90.7Very high63 Ų63100.3 Ų100.352%0.52151%0.512SS..Hα-helixtrans-65.5-40.5175.200000112D578 E579 K586D578-A582 WeakPolarHBondContact O-CB 3.41Å; D578-A582 PolarHBondContact O-N 3.22Å; E579-A582 PolarHBondContact O-N 2.93Å; A582-K586 WeakPolarHBondContact O-CB 3.23Å; A582-K586 PolarHBondContact O-N 2.73Å
583A92.4Very high91.2Very high52 Ų5296 Ų9643%0.4350%0.499SS..Hα-helixtrans-65.5-41.2175.200000112.3E579 L580 K586 K587E579-A583 WeakPolarHBondContact O-CB 3.45Å; E579-A583 PolarHBondContact O-N 3.5Å; L580-A583 PolarHBondContact O-N 3.27Å; A583-K586 PolarHBondContact O-N 3.05Å; A583-K587 WeakPolarHBondContact O-CG 3.3Å; A583-K587 PolarHBondContact O-N 3.49Å
584L89.8Confident91.4Very high111 Ų11197.2 Ų97.258%0.58150%0.5SS*.Hα-helixtrans-62.9-50.3175.6-173.668.5000110.9L580 M581 K586 K587 D588L580-L584 WeakPolarHBondContact O-CB 3.4Å; L580-L584 PolarHBondContact O-N 3.28Å; M581-L584 PolarHBondContact O-N 3.32Å; L584-K586 VanDerWaalsContact C-N 3.29Å; L584-K586 PolarHBondContact O-N 3.5Å; L584-K587 CarbonylContact O-C 3.58Å; L584-K587 WeakPolarHBondContact O-CA 3.41Å; L584-K587 WeakPolarHBondContact O-CB 2.8Å; L584-K587 PolarHBondContact O-N 3.17Å; L584-D588 PolarHBondContact O-N 3.3Å
585K94.1Very high91.5Very high140 Ų14099.9 Ų99.961%0.60951%0.506SS*.Hα-helixtrans-56.7-42.5176.4-176.6178.4178.7-178.80112.2M581 K587 D588 D589M581-K585 WeakPolarHBondContact O-CB 2.87Å; M581-K585 PolarHBondContact O-N 3.12Å; K585-K587 VanDerWaalsContact C-N 3.31Å; K585-K587 PolarHBondContact O-N 2.93Å; K585-D588 PolarHBondContact O-N 2.85Å; K585-D589 PolarHBondContact O-N 3.01Å
586K94.9Very high91.6Very high135 Ų135101.3 Ų101.359%0.58751%0.51SS*.Hα-helixtrans-62-38.4174.6-176178.5177.6-179.30112A582 A583 L584 D589 D590A582-K586 WeakPolarHBondContact O-CB 3.23Å; A582-K586 PolarHBondContact O-N 2.73Å; A583-K586 PolarHBondContact O-N 3.05Å; L584-K586 VanDerWaalsContact C-N 3.29Å; L584-K586 PolarHBondContact O-N 3.5Å; K586-D589 PolarHBondContact O-N 3.41Å; K586-D590 WeakPolarHBondContact O-CB 3.1Å; K586-D590 VanDerWaalsContact O-CG 3.3Å; K586-D590 PolarHBondContact O-N 2.89Å
587K91.4Very high91.7Very high138 Ų138103.1 Ų103.160%0.651%0.513SS*.Hα-helixtrans-66.6-37.4174.9-73.2-69.9-175.7-1800112.5A583 L584 K585 D590 M591A583-K587 WeakPolarHBondContact O-CG 3.3Å; A583-K587 PolarHBondContact O-N 3.49Å; L584-K587 CarbonylContact O-C 3.58Å; L584-K587 WeakPolarHBondContact O-CA 3.41Å; L584-K587 WeakPolarHBondContact O-CB 2.8Å; L584-K587 PolarHBondContact O-N 3.17Å; K585-K587 VanDerWaalsContact C-N 3.31Å; K585-K587 PolarHBondContact O-N 2.93Å; K587-D590 PolarHBondContact O-N 3.45Å; K587-M591 WeakPolarHBondContact O-CB 3.25Å; K587-M591 PolarHBondContact O-N 3.16Å
588D91.4Very high91.6Very high67 Ų67106.2 Ų106.236%0.35852%0.517SS..Hα-helixtrans-67.1-37.3174-64.7-32.5000112L584 K585 R592L584-D588 PolarHBondContact O-N 3.3Å; K585-D588 PolarHBondContact O-N 2.85Å; D588-R592 WeakPolarHBondContact O-CG 3.36Å; D588-R592 PolarHBondContact O-N 3.22Å; D588-R592 PolarHBondContact O-NE 2.93Å
589D94.2Very high91.6Very high70 Ų70109.6 Ų109.637%0.37453%0.528SS..Hα-helixtrans-67.2-46.1173.5-68.8-23.5000111.7K585 K586 M591 R592 A593K585-D589 PolarHBondContact O-N 3.01Å; K586-D589 PolarHBondContact O-N 3.41Å; D589-M591 VanDerWaalsContact C-N 3.3Å; D589-M591 PolarHBondContact O-N 3.34Å; D589-R592 PolarHBondContact O-N 3.31Å; D589-R592 IonicContact OD1-CZ 3.25Å; D589-R592 IonicContact OD1-NE 3.08Å; D589-R592 IonicContact OD1-NH2 2.8Å; D589-R592 PolarHBondContact OD1-NH2 3.4Å; D589-A593 WeakPolarHBondContact O-CB 2.93Å; D589-A593 PolarHBondContact O-N 3.46Å
590D92.8Very high91.6Very high84 Ų84109.3 Ų109.345%0.44953%0.528SS..Hα-helixtrans-60.4-39.1174.3-75.3-24000111.5K586 K587 M594K586-D590 WeakPolarHBondContact O-CB 3.1Å; K586-D590 VanDerWaalsContact O-CG 3.3Å; K586-D590 PolarHBondContact O-N 2.89Å; K587-D590 PolarHBondContact O-N 3.45Å; D590-M594 WeakPolarHBondContact O-CB 3.23Å; D590-M594 PolarHBondContact O-N 3.04Å
591M89Confident91.5Very high98 Ų98111 Ų11148%0.48353%0.528SS..Hα-helixtrans-67.7-46.2178.5-175.7158.462.700111.5K587 D589 A593 M594 E595K587-M591 WeakPolarHBondContact O-CB 3.25Å; K587-M591 PolarHBondContact O-N 3.16Å; D589-M591 VanDerWaalsContact C-N 3.3Å; D589-M591 PolarHBondContact O-N 3.34Å; M591-A593 PolarHBondContact O-N 2.98Å; M591-M594 WeakPolarHBondContact O-CA 2.99Å; M591-M594 WeakPolarHBondContact O-CB 3.33Å; M591-M594 PolarHBondContact O-N 2.97Å; M591-M594 VanDerWaalsContact O-N 3.07Å; M591-E595 WeakPolarHBondContact O-CG 3.1Å; M591-E595 PolarHBondContact O-N 2.99Å
592R93Very high91.5Very high141 Ų141111 Ų11153%0.53253%0.529SS..Hα-helixtrans-60.5-42.7173.8-75-175-73.2-170.3-3112.4D588 D589 M594 E595 E596D588-R592 WeakPolarHBondContact O-CG 3.36Å; D588-R592 PolarHBondContact O-N 3.22Å; D588-R592 PolarHBondContact O-NE 2.93Å; D589-R592 PolarHBondContact O-N 3.31Å; D589-R592 IonicContact OD1-CZ 3.25Å; D589-R592 IonicContact OD1-NE 3.08Å; D589-R592 IonicContact OD1-NH2 2.8Å; D589-R592 PolarHBondContact OD1-NH2 3.4Å; R592-M594 VanDerWaalsContact C-N 3.26Å; R592-M594 PolarHBondContact O-N 3.09Å; R592-E595 PolarHBondContact O-N 2.71Å; R592-E596 PolarHBondContact O-N 3.39Å
593A93.3Very high91.3Very high39 Ų39112 Ų11232%0.32252%0.523SS..Hα-helixtrans-63.4-32.3174.400000112.4D589 M591 R597D589-A593 WeakPolarHBondContact O-CB 2.93Å; D589-A593 PolarHBondContact O-N 3.46Å; M591-A593 PolarHBondContact O-N 2.98Å; A593-R597 VanDerWaalsContact O-CG 3.25Å; A593-R597 WeakPolarHBondContact O-CG 3.22Å; A593-R597 PolarHBondContact O-N 2.9Å
594M88.4Confident91.2Very high103 Ų103115.7 Ų115.751%0.50753%0.53SS..Hα-helixtrans-69.8-43.3173.3-163.5-169.4-60.100111.7D590 M591 R592 R597 Y598D590-M594 WeakPolarHBondContact O-CB 3.23Å; D590-M594 PolarHBondContact O-N 3.04Å; M591-M594 WeakPolarHBondContact O-CA 2.99Å; M591-M594 WeakPolarHBondContact O-CB 3.33Å; M591-M594 PolarHBondContact O-N 2.97Å; M591-M594 VanDerWaalsContact O-N 3.07Å; R592-M594 VanDerWaalsContact C-N 3.26Å; R592-M594 PolarHBondContact O-N 3.09Å; M594-R597 PolarHBondContact O-N 2.84Å; M594-Y598 HydrophobicContact CG-CD2 3.88Å; M594-Y598 HydrophobicContact CG-CE2 3.56Å; M594-Y598 VanDerWaalsContact O-CD2 3.25Å; M594-Y598 WeakPolarHBondContact O-CD2 3.34Å; M594-Y598 PolarHBondContact O-N 3.18Å; M594-Y598 HydrophobicContact SD-CD2 4.45Å; M594-Y598 HydrophobicContact SD-CE2 3.65Å
595E88.2Confident90.9Very high117 Ų117112.6 Ų112.655%0.54752%0.52SS..Hα-helixtrans-60.8-44.3175.6-71.7176.9165.200112.2M591 R592 R597 Y598 K599M591-E595 WeakPolarHBondContact O-CG 3.1Å; M591-E595 PolarHBondContact O-N 2.99Å; R592-E595 PolarHBondContact O-N 2.71Å; E595-R597 PolarHBondContact O-N 3.38Å; E595-Y598 PolarHBondContact O-N 3.37Å; E595-K599 WeakPolarHBondContact O-CB 3.45Å; E595-K599 PolarHBondContact O-N 3.08Å
596E92.6Very high90.4Very high136 Ų136112.8 Ų112.864%0.63652%0.517SS*.Hα-helixtrans-61.7-42.7174.8-73.3-170.3154.400112R592 K599 M600R592-E596 PolarHBondContact O-N 3.39Å; E596-K599 WeakPolarHBondContact O-CB 3.01Å; E596-K599 PolarHBondContact O-N 2.91Å; E596-M600 WeakPolarHBondContact O-CG 3.33Å; E596-M600 PolarHBondContact O-N 2.95Å
597R91.7Very high89.8Confident164 Ų164110 Ų11062%0.61951%0.509SS*.Hα-helixtrans-62.4-44.6174.3-72.8172.9-171.8-163.34.7111.6A593 M594 E595 K599 M600 Y601A593-R597 VanDerWaalsContact O-CG 3.25Å; A593-R597 WeakPolarHBondContact O-CG 3.22Å; A593-R597 PolarHBondContact O-N 2.9Å; M594-R597 PolarHBondContact O-N 2.84Å; E595-R597 PolarHBondContact O-N 3.38Å; R597-K599 VanDerWaalsContact C-N 3.33Å; R597-K599 PolarHBondContact O-N 2.63Å; R597-M600 PolarHBondContact O-N 3.15Å; R597-Y601 HydrophobicContact CB-CE2 4.15Å; R597-Y601 WeakPolarHBondContact O-CD2 3.28Å; R597-Y601 PolarHBondContact O-N 2.6Å
598Y88Confident89.4Confident145 Ų145107.5 Ų107.557%0.56951%0.505SS*.Hα-helixtrans-60.7-41.9174.5-81.8-56.9000112.1M594 E595 M600 Y601 L602M594-Y598 HydrophobicContact CG-CD2 3.88Å; M594-Y598 HydrophobicContact CG-CE2 3.56Å; M594-Y598 VanDerWaalsContact O-CD2 3.25Å; M594-Y598 WeakPolarHBondContact O-CD2 3.34Å; M594-Y598 PolarHBondContact O-N 3.18Å; M594-Y598 HydrophobicContact SD-CD2 4.45Å; M594-Y598 HydrophobicContact SD-CE2 3.65Å; E595-Y598 PolarHBondContact O-N 3.37Å; Y598-M600 PolarHBondContact O-N 2.99Å; Y598-Y601 PolarHBondContact O-N 2.91Å; Y598-L602 WeakPolarHBondContact O-CB 3.45Å; Y598-L602 WeakPolarHBondContact O-CG 3.42Å; Y598-L602 PolarHBondContact O-N 2.78Å
599K92.3Very high88.8Confident154 Ų154110 Ų11067%0.6752%0.517SS*.Hα-helixtrans-60.2-43.8174.4-170.3177.5-180-178.70111.4E595 E596 R597 L602 E603E595-K599 WeakPolarHBondContact O-CB 3.45Å; E595-K599 PolarHBondContact O-N 3.08Å; E596-K599 WeakPolarHBondContact O-CB 3.01Å; E596-K599 PolarHBondContact O-N 2.91Å; R597-K599 VanDerWaalsContact C-N 3.33Å; R597-K599 PolarHBondContact O-N 2.63Å; K599-L602 PolarHBondContact O-N 2.91Å; K599-E603 WeakPolarHBondContact O-CB 3.33Å; K599-E603 PolarHBondContact O-N 2.91Å
600M92.2Very high88Confident120 Ų120113.7 Ų113.759%0.59153%0.525SS*.Hα-helixtrans-63.6-39.9173.6-70-177.277.800113E596 R597 Y598 E603 K604E596-M600 WeakPolarHBondContact O-CG 3.33Å; E596-M600 PolarHBondContact O-N 2.95Å; R597-M600 PolarHBondContact O-N 3.15Å; Y598-M600 PolarHBondContact O-N 2.99Å; M600-E603 PolarHBondContact O-N 3.49Å; M600-K604 WeakPolarHBondContact O-CB 3.19Å; M600-K604 WeakPolarHBondContact O-CG 3.36Å; M600-K604 PolarHBondContact O-N 2.81Å
601Y89.6Confident87Confident150 Ų150112.2 Ų112.259%0.58853%0.525SS*.Hα-helixtrans-67.4-40.1176.4-68.6-52.5000112.1R597 Y598 K604 A605R597-Y601 HydrophobicContact CB-CE2 4.15Å; R597-Y601 WeakPolarHBondContact O-CD2 3.28Å; R597-Y601 PolarHBondContact O-N 2.6Å; Y598-Y601 PolarHBondContact O-N 2.91Å; Y601-K604 PolarHBondContact O-N 2.97Å; Y601-A605 WeakPolarHBondContact O-CB 3.14Å; Y601-A605 PolarHBondContact O-N 2.89Å
602L89.1Confident86Confident104 Ų104113.6 Ų113.655%0.54553%0.534SS..Hα-helixtrans-63.2-40.7173.2-72.4169.5000111.6Y598 K599 A605 R606Y598-L602 WeakPolarHBondContact O-CB 3.45Å; Y598-L602 WeakPolarHBondContact O-CG 3.42Å; Y598-L602 PolarHBondContact O-N 2.78Å; K599-L602 PolarHBondContact O-N 2.91Å; L602-A605 PolarHBondContact O-N 2.73Å; L602-R606 WeakPolarHBondContact O-CB 3.1Å; L602-R606 VanDerWaalsContact O-CG 3.29Å; L602-R606 WeakPolarHBondContact O-CG 3.18Å; L602-R606 PolarHBondContact O-N 2.99Å
603E89.6Confident84.9Confident85 Ų85109.9 Ų109.940%0.39752%0.524SS..Hα-helixtrans-68.4-39.8177.1-15166.5-17300111.9K599 M600 R606 N607K599-E603 WeakPolarHBondContact O-CB 3.33Å; K599-E603 PolarHBondContact O-N 2.91Å; M600-E603 PolarHBondContact O-N 3.49Å; E603-R606 PolarHBondContact O-N 3.39Å; E603-R606 IonicContact OE2-CZ 2.77Å; E603-R606 IonicContact OE2-NH1 3.5Å; E603-R606 PolarHBondContact OE2-NH1 3.45Å; E603-N607 WeakPolarHBondContact O-CB 3.33Å; E603-N607 VanDerWaalsContact O-CG 3.3Å; E603-N607 PolarHBondContact O-N 3.29Å; E603-N607 PolarHBondContact O-ND2 3.18Å
604K88.7Confident83.4Confident128 Ų128111.4 Ų111.456%0.55753%0.531SS*.Hα-helixtrans-61.7-44.2170.6-75.9-179.4179.7-174.20111.8M600 Y601 N607 V608M600-K604 WeakPolarHBondContact O-CB 3.19Å; M600-K604 WeakPolarHBondContact O-CG 3.36Å; M600-K604 PolarHBondContact O-N 2.81Å; Y601-K604 PolarHBondContact O-N 2.97Å; K604-N607 PolarHBondContact O-N 2.98Å; K604-V608 WeakPolarHBondContact O-CG2 3.2Å; K604-V608 PolarHBondContact O-N 2.97Å
605A83.4Confident82.2Confident46 Ų46115.8 Ų115.838%0.3855%0.547SS..Hα-helixtrans-62.3-43.1176.700000111.7Y601 L602 N607 V608 I609Y601-A605 WeakPolarHBondContact O-CB 3.14Å; Y601-A605 PolarHBondContact O-N 2.89Å; L602-A605 PolarHBondContact O-N 2.73Å; A605-N607 VanDerWaalsContact C-N 3.34Å; A605-N607 PolarHBondContact O-N 3.45Å; A605-V608 PolarHBondContact O-N 3.38Å; A605-I609 WeakPolarHBondContact O-CB 3.11Å; A605-I609 WeakPolarHBondContact O-CD1 3.45Å; A605-I609 VanDerWaalsContact O-CG1 3.25Å; A605-I609 WeakPolarHBondContact O-CG1 3.38Å; A605-I609 PolarHBondContact O-N 3.27Å
606R84.5Confident80.9Confident145 Ų145115.4 Ų115.455%0.54755%0.548SS..Hα-helixtrans-59-42.3172.4-74.5167.8178.1164.5-2.5112.4L602 E603 I609 R610L602-R606 WeakPolarHBondContact O-CB 3.1Å; L602-R606 VanDerWaalsContact O-CG 3.29Å; L602-R606 WeakPolarHBondContact O-CG 3.18Å; L602-R606 PolarHBondContact O-N 2.99Å; E603-R606 PolarHBondContact O-N 3.39Å; E603-R606 IonicContact OE2-CZ 2.77Å; E603-R606 IonicContact OE2-NH1 3.5Å; E603-R606 PolarHBondContact OE2-NH1 3.45Å; R606-I609 PolarHBondContact O-N 3.18Å; R606-R610 WeakPolarHBondContact O-CB 3.46Å; R606-R610 PolarHBondContact O-N 2.78Å
607N82.4Confident79.6Confident77 Ų77111 Ų11141%0.41253%0.529SS..Hα-helixtrans-68.7-38.5178-72.1-25.1000112.3E603 K604 A605 R610 A611E603-N607 WeakPolarHBondContact O-CB 3.33Å; E603-N607 VanDerWaalsContact O-CG 3.3Å; E603-N607 PolarHBondContact O-N 3.29Å; E603-N607 PolarHBondContact O-ND2 3.18Å; K604-N607 PolarHBondContact O-N 2.98Å; A605-N607 VanDerWaalsContact C-N 3.34Å; A605-N607 PolarHBondContact O-N 3.45Å; N607-R610 PolarHBondContact O-N 2.59Å; N607-R610 PolarHBondContact OD1-NH1 2.7Å; N607-A611 WeakPolarHBondContact O-CB 3.08Å; N607-A611 PolarHBondContact O-N 2.53Å
608V83.2Confident78.4Confident85 Ų85108.2 Ų108.252%0.51553%0.532SS..Hα-helixtrans-64.2-45.2172.3170.50000110.8K604 A605 R610 A611 L612K604-V608 WeakPolarHBondContact O-CG2 3.2Å; K604-V608 PolarHBondContact O-N 2.97Å; A605-V608 PolarHBondContact O-N 3.38Å; V608-R610 VanDerWaalsContact C-N 3.32Å; V608-R610 PolarHBondContact O-N 2.79Å; V608-A611 CarbonylContact O-C 3.56Å; V608-A611 PolarHBondContact O-N 2.73Å; V608-A611 VanDerWaalsContact O-N 3.16Å; V608-L612 HydrophobicContact CG1-CD1 3.72Å; V608-L612 HydrophobicContact CG1-CG 4.29Å; V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 VanDerWaalsContact O-CG 3.3Å; V608-L612 WeakPolarHBondContact O-CG 3.35Å; V608-L612 PolarHBondContact O-N 3.17Å
609I78.4Confident77.4Confident119 Ų119103.4 Ų103.461%0.6152%0.523SS*.Hα-helixtrans-59.5-43.4174.8-69.4163.3000110.7A605 R606 A611 L612 D613A605-I609 WeakPolarHBondContact O-CB 3.11Å; A605-I609 WeakPolarHBondContact O-CD1 3.45Å; A605-I609 VanDerWaalsContact O-CG1 3.25Å; A605-I609 WeakPolarHBondContact O-CG1 3.38Å; A605-I609 PolarHBondContact O-N 3.27Å; R606-I609 PolarHBondContact O-N 3.18Å; I609-A611 VanDerWaalsContact C-N 3.32Å; I609-A611 PolarHBondContact O-N 3.47Å; I609-L612 CarbonylContact O-C 3.6Å; I609-L612 PolarHBondContact O-N 2.96Å; I609-D613 PolarHBondContact O-N 2.93Å
610R78.5Confident76.3Confident147 Ų14798 Ų9856%0.55550%0.502SS*.Hα-helixtrans-64.7-34176.5-169-175.4-66.7150.7-0.5112.8R606 N607 V608 L616R606-R610 WeakPolarHBondContact O-CB 3.46Å; R606-R610 PolarHBondContact O-N 2.78Å; N607-R610 PolarHBondContact O-N 2.59Å; N607-R610 PolarHBondContact OD1-NH1 2.7Å; V608-R610 VanDerWaalsContact C-N 3.32Å; V608-R610 PolarHBondContact O-N 2.79Å; R610-L616 HydrophobicContact CG-CD1 3.99Å
611A71.5Confident75.4Confident53 Ų5395 Ų9544%0.43850%0.496SS..Hα-helixtrans-78.3-21.817500000113.3N607 V608 I609 N617N607-A611 WeakPolarHBondContact O-CB 3.08Å; N607-A611 PolarHBondContact O-N 2.53Å; V608-A611 CarbonylContact O-C 3.56Å; V608-A611 PolarHBondContact O-N 2.73Å; V608-A611 VanDerWaalsContact O-N 3.16Å; I609-A611 VanDerWaalsContact C-N 3.32Å; I609-A611 PolarHBondContact O-N 3.47Å; A611-N617 WeakPolarHBondContact O-CB 3.22Å; A611-N617 PolarHBondContact O-ND2 2.88Å
612L68.1Low74.8Confident128 Ų12894 Ų9467%0.6750%0.497SS*.Hα-helixtrans-90.8-12.9174.3-69.2173.3000113.2V608 I609 P614V608-L612 HydrophobicContact CG1-CD1 3.72Å; V608-L612 HydrophobicContact CG1-CG 4.29Å; V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 VanDerWaalsContact O-CG 3.3Å; V608-L612 WeakPolarHBondContact O-CG 3.35Å; V608-L612 PolarHBondContact O-N 3.17Å; I609-L612 CarbonylContact O-C 3.6Å; I609-L612 PolarHBondContact O-N 2.96Å; L612-P614 WeakPolarHBondContact O-CD 3.49Å
613D69.6Low74.4Confident62 Ų6293.2 Ų93.233%0.33249%0.493SS..  trans-66.6114.3174-173.2-21.3000110.1I609 K615 L616 N617I609-D613 PolarHBondContact O-N 2.93Å; D613-K615 PolarHBondContact O-N 3.44Å; D613-K615 WeakPolarHBondContact OD1-CB 3.49Å; D613-K615 PolarHBondContact OD1-N 3.5Å; D613-L616 HydrophobicContact CB-CB 4.33Å; D613-L616 HydrophobicContact CB-CD1 4.34Å; D613-L616 PolarHBondContact O-N 2.81Å; D613-N617 PolarHBondContact O-N 3.16Å; D613-N617 VanDerWaalsContact O-N 3.17Å
614P61.6Low74Confident71 Ų7195.5 Ų95.546%0.46150%0.504SS..THydrogen-bonded Turntrans-58-21.7-177.6-27.437.8000114.7L612 T620L612-P614 WeakPolarHBondContact O-CD 3.49Å; P614-T620 HydrophobicContact CB-CG2 3.65Å; P614-T620 HydrophobicContact CG-CG2 4.38Å
615K62Low73.7Confident195 Ų19591.7 Ų91.785%0.84850%0.496SS*.THydrogen-bonded Turntrans-86.5-16.2-178.5-63.4-178.6179.2178.60113.7D613D613-K615 PolarHBondContact O-N 3.44Å; D613-K615 WeakPolarHBondContact OD1-CB 3.49Å; D613-K615 PolarHBondContact OD1-N 3.5Å
616L61.1Low73.8Confident110 Ų11093.6 Ų93.658%0.57650%0.499SS*.THydrogen-bonded Turntrans-114.6-16.6-174.6-65174.7000113.1R610 D613R610-L616 HydrophobicContact CG-CD1 3.99Å; D613-L616 HydrophobicContact CB-CB 4.33Å; D613-L616 HydrophobicContact CB-CD1 4.34Å; D613-L616 PolarHBondContact O-N 2.81Å
617N66.1Low73.8Confident44 Ų4495.3 Ų95.324%0.23551%0.506CS..  trans-89.4117.8176.2-174.6-15.4000111.6A611 D613 A619 T620 A621A611-N617 WeakPolarHBondContact O-CB 3.22Å; A611-N617 PolarHBondContact O-ND2 2.88Å; D613-N617 PolarHBondContact O-N 3.16Å; D613-N617 VanDerWaalsContact O-N 3.17Å; N617-A619 VanDerWaalsContact C-N 3.26Å; N617-A619 PolarHBondContact O-N 2.93Å; N617-A619 WeakPolarHBondContact OD1-CB 3.08Å; N617-A619 PolarHBondContact OD1-N 3.24Å; N617-T620 PolarHBondContact O-N 3.41Å; N617-A621 PolarHBondContact O-N 3.07Å
618P66.8Low74.2Confident104 Ų10494.9 Ų94.968%0.67551%0.509SS*.Hα-helixtrans-60.6-32.8179.724.3-33.7000113.2T620 A621 E622P618-T620 VanDerWaalsContact C-N 3.3Å; P618-T620 PolarHBondContact O-N 3.47Å; P618-A621 PolarHBondContact O-N 2.85Å; P618-E622 PolarHBondContact O-N 3.4Å
619A67.4Low74.5Confident45 Ų4595.9 Ų95.937%0.37251%0.507SS..Hα-helixtrans-66.8-31.7176.500000112N617 I623N617-A619 VanDerWaalsContact C-N 3.26Å; N617-A619 PolarHBondContact O-N 2.93Å; N617-A619 WeakPolarHBondContact OD1-CB 3.08Å; N617-A619 PolarHBondContact OD1-N 3.24Å; A619-I623 WeakPolarHBondContact O-CB 3.49Å; A619-I623 WeakPolarHBondContact O-CD1 3.38Å; A619-I623 WeakPolarHBondContact O-CG1 3.28Å; A619-I623 PolarHBondContact O-N 2.72Å
620T69.1Low75.1Confident39 Ų3995.3 Ų95.324%0.23951%0.505CS..Hα-helixtrans-75.9-34.9176.5-450000111.9P614 N617 P618 I623 Q624P614-T620 HydrophobicContact CB-CG2 3.65Å; P614-T620 HydrophobicContact CG-CG2 4.38Å; N617-T620 PolarHBondContact O-N 3.41Å; P618-T620 VanDerWaalsContact C-N 3.3Å; P618-T620 PolarHBondContact O-N 3.47Å; T620-I623 PolarHBondContact O-N 3.01Å; T620-Q624 WeakPolarHBondContact O-CB 3.47Å; T620-Q624 PolarHBondContact O-N 3.27Å
621A72.4Confident75.7Confident57 Ų5790.9 Ų90.947%0.47150%0.5SS..Hα-helixtrans-62.7-41.5170.500000111.9N617 P618 Q624 A625N617-A621 PolarHBondContact O-N 3.07Å; P618-A621 PolarHBondContact O-N 2.85Å; A621-Q624 PolarHBondContact O-N 2.81Å; A621-A625 WeakPolarHBondContact O-CB 3.36Å; A621-A625 PolarHBondContact O-N 2.59Å
622E77.5Confident76.7Confident129 Ų12992.8 Ų92.860%0.60350%0.503SS*.Hα-helixtrans-65.1-45.8175.3-173.7170.3-152.300112.2P618 Q624 A625 L626P618-E622 PolarHBondContact O-N 3.4Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.49Å; E622-A625 WeakPolarHBondContact O-CB 3.1Å; E622-A625 PolarHBondContact O-N 3.08Å; E622-A625 VanDerWaalsContact O-N 3.17Å; E622-L626 HydrophobicContact CG-CD1 4.33Å; E622-L626 WeakPolarHBondContact O-CG 3.42Å; E622-L626 PolarHBondContact O-N 2.71Å
623I79.8Confident77.7Confident89 Ų8993.5 Ų93.546%0.45650%0.497SS..Hα-helixtrans-59-38.6173.1-70.7164000111.4A619 T620 R627A619-I623 WeakPolarHBondContact O-CB 3.49Å; A619-I623 WeakPolarHBondContact O-CD1 3.38Å; A619-I623 WeakPolarHBondContact O-CG1 3.28Å; A619-I623 PolarHBondContact O-N 2.72Å; T620-I623 PolarHBondContact O-N 3.01Å; I623-R627 WeakPolarHBondContact O-CB 3.42Å; I623-R627 VanDerWaalsContact O-CG 3.31Å; I623-R627 WeakPolarHBondContact O-CG 3.42Å; I623-R627 PolarHBondContact O-N 2.86Å
624Q81.2Confident78.7Confident133 Ų13394.8 Ų94.862%0.62150%0.504SS*.Hα-helixtrans-70.6-36.3177.4-170.5165.3-2.700112.2T620 A621 E622 R627 S628T620-Q624 WeakPolarHBondContact O-CB 3.47Å; T620-Q624 PolarHBondContact O-N 3.27Å; A621-Q624 PolarHBondContact O-N 2.81Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.49Å; Q624-R627 PolarHBondContact O-N 2.91Å; Q624-S628 PolarHBondContact O-N 3.22Å
625A83.6Confident80.3Confident47 Ų4797.8 Ų97.839%0.38851%0.509SS..Hα-helixtrans-65-44.617200000111.9A621 E622 R627 S628 Q629A621-A625 WeakPolarHBondContact O-CB 3.36Å; A621-A625 PolarHBondContact O-N 2.59Å; E622-A625 WeakPolarHBondContact O-CB 3.1Å; E622-A625 PolarHBondContact O-N 3.08Å; E622-A625 VanDerWaalsContact O-N 3.17Å; A625-R627 PolarHBondContact O-N 3.17Å; A625-S628 WeakPolarHBondContact O-CB 3.13Å; A625-S628 PolarHBondContact O-N 3.04Å; A625-S628 VanDerWaalsContact O-N 3.17Å; A625-Q629 WeakPolarHBondContact O-CG 3.34Å; A625-Q629 PolarHBondContact O-N 2.93Å
626L85.9Confident81.8Confident87 Ų8793.4 Ų93.446%0.45549%0.492SS..Hα-helixtrans-62.5-40.3175.5-70.7170.8000112E622 S628 Q629 L630E622-L626 HydrophobicContact CG-CD1 4.33Å; E622-L626 WeakPolarHBondContact O-CG 3.42Å; E622-L626 PolarHBondContact O-N 2.71Å; L626-S628 VanDerWaalsContact C-N 3.34Å; L626-S628 PolarHBondContact O-N 3.39Å; L626-Q629 PolarHBondContact O-N 2.92Å; L626-L630 WeakPolarHBondContact O-CG 3.1Å; L626-L630 PolarHBondContact O-N 3.38Å
627R84.4Confident83.3Confident181 Ų18192.3 Ų92.368%0.68349%0.486SS*.Hα-helixtrans-62.1-38.7172.2-76.9176.4177.1-167.4-1112.8I623 Q624 A625 A631I623-R627 WeakPolarHBondContact O-CB 3.42Å; I623-R627 VanDerWaalsContact O-CG 3.31Å; I623-R627 WeakPolarHBondContact O-CG 3.42Å; I623-R627 PolarHBondContact O-N 2.86Å; Q624-R627 PolarHBondContact O-N 2.91Å; A625-R627 PolarHBondContact O-N 3.17Å; R627-A631 PolarHBondContact O-N 3.49Å
628S89Confident84.6Confident68 Ų6895.6 Ų95.648%0.47650%0.502SS..Hα-helixtrans-64.1-44.9173.5-163.40000111.2Q624 A625 L626 L630 A631 D632Q624-S628 PolarHBondContact O-N 3.22Å; A625-S628 WeakPolarHBondContact O-CB 3.13Å; A625-S628 PolarHBondContact O-N 3.04Å; A625-S628 VanDerWaalsContact O-N 3.17Å; L626-S628 VanDerWaalsContact C-N 3.34Å; L626-S628 PolarHBondContact O-N 3.39Å; S628-L630 VanDerWaalsContact C-N 3.34Å; S628-L630 PolarHBondContact O-N 3Å; S628-A631 PolarHBondContact O-N 2.93Å; S628-D632 PolarHBondContact O-N 3.43Å
629Q91.4Very high85.8Confident105 Ų10594.5 Ų94.549%0.49149%0.491SS..Hα-helixtrans-63.1-38.6178.1-70.1179.124.600112.5A625 L626 D632 R633A625-Q629 WeakPolarHBondContact O-CG 3.34Å; A625-Q629 PolarHBondContact O-N 2.93Å; L626-Q629 PolarHBondContact O-N 2.92Å; Q629-D632 PolarHBondContact O-N 2.87Å; Q629-R633 WeakPolarHBondContact O-CB 3.47Å; Q629-R633 VanDerWaalsContact O-CG 3.23Å; Q629-R633 WeakPolarHBondContact O-CG 3.3Å; Q629-R633 PolarHBondContact O-N 2.91Å
630L89.5Confident87.1Confident108 Ų10896.6 Ų96.657%0.56550%0.496SS*.Hα-helixtrans-62.3-49.8173-75.2168.1000111.1L626 S628 D632 R633 D634L626-L630 WeakPolarHBondContact O-CG 3.1Å; L626-L630 PolarHBondContact O-N 3.38Å; S628-L630 VanDerWaalsContact C-N 3.34Å; S628-L630 PolarHBondContact O-N 3Å; L630-D632 VanDerWaalsContact C-N 3.29Å; L630-D632 PolarHBondContact O-N 3.33Å; L630-R633 CarbonylContact O-C 3.55Å; L630-R633 WeakPolarHBondContact O-CA 3.33Å; L630-R633 WeakPolarHBondContact O-CB 3.42Å; L630-R633 PolarHBondContact O-N 3.28Å; L630-D634 VanDerWaalsContact O-CG 3.3Å; L630-D634 PolarHBondContact O-N 2.78Å
631A91.8Very high88.1Confident54 Ų54100 Ų10045%0.44651%0.509SS..Hα-helixtrans-60-36.5177.700000113.2R627 S628 K635R627-A631 PolarHBondContact O-N 3.49Å; S628-A631 PolarHBondContact O-N 2.93Å; A631-K635 VanDerWaalsContact O-CB 3.31Å; A631-K635 WeakPolarHBondContact O-CB 3.18Å; A631-K635 PolarHBondContact O-N 2.69Å
632D91.6Very high89.2Confident92 Ų92105.3 Ų105.349%0.49252%0.517SS..Hα-helixtrans-68.7-34.9173.8-73.8-38000112.3S628 Q629 L630 Q636S628-D632 PolarHBondContact O-N 3.43Å; Q629-D632 PolarHBondContact O-N 2.87Å; L630-D632 VanDerWaalsContact C-N 3.29Å; L630-D632 PolarHBondContact O-N 3.33Å; D632-Q636 WeakPolarHBondContact O-CB 3.39Å; D632-Q636 PolarHBondContact O-N 2.77Å
633R90.3Very high89.9Confident144 Ų144104.6 Ų104.654%0.54351%0.513SS..Hα-helixtrans-71.5-43.1174.8-71.2-71.3137.671.77.3112.1Q629 L630 K635 Q636 I637Q629-R633 WeakPolarHBondContact O-CB 3.47Å; Q629-R633 VanDerWaalsContact O-CG 3.23Å; Q629-R633 WeakPolarHBondContact O-CG 3.3Å; Q629-R633 PolarHBondContact O-N 2.91Å; L630-R633 CarbonylContact O-C 3.55Å; L630-R633 WeakPolarHBondContact O-CA 3.33Å; L630-R633 WeakPolarHBondContact O-CB 3.42Å; L630-R633 PolarHBondContact O-N 3.28Å; R633-K635 VanDerWaalsContact C-N 3.29Å; R633-K635 PolarHBondContact O-N 3.39Å; R633-Q636 CarbonylContact O-C 3.58Å; R633-Q636 WeakPolarHBondContact O-CA 3.37Å; R633-Q636 WeakPolarHBondContact O-CB 3.48Å; R633-Q636 PolarHBondContact O-N 2.78Å; R633-I637 WeakPolarHBondContact O-CG1 3.48Å; R633-I637 PolarHBondContact O-N 3.39Å
634D91.2Very high90.4Very high89 Ų89104.6 Ų104.648%0.47652%0.52SS..Hα-helixtrans-59.4-42.4174.5-64.4-27.4000110.8L630 Q636 I637 L638L630-D634 VanDerWaalsContact O-CG 3.3Å; L630-D634 PolarHBondContact O-N 2.78Å; D634-Q636 VanDerWaalsContact C-N 3.3Å; D634-Q636 PolarHBondContact O-N 2.91Å; D634-I637 PolarHBondContact O-N 2.88Å; D634-L638 WeakPolarHBondContact O-CG 3.43Å; D634-L638 PolarHBondContact O-N 3.24Å
635K94.3Very high90.9Very high133 Ų133102 Ų10258%0.57851%0.508SS*.Hα-helixtrans-64.3-32.9173.4-172.5178.3-178.8-177.90112.8A631 R633 N639A631-K635 VanDerWaalsContact O-CB 3.31Å; A631-K635 WeakPolarHBondContact O-CB 3.18Å; A631-K635 PolarHBondContact O-N 2.69Å; R633-K635 VanDerWaalsContact C-N 3.29Å; R633-K635 PolarHBondContact O-N 3.39Å; K635-N639 WeakPolarHBondContact O-CB 3.3Å; K635-N639 PolarHBondContact O-N 2.73Å; K635-N639 PolarHBondContact O-ND2 3.45Å
636Q93.6Very high91.3Very high103 Ų103103.9 Ų103.948%0.48151%0.509SS..Hα-helixtrans-72.1-39.7174.5-170.4171.71.800111.6D632 R633 D634 N639 L640D632-Q636 WeakPolarHBondContact O-CB 3.39Å; D632-Q636 PolarHBondContact O-N 2.77Å; R633-Q636 CarbonylContact O-C 3.58Å; R633-Q636 WeakPolarHBondContact O-CA 3.37Å; R633-Q636 WeakPolarHBondContact O-CB 3.48Å; R633-Q636 PolarHBondContact O-N 2.78Å; D634-Q636 VanDerWaalsContact C-N 3.3Å; D634-Q636 PolarHBondContact O-N 2.91Å; Q636-N639 PolarHBondContact O-N 3.5Å; Q636-L640 HydrophobicContact CG-CD1 4.47Å; Q636-L640 WeakPolarHBondContact O-CG 3.36Å; Q636-L640 PolarHBondContact O-N 2.83Å
637I91.8Very high91.6Very high88 Ų88102.1 Ų102.145%0.45151%0.507SS..Hα-helixtrans-60.9-52.9173.8-68.1164.2000110R633 D634 N639 L640 E641R633-I637 WeakPolarHBondContact O-CG1 3.48Å; R633-I637 PolarHBondContact O-N 3.39Å; D634-I637 PolarHBondContact O-N 2.88Å; I637-N639 PolarHBondContact O-N 3.05Å; I637-L640 CarbonylContact O-C 3.53Å; I637-L640 WeakPolarHBondContact O-CA 3.29Å; I637-L640 WeakPolarHBondContact O-CB 3.44Å; I637-L640 PolarHBondContact O-N 3.4Å; I637-E641 HydrophobicContact CG2-CG 4.23Å; I637-E641 WeakPolarHBondContact O-CG 3.47Å; I637-E641 PolarHBondContact O-N 3.24Å
638L93.9Very high92Very high112 Ų112100.8 Ų100.859%0.58650%0.502SS*.Hα-helixtrans-55.6-36176.7-75.9166.1000113.1D634 R642D634-L638 WeakPolarHBondContact O-CG 3.43Å; D634-L638 PolarHBondContact O-N 3.24Å; L638-R642 VanDerWaalsContact O-CB 3.3Å; L638-R642 WeakPolarHBondContact O-CB 3.41Å; L638-R642 PolarHBondContact O-N 2.95Å; L638-R642 VanDerWaalsContact O-N 3.08Å
639N93.2Very high92.1Very high82 Ų82101.8 Ų101.844%0.43950%0.501SS..Hα-helixtrans-70.5-38.1174.9-80.2-36.7000112.6K635 Q636 I637 Q643K635-N639 WeakPolarHBondContact O-CB 3.3Å; K635-N639 PolarHBondContact O-N 2.73Å; K635-N639 PolarHBondContact O-ND2 3.45Å; Q636-N639 PolarHBondContact O-N 3.5Å; I637-N639 PolarHBondContact O-N 3.05Å; N639-Q643 VanDerWaalsContact O-CG 3.3Å; N639-Q643 WeakPolarHBondContact O-CG 3.48Å; N639-Q643 PolarHBondContact O-N 3.35Å
640L92.8Very high92Very high89 Ų89103.6 Ų103.647%0.46650%0.504SS..Hα-helixtrans-69.8-43.8176.2-72.8169.2000111.5Q636 I637 R642 Q643 C644Q636-L640 HydrophobicContact CG-CD1 4.47Å; Q636-L640 WeakPolarHBondContact O-CG 3.36Å; Q636-L640 PolarHBondContact O-N 2.83Å; I637-L640 CarbonylContact O-C 3.53Å; I637-L640 WeakPolarHBondContact O-CA 3.29Å; I637-L640 WeakPolarHBondContact O-CB 3.44Å; I637-L640 PolarHBondContact O-N 3.4Å; L640-R642 VanDerWaalsContact C-N 3.31Å; L640-R642 PolarHBondContact O-N 2.87Å; L640-Q643 CarbonylContact O-C 2.93Å; L640-Q643 WeakPolarHBondContact O-CA 3.26Å; L640-Q643 WeakPolarHBondContact O-CB 3.37Å; L640-Q643 PolarHBondContact O-N 3.06Å; L640-C644 PolarHBondContact O-N 2.89Å; L640-C644 PolarHBondContact O-SG 2.95Å; L640-C644 VanDerWaalsContact O-SG 3.41Å
641E92Very high92.2Very high111 Ų111103 Ų10352%0.51950%0.498SS..Hα-helixtrans-56.2-45.9173-70.1174.4158.800111.1I637 Q643 C644 E645I637-E641 HydrophobicContact CG2-CG 4.23Å; I637-E641 WeakPolarHBondContact O-CG 3.47Å; I637-E641 PolarHBondContact O-N 3.24Å; E641-Q643 VanDerWaalsContact C-N 3.31Å; E641-Q643 PolarHBondContact O-N 2.87Å; E641-C644 PolarHBondContact O-N 3.09Å; E641-E645 PolarHBondContact O-N 3.37Å
642R94.1Very high92.2Very high168 Ų168107.3 Ų107.363%0.63450%0.503SS*.Hα-helixtrans-62-36.2174.6-174.1177.3-177170.34.2112.9L638 L640 Q646L638-R642 VanDerWaalsContact O-CB 3.3Å; L638-R642 WeakPolarHBondContact O-CB 3.41Å; L638-R642 PolarHBondContact O-N 2.95Å; L638-R642 VanDerWaalsContact O-N 3.08Å; L640-R642 VanDerWaalsContact C-N 3.31Å; L640-R642 PolarHBondContact O-N 2.87Å; R642-Q646 WeakPolarHBondContact O-CB 3.49Å; R642-Q646 VanDerWaalsContact O-CG 3.29Å; R642-Q646 WeakPolarHBondContact O-CG 3.28Å; R642-Q646 PolarHBondContact O-N 3.4Å
643Q92Very high92.3Very high114 Ų114108.6 Ų108.653%0.53351%0.507SS..Hα-helixtrans-69.9-40.4175.2-75.3173.919.500111.9N639 L640 E641 Q646 A647N639-Q643 VanDerWaalsContact O-CG 3.3Å; N639-Q643 WeakPolarHBondContact O-CG 3.48Å; N639-Q643 PolarHBondContact O-N 3.35Å; L640-Q643 CarbonylContact O-C 2.93Å; L640-Q643 WeakPolarHBondContact O-CA 3.26Å; L640-Q643 WeakPolarHBondContact O-CB 3.37Å; L640-Q643 PolarHBondContact O-N 3.06Å; E641-Q643 VanDerWaalsContact C-N 3.31Å; E641-Q643 PolarHBondContact O-N 2.87Å; Q643-Q646 PolarHBondContact O-N 3.33Å; Q643-A647 WeakPolarHBondContact O-CB 3.47Å; Q643-A647 PolarHBondContact O-N 3.42Å
644C90.9Very high92.4Very high88 Ų88107.4 Ų107.460%0.59551%0.507SS*.Hα-helixtrans-61.3-45.2173.6-70.40000111.6L640 E641 Q646 A647 R648L640-C644 PolarHBondContact O-N 2.89Å; L640-C644 PolarHBondContact O-SG 2.95Å; L640-C644 VanDerWaalsContact O-SG 3.41Å; E641-C644 PolarHBondContact O-N 3.09Å; C644-Q646 PolarHBondContact O-N 2.92Å; C644-A647 WeakPolarHBondContact O-CB 3.44Å; C644-A647 PolarHBondContact O-N 2.93Å; C644-A647 VanDerWaalsContact O-N 3.16Å; C644-R648 PolarHBondContact O-N 2.86Å
645E92.3Very high92.5Very high80 Ų80108.5 Ų108.537%0.37451%0.508SS..Hα-helixtrans-64.1-40.4176.4-168.357.3-13700111.5E641 A647 R648 L649E641-E645 PolarHBondContact O-N 3.37Å; E645-A647 VanDerWaalsContact C-N 3.33Å; E645-A647 PolarHBondContact O-N 2.92Å; E645-R648 VanDerWaalsContact CD-NH2 3.34Å; E645-R648 PolarHBondContact O-N 2.89Å; E645-R648 IonicContact OE1-CZ 3.5Å; E645-R648 VanDerWaalsContact OE1-CZ 3.3Å; E645-R648 IonicContact OE1-NE 3.88Å; E645-R648 PolarHBondContact OE1-NE 3.17Å; E645-R648 VanDerWaalsContact OE1-NE 3.08Å; E645-R648 IonicContact OE1-NH2 3.95Å; E645-R648 PolarHBondContact OE1-NH2 3.15Å; E645-R648 IonicContact OE2-CZ 3.93Å; E645-R648 IonicContact OE2-NE 3.96Å; E645-R648 PolarHBondContact OE2-NE 2.87Å; E645-R648 IonicContact OE2-NH2 3.71Å; E645-R648 PolarHBondContact OE2-NH2 3.42Å; E645-L649 WeakPolarHBondContact O-CG 3.47Å; E645-L649 PolarHBondContact O-N 3.01Å
646Q92.1Very high92.5Very high85 Ų85106.5 Ų106.540%0.39750%0.503SS..Hα-helixtrans-66.3-29.8172.9-76.8-179.7-9.600114R642 Q643 C644 R650R642-Q646 WeakPolarHBondContact O-CB 3.49Å; R642-Q646 VanDerWaalsContact O-CG 3.29Å; R642-Q646 WeakPolarHBondContact O-CG 3.28Å; R642-Q646 PolarHBondContact O-N 3.4Å; Q643-Q646 PolarHBondContact O-N 3.33Å; C644-Q646 PolarHBondContact O-N 2.92Å; Q646-R650 PolarHBondContact O-N 2.8Å; Q646-R650 VanDerWaalsContact O-N 3.16Å; Q646-R650 PolarHBondContact O-NE 3.28Å
647A91.8Very high92.5Very high50 Ų50107.3 Ų107.341%0.41351%0.51SS..Hα-helixtrans-71.5-43.4173.200000110.6Q643 C644 E645 L649 R650 E651Q643-A647 WeakPolarHBondContact O-CB 3.47Å; Q643-A647 PolarHBondContact O-N 3.42Å; C644-A647 WeakPolarHBondContact O-CB 3.44Å; C644-A647 PolarHBondContact O-N 2.93Å; C644-A647 VanDerWaalsContact O-N 3.16Å; E645-A647 VanDerWaalsContact C-N 3.33Å; E645-A647 PolarHBondContact O-N 2.92Å; A647-L649 VanDerWaalsContact C-N 3.34Å; A647-L649 PolarHBondContact O-N 3.41Å; A647-R650 PolarHBondContact O-N 2.82Å; A647-R650 VanDerWaalsContact O-N 3.17Å; A647-E651 PolarHBondContact O-N 3.46Å
648R92.1Very high92.6Very high153 Ų153108 Ų10858%0.57752%0.518SS*.Hα-helixtrans-60.6-40.7175-167.7176.276.2144.80.4112.4C644 E645 E651 Y652C644-R648 PolarHBondContact O-N 2.86Å; E645-R648 VanDerWaalsContact CD-NH2 3.34Å; E645-R648 PolarHBondContact O-N 2.89Å; E645-R648 IonicContact OE1-CZ 3.5Å; E645-R648 VanDerWaalsContact OE1-CZ 3.3Å; E645-R648 IonicContact OE1-NE 3.88Å; E645-R648 PolarHBondContact OE1-NE 3.17Å; E645-R648 VanDerWaalsContact OE1-NE 3.08Å; E645-R648 IonicContact OE1-NH2 3.95Å; E645-R648 PolarHBondContact OE1-NH2 3.15Å; E645-R648 IonicContact OE2-CZ 3.93Å; E645-R648 IonicContact OE2-NE 3.96Å; E645-R648 PolarHBondContact OE2-NE 2.87Å; E645-R648 IonicContact OE2-NH2 3.71Å; E645-R648 PolarHBondContact OE2-NH2 3.42Å; R648-E651 PolarHBondContact O-N 2.93Å; R648-Y652 WeakPolarHBondContact O-CB 3.38Å; R648-Y652 PolarHBondContact O-N 3.46Å
649L90.8Very high92.6Very high90 Ų90106.2 Ų106.247%0.47151%0.512SS..Hα-helixtrans-64.7-41.9173.7-72171.6000112.1E645 A647 Y652 E653E645-L649 WeakPolarHBondContact O-CG 3.47Å; E645-L649 PolarHBondContact O-N 3.01Å; A647-L649 VanDerWaalsContact C-N 3.34Å; A647-L649 PolarHBondContact O-N 3.41Å; L649-Y652 WeakPolarHBondContact O-CB 3.42Å; L649-Y652 PolarHBondContact O-N 2.95Å; L649-E653 WeakPolarHBondContact O-CG 3.44Å; L649-E653 PolarHBondContact O-N 3.32Å
650R91.3Very high92.6Very high143 Ų143105.1 Ų105.154%0.5451%0.514SS..Hα-helixtrans-63.4-42.9174.3-83.4-175.3-88175.4-9.1112.6Q646 A647 Y652 E653 E654Q646-R650 PolarHBondContact O-N 2.8Å; Q646-R650 VanDerWaalsContact O-N 3.16Å; Q646-R650 PolarHBondContact O-NE 3.28Å; A647-R650 PolarHBondContact O-N 2.82Å; A647-R650 VanDerWaalsContact O-N 3.17Å; R650-Y652 PolarHBondContact O-N 3.33Å; R650-E653 PolarHBondContact O-N 2.96Å; R650-E654 WeakPolarHBondContact O-CB 3.41Å; R650-E654 WeakPolarHBondContact O-CG 3.31Å; R650-E654 PolarHBondContact O-N 3.04Å
651E92.4Very high92.6Very high94 Ų94110.2 Ų110.244%0.43953%0.527SS..Hα-helixtrans-61.2-35.5175-162.9-161161.700111.6A647 R648 K655A647-E651 PolarHBondContact O-N 3.46Å; R648-E651 PolarHBondContact O-N 2.93Å; E651-K655 VanDerWaalsContact CD-NZ 3.29Å; E651-K655 WeakPolarHBondContact O-CB 3.35Å; E651-K655 VanDerWaalsContact O-CG 3.26Å; E651-K655 WeakPolarHBondContact O-CG 3.44Å; E651-K655 PolarHBondContact O-N 3.08Å; E651-K655 WeakPolarHBondContact OE1-CE 3.46Å; E651-K655 IonicContact OE1-NZ 3.92Å; E651-K655 PolarHBondContact OE1-NZ 2.88Å; E651-K655 IonicContact OE2-NZ 3.79Å
652Y92.9Very high92.7Very high145 Ų145112 Ų11257%0.56953%0.53SS*.Hα-helixtrans-69.1-42.8173.8-176.6-104.9000112.5R648 L649 R650 K655 L656R648-Y652 WeakPolarHBondContact O-CB 3.38Å; R648-Y652 PolarHBondContact O-N 3.46Å; L649-Y652 WeakPolarHBondContact O-CB 3.42Å; L649-Y652 PolarHBondContact O-N 2.95Å; R650-Y652 PolarHBondContact O-N 3.33Å; Y652-K655 PolarHBondContact O-N 3.15Å; Y652-L656 HydrophobicContact CD1-CD1 3.9Å; Y652-L656 HydrophobicContact CE1-CD1 3.46Å; Y652-L656 VanDerWaalsContact CE1-CD1 3.46Å; Y652-L656 HydrophobicContact CE1-CG 4.23Å; Y652-L656 WeakPolarHBondContact O-CG 3.28Å; Y652-L656 PolarHBondContact O-N 2.9Å
653E92.9Very high92.6Very high119 Ų119108.3 Ų108.356%0.55652%0.523SS*.Hα-helixtrans-61.4-41.6172.6-72.7177.9165.800112L649 R650 L656 L657L649-E653 WeakPolarHBondContact O-CG 3.44Å; L649-E653 PolarHBondContact O-N 3.32Å; R650-E653 PolarHBondContact O-N 2.96Å; E653-L656 PolarHBondContact O-N 2.88Å; E653-L657 WeakPolarHBondContact O-CB 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.23Å; E653-L657 PolarHBondContact O-N 3.21Å
654E92.4Very high92.6Very high119 Ų119109 Ų10956%0.55652%0.524SS*.Hα-helixtrans-63-44.7175.2-75.4174.1-17000111.6R650 L656 L657 V658R650-E654 WeakPolarHBondContact O-CB 3.41Å; R650-E654 WeakPolarHBondContact O-CG 3.31Å; R650-E654 PolarHBondContact O-N 3.04Å; E654-L656 VanDerWaalsContact C-N 3.33Å; E654-L656 PolarHBondContact O-N 3.32Å; E654-L657 WeakPolarHBondContact O-CB 3.46Å; E654-L657 PolarHBondContact O-N 3.23Å; E654-V658 WeakPolarHBondContact O-CG2 3.37Å; E654-V658 PolarHBondContact O-N 3.44Å
655K94.1Very high92.4Very high112 Ų112107.5 Ų107.549%0.48752%0.515SS..Hα-helixtrans-60.8-40.5174-74.9166.9-174.2169.80112.1E651 Y652 T659E651-K655 VanDerWaalsContact CD-NZ 3.29Å; E651-K655 WeakPolarHBondContact O-CB 3.35Å; E651-K655 VanDerWaalsContact O-CG 3.26Å; E651-K655 WeakPolarHBondContact O-CG 3.44Å; E651-K655 PolarHBondContact O-N 3.08Å; E651-K655 WeakPolarHBondContact OE1-CE 3.46Å; E651-K655 IonicContact OE1-NZ 3.92Å; E651-K655 PolarHBondContact OE1-NZ 2.88Å; E651-K655 IonicContact OE2-NZ 3.79Å; Y652-K655 PolarHBondContact O-N 3.15Å; K655-T659 WeakPolarHBondContact O-CB 3.14Å; K655-T659 PolarHBondContact O-N 3.01Å; K655-T659 PolarHBondContact O-OG1 3.01Å
656L93.6Very high92.4Very high91 Ų91106.5 Ų106.548%0.47651%0.512SS..Hα-helixtrans-65.2-42.7174.2-77173.5000112Y652 E653 E654 T659 A660Y652-L656 HydrophobicContact CD1-CD1 3.9Å; Y652-L656 HydrophobicContact CE1-CD1 3.46Å; Y652-L656 VanDerWaalsContact CE1-CD1 3.46Å; Y652-L656 HydrophobicContact CE1-CG 4.23Å; Y652-L656 WeakPolarHBondContact O-CG 3.28Å; Y652-L656 PolarHBondContact O-N 2.9Å; E653-L656 PolarHBondContact O-N 2.88Å; E654-L656 VanDerWaalsContact C-N 3.33Å; E654-L656 PolarHBondContact O-N 3.32Å; L656-T659 PolarHBondContact O-N 3.08Å; L656-A660 WeakPolarHBondContact O-CB 3.44Å; L656-A660 PolarHBondContact O-N 3.38Å
657L94.1Very high92.3Very high120 Ų120105.4 Ų105.463%0.62851%0.513SS*.Hα-helixtrans-61.6-48.6175.5-83.2161.6000111.7E653 E654 T659 A660 W661E653-L657 WeakPolarHBondContact O-CB 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.23Å; E653-L657 PolarHBondContact O-N 3.21Å; E654-L657 WeakPolarHBondContact O-CB 3.46Å; E654-L657 PolarHBondContact O-N 3.23Å; L657-T659 VanDerWaalsContact C-N 3.34Å; L657-T659 PolarHBondContact O-N 3.42Å; L657-A660 PolarHBondContact O-N 3.22Å; L657-W661 WeakPolarHBondContact O-CB 3.45Å; L657-W661 PolarHBondContact O-N 3.14Å
658V94.1Very high92.1Very high103 Ų103109 Ų10962%0.62452%0.52SS*.Hα-helixtrans-59.5-44.7176170.80000110.7E654 W661 Y662E654-V658 WeakPolarHBondContact O-CG2 3.37Å; E654-V658 PolarHBondContact O-N 3.44Å; V658-W661 PolarHBondContact O-N 3.31Å; V658-Y662 WeakPolarHBondContact O-CB 3.41Å; V658-Y662 PolarHBondContact O-N 3.09Å
659T93.6Very high91.8Very high75 Ų75107.1 Ų107.146%0.4652%0.518SS..Hα-helixtrans-62.5-44.6177.2-56.90000111.7K655 L656 L657 W661 Y662 N663K655-T659 WeakPolarHBondContact O-CB 3.14Å; K655-T659 PolarHBondContact O-N 3.01Å; K655-T659 PolarHBondContact O-OG1 3.01Å; L656-T659 PolarHBondContact O-N 3.08Å; L657-T659 VanDerWaalsContact C-N 3.34Å; L657-T659 PolarHBondContact O-N 3.42Å; T659-W661 VanDerWaalsContact C-N 3.34Å; T659-W661 PolarHBondContact O-N 3.19Å; T659-Y662 PolarHBondContact O-N 2.92Å; T659-N663 WeakPolarHBondContact O-CB 3.44Å; T659-N663 VanDerWaalsContact O-CG 3.23Å; T659-N663 PolarHBondContact O-N 3.38Å; T659-N663 PolarHBondContact O-ND2 3.43Å
660A93.3Very high91.5Very high58 Ų58108.4 Ų108.448%0.47952%0.52SS..Hα-helixtrans-64.5-38176.500000112.1L656 L657 K664L656-A660 WeakPolarHBondContact O-CB 3.44Å; L656-A660 PolarHBondContact O-N 3.38Å; L657-A660 PolarHBondContact O-N 3.22Å; A660-K664 VanDerWaalsContact O-CB 3.27Å; A660-K664 WeakPolarHBondContact O-CB 3.45Å; A660-K664 PolarHBondContact O-N 3.36Å
661W92.8Very high91.1Very high197 Ų197106.1 Ų106.175%0.74652%0.518SS*.Hα-helixtrans-70.9-41.8178.2-146.189.2000111.8L657 V658 T659 K664 S665L657-W661 WeakPolarHBondContact O-CB 3.45Å; L657-W661 PolarHBondContact O-N 3.14Å; V658-W661 PolarHBondContact O-N 3.31Å; T659-W661 VanDerWaalsContact C-N 3.34Å; T659-W661 PolarHBondContact O-N 3.19Å; W661-K664 PolarHBondContact O-N 2.98Å; W661-S665 WeakPolarHBondContact O-CB 3.35Å; W661-S665 PolarHBondContact O-N 2.85Å
662Y93.3Very high90.2Very high148 Ų148103.7 Ų103.758%0.5851%0.514SS*.Hα-helixtrans-59.5-50.4172177.5-97000111.3V658 T659 K664 S665 L666V658-Y662 WeakPolarHBondContact O-CB 3.41Å; V658-Y662 PolarHBondContact O-N 3.09Å; T659-Y662 PolarHBondContact O-N 2.92Å; Y662-K664 VanDerWaalsContact C-N 3.28Å; Y662-K664 PolarHBondContact O-N 3.38Å; Y662-S665 WeakPolarHBondContact O-CB 3.34Å; Y662-S665 PolarHBondContact O-N 3.13Å; Y662-S665 VanDerWaalsContact O-N 3.15Å; Y662-L666 HydrophobicContact CE1-CD2 4.46Å; Y662-L666 WeakPolarHBondContact O-CB 3.36Å; Y662-L666 PolarHBondContact O-N 3.35Å
663N92.5Very high89.4Confident91 Ų91101.6 Ų101.649%0.48751%0.51SS..Hα-helixtrans-59.8-38.3177.1-73.5-23.1000112.3T659 S667T659-N663 WeakPolarHBondContact O-CB 3.44Å; T659-N663 VanDerWaalsContact O-CG 3.23Å; T659-N663 PolarHBondContact O-N 3.38Å; T659-N663 PolarHBondContact O-ND2 3.43Å; N663-S667 WeakPolarHBondContact O-CB 3.38Å; N663-S667 PolarHBondContact O-N 2.92Å
664K91.5Very high88.7Confident127 Ų127101.5 Ų101.555%0.55251%0.51SS*.Hα-helixtrans-70.6-38.7175.9-171.2171-176.3176.30112.4A660 W661 Y662 S667 F668A660-K664 VanDerWaalsContact O-CB 3.27Å; A660-K664 WeakPolarHBondContact O-CB 3.45Å; A660-K664 PolarHBondContact O-N 3.36Å; W661-K664 PolarHBondContact O-N 2.98Å; Y662-K664 VanDerWaalsContact C-N 3.28Å; Y662-K664 PolarHBondContact O-N 3.38Å; K664-S667 WeakPolarHBondContact O-CB 3.48Å; K664-S667 PolarHBondContact O-N 2.9Å; K664-F668 HydrophobicContact CD-CE2 4.27Å; K664-F668 HydrophobicContact CG-CD2 4.13Å; K664-F668 HydrophobicContact CG-CE2 3.79Å; K664-F668 VanDerWaalsContact O-CD2 3.27Å; K664-F668 WeakPolarHBondContact O-CD2 3.42Å; K664-F668 PolarHBondContact O-N 3.34Å
665S87.9Confident87.5Confident57 Ų57100.2 Ų100.240%0.39951%0.514SS..Hα-helixtrans-63.3-47.1173.7-171.40000111.1W661 Y662 S667 F668 Q669W661-S665 WeakPolarHBondContact O-CB 3.35Å; W661-S665 PolarHBondContact O-N 2.85Å; Y662-S665 WeakPolarHBondContact O-CB 3.34Å; Y662-S665 PolarHBondContact O-N 3.13Å; Y662-S665 VanDerWaalsContact O-N 3.15Å; S665-S667 VanDerWaalsContact C-N 3.3Å; S665-S667 PolarHBondContact O-N 2.83Å; S665-F668 CarbonylContact O-C 3.58Å; S665-F668 PolarHBondContact O-N 3.37Å; S665-F668 VanDerWaalsContact O-N 3.14Å; S665-Q669 WeakPolarHBondContact O-CB 3.48Å; S665-Q669 PolarHBondContact O-N 3.45Å
666L90.9Very high86.2Confident59 Ų59104.6 Ų104.631%0.30953%0.528SS..Hα-helixtrans-60.9-38.6175-170.770.5000111.7Y662 Q669 K670Y662-L666 HydrophobicContact CE1-CD2 4.46Å; Y662-L666 WeakPolarHBondContact O-CB 3.36Å; Y662-L666 PolarHBondContact O-N 3.35Å; L666-Q669 PolarHBondContact O-N 2.89Å; L666-K670 WeakPolarHBondContact O-CG 3.46Å; L666-K670 PolarHBondContact O-N 3.23Å
667S90.2Very high84.6Confident62 Ų62106.7 Ų106.743%0.43454%0.538SS..Hα-helixtrans-63.5-44.4172.9-176.20000112.2N663 K664 S665 Q669 K670 L671N663-S667 WeakPolarHBondContact O-CB 3.38Å; N663-S667 PolarHBondContact O-N 2.92Å; K664-S667 WeakPolarHBondContact O-CB 3.48Å; K664-S667 PolarHBondContact O-N 2.9Å; S665-S667 VanDerWaalsContact C-N 3.3Å; S665-S667 PolarHBondContact O-N 2.83Å; S667-Q669 VanDerWaalsContact C-N 3.35Å; S667-Q669 PolarHBondContact O-N 3.19Å; S667-K670 PolarHBondContact O-N 2.9Å; S667-L671 WeakPolarHBondContact O-CG 3.34Å; S667-L671 PolarHBondContact O-N 3.27Å
668F87.1Confident82.7Confident126 Ų126104.2 Ų104.255%0.55354%0.542SS*.Hα-helixtrans-64.6-36.7172.8-75.2-51.5000113K664 S665 L671 A672K664-F668 HydrophobicContact CD-CE2 4.27Å; K664-F668 HydrophobicContact CG-CD2 4.13Å; K664-F668 HydrophobicContact CG-CE2 3.79Å; K664-F668 VanDerWaalsContact O-CD2 3.27Å; K664-F668 WeakPolarHBondContact O-CD2 3.42Å; K664-F668 PolarHBondContact O-N 3.34Å; S665-F668 CarbonylContact O-C 3.58Å; S665-F668 PolarHBondContact O-N 3.37Å; S665-F668 VanDerWaalsContact O-N 3.14Å; F668-L671 HydrophobicContact CD1-CD1 4.42Å; F668-L671 PolarHBondContact O-N 3.48Å; F668-A672 VanDerWaalsContact O-CB 3.24Å; F668-A672 WeakPolarHBondContact O-CB 3.45Å; F668-A672 PolarHBondContact O-N 2.95Å
669Q85.8Confident80.5Confident113 Ų113102 Ų10253%0.52854%0.541SS..Hα-helixtrans-66-42175.7-169.1175.75.900111S665 L666 S667 A672 M673S665-Q669 WeakPolarHBondContact O-CB 3.48Å; S665-Q669 PolarHBondContact O-N 3.45Å; L666-Q669 PolarHBondContact O-N 2.89Å; S667-Q669 VanDerWaalsContact C-N 3.35Å; S667-Q669 PolarHBondContact O-N 3.19Å; Q669-A672 PolarHBondContact O-N 2.9Å; Q669-M673 HydrophobicContact CG-SD 4.25Å; Q669-M673 WeakPolarHBondContact O-CB 3.33Å; Q669-M673 VanDerWaalsContact O-CG 3.25Å; Q669-M673 WeakPolarHBondContact O-CG 3.33Å; Q669-M673 PolarHBondContact O-N 3.17Å
670K84.4Confident78Confident117 Ų117109.9 Ų109.951%0.50956%0.562SS.*Hα-helixtrans-59.5-51.7171.3-75.5179177.7-173.70111.7L666 S667 A672 M673 E674L666-K670 WeakPolarHBondContact O-CG 3.46Å; L666-K670 PolarHBondContact O-N 3.23Å; S667-K670 PolarHBondContact O-N 2.9Å; K670-A672 VanDerWaalsContact C-N 3.26Å; K670-A672 PolarHBondContact O-N 3.01Å; K670-M673 CarbonylContact O-C 3.57Å; K670-M673 PolarHBondContact O-N 2.94Å; K670-E674 WeakPolarHBondContact O-CB 3.41Å; K670-E674 VanDerWaalsContact O-CG 3.3Å; K670-E674 WeakPolarHBondContact O-CG 3.4Å; K670-E674 PolarHBondContact O-N 2.84Å
671L83.1Confident75.4Confident95 Ų95111 Ų11150%0.49758%0.579SS.*Hα-helixtrans-58.5-36.4176-72.1167000112.7S667 F668 S675S667-L671 WeakPolarHBondContact O-CG 3.34Å; S667-L671 PolarHBondContact O-N 3.27Å; F668-L671 HydrophobicContact CD1-CD1 4.42Å; F668-L671 PolarHBondContact O-N 3.48Å; L671-S675 VanDerWaalsContact O-CB 3.23Å; L671-S675 WeakPolarHBondContact O-CB 3.12Å; L671-S675 PolarHBondContact O-N 2.96Å
672A74.6Confident72.7Confident44 Ų44106.4 Ų106.436%0.36458%0.583SS.*Hα-helixtrans-72.9-34.2175.500000112.8F668 Q669 K670 R676F668-A672 VanDerWaalsContact O-CB 3.24Å; F668-A672 WeakPolarHBondContact O-CB 3.45Å; F668-A672 PolarHBondContact O-N 2.95Å; Q669-A672 PolarHBondContact O-N 2.9Å; K670-A672 VanDerWaalsContact C-N 3.26Å; K670-A672 PolarHBondContact O-N 3.01Å; A672-R676 WeakPolarHBondContact O-CD 3.45Å; A672-R676 WeakPolarHBondContact O-CG 3.5Å; A672-R676 PolarHBondContact O-N 3.42Å; A672-R676 VanDerWaalsContact O-N 3.12Å
673M74.8Confident70.4Confident100 Ų100104.2 Ų104.249%0.49360%0.596SS.*Hα-helixtrans-70.2-44.5172.5-73.6172.768.200111.1Q669 K670 S675 R676 L677Q669-M673 HydrophobicContact CG-SD 4.25Å; Q669-M673 WeakPolarHBondContact O-CB 3.33Å; Q669-M673 VanDerWaalsContact O-CG 3.25Å; Q669-M673 WeakPolarHBondContact O-CG 3.33Å; Q669-M673 PolarHBondContact O-N 3.17Å; K670-M673 CarbonylContact O-C 3.57Å; K670-M673 PolarHBondContact O-N 2.94Å; M673-S675 VanDerWaalsContact C-N 3.32Å; M673-S675 PolarHBondContact O-N 3.41Å; M673-R676 CarbonylContact O-C 3.59Å; M673-R676 PolarHBondContact O-N 2.98Å; M673-R676 VanDerWaalsContact O-N 3.1Å; M673-L677 WeakPolarHBondContact O-CB 3.5Å; M673-L677 VanDerWaalsContact O-CG 3.32Å; M673-L677 WeakPolarHBondContact O-CG 3.42Å; M673-L677 PolarHBondContact O-N 3.14Å
674E78.1Confident67.9Low117 Ų117105.7 Ų105.755%0.54761%0.608SS.*Hα-helixtrans-59.7-41.4174-72.4163.8-165.900111.3K670 R676 L677 G678K670-E674 WeakPolarHBondContact O-CB 3.41Å; K670-E674 VanDerWaalsContact O-CG 3.3Å; K670-E674 WeakPolarHBondContact O-CG 3.4Å; K670-E674 PolarHBondContact O-N 2.84Å; E674-R676 VanDerWaalsContact C-N 3.35Å; E674-R676 PolarHBondContact O-N 3.23Å; E674-L677 PolarHBondContact O-N 2.98Å; E674-G678 PolarHBondContact O-N 3.29Å
675S67.7Low65.3Low92 Ų92108.9 Ų108.964%0.64362%0.622SS**Hα-helixtrans-64.5-34.3173.2-177.50000113.3L671 M673L671-S675 VanDerWaalsContact O-CB 3.23Å; L671-S675 WeakPolarHBondContact O-CB 3.12Å; L671-S675 PolarHBondContact O-N 2.96Å; M673-S675 VanDerWaalsContact C-N 3.32Å; M673-S675 PolarHBondContact O-N 3.41Å
676R67.8Low62.8Low204 Ų204111.8 Ų111.877%0.7764%0.643SS**Hα-helixtrans-76.6-39.7175.6-71.4166.4-169.1-89.83.1112.6A672 M673 E674 G679A672-R676 WeakPolarHBondContact O-CD 3.45Å; A672-R676 WeakPolarHBondContact O-CG 3.5Å; A672-R676 PolarHBondContact O-N 3.42Å; A672-R676 VanDerWaalsContact O-N 3.12Å; M673-R676 CarbonylContact O-C 3.59Å; M673-R676 PolarHBondContact O-N 2.98Å; M673-R676 VanDerWaalsContact O-N 3.1Å; E674-R676 VanDerWaalsContact C-N 3.35Å; E674-R676 PolarHBondContact O-N 3.23Å; R676-G679 PolarHBondContact O-N 2.9Å
677L58.6Low60.8Low135 Ų135114.5 Ų114.571%0.70766%0.664SS**Hα-helixtrans-73.7-36.2179.3-72165.7000111.7M673 E674 G679M673-L677 WeakPolarHBondContact O-CB 3.5Å; M673-L677 VanDerWaalsContact O-CG 3.32Å; M673-L677 WeakPolarHBondContact O-CG 3.42Å; M673-L677 PolarHBondContact O-N 3.14Å; E674-L677 PolarHBondContact O-N 2.98Å; L677-G679 PolarHBondContact O-N 3.23Å
678G54.3Low59Low69 Ų69115 Ų11571%0.71168%0.678SS**THydrogen-bonded Turntrans-66.8-6.4167.600000114.2E674 R680E674-G678 PolarHBondContact O-N 3.29Å; G678-R680 PolarHBondContact O-N 3.1Å
679G48.9Very low57.1Low57 Ų57116.1 Ų116.159%0.58869%0.686SS**THydrogen-bonded Turntrans-80-5.4-177.700000116R676 L677R676-G679 PolarHBondContact O-N 2.9Å; L677-G679 PolarHBondContact O-N 3.23Å
680R41.7Very low56Low240 Ų240114.2 Ų114.291%0.90669%0.685SS**SBendtrans-144.1103.5177.2-73.3-170.9173.3-170.5-2.2112.9G678G678-R680 PolarHBondContact O-N 3.1Å
681G37.9Very low54.7Low82 Ų82116.3 Ų116.385%0.84569%0.694SS**SBendtrans131.326143.800000121.2
682A35Very low53.5Low100 Ų100116.8 Ų116.883%0.82670%0.697SS**  trans-154.3101.8156.600000112
683A46.6Very low52.7Low102 Ų102117.4 Ų117.484%0.84370%0.696SS**  trans-99.8106.9173.700000110.8
684T38.8Very low51.8Low121 Ų121119 Ų11974%0.74270%0.702SS**  trans-152.497.5155.527.50000111.4
685F37.9Very low50.6Low195 Ų195119.1 Ų119.186%0.85570%0.702SS**  trans57.2100.2154.2-61.2-80.5000120.9
686S35.4Very low50.1Low118 Ų118123.8 Ų123.883%0.82571%0.706SS**  -146.3125108.4-170.60000110.1G688S686-G688 PolarHBondContact O-N 3.34Å
687P48.8Very low49.3Very low116 Ų116120.3 Ų120.375%0.75370%0.699SS**  trans-83.3114.8-172.331.4-32.9000112.5
688G51.8Low49Very low72 Ų72119.9 Ų119.974%0.74270%0.701SS**  trans74.5109148.500000118.1S686S686-G688 PolarHBondContact O-N 3.34Å
689Q47.6Very low48.8Very low150 Ų150121.1 Ų121.170%0.70170%0.699SS**  trans-126.8124.7135.8-70.7-155.71.600110.1
690S61.5Low49.1Very low73 Ų73125.4 Ų125.451%0.5171%0.709SS.*  trans-67.1149.5176173.50000111L692 T693S690-L692 PolarHBondContact O-N 3.16Å; S690-T693 WeakPolarHBondContact O-CB 3.18Å; S690-T693 PolarHBondContact O-N 3.42Å; S690-T693 PolarHBondContact O-OG1 3.31Å
691F56.9Low48.9Very low160 Ų160117.9 Ų117.970%0.70270%0.697SS**Hα-helixtrans-47.6-33.9176.1-174-102.8000113.5T693 Q694 Q695F691-T693 VanDerWaalsContact C-N 3.25Å; F691-T693 PolarHBondContact O-N 2.71Å; F691-Q694 PolarHBondContact O-N 3.07Å; F691-Q695 PolarHBondContact O-N 2.99Å
692L59.6Low49.3Very low106 Ų106120 Ų12056%0.55570%0.696SS**Hα-helixtrans-65.6-21.3176.6-71169.1000114.3S690 R696S690-L692 PolarHBondContact O-N 3.16Å; L692-R696 WeakPolarHBondContact O-CG 3.35Å
693T57Low50Low56 Ų56127.3 Ų127.334%0.34470%0.702SS.*Hα-helixtrans-78.7-40.8176.3-43.30000110.8S690 F691 R696 Q697S690-T693 WeakPolarHBondContact O-CB 3.18Å; S690-T693 PolarHBondContact O-N 3.42Å; S690-T693 PolarHBondContact O-OG1 3.31Å; F691-T693 VanDerWaalsContact C-N 3.25Å; F691-T693 PolarHBondContact O-N 2.71Å; T693-R696 PolarHBondContact O-N 3.39Å; T693-Q697 PolarHBondContact O-N 2.62Å
694Q56Low49.6Very low134 Ų134134.1 Ų134.163%0.62671%0.706SS**Hα-helixtrans-68.3-37.1179.5-156.4168.314.500111.3F691 R696 Q697 V698F691-Q694 PolarHBondContact O-N 3.07Å; Q694-R696 VanDerWaalsContact C-N 3.25Å; Q694-R696 PolarHBondContact O-N 3.3Å; Q694-Q697 PolarHBondContact O-N 3.22Å; Q694-V698 PolarHBondContact O-N 2.83Å
695Q53.3Low49.9Very low119 Ų119133.1 Ų133.156%0.55671%0.71SS**Hα-helixtrans-63.2-27.6174.4-163.3173.512.100113.3F691 S699F691-Q695 PolarHBondContact O-N 2.99Å; Q695-S699 PolarHBondContact O-OG 3.1Å
696R56Low49.9Very low191 Ų191128.5 Ų128.572%0.72171%0.708SS**Hα-helixtrans-79.1-23.7176.8-69.1-179.8-167.1-152.52.9114L692 T693 Q694L692-R696 WeakPolarHBondContact O-CG 3.35Å; T693-R696 PolarHBondContact O-N 3.39Å; Q694-R696 VanDerWaalsContact C-N 3.25Å; Q694-R696 PolarHBondContact O-N 3.3Å
697Q51.9Low50.1Low131 Ų131128.5 Ų128.561%0.61271%0.708SS**Hα-helixtrans-76.1-35.4176.2-70.7-173.6-5.400112T693 Q694 S699 N700T693-Q697 PolarHBondContact O-N 2.62Å; Q694-Q697 PolarHBondContact O-N 3.22Å; Q697-S699 PolarHBondContact O-N 3.2Å; Q697-N700 PolarHBondContact O-N 3.12Å
698V52.2Low49.5Very low126 Ų126129.3 Ų129.376%0.76471%0.711SS**Hα-helixtrans-65.1-27177.7-179.90000112.3Q694 N700Q694-V698 PolarHBondContact O-N 2.83Å; V698-N700 VanDerWaalsContact C-N 3.34Å
699S50.8Low48.7Very low95 Ų95131.2 Ų131.266%0.66471%0.712SS**THydrogen-bonded Turntrans-75.1-16.9176.3-55.80000114.6Q695 Q697Q695-S699 PolarHBondContact O-OG 3.1Å; Q697-S699 PolarHBondContact O-N 3.2Å
700N55.2Low48.4Very low147 Ų147130 Ų13079%0.78672%0.715SS**SBendtrans-133.361.5-169.2-79.1-30.2000113.1Q697 V698Q697-N700 PolarHBondContact O-N 3.12Å; V698-N700 VanDerWaalsContact C-N 3.34Å
701A37.2Very low47.5Very low81 Ų81132 Ų13267%0.66973%0.727SS**  trans-141.2133.8161.600000110.5
702P45.2Very low46.9Very low126 Ų126128.7 Ų128.782%0.81873%0.729SS**  trans-80.7143.9-164.731.2-35.7000113.5R704P702-R704 PolarHBondContact O-N 3.17Å
703R49.4Very low46.4Very low255 Ų255129.8 Ų129.896%0.96274%0.742SS**  trans-61.2106170.7-67.2-178.9-179.2-179.60.1110.4A705R703-A705 PolarHBondContact O-N 2.94Å
704R40Very low46Very low245 Ų245133.8 Ų133.893%0.92577%0.766SS**  trans-82.2108.7161.5-102.7-176.9172.9173.1-1.7109P702P702-R704 PolarHBondContact O-N 3.17Å
705A45.1Very low45.5Very low99 Ų99133 Ų13382%0.81878%0.775SS**PPolyproline II helixtrans-69.8129.3169.200000109.6R703R703-A705 PolarHBondContact O-N 2.94Å
706A36.2Very low44.9Very low99 Ų99140.9 Ų140.982%0.81881%0.808SS**PPolyproline II helixtrans-85.1120.416800000108.9
707S40.1Very low44.4Very low118 Ų118138.4 Ų138.483%0.82581%0.812SS**PPolyproline II helixtrans-74.512217849.80000111.2
708V35.7Very low44Very low133 Ų133138.7 Ų138.781%0.80682%0.823SS**PPolyproline II helixtrans-81.3117.9170.9177.20000109.4V710V708-V710 HydrophobicContact CG1-CG2 4.23Å
709S36Very low43.5Very low111 Ų111139.4 Ų139.478%0.77683%0.826SS**PPolyproline II helixtrans-91.8117.4171.155.10000110.5
710V41Very low43.1Very low124 Ų124142.1 Ų142.175%0.75284%0.836SS**PPolyproline II helixtrans-98.8129.5176.7179.70000109.8V708V708-V710 HydrophobicContact CG1-CG2 4.23Å
711P43.3Very low42.3Very low117 Ų117141.8 Ų141.876%0.7684%0.839SS**PPolyproline II helixtrans-77.4140.1169.4-8.725.8000111.4
712A43.5Very low42.7Very low90 Ų90145.8 Ų145.874%0.74485%0.85SS**PPolyproline II helixtrans-77.7151.8176.800000112.4
713P49.8Very low42.5Very low128 Ų128147.2 Ų147.283%0.83185%0.852SS**PPolyproline II helixtrans-79.6133.7179.232-33.9000112
714T48.1Very low42Very low140 Ų140138.9 Ų138.986%0.85984%0.844SS**PPolyproline II helixtrans-84.9124.1168.149.10000110.7
715S46.2Very low42.2Very low117 Ų117130.1 Ų130.182%0.81884%0.837SS**PPolyproline II helixtrans-74134.8175.354.30000113.1
716K40.9Very low41.9Very low285 Ų285132.9 Ų132.9100%1.23984%0.839SS**  trans-138.60145.6-86.7-167.4174.7-178.30108.5

Retrieved 716 of 716 residues in 452.4 ms (Link to these results)

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