A0A077ZH88_TRITR Loading...

BAR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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
1M56.3Low82.1Confident198 Ų19882.3 Ų82.398%0.97539%0.39SS*.  0-59.10-147.8168.67400112.9L3 C4 T5M1-L3 PolarHBondContact O-N 3.34Å; M1-C4 WeakPolarHBondContact O-CB 3.32Å; M1-C4 PolarHBondContact O-N 3.49Å; M1-T5 PolarHBondContact O-N 3.33Å; M1-T5 PolarHBondContact O-OG1 3.07Å
2M62Low83.3Confident143 Ų14381.3 Ų81.370%0.70439%0.389SS*.Hα-helixtrans-55.4-41.4-178.7-75.6-169.9-129.600114.9C4 T5 R6M2-C4 VanDerWaalsContact C-N 3.28Å; M2-C4 PolarHBondContact O-N 3.29Å; M2-T5 PolarHBondContact O-N 3.5Å; M2-R6 WeakPolarHBondContact O-CG 3.34Å; M2-R6 PolarHBondContact O-N 3.34Å
3L68.6Low84.3Confident81 Ų8182.5 Ų82.542%0.42440%0.399SS..Hα-helixtrans-63.9-34.3178.3-71.7172.2000112.3M1 F7 A155M1-L3 PolarHBondContact O-N 3.34Å; L3-F7 PolarHBondContact O-N 2.91Å; L3-F7 VanDerWaalsContact O-N 3.14Å; L3-A155 HydrophobicContact CB-CB 4.38Å
4C76.2Confident85.2Confident20 Ų2076.7 Ų76.714%0.13537%0.371CS..Hα-helixtrans-65.3-50.8179-46.80000111M1 M2 R6 F7 E8 F98 F151M1-C4 WeakPolarHBondContact O-CB 3.32Å; M1-C4 PolarHBondContact O-N 3.49Å; M2-C4 VanDerWaalsContact C-N 3.28Å; M2-C4 PolarHBondContact O-N 3.29Å; C4-R6 VanDerWaalsContact C-N 3.27Å; C4-R6 PolarHBondContact O-N 3.28Å; C4-F7 PolarHBondContact O-N 3.15Å; C4-E8 WeakPolarHBondContact O-CG 3.39Å; C4-E8 PolarHBondContact O-N 3.16Å; C4-F98 HydrophobicContact CB-CZ 4.29Å; C4-F151 HydrophobicContact CB-CZ 4.41Å; C4-F151 WeakPolarHBondContact SG-CZ 3.37Å
5T82Confident86Confident63 Ų6377.7 Ų77.739%0.38738%0.379SS..Hα-helixtrans-58-41.2179.9-50.40000111.3M1 M2 H9M1-T5 PolarHBondContact O-N 3.33Å; M1-T5 PolarHBondContact O-OG1 3.07Å; M2-T5 PolarHBondContact O-N 3.5Å; T5-H9 VanDerWaalsContact CG2-NE2 3.33Å; T5-H9 WeakPolarHBondContact CG2-NE2 3.33Å; T5-H9 WeakPolarHBondContact O-CB 3.42Å; T5-H9 PolarHBondContact O-CD2 3.4Å; T5-H9 VanDerWaalsContact O-CG 3.31Å; T5-H9 PolarHBondContact O-N 2.85Å
6R88.3Confident86.6Confident144 Ų14479.7 Ų79.754%0.54339%0.391SS..Hα-helixtrans-65.6-43177.7-67.5-177.4-146.2-179.44.5113.1M2 C4 F10 L158M2-R6 WeakPolarHBondContact O-CG 3.34Å; M2-R6 PolarHBondContact O-N 3.34Å; C4-R6 VanDerWaalsContact C-N 3.27Å; C4-R6 PolarHBondContact O-N 3.28Å; R6-F10 WeakPolarHBondContact O-CB 3.35Å; R6-F10 PolarHBondContact O-N 2.97Å; R6-L158 HydrophobicContact CB-CD2 3.72Å
7F91.9Very high87.1Confident1 Ų178 Ų780%0.00439%0.386CS..Hα-helixtrans-67.2-42.2179.6-158.2-67.6000111L3 C4 F10 R11 F90 F98 L158L3-F7 PolarHBondContact O-N 2.91Å; L3-F7 VanDerWaalsContact O-N 3.14Å; C4-F7 PolarHBondContact O-N 3.15Å; F7-F10 PolarHBondContact O-N 2.99Å; F7-R11 PolarHBondContact O-N 3.21Å; F7-F90 HydrophobicContact CE1-CE2 4.23Å; F7-F90 AromaticContact CE1-CZ 3.96Å; F7-F90 HydrophobicContact CE1-CZ 3.96Å; F7-F90 HydrophobicContact CZ-CE2 4.01Å; F7-F90 HydrophobicContact CZ-CZ 4.2Å; F7-F98 HydrophobicContact CB-CD1 4.35Å; F7-F98 HydrophobicContact CB-CD2 4.07Å; F7-F98 HydrophobicContact CB-CE1 4.03Å; F7-F98 HydrophobicContact CB-CE2 3.71Å; F7-F98 HydrophobicContact CB-CG 4.4Å; F7-F98 HydrophobicContact CB-CZ 3.72Å; F7-F98 HydrophobicContact CD1-CB 3.93Å; F7-F98 AromaticContact CD1-CD1 3.61Å; F7-F98 HydrophobicContact CD1-CD1 3.61Å; F7-F98 AromaticContact CD1-CD2 3.81Å; F7-F98 HydrophobicContact CD1-CD2 3.81Å; F7-F98 HydrophobicContact CD1-CE1 4.13Å; F7-F98 HydrophobicContact CD1-CE2 4.3Å; F7-F98 AromaticContact CD1-CG 3.46Å; F7-F98 HydrophobicContact CD1-CG 3.46Å; F7-F98 VanDerWaalsContact CD1-CG 3.46Å; F7-F98 HydrophobicContact CD1-CZ 4.46Å; F7-F98 AromaticContact CD2-CD2 3.61Å; F7-F98 HydrophobicContact CD2-CD2 3.61Å; F7-F98 AromaticContact CD2-CE2 3.96Å; F7-F98 HydrophobicContact CD2-CE2 3.96Å; F7-F98 HydrophobicContact CD2-CG 4.11Å; F7-F98 HydrophobicContact CE1-CB 3.57Å; F7-F98 HydrophobicContact CE1-CD1 4.13Å; F7-F98 HydrophobicContact CE1-CD2 4.16Å; F7-F98 AromaticContact CE1-CG 3.67Å; F7-F98 HydrophobicContact CE1-CG 3.67Å; F7-F98 HydrophobicContact CE2-CB 4.35Å; F7-F98 AromaticContact CE2-CD2 3.96Å; F7-F98 HydrophobicContact CE2-CD2 3.96Å; F7-F98 HydrophobicContact CE2-CG 4.27Å; F7-F98 HydrophobicContact CG-CB 4.49Å; F7-F98 HydrophobicContact CG-CD1 4.03Å; F7-F98 AromaticContact CG-CD2 3.54Å; F7-F98 HydrophobicContact CG-CD2 3.54Å; F7-F98 HydrophobicContact CG-CE1 4.21Å; F7-F98 AromaticContact CG-CE2 3.73Å; F7-F98 HydrophobicContact CG-CE2 3.73Å; F7-F98 AromaticContact CG-CG 3.72Å; F7-F98 HydrophobicContact CG-CG 3.72Å; F7-F98 HydrophobicContact CG-CZ 4.09Å; F7-F98 HydrophobicContact CZ-CB 3.8Å; F7-F98 HydrophobicContact CZ-CD2 4.23Å; F7-F98 HydrophobicContact CZ-CG 4.07Å; F7-L158 HydrophobicContact CB-CD2 4.39Å; F7-L158 HydrophobicContact CD2-CB 3.95Å; F7-L158 HydrophobicContact CD2-CD1 3.95Å; F7-L158 HydrophobicContact CD2-CG 4.37Å; F7-L158 HydrophobicContact CE2-CB 4.35Å; F7-L158 HydrophobicContact CE2-CD1 4.38Å; F7-L158 HydrophobicContact CG-CD1 4.27Å
8E92.8Very high87.6Confident52 Ų5275.1 Ų75.124%0.24337%0.371CS..Hα-helixtrans-64.1-43.6178.8-70176.7136.400111.8C4 R11 D12 F98 K102C4-E8 WeakPolarHBondContact O-CG 3.39Å; C4-E8 PolarHBondContact O-N 3.16Å; E8-R11 WeakPolarHBondContact O-CB 3.48Å; E8-R11 PolarHBondContact O-N 3.15Å; E8-D12 VanDerWaalsContact O-CG 3.29Å; E8-D12 PolarHBondContact O-N 2.66Å; E8-F98 HydrophobicContact CG-CE1 3.93Å; E8-K102 IonicContact OE1-NZ 3.97Å; E8-K102 PolarHBondContact OE1-NZ 3.3Å; E8-K102 IonicContact OE2-NZ 2.92Å; E8-K102 PolarHBondContact OE2-NZ 3.03Å
9H94.1Very high87.9Confident108 Ų10872.5 Ų72.550%0.537%0.366SS..Hα-helixtrans-61.6-46.8172.9-73.1-46.7000112.2T5 R11 D12 D13T5-H9 VanDerWaalsContact CG2-NE2 3.33Å; T5-H9 WeakPolarHBondContact CG2-NE2 3.33Å; T5-H9 WeakPolarHBondContact O-CB 3.42Å; T5-H9 PolarHBondContact O-CD2 3.4Å; T5-H9 VanDerWaalsContact O-CG 3.31Å; T5-H9 PolarHBondContact O-N 2.85Å; H9-R11 VanDerWaalsContact C-N 3.28Å; H9-R11 PolarHBondContact O-N 3.24Å; H9-D12 PolarHBondContact O-N 3.1Å; H9-D12 VanDerWaalsContact O-N 3.1Å; H9-D13 PolarHBondContact O-N 2.97Å
10F95.7Very high88.3Confident22 Ų2275.5 Ų75.510%0.09638%0.376CS..Hα-helixtrans-59.7-40.5178.1178.9-106000112R6 F7 T14 F90 L158 H161 Q162 Q165R6-F10 WeakPolarHBondContact O-CB 3.35Å; R6-F10 PolarHBondContact O-N 2.97Å; F7-F10 PolarHBondContact O-N 2.99Å; F10-T14 VanDerWaalsContact O-CB 3.31Å; F10-T14 WeakPolarHBondContact O-CB 3.42Å; F10-T14 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-OG1 3.31Å; F10-T14 VanDerWaalsContact O-OG1 3.07Å; F10-F90 HydrophobicContact CD1-CE1 4Å; F10-F90 HydrophobicContact CD1-CE2 4.22Å; F10-F90 AromaticContact CD1-CZ 3.52Å; F10-F90 HydrophobicContact CD1-CZ 3.52Å; F10-F90 HydrophobicContact CE1-CD1 4.48Å; F10-F90 HydrophobicContact CE1-CD2 4.49Å; F10-F90 AromaticContact CE1-CE1 3.81Å; F10-F90 HydrophobicContact CE1-CE1 3.81Å; F10-F90 AromaticContact CE1-CE2 3.84Å; F10-F90 HydrophobicContact CE1-CE2 3.84Å; F10-F90 AromaticContact CE1-CZ 3.46Å; F10-F90 HydrophobicContact CE1-CZ 3.46Å; F10-F90 VanDerWaalsContact CE1-CZ 3.46Å; F10-L158 HydrophobicContact CB-CD1 3.81Å; F10-L158 HydrophobicContact CD1-CD1 3.58Å; F10-L158 HydrophobicContact CE1-CD1 4.36Å; F10-L158 HydrophobicContact CG-CD1 3.77Å; F10-H161 HydrophobicContact CE1-CB 3.69Å; F10-H161 HydrophobicContact CZ-CB 4.19Å; F10-Q162 HydrophobicContact CD2-CG 3.9Å; F10-Q162 HydrophobicContact CE2-CB 4.43Å; F10-Q162 HydrophobicContact CE2-CG 3.77Å; F10-Q162 HydrophobicContact CG-CG 4.42Å; F10-Q162 HydrophobicContact CZ-CG 4.21Å; F10-Q165 HydrophobicContact CE2-CB 4.14Å; F10-Q165 HydrophobicContact CE2-CG 4.25Å; F10-Q165 HydrophobicContact CZ-CB 3.94Å; F10-Q165 HydrophobicContact CZ-CG 4.35Å
11R95.7Very high88.6Confident73 Ų7372.8 Ų72.828%0.27536%0.362SS..Hα-helixtrans-57.7-50.2172.3175.3-15168.7-158.5-0.4111.6F7 E8 H9 D13 T14 D15 L91 A95F7-R11 PolarHBondContact O-N 3.21Å; E8-R11 WeakPolarHBondContact O-CB 3.48Å; E8-R11 PolarHBondContact O-N 3.15Å; H9-R11 VanDerWaalsContact C-N 3.28Å; H9-R11 PolarHBondContact O-N 3.24Å; R11-D13 VanDerWaalsContact C-N 3.35Å; R11-T14 PolarHBondContact O-N 3.45Å; R11-D15 PolarHBondContact O-N 2.76Å; R11-L91 HydrophobicContact CG-CD2 3.99Å; R11-A95 HydrophobicContact CB-CB 4.42Å; R11-A95 HydrophobicContact CG-CB 3.8Å
12D95.9Very high90.3Very high70 Ų7064.8 Ų64.837%0.37433%0.328SS..Hα-helixtrans-64.2-41.5-176.3-68.6-26.5000111.8E8 H9 D15 L16E8-D12 VanDerWaalsContact O-CG 3.29Å; E8-D12 PolarHBondContact O-N 2.66Å; H9-D12 PolarHBondContact O-N 3.1Å; H9-D12 VanDerWaalsContact O-N 3.1Å; D12-D15 PolarHBondContact O-N 2.86Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.41Å
13D95.9Very high91.7Very high98 Ų9863.9 Ų63.952%0.52433%0.326SS..Hα-helixtrans-64.2-42.8174.5-67.4-23.5000111.1H9 R11 L16 V17H9-D13 PolarHBondContact O-N 2.97Å; R11-D13 VanDerWaalsContact C-N 3.35Å; D13-L16 PolarHBondContact O-N 3.27Å; D13-V17 WeakPolarHBondContact O-CB 3.31Å; D13-V17 VanDerWaalsContact O-CG2 3.23Å; D13-V17 WeakPolarHBondContact O-CG2 3.17Å; D13-V17 PolarHBondContact O-N 3.44Å
14T96.9Very high92.8Very high1 Ų164.4 Ų64.41%0.00633%0.325CS..Hα-helixtrans-63.9-41.4177.1-70.40000112.1F10 R11 Q18 M87 F90 L91 Q165F10-T14 VanDerWaalsContact O-CB 3.31Å; F10-T14 WeakPolarHBondContact O-CB 3.42Å; F10-T14 PolarHBondContact O-N 3.45Å; F10-T14 PolarHBondContact O-OG1 3.31Å; F10-T14 VanDerWaalsContact O-OG1 3.07Å; R11-T14 PolarHBondContact O-N 3.45Å; T14-Q18 WeakPolarHBondContact O-CB 3.32Å; T14-Q18 PolarHBondContact O-N 2.89Å; T14-M87 HydrophobicContact CG2-CB 4.23Å; T14-M87 HydrophobicContact CG2-CE 3.98Å; T14-M87 HydrophobicContact CG2-CG 4.5Å; T14-M87 WeakPolarHBondContact O-CE 3.48Å; T14-F90 HydrophobicContact CG2-CD1 3.7Å; T14-F90 HydrophobicContact CG2-CE1 4.1Å; T14-L91 HydrophobicContact CG2-CD1 4.34Å; T14-L91 HydrophobicContact CG2-CD2 4.12Å; T14-L91 HydrophobicContact CG2-CG 4.11Å; T14-Q165 PolarHBondContact OG1-OE1 3.33Å
15D97Very high93.5Very high91 Ų9164.3 Ų64.349%0.48732%0.323SS..Hα-helixtrans-62.3-48.8176.2-171.355.3000111.3R11 D12 V17 Q18 G19 L91R11-D15 PolarHBondContact O-N 2.76Å; D12-D15 PolarHBondContact O-N 2.86Å; D15-V17 PolarHBondContact O-N 2.72Å; D15-Q18 PolarHBondContact O-N 3.38Å; D15-G19 PolarHBondContact O-N 2.99Å; D15-L91 HydrophobicContact CB-CD1 4.2Å; D15-L91 HydrophobicContact CB-CD2 3.94Å
16L96.4Very high93.9Very high110 Ų11063.1 Ų63.158%0.57632%0.315SS*.Hα-helixtrans-58.2-50.8177.6179.464.5000111.7D12 D13 G19 K20D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.41Å; D13-L16 PolarHBondContact O-N 3.27Å; L16-G19 PolarHBondContact O-N 3.35Å; L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 3.06Å; L16-K20 VanDerWaalsContact O-N 3.16Å
17V95.8Very high94Very high51 Ų5160.5 Ų60.531%0.30931%0.312SS..Hα-helixtrans-68-37.7-177.9174.40000111.1D13 D15 G19 K20 F21 M87D13-V17 WeakPolarHBondContact O-CB 3.31Å; D13-V17 VanDerWaalsContact O-CG2 3.23Å; D13-V17 WeakPolarHBondContact O-CG2 3.17Å; D13-V17 PolarHBondContact O-N 3.44Å; D15-V17 PolarHBondContact O-N 2.72Å; V17-G19 VanDerWaalsContact C-N 3.29Å; V17-G19 PolarHBondContact O-N 2.99Å; V17-K20 PolarHBondContact O-N 3.01Å; V17-K20 VanDerWaalsContact O-N 3.13Å; V17-F21 HydrophobicContact CG1-CD2 3.69Å; V17-F21 HydrophobicContact CG1-CE2 3.33Å; V17-F21 HydrophobicContact CG1-CZ 4.13Å; V17-F21 WeakPolarHBondContact O-CD2 3.47Å; V17-F21 PolarHBondContact O-N 3Å; V17-M87 HydrophobicContact CB-CE 4.01Å; V17-M87 HydrophobicContact CG1-CE 3.84Å
18Q95.5Very high93.7Very high25 Ų2563.5 Ų63.512%0.11733%0.332CS..Hα-helixtrans-59.3-43.7176.1-175.4-84.8-71.900110.8T14 D15 K20 F21 A22 V84 M87 Q88 L91T14-Q18 WeakPolarHBondContact O-CB 3.32Å; T14-Q18 PolarHBondContact O-N 2.89Å; D15-Q18 PolarHBondContact O-N 3.38Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; Q18-F21 PolarHBondContact O-N 3.06Å; Q18-A22 PolarHBondContact O-N 3.49Å; Q18-V84 HydrophobicContact CG-CG1 4.36Å; Q18-M87 HydrophobicContact CB-CB 4.02Å; Q18-M87 HydrophobicContact CB-CE 3.88Å; Q18-M87 HydrophobicContact CB-SD 4.23Å; Q18-M87 HydrophobicContact CG-CB 3.8Å; Q18-Q88 HydrophobicContact CG-CG 3.95Å; Q18-L91 HydrophobicContact CB-CD1 4.3Å; Q18-L91 HydrophobicContact CG-CD1 4.42Å
19G93.8Very high93.5Very high26 Ų2668 Ų6827%0.26836%0.358SS..Hα-helixtrans-57.7-46.517400000111.9D15 L16 V17 F21 A22 D23D15-G19 PolarHBondContact O-N 2.99Å; L16-G19 PolarHBondContact O-N 3.35Å; V17-G19 VanDerWaalsContact C-N 3.29Å; V17-G19 PolarHBondContact O-N 2.99Å; G19-F21 PolarHBondContact O-N 3.45Å; G19-A22 WeakPolarHBondContact O-CB 3.48Å; G19-A22 PolarHBondContact O-N 2.93Å; G19-A22 VanDerWaalsContact O-N 3.14Å; G19-D23 VanDerWaalsContact O-CG 3.31Å; G19-D23 PolarHBondContact O-N 3.38Å
20K95.9Very high93.4Very high133 Ų13365.4 Ų65.458%0.57835%0.352SS*.Hα-helixtrans-64-38177.6-63.8-55.1178.9-168.60113.7L16 V17 Q18 D23 F24L16-K20 WeakPolarHBondContact O-CG 3.37Å; L16-K20 PolarHBondContact O-N 3.06Å; L16-K20 VanDerWaalsContact O-N 3.16Å; V17-K20 PolarHBondContact O-N 3.01Å; V17-K20 VanDerWaalsContact O-N 3.13Å; Q18-K20 VanDerWaalsContact C-N 3.35Å; K20-D23 PolarHBondContact O-N 2.84Å; K20-F24 WeakPolarHBondContact O-CB 3.44Å; K20-F24 PolarHBondContact O-N 3.31Å
21F94.3Very high93.3Very high18 Ų1868.5 Ų68.58%0.07937%0.367CS..Hα-helixtrans-64.3-41.7172-76.9-52000111.8V17 Q18 G19 D23 F24 L25 V83 V84 M87 L169 F172V17-F21 HydrophobicContact CG1-CD2 3.69Å; V17-F21 HydrophobicContact CG1-CE2 3.33Å; V17-F21 HydrophobicContact CG1-CZ 4.13Å; V17-F21 WeakPolarHBondContact O-CD2 3.47Å; V17-F21 PolarHBondContact O-N 3Å; Q18-F21 PolarHBondContact O-N 3.06Å; G19-F21 PolarHBondContact O-N 3.45Å; F21-D23 VanDerWaalsContact C-N 3.35Å; F21-D23 PolarHBondContact O-N 3.46Å; F21-F24 WeakPolarHBondContact O-CB 3.46Å; F21-F24 PolarHBondContact O-N 3.35Å; F21-L25 WeakPolarHBondContact O-CG 2.89Å; F21-L25 PolarHBondContact O-N 2.91Å; F21-V83 HydrophobicContact CD1-CG1 4.47Å; F21-V83 HydrophobicContact CD2-CG1 3.74Å; F21-V83 HydrophobicContact CE2-CG1 3.79Å; F21-V83 HydrophobicContact CG-CG1 4.1Å; F21-V83 HydrophobicContact CZ-CG1 4.24Å; F21-V84 HydrophobicContact CB-CG2 3.89Å; F21-M87 HydrophobicContact CD2-CE 4.22Å; F21-M87 HydrophobicContact CD2-SD 3.68Å; F21-M87 HydrophobicContact CE2-CE 4.36Å; F21-M87 HydrophobicContact CE2-SD 4.01Å; F21-L169 HydrophobicContact CE2-CD2 3.87Å; F21-L169 HydrophobicContact CZ-CD2 3.65Å; F21-F172 HydrophobicContact CD1-CD1 4.34Å; F21-F172 AromaticContact CD1-CD2 3.67Å; F21-F172 HydrophobicContact CD1-CD2 3.67Å; F21-F172 HydrophobicContact CD1-CE1 4.24Å; F21-F172 AromaticContact CD1-CE2 3.57Å; F21-F172 HydrophobicContact CD1-CE2 3.57Å; F21-F172 HydrophobicContact CD1-CG 4.05Å; F21-F172 AromaticContact CD1-CZ 3.86Å; F21-F172 HydrophobicContact CD1-CZ 3.86Å; F21-F172 HydrophobicContact CE1-CB 4.13Å; F21-F172 AromaticContact CE1-CD1 3.42Å; F21-F172 HydrophobicContact CE1-CD1 3.42Å; F21-F172 VanDerWaalsContact CE1-CD1 3.42Å; F21-F172 AromaticContact CE1-CD2 3.51Å; F21-F172 HydrophobicContact CE1-CD2 3.51Å; F21-F172 AromaticContact CE1-CE1 3.54Å; F21-F172 HydrophobicContact CE1-CE1 3.54Å; F21-F172 AromaticContact CE1-CE2 3.64Å; F21-F172 HydrophobicContact CE1-CE2 3.64Å; F21-F172 AromaticContact CE1-CG 3.38Å; F21-F172 HydrophobicContact CE1-CG 3.38Å; F21-F172 AromaticContact CE1-CZ 3.65Å; F21-F172 HydrophobicContact CE1-CZ 3.65Å; F21-F172 HydrophobicContact CZ-CB 4.32Å; F21-F172 HydrophobicContact CZ-CD1 4.09Å; F21-F172 HydrophobicContact CZ-CD2 4.45Å; F21-F172 HydrophobicContact CZ-CG 4.03Å
22A91.1Very high93.3Very high30 Ų3065.3 Ų65.325%0.24836%0.356CS..Hα-helixtrans-63.3-41.2177.400000112.2Q18 G19 F24 L25Q18-A22 PolarHBondContact O-N 3.49Å; G19-A22 WeakPolarHBondContact O-CB 3.48Å; G19-A22 PolarHBondContact O-N 2.93Å; G19-A22 VanDerWaalsContact O-N 3.14Å; A22-F24 VanDerWaalsContact C-N 3.31Å; A22-F24 PolarHBondContact O-N 3.31Å; A22-L25 PolarHBondContact O-N 3.34Å
23D91.3Very high93.3Very high124 Ų12466.7 Ų66.766%0.66337%0.371SS*.Hα-helixtrans-65.4-32.3176.9-68.4-18.1000112.8G19 K20 F21 L25G19-D23 VanDerWaalsContact O-CG 3.31Å; G19-D23 PolarHBondContact O-N 3.38Å; K20-D23 PolarHBondContact O-N 2.84Å; F21-D23 VanDerWaalsContact C-N 3.35Å; F21-D23 PolarHBondContact O-N 3.46Å; D23-L25 VanDerWaalsContact C-N 3.27Å; D23-L25 PolarHBondContact O-N 3.49Å
24F91.4Very high93.3Very high92 Ų9262.9 Ų62.940%0.40435%0.353SS..Hα-helixtrans-66.5-29.3177.1178.3-93.2000112.6K20 F21 A22 V26 M75 F172 L176K20-F24 WeakPolarHBondContact O-CB 3.44Å; K20-F24 PolarHBondContact O-N 3.31Å; F21-F24 WeakPolarHBondContact O-CB 3.46Å; F21-F24 PolarHBondContact O-N 3.35Å; A22-F24 VanDerWaalsContact C-N 3.31Å; A22-F24 PolarHBondContact O-N 3.31Å; F24-V26 PolarHBondContact O-N 2.79Å; F24-M75 HydrophobicContact CE1-CE 4.26Å; F24-F172 AromaticContact CD1-CE2 3.92Å; F24-F172 HydrophobicContact CD1-CE2 3.92Å; F24-F172 HydrophobicContact CD1-CZ 4.01Å; F24-F172 HydrophobicContact CE1-CE2 4.07Å; F24-F172 HydrophobicContact CE1-CZ 4.03Å; F24-F172 HydrophobicContact CG-CZ 4.38Å; F24-F172 HydrophobicContact CZ-CZ 4.41Å; F24-L176 HydrophobicContact CE1-CD2 3.76Å; F24-L176 HydrophobicContact CZ-CD2 3.53Å
25L92.3Very high93.3Very high19 Ų1963.6 Ų63.610%0.09936%0.356CS..SBendtrans-75.6120.4-174.8-62.9174.5000111.4F21 A22 D23 V76 I79 R80 V84F21-L25 WeakPolarHBondContact O-CG 2.89Å; F21-L25 PolarHBondContact O-N 2.91Å; A22-L25 PolarHBondContact O-N 3.34Å; D23-L25 VanDerWaalsContact C-N 3.27Å; D23-L25 PolarHBondContact O-N 3.49Å; L25-V76 HydrophobicContact CB-CG1 4.11Å; L25-V76 HydrophobicContact CB-CG2 4.48Å; L25-V76 HydrophobicContact CD1-CG1 4.37Å; L25-V76 HydrophobicContact CD2-CB 4.43Å; L25-V76 HydrophobicContact CD2-CG1 4.27Å; L25-V76 HydrophobicContact CD2-CG2 4.31Å; L25-V76 HydrophobicContact CG-CG1 4.47Å; L25-I79 HydrophobicContact CD1-CG2 4.32Å; L25-I79 HydrophobicContact CD2-CB 3.78Å; L25-I79 HydrophobicContact CD2-CD1 4.03Å; L25-I79 HydrophobicContact CD2-CG2 3.67Å; L25-I79 HydrophobicContact CG-CG2 4.42Å; L25-R80 HydrophobicContact CD1-CB 4.23Å; L25-V84 HydrophobicContact CD1-CG2 3.96Å
26V89.4Confident93.4Very high38 Ų3865.5 Ų65.523%0.2336%0.36CS..PPolyproline II helixtrans-63.4150.8171.3-61.10000110.8F24 P28 T32 Q72 R73 V76F24-V26 PolarHBondContact O-N 2.79Å; V26-P28 WeakPolarHBondContact O-CD 3.42Å; V26-T32 HydrophobicContact CG2-CG2 4.21Å; V26-Q72 HydrophobicContact CG1-CG 4.44Å; V26-Q72 HydrophobicContact CG2-CG 4.32Å; V26-R73 HydrophobicContact CG2-CG 4.23Å; V26-V76 HydrophobicContact CG2-CG2 3.6Å; V26-V76 WeakPolarHBondContact O-CG2 3.42Å
27N90Very high93.5Very high88 Ų8864 Ų6447%0.47135%0.353SS..PPolyproline II helixtrans-66.5119.2171.9-179.6-14000109.2N29 S30N27-N29 PolarHBondContact O-N 2.94Å; N27-N29 VanDerWaalsContact O-N 3.11Å; N27-N29 PolarHBondContact OD1-N 2.94Å; N27-S30 PolarHBondContact ND2-OG 3.04Å; N27-S30 PolarHBondContact O-N 2.9Å
28P86.4Confident93.6Very high64 Ų6461.6 Ų61.642%0.41634%0.338SS..THydrogen-bonded Turntrans-66.9-13.4-176.928.6-36.3000113.4V26 R73V26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-R73 WeakPolarHBondContact O-CD 3.47Å
29N88.6Confident93.7Very high148 Ų14863.7 Ų63.779%0.79135%0.348SS*.THydrogen-bonded Turntrans-101.46.5177.2-59.9-37000112.6N27N27-N29 PolarHBondContact O-N 2.94Å; N27-N29 VanDerWaalsContact O-N 3.11Å; N27-N29 PolarHBondContact OD1-N 2.94Å
30S92.9Very high93.9Very high53 Ų5364.8 Ų64.837%0.37135%0.354SS..SBendtrans-119.3152.4-179.9-610000111.4N27 T32 R73N27-S30 PolarHBondContact ND2-OG 3.04Å; N27-S30 PolarHBondContact O-N 2.9Å; S30-T32 PolarHBondContact O-N 3.46Å; S30-R73 PolarHBondContact O-NH1 3.35Å
31M92.3Very high93.9Very high86 Ų8660.6 Ų60.642%0.42434%0.337SS..  trans-66.6132172.4-62.9-178.172.900110.4E35 K36 E39M31-E35 HydrophobicContact CB-CB 4.25Å; M31-E35 HydrophobicContact CE-CB 3.7Å; M31-K36 HydrophobicContact CB-CG 4.05Å; M31-K36 WeakPolarHBondContact O-CE 3.36Å; M31-E39 HydrophobicContact CE-CG 3.55Å
32T95.8Very high94Very high6 Ų660.6 Ų60.64%0.03734%0.341CS..  trans-70.6165.8170.6620000110.6V26 S30 A34 E35 K36 G69 Q72 R73V26-T32 HydrophobicContact CG2-CG2 4.21Å; S30-T32 PolarHBondContact O-N 3.46Å; T32-A34 PolarHBondContact O-N 3.45Å; T32-E35 WeakPolarHBondContact CB-OE2 3.36Å; T32-E35 PolarHBondContact N-OE2 2.98Å; T32-E35 PolarHBondContact O-N 3.5Å; T32-E35 WeakPolarHBondContact OG1-CG 3.33Å; T32-E35 PolarHBondContact OG1-N 2.67Å; T32-E35 PolarHBondContact OG1-OE2 2.82Å; T32-K36 WeakPolarHBondContact O-CG 3.47Å; T32-K36 PolarHBondContact O-N 2.92Å; T32-G69 WeakPolarHBondContact CG2-O 3.32Å; T32-G69 VanDerWaalsContact OG1-CA 3.26Å; T32-G69 WeakPolarHBondContact OG1-CA 3.31Å; T32-Q72 HydrophobicContact CG2-CB 4.23Å; T32-Q72 HydrophobicContact CG2-CG 4.37Å; T32-R73 HydrophobicContact CG2-CG 3.87Å
33S95.6Very high94.2Very high100 Ų10064.7 Ų64.770%0.69936%0.355SS*.Hα-helixtrans-61-35.1174.5-58.40000112.2K36 L37S33-K36 PolarHBondContact O-N 3.24Å; S33-L37 WeakPolarHBondContact O-CB 3.47Å; S33-L37 PolarHBondContact O-N 2.92Å
34A96.7Very high94.3Very high18 Ų1862.3 Ų62.315%0.14934%0.341CS..Hα-helixtrans-62.1-43.6175.300000111.5T32 L37 A38 L65T32-A34 PolarHBondContact O-N 3.45Å; A34-L37 WeakPolarHBondContact O-CB 3.46Å; A34-L37 PolarHBondContact O-N 3.23Å; A34-A38 PolarHBondContact O-N 3.16Å; A34-L65 HydrophobicContact CB-CD2 4.46Å
35E97.9Very high94.5Very high15 Ų1558 Ų587%0.0732%0.322CS..Hα-helixtrans-72-35.7178.3-71.1161.5127.400113.1M31 T32 L37 A38 E39 R73M31-E35 HydrophobicContact CB-CB 4.25Å; M31-E35 HydrophobicContact CE-CB 3.7Å; T32-E35 WeakPolarHBondContact CB-OE2 3.36Å; T32-E35 PolarHBondContact N-OE2 2.98Å; T32-E35 PolarHBondContact O-N 3.5Å; T32-E35 WeakPolarHBondContact OG1-CG 3.33Å; T32-E35 PolarHBondContact OG1-N 2.67Å; T32-E35 PolarHBondContact OG1-OE2 2.82Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.94Å; E35-A38 WeakPolarHBondContact O-CB 3.09Å; E35-A38 PolarHBondContact O-N 3.12Å; E35-A38 VanDerWaalsContact O-N 3.16Å; E35-E39 PolarHBondContact O-N 2.96Å; E35-R73 IonicContact OE1-CZ 2.67Å; E35-R73 IonicContact OE1-NH1 2.82Å; E35-R73 PolarHBondContact OE1-NH1 3.36Å; E35-R73 IonicContact OE1-NH2 3.83Å; E35-R73 PolarHBondContact OE1-NH2 3.02Å; E35-R73 IonicContact OE2-CZ 3.49Å; E35-R73 IonicContact OE2-NH1 2.83Å; E35-R73 PolarHBondContact OE2-NH1 2.98Å
36K98.1Very high94.5Very high131 Ų13161 Ų6157%0.5735%0.349SS*.Hα-helixtrans-60.8-40.4172.3-69.8173.9-175.4177.30110.9M31 T32 S33 E39 A40M31-K36 HydrophobicContact CB-CG 4.05Å; M31-K36 WeakPolarHBondContact O-CE 3.36Å; T32-K36 WeakPolarHBondContact O-CG 3.47Å; T32-K36 PolarHBondContact O-N 2.92Å; S33-K36 PolarHBondContact O-N 3.24Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-A40 PolarHBondContact O-N 3Å; K36-A40 VanDerWaalsContact O-N 3.14Å
37L97.8Very high94.7Very high79 Ų7967.1 Ų67.141%0.41438%0.375SS..Hα-helixtrans-66.8-38173.7-177.160.4000111.7S33 A34 E35 E39 A40 M41 L65S33-L37 WeakPolarHBondContact O-CB 3.47Å; S33-L37 PolarHBondContact O-N 2.92Å; A34-L37 WeakPolarHBondContact O-CB 3.46Å; A34-L37 PolarHBondContact O-N 3.23Å; E35-L37 VanDerWaalsContact C-N 3.26Å; E35-L37 PolarHBondContact O-N 2.94Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.34Å; L37-A40 PolarHBondContact O-N 3.01Å; L37-M41 HydrophobicContact CD1-CE 4.43Å; L37-M41 WeakPolarHBondContact O-CG 2.99Å; L37-M41 PolarHBondContact O-N 2.83Å; L37-L65 HydrophobicContact CB-CD1 4.11Å; L37-L65 HydrophobicContact CD2-CD1 3.74Å; L37-L65 HydrophobicContact CG-CD1 3.67Å
38A98Very high94.9Very high0 Ų064.4 Ų64.40%036%0.361CS..Hα-helixtrans-58.7-43.8174.400000112.3A34 E35 M41 A42 A62 L65 R66A34-A38 PolarHBondContact O-N 3.16Å; E35-A38 WeakPolarHBondContact O-CB 3.09Å; E35-A38 PolarHBondContact O-N 3.12Å; E35-A38 VanDerWaalsContact O-N 3.16Å; A38-M41 PolarHBondContact O-N 3.35Å; A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.39Å; A38-A62 HydrophobicContact CB-CB 4.35Å; A38-A62 WeakPolarHBondContact CB-O 3.36Å; A38-A62 VanDerWaalsContact O-CB 3.3Å; A38-A62 WeakPolarHBondContact O-CB 3.44Å; A38-L65 HydrophobicContact CB-CB 3.79Å; A38-R66 HydrophobicContact CB-CG 3.53Å
39E98.1Very high95.1Very high70 Ų7066 Ų6633%0.32737%0.367SS..Hα-helixtrans-64.5-40.9175.8-66.9-50.5128.800112.1M31 E35 K36 L37 M41 A42 Q43 R66M31-E39 HydrophobicContact CE-CG 3.55Å; E35-E39 PolarHBondContact O-N 2.96Å; K36-E39 PolarHBondContact O-N 3.43Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.34Å; E39-M41 VanDerWaalsContact C-N 3.33Å; E39-M41 PolarHBondContact O-N 2.91Å; E39-A42 PolarHBondContact O-N 3.23Å; E39-Q43 WeakPolarHBondContact O-CB 3.48Å; E39-Q43 VanDerWaalsContact O-CG 3.27Å; E39-Q43 WeakPolarHBondContact O-CG 3.36Å; E39-Q43 PolarHBondContact O-N 3.47Å; E39-R66 IonicContact OE1-CZ 2.9Å; E39-R66 VanDerWaalsContact OE1-CZ 3.32Å; E39-R66 IonicContact OE1-NE 3.37Å; E39-R66 PolarHBondContact OE1-NE 2.92Å; E39-R66 IonicContact OE1-NH2 2.62Å; E39-R66 PolarHBondContact OE1-NH2 3.39Å; E39-R66 IonicContact OE2-NH2 2.95Å; E39-R66 PolarHBondContact OE2-NH2 3.32Å
40A97.5Very high95.2Very high49 Ų4967.8 Ų67.841%0.40537%0.367SS..Hα-helixtrans-62.1-40.6174.800000112K36 L37 Q43 M44K36-A40 PolarHBondContact O-N 3Å; K36-A40 VanDerWaalsContact O-N 3.14Å; L37-A40 PolarHBondContact O-N 3.01Å; A40-Q43 PolarHBondContact O-N 3.48Å; A40-M44 WeakPolarHBondContact O-CB 3.49Å; A40-M44 PolarHBondContact O-N 3.32Å
41M96.5Very high95.2Very high44 Ų4469.9 Ų69.922%0.21738%0.382CS..Hα-helixtrans-66.4-39.7175.8-73.1-61.2-170.700112.3L37 A38 E39 M44 S45 F61 A62L37-M41 HydrophobicContact CD1-CE 4.43Å; L37-M41 WeakPolarHBondContact O-CG 2.99Å; L37-M41 PolarHBondContact O-N 2.83Å; A38-M41 PolarHBondContact O-N 3.35Å; E39-M41 VanDerWaalsContact C-N 3.33Å; E39-M41 PolarHBondContact O-N 2.91Å; M41-M44 PolarHBondContact O-N 3.4Å; M41-M44 HydrophobicContact SD-CE 3.59Å; M41-M44 VanDerWaalsContact SD-CE 3.59Å; M41-S45 PolarHBondContact O-N 3.5Å; M41-F61 HydrophobicContact CE-CD1 3.84Å; M41-F61 HydrophobicContact CE-CE1 3.89Å; M41-F61 HydrophobicContact CG-CD1 4.19Å; M41-F61 HydrophobicContact SD-CD1 4.44Å; M41-A62 HydrophobicContact CB-CB 3.85Å
42A96.5Very high95.2Very high18 Ų1873 Ų7315%0.14939%0.39CS..Hα-helixtrans-65.6-39.6174.800000111.9A38 E39 S45 A46 L59 A62A38-A42 WeakPolarHBondContact O-CB 3.44Å; A38-A42 PolarHBondContact O-N 3.39Å; E39-A42 PolarHBondContact O-N 3.23Å; A42-S45 WeakPolarHBondContact O-CB 3.36Å; A42-S45 PolarHBondContact O-N 3.06Å; A42-A46 PolarHBondContact O-N 3.13Å; A42-L59 HydrophobicContact CB-CD2 4.46Å; A42-A62 HydrophobicContact CB-CB 4.29Å
43Q96.1Very high95Very high117 Ų11776.8 Ų76.855%0.54742%0.422SS..Hα-helixtrans-65.2-42173.5-73174.49.500112.1E39 A40 S45 A46 H47E39-Q43 WeakPolarHBondContact O-CB 3.48Å; E39-Q43 VanDerWaalsContact O-CG 3.27Å; E39-Q43 WeakPolarHBondContact O-CG 3.36Å; E39-Q43 PolarHBondContact O-N 3.47Å; A40-Q43 PolarHBondContact O-N 3.48Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; Q43-A46 PolarHBondContact O-N 3.09Å; Q43-H47 PolarHBondContact O-N 2.9Å; Q43-H47 PolarHBondContact O-ND1 3.32Å
44M93.1Very high94.9Very high74 Ų7476.1 Ų76.137%0.36541%0.41SS..Hα-helixtrans-58.3-49.1173.6-179.2-178.872.300110.3A40 M41 A46 H47 V48 L54 A58A40-M44 WeakPolarHBondContact O-CB 3.49Å; A40-M44 PolarHBondContact O-N 3.32Å; M41-M44 PolarHBondContact O-N 3.4Å; M41-M44 HydrophobicContact SD-CE 3.59Å; M41-M44 VanDerWaalsContact SD-CE 3.59Å; M44-A46 VanDerWaalsContact C-N 3.3Å; M44-A46 PolarHBondContact O-N 3.36Å; M44-H47 PolarHBondContact O-N 3.15Å; M44-H47 VanDerWaalsContact O-N 3.09Å; M44-V48 HydrophobicContact CG-CG2 4.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.43Å; M44-V48 PolarHBondContact O-N 3.05Å; M44-L54 HydrophobicContact CE-CD1 4.19Å; M44-A58 HydrophobicContact CE-CB 3.5Å
45S94.5Very high94.7Very high2 Ų276.3 Ų76.31%0.01441%0.409CS..Hα-helixtrans-55.3-45.5176.3177.80000112.1M41 A42 Q43 H47 V48 N55 L59M41-S45 PolarHBondContact O-N 3.5Å; A42-S45 WeakPolarHBondContact O-CB 3.36Å; A42-S45 PolarHBondContact O-N 3.06Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; S45-H47 PolarHBondContact O-N 2.99Å; S45-H47 VanDerWaalsContact O-N 3.12Å; S45-V48 PolarHBondContact O-N 3.27Å; S45-N55 WeakPolarHBondContact CB-O 3.48Å; S45-N55 PolarHBondContact O-ND2 3.43Å; S45-N55 PolarHBondContact OG-ND2 3.39Å; S45-N55 PolarHBondContact OG-O 3.47Å; S45-L59 WeakPolarHBondContact OG-CD1 3.49Å; S45-L59 WeakPolarHBondContact OG-CG 3.4Å
46A93.4Very high94.4Very high81 Ų8180.3 Ų80.367%0.66943%0.43SS*.Hα-helixtrans-59.7-25.4-179.900000113.9A42 Q43 M44A42-A46 PolarHBondContact O-N 3.13Å; Q43-A46 PolarHBondContact O-N 3.09Å; M44-A46 VanDerWaalsContact C-N 3.3Å; M44-A46 PolarHBondContact O-N 3.36Å
47H93.9Very high94.2Very high166 Ų16677.4 Ų77.477%0.76942%0.42SS*.Hα-helixtrans-92.4-12.7176.3-61.9130.8000114.1Q43 M44 S45Q43-H47 PolarHBondContact O-N 2.9Å; Q43-H47 PolarHBondContact O-ND1 3.32Å; M44-H47 PolarHBondContact O-N 3.15Å; M44-H47 VanDerWaalsContact O-N 3.09Å; S45-H47 PolarHBondContact O-N 2.99Å; S45-H47 VanDerWaalsContact O-N 3.12Å
48V92.8Very high94.1Very high31 Ų3173.8 Ų73.819%0.18840%0.402CS..SBendtrans-87.3132.7176.4175.40000108.9M44 S45 K50 Y52 L54 N55M44-V48 HydrophobicContact CG-CG2 4.48Å; M44-V48 WeakPolarHBondContact O-CG2 3.43Å; M44-V48 PolarHBondContact O-N 3.05Å; S45-V48 PolarHBondContact O-N 3.27Å; V48-K50 PolarHBondContact O-N 2.98Å; V48-Y52 HydrophobicContact CG1-CD2 4.21Å; V48-Y52 HydrophobicContact CG1-CG 4.43Å; V48-L54 HydrophobicContact CG1-CB 4.31Å; V48-L54 HydrophobicContact CG2-CD2 4.04Å; V48-L54 HydrophobicContact CG2-CG 4.41Å; V48-N55 HydrophobicContact CB-CB 4.29Å; V48-N55 HydrophobicContact CG1-CB 4Å; V48-N55 PolarHBondContact O-ND2 3.39Å
49D90.6Very high94Very high98 Ų9877.2 Ų77.252%0.52442%0.42SS..  trans-56.6135.3175.3-177.9-64.5000110.7S51 Y52D49-S51 PolarHBondContact O-N 3.28Å; D49-S51 VanDerWaalsContact OD1-CB 3.25Å; D49-S51 WeakPolarHBondContact OD1-CB 3.47Å; D49-S51 PolarHBondContact OD1-N 3.23Å; D49-S51 PolarHBondContact OD1-OG 3.45Å; D49-Y52 HydrophobicContact CB-CD2 3.7Å; D49-Y52 HydrophobicContact CB-CE2 3.79Å; D49-Y52 PolarHBondContact O-N 2.82Å
50K91.7Very high93.9Very high186 Ų18679.8 Ų79.881%0.80943%0.43SS*.THydrogen-bonded Turntrans-62.3-17.8-172.8-63.6-177.3-179.7179.80113.8V48 Y52V48-K50 PolarHBondContact O-N 2.98Å; K50-Y52 VanDerWaalsContact C-N 3.3Å
51S92Very high93.9Very high97 Ų9779.5 Ų79.568%0.67842%0.42SS*.THydrogen-bonded Turntrans-72.9-20.5174.9640000113.4D49D49-S51 PolarHBondContact O-N 3.28Å; D49-S51 VanDerWaalsContact OD1-CB 3.25Å; D49-S51 WeakPolarHBondContact OD1-CB 3.47Å; D49-S51 PolarHBondContact OD1-N 3.23Å; D49-S51 PolarHBondContact OD1-OG 3.45Å
52Y92.9Very high93.9Very high152 Ų15277.4 Ų77.460%0.59641%0.409SS*.SBendtrans-83.5134.5178-65.3-74.5000111.7V48 D49 K50 L54 N55V48-Y52 HydrophobicContact CG1-CD2 4.21Å; V48-Y52 HydrophobicContact CG1-CG 4.43Å; D49-Y52 HydrophobicContact CB-CD2 3.7Å; D49-Y52 HydrophobicContact CB-CE2 3.79Å; D49-Y52 PolarHBondContact O-N 2.82Å; K50-Y52 VanDerWaalsContact C-N 3.3Å; Y52-L54 PolarHBondContact O-N 3.37Å; Y52-L54 VanDerWaalsContact O-N 3.08Å; Y52-N55 WeakPolarHBondContact O-CB 3.37Å; Y52-N55 PolarHBondContact O-N 2.97Å
53A91.4Very high94Very high85 Ų8581.3 Ų81.370%0.70242%0.424SS*.Hα-helixtrans-54.3-30.9175.900000113.3N55 L56 D57A53-N55 VanDerWaalsContact C-N 3.26Å; A53-N55 PolarHBondContact O-N 2.7Å; A53-L56 PolarHBondContact O-N 3.4Å; A53-D57 PolarHBondContact O-N 3.46Å
54L92.6Very high94.1Very high86 Ų8676.3 Ų76.345%0.4540%0.403SS..Hα-helixtrans-58.2-34.4176.6179.763.2000112.9M44 V48 Y52 L56 A58M44-L54 HydrophobicContact CE-CD1 4.19Å; V48-L54 HydrophobicContact CG1-CB 4.31Å; V48-L54 HydrophobicContact CG2-CD2 4.04Å; V48-L54 HydrophobicContact CG2-CG 4.41Å; Y52-L54 PolarHBondContact O-N 3.37Å; Y52-L54 VanDerWaalsContact O-N 3.08Å; L54-L56 PolarHBondContact O-N 3.09Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.46Å
55N93.3Very high94.4Very high22 Ų2273.6 Ų73.612%0.11839%0.389CS..Hα-helixtrans-58.4-49.5177.9173.6-87.1000110.8S45 V48 Y52 A53 L59S45-N55 WeakPolarHBondContact CB-O 3.48Å; S45-N55 PolarHBondContact O-ND2 3.43Å; S45-N55 PolarHBondContact OG-ND2 3.39Å; S45-N55 PolarHBondContact OG-O 3.47Å; V48-N55 HydrophobicContact CB-CB 4.29Å; V48-N55 HydrophobicContact CG1-CB 4Å; V48-N55 PolarHBondContact O-ND2 3.39Å; Y52-N55 WeakPolarHBondContact O-CB 3.37Å; Y52-N55 PolarHBondContact O-N 2.97Å; A53-N55 VanDerWaalsContact C-N 3.26Å; A53-N55 PolarHBondContact O-N 2.7Å; N55-L59 WeakPolarHBondContact O-CG 3.45Å; N55-L59 PolarHBondContact O-N 2.95Å
56L91.7Very high94.5Very high99 Ų9976.9 Ų76.952%0.51840%0.401SS..Hα-helixtrans-71.9-42-178.6-173.769.7000111.8A53 L54 L59 K60A53-L56 PolarHBondContact O-N 3.4Å; L54-L56 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 2.62Å; L56-K60 WeakPolarHBondContact O-CG 3.29Å; L56-K60 PolarHBondContact O-N 2.93Å
57D94.6Very high94.8Very high69 Ų6975.2 Ų75.237%0.36938%0.383SS..Hα-helixtrans-63.1-44.3-179.5-17453.3000112A53 L59 K60 F61 Y190A53-D57 PolarHBondContact O-N 3.46Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.19Å; D57-K60 PolarHBondContact O-N 2.9Å; D57-F61 PolarHBondContact O-N 3.37Å; D57-Y190 VanDerWaalsContact OD1-CE2 3.26Å; D57-Y190 WeakPolarHBondContact OD1-CE2 3.43Å; D57-Y190 PolarHBondContact OD1-OH 2.99Å; D57-Y190 PolarHBondContact OD2-OH 3.21Å; D57-Y190 VanDerWaalsContact OD2-OH 3.09Å
58A95Very high95Very high3 Ų368 Ų683%0.02535%0.35CS..Hα-helixtrans-61-36.8175.500000112.7M44 L54 A62M44-A58 HydrophobicContact CE-CB 3.5Å; L54-A58 WeakPolarHBondContact O-CB 3.38Å; L54-A58 PolarHBondContact O-N 3.46Å; A58-A62 VanDerWaalsContact O-CB 3.24Å; A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.94Å
59L95.3Very high95.2Very high73 Ų7366.6 Ų66.638%0.38234%0.341SS..Hα-helixtrans-68.3-42.2174.7-71.3169.1000112.2A42 S45 N55 L56 D57 F61 A62 E63A42-L59 HydrophobicContact CB-CD2 4.46Å; S45-L59 WeakPolarHBondContact OG-CD1 3.49Å; S45-L59 WeakPolarHBondContact OG-CG 3.4Å; N55-L59 WeakPolarHBondContact O-CG 3.45Å; N55-L59 PolarHBondContact O-N 2.95Å; L56-L59 PolarHBondContact O-N 2.62Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.19Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 3.28Å; L59-E63 PolarHBondContact O-N 3.48Å
60K95.8Very high95.5Very high123 Ų12367.3 Ų67.354%0.53534%0.34SS..Hα-helixtrans-62.3-44.7176.9-73.1178.5175.5-174.20111.2L56 D57 E63 C64 Y190L56-K60 WeakPolarHBondContact O-CG 3.29Å; L56-K60 PolarHBondContact O-N 2.93Å; D57-K60 PolarHBondContact O-N 2.9Å; K60-E63 PolarHBondContact O-N 3.49Å; K60-C64 PolarHBondContact O-N 3Å; K60-Y190 HydrophobicContact CB-CD2 4.19Å; K60-Y190 HydrophobicContact CB-CE2 4.3Å
61F97.6Very high95.7Very high44 Ų4459.1 Ų59.119%0.19331%0.307CS..Hα-helixtrans-68.3-38.7177.7-170.9-129.7000112.1M41 D57 L59 E63 C64 L65 L187 Y190M41-F61 HydrophobicContact CE-CD1 3.84Å; M41-F61 HydrophobicContact CE-CE1 3.89Å; M41-F61 HydrophobicContact CG-CD1 4.19Å; M41-F61 HydrophobicContact SD-CD1 4.44Å; D57-F61 PolarHBondContact O-N 3.37Å; L59-F61 VanDerWaalsContact C-N 3.35Å; F61-E63 VanDerWaalsContact C-N 3.31Å; F61-E63 PolarHBondContact O-N 2.91Å; F61-C64 HydrophobicContact CD2-CB 4.49Å; F61-C64 WeakPolarHBondContact O-CB 3.33Å; F61-C64 PolarHBondContact O-N 3.34Å; F61-L65 HydrophobicContact CD1-CD1 3.96Å; F61-L65 HydrophobicContact CD2-CG 4.43Å; F61-L65 HydrophobicContact CE1-CD1 3.66Å; F61-L65 HydrophobicContact CE1-CG 4.25Å; F61-L65 HydrophobicContact CE2-CD1 4.4Å; F61-L65 HydrophobicContact CE2-CD2 4.27Å; F61-L65 HydrophobicContact CE2-CG 4.09Å; F61-L65 HydrophobicContact CG-CD1 4.46Å; F61-L65 HydrophobicContact CZ-CD1 3.9Å; F61-L65 HydrophobicContact CZ-CD2 4.04Å; F61-L65 HydrophobicContact CZ-CG 4Å; F61-L65 WeakPolarHBondContact O-CG 3.42Å; F61-L65 PolarHBondContact O-N 3.42Å; F61-L187 HydrophobicContact CE2-CD2 4.2Å; F61-Y190 HydrophobicContact CB-CD2 4.18Å; F61-Y190 HydrophobicContact CB-CE1 4.4Å; F61-Y190 HydrophobicContact CB-CE2 3.67Å; F61-Y190 AromaticContact CD2-CD1 3.75Å; F61-Y190 HydrophobicContact CD2-CD1 3.75Å; F61-Y190 HydrophobicContact CD2-CD2 4.35Å; F61-Y190 AromaticContact CD2-CE1 3.65Å; F61-Y190 HydrophobicContact CD2-CE1 3.65Å; F61-Y190 HydrophobicContact CD2-CE2 4.27Å; F61-Y190 HydrophobicContact CD2-CG 4.11Å; F61-Y190 AromaticContact CD2-CZ 3.95Å; F61-Y190 HydrophobicContact CE2-CD1 4.3Å; F61-Y190 HydrophobicContact CE2-CE1 4.25Å; F61-Y190 HydrophobicContact CG-CE1 4.2Å; F61-Y190 HydrophobicContact CG-CE2 4.34Å
62A98Very high95.9Very high0 Ų056.8 Ų56.80%029%0.285CS..Hα-helixtrans-55.6-47.6171.500000111.2A38 M41 A42 A58 L59 L65 R66A38-A62 HydrophobicContact CB-CB 4.35Å; A38-A62 WeakPolarHBondContact CB-O 3.36Å; A38-A62 VanDerWaalsContact O-CB 3.3Å; A38-A62 WeakPolarHBondContact O-CB 3.44Å; M41-A62 HydrophobicContact CB-CB 3.85Å; A42-A62 HydrophobicContact CB-CB 4.29Å; A58-A62 VanDerWaalsContact O-CB 3.24Å; A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.94Å; L59-A62 WeakPolarHBondContact O-CB 3.48Å; L59-A62 PolarHBondContact O-N 3.28Å; A62-L65 PolarHBondContact O-N 2.99Å; A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 2.96Å
63E97.5Very high96Very high99 Ų9952.1 Ų52.146%0.46327%0.266SS..Hα-helixtrans-64.3-43.3179.5-170.156-155.200112.5L59 K60 F61 L65 R66 V67L59-E63 PolarHBondContact O-N 3.48Å; K60-E63 PolarHBondContact O-N 3.49Å; F61-E63 VanDerWaalsContact C-N 3.31Å; F61-E63 PolarHBondContact O-N 2.91Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 2.97Å; E63-R66 PolarHBondContact O-N 3.44Å; E63-R66 VanDerWaalsContact O-N 3.16Å; E63-R66 IonicContact OE2-NH1 2.72Å; E63-R66 PolarHBondContact OE2-NH1 2.89Å; E63-V67 WeakPolarHBondContact O-CG2 3.46Å; E63-V67 PolarHBondContact O-N 3.47Å
64C98.3Very high96.1Very high13 Ų1353.5 Ų53.59%0.08826%0.258CS..Hα-helixtrans-52.4-48.8171.9178.70000111.4K60 F61 R66 V67 I68 K186K60-C64 PolarHBondContact O-N 3Å; F61-C64 HydrophobicContact CD2-CB 4.49Å; F61-C64 WeakPolarHBondContact O-CB 3.33Å; F61-C64 PolarHBondContact O-N 3.34Å; C64-R66 PolarHBondContact O-N 2.72Å; C64-V67 PolarHBondContact O-N 3.19Å; C64-I68 WeakPolarHBondContact O-CG1 3.38Å; C64-I68 PolarHBondContact O-N 3.31Å; C64-K186 VanDerWaalsContact SG-C 3.59Å; C64-K186 PolarHBondContact SG-O 3.49Å
65L98.5Very high96.2Very high16 Ų1650.2 Ų50.28%0.08424%0.241CC..Hα-helixtrans-65.4-36.5178.8-72.2173.5000113.3A34 L37 A38 F61 A62 E63 I68 G69A34-L65 HydrophobicContact CB-CD2 4.46Å; L37-L65 HydrophobicContact CB-CD1 4.11Å; L37-L65 HydrophobicContact CD2-CD1 3.74Å; L37-L65 HydrophobicContact CG-CD1 3.67Å; A38-L65 HydrophobicContact CB-CB 3.79Å; F61-L65 HydrophobicContact CD1-CD1 3.96Å; F61-L65 HydrophobicContact CD2-CG 4.43Å; F61-L65 HydrophobicContact CE1-CD1 3.66Å; F61-L65 HydrophobicContact CE1-CG 4.25Å; F61-L65 HydrophobicContact CE2-CD1 4.4Å; F61-L65 HydrophobicContact CE2-CD2 4.27Å; F61-L65 HydrophobicContact CE2-CG 4.09Å; F61-L65 HydrophobicContact CG-CD1 4.46Å; F61-L65 HydrophobicContact CZ-CD1 3.9Å; F61-L65 HydrophobicContact CZ-CD2 4.04Å; F61-L65 HydrophobicContact CZ-CG 4Å; F61-L65 WeakPolarHBondContact O-CG 3.42Å; F61-L65 PolarHBondContact O-N 3.42Å; A62-L65 PolarHBondContact O-N 2.99Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 2.97Å; L65-I68 PolarHBondContact O-N 3.19Å; L65-G69 PolarHBondContact O-N 3.14Å
66R98.2Very high96.3Very high71 Ų7149.4 Ų49.427%0.26824%0.236SC..Hα-helixtrans-61.6-45.5174.2-70.8-167.7-175.9102.22.3111.3A38 E39 A62 E63 C64 G69 K70A38-R66 HydrophobicContact CB-CG 3.53Å; E39-R66 IonicContact OE1-CZ 2.9Å; E39-R66 VanDerWaalsContact OE1-CZ 3.32Å; E39-R66 IonicContact OE1-NE 3.37Å; E39-R66 PolarHBondContact OE1-NE 2.92Å; E39-R66 IonicContact OE1-NH2 2.62Å; E39-R66 PolarHBondContact OE1-NH2 3.39Å; E39-R66 IonicContact OE2-NH2 2.95Å; E39-R66 PolarHBondContact OE2-NH2 3.32Å; A62-R66 WeakPolarHBondContact O-CG 3.45Å; A62-R66 PolarHBondContact O-N 2.96Å; E63-R66 PolarHBondContact O-N 3.44Å; E63-R66 VanDerWaalsContact O-N 3.16Å; E63-R66 IonicContact OE2-NH1 2.72Å; E63-R66 PolarHBondContact OE2-NH1 2.89Å; C64-R66 PolarHBondContact O-N 2.72Å; R66-G69 PolarHBondContact O-N 3.27Å; R66-K70 WeakPolarHBondContact O-CB 3.35Å; R66-K70 PolarHBondContact O-N 3.28Å
67V98.3Very high96.4Very high46 Ų4647.7 Ų47.728%0.27924%0.237SC..Hα-helixtrans-62.8-44.3178.8174.80000110.8E63 C64 K70 A71 F182 K186E63-V67 WeakPolarHBondContact O-CG2 3.46Å; E63-V67 PolarHBondContact O-N 3.47Å; C64-V67 PolarHBondContact O-N 3.19Å; V67-K70 PolarHBondContact O-N 2.95Å; V67-A71 PolarHBondContact O-N 3.4Å; V67-F182 HydrophobicContact CG1-CE1 3.83Å; V67-F182 HydrophobicContact CG1-CZ 3.55Å; V67-K186 HydrophobicContact CG1-CD 4.31Å; V67-K186 HydrophobicContact CG1-CG 4.01Å
68I98.3Very high96.4Very high16 Ų1646.4 Ų46.48%0.08223%0.232CC..Hα-helixtrans-63-46.8176.5-68.1171.1000111.3C64 L65 K70 A71 Q72 F179 A183 K186 L187C64-I68 WeakPolarHBondContact O-CG1 3.38Å; C64-I68 PolarHBondContact O-N 3.31Å; L65-I68 PolarHBondContact O-N 3.19Å; I68-K70 VanDerWaalsContact C-N 3.32Å; I68-K70 PolarHBondContact O-N 3.49Å; I68-A71 PolarHBondContact O-N 2.89Å; I68-Q72 PolarHBondContact O-N 3.16Å; I68-F179 HydrophobicContact CG2-CE2 4.33Å; I68-F179 HydrophobicContact CG2-CZ 4.22Å; I68-A183 HydrophobicContact CD1-CB 4.33Å; I68-A183 HydrophobicContact CG1-CB 4.22Å; I68-A183 HydrophobicContact CG2-CB 4.1Å; I68-K186 HydrophobicContact CD1-CB 4.21Å; I68-K186 HydrophobicContact CG1-CB 4.02Å; I68-L187 HydrophobicContact CD1-CD2 4.18Å; I68-L187 HydrophobicContact CD1-CG 3.95Å
69G97.7Very high96.5Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-66.6-33.4179.800000113.3T32 L65 R66 Q72 R73T32-G69 WeakPolarHBondContact CG2-O 3.32Å; T32-G69 VanDerWaalsContact OG1-CA 3.26Å; T32-G69 WeakPolarHBondContact OG1-CA 3.31Å; L65-G69 PolarHBondContact O-N 3.14Å; R66-G69 PolarHBondContact O-N 3.27Å; G69-Q72 WeakPolarHBondContact O-CB 3.41Å; G69-Q72 PolarHBondContact O-N 3.41Å; G69-R73 PolarHBondContact O-N 2.8Å
70K96.2Very high96.5Very high114 Ų11448.2 Ų48.250%0.49623%0.233SC..Hα-helixtrans-61.6-48.2170-177.3179.6172.8-174.10111.4R66 V67 I68 Q72 R73 E74R66-K70 WeakPolarHBondContact O-CB 3.35Å; R66-K70 PolarHBondContact O-N 3.28Å; V67-K70 PolarHBondContact O-N 2.95Å; I68-K70 VanDerWaalsContact C-N 3.32Å; I68-K70 PolarHBondContact O-N 3.49Å; K70-Q72 VanDerWaalsContact C-N 3.26Å; K70-Q72 PolarHBondContact O-N 3.09Å; K70-R73 WeakPolarHBondContact O-CB 3.39Å; K70-R73 PolarHBondContact O-N 3.01Å; K70-R73 VanDerWaalsContact O-N 3.07Å; K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 IonicContact NZ-OE1 3.96Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 3.28Å
71A96.3Very high96.5Very high14 Ų1448.8 Ų48.812%0.11624%0.238CC..Hα-helixtrans-60.7-35.8176.500000112.5V67 I68 R73 E74 M75 F179 F182V67-A71 PolarHBondContact O-N 3.4Å; I68-A71 PolarHBondContact O-N 2.89Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.03Å; A71-E74 PolarHBondContact O-N 3.48Å; A71-M75 PolarHBondContact O-N 3.34Å; A71-M75 VanDerWaalsContact O-N 3.13Å; A71-F179 HydrophobicContact CB-CD2 4.22Å; A71-F179 HydrophobicContact CB-CE2 4.31Å; A71-F182 HydrophobicContact CB-CD1 3.61Å; A71-F182 HydrophobicContact CB-CE1 3.47Å; A71-F182 VanDerWaalsContact CB-CE1 3.47Å; A71-F182 HydrophobicContact CB-CZ 4.44Å
72Q96.1Very high96.4Very high47 Ų4750.5 Ų50.522%0.2225%0.249CC..Hα-helixtrans-61.6-36.5175-171-178.410.400112.1V26 T32 I68 G69 K70 M75 F179V26-Q72 HydrophobicContact CG1-CG 4.44Å; V26-Q72 HydrophobicContact CG2-CG 4.32Å; T32-Q72 HydrophobicContact CG2-CB 4.23Å; T32-Q72 HydrophobicContact CG2-CG 4.37Å; I68-Q72 PolarHBondContact O-N 3.16Å; G69-Q72 WeakPolarHBondContact O-CB 3.41Å; G69-Q72 PolarHBondContact O-N 3.41Å; K70-Q72 VanDerWaalsContact C-N 3.26Å; K70-Q72 PolarHBondContact O-N 3.09Å; Q72-M75 HydrophobicContact CB-CE 4.33Å; Q72-M75 HydrophobicContact CG-CE 3.56Å; Q72-M75 WeakPolarHBondContact O-CG 3.37Å; Q72-F179 HydrophobicContact CB-CD2 4.44Å; Q72-F179 HydrophobicContact CB-CE2 3.61Å; Q72-F179 HydrophobicContact CB-CZ 3.87Å; Q72-F179 HydrophobicContact CG-CE2 4.28Å; Q72-F179 HydrophobicContact CG-CZ 4.13Å
73R95.2Very high96.4Very high55 Ų5550.5 Ų50.521%0.20825%0.249CC..Hα-helixtrans-72-38.9172.6-70.9-162-65.9-91.3-15.5112.7V26 P28 S30 T32 E35 G69 K70 A71 M75 V76V26-R73 HydrophobicContact CG2-CG 4.23Å; P28-R73 WeakPolarHBondContact O-CD 3.47Å; S30-R73 PolarHBondContact O-NH1 3.35Å; T32-R73 HydrophobicContact CG2-CG 3.87Å; E35-R73 IonicContact OE1-CZ 2.67Å; E35-R73 IonicContact OE1-NH1 2.82Å; E35-R73 PolarHBondContact OE1-NH1 3.36Å; E35-R73 IonicContact OE1-NH2 3.83Å; E35-R73 PolarHBondContact OE1-NH2 3.02Å; E35-R73 IonicContact OE2-CZ 3.49Å; E35-R73 IonicContact OE2-NH1 2.83Å; E35-R73 PolarHBondContact OE2-NH1 2.98Å; G69-R73 PolarHBondContact O-N 2.8Å; K70-R73 WeakPolarHBondContact O-CB 3.39Å; K70-R73 PolarHBondContact O-N 3.01Å; K70-R73 VanDerWaalsContact O-N 3.07Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.03Å; R73-M75 VanDerWaalsContact C-N 3.29Å; R73-M75 PolarHBondContact O-N 3.42Å; R73-V76 WeakPolarHBondContact O-CB 3.42Å; R73-V76 WeakPolarHBondContact O-CG2 3.38Å; R73-V76 PolarHBondContact O-N 2.9Å
74E93.6Very high96.3Very high114 Ų11445.8 Ų45.853%0.53323%0.227SC..Hα-helixtrans-64.7-33.4-176.6-73172.6170.500112.2K70 A71 V76 P78K70-E74 WeakPolarHBondContact CE-OE1 3.3Å; K70-E74 IonicContact NZ-OE1 3.96Å; K70-E74 WeakPolarHBondContact O-CG 3.33Å; K70-E74 PolarHBondContact O-N 3.28Å; A71-E74 PolarHBondContact O-N 3.48Å; E74-V76 PolarHBondContact O-N 3.3Å; E74-P78 WeakPolarHBondContact O-CD 3.41Å
75M94.3Very high96.2Very high17 Ų1748.5 Ų48.58%0.08424%0.243CC..THydrogen-bonded Turntrans-67.5-14.7174.166.5156.5167.300114.1F24 A71 Q72 R73 A77 P78 I79 L176 F179F24-M75 HydrophobicContact CE1-CE 4.26Å; A71-M75 PolarHBondContact O-N 3.34Å; A71-M75 VanDerWaalsContact O-N 3.13Å; Q72-M75 HydrophobicContact CB-CE 4.33Å; Q72-M75 HydrophobicContact CG-CE 3.56Å; Q72-M75 WeakPolarHBondContact O-CG 3.37Å; R73-M75 VanDerWaalsContact C-N 3.29Å; R73-M75 PolarHBondContact O-N 3.42Å; M75-A77 PolarHBondContact O-N 2.89Å; M75-P78 WeakPolarHBondContact O-CD 3.43Å; M75-I79 HydrophobicContact CB-CD1 4.39Å; M75-I79 HydrophobicContact CG-CD1 4.35Å; M75-I79 WeakPolarHBondContact O-CG1 3.36Å; M75-I79 PolarHBondContact O-N 3.34Å; M75-I79 HydrophobicContact SD-CD1 3.91Å; M75-L176 HydrophobicContact SD-CD2 4.27Å; M75-F179 HydrophobicContact CE-CD1 4.07Å; M75-F179 HydrophobicContact CE-CD2 4.39Å; M75-F179 HydrophobicContact CE-CE1 4.31Å; M75-F179 HydrophobicContact CE-CG 4.11Å; M75-F179 HydrophobicContact SD-CB 4.04Å; M75-F179 HydrophobicContact SD-CD1 4.41Å; M75-F179 HydrophobicContact SD-CG 4.07Å
76V95.1Very high96.1Very high4 Ų449.6 Ų49.62%0.02425%0.251CS..Hα-helixtrans-64.7-43.4-176.9172.80000111.9L25 V26 R73 E74 I79 R80L25-V76 HydrophobicContact CB-CG1 4.11Å; L25-V76 HydrophobicContact CB-CG2 4.48Å; L25-V76 HydrophobicContact CD1-CG1 4.37Å; L25-V76 HydrophobicContact CD2-CB 4.43Å; L25-V76 HydrophobicContact CD2-CG1 4.27Å; L25-V76 HydrophobicContact CD2-CG2 4.31Å; L25-V76 HydrophobicContact CG-CG1 4.47Å; V26-V76 HydrophobicContact CG2-CG2 3.6Å; V26-V76 WeakPolarHBondContact O-CG2 3.42Å; R73-V76 WeakPolarHBondContact O-CB 3.42Å; R73-V76 WeakPolarHBondContact O-CG2 3.38Å; R73-V76 PolarHBondContact O-N 2.9Å; E74-V76 PolarHBondContact O-N 3.3Å; V76-I79 PolarHBondContact O-N 2.91Å; V76-R80 VanDerWaalsContact O-CB 3.26Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 3.05Å
77A94.2Very high96.1Very high64 Ų6446.2 Ų46.253%0.52924%0.239SC..Hα-helixtrans-64.4-50.9-177.200000111.9M75 I79 R80 E81M75-A77 PolarHBondContact O-N 2.89Å; A77-I79 PolarHBondContact O-N 2.9Å; A77-R80 PolarHBondContact O-N 3.25Å; A77-E81 WeakPolarHBondContact O-CB 3.45Å; A77-E81 PolarHBondContact O-N 2.93Å
78P95.1Very high96Very high42 Ų4246.8 Ų46.827%0.27324%0.238SC..Hα-helixtrans-57.8-41.8174.8-2734.6000114.1E74 M75 E81 N82 N175E74-P78 WeakPolarHBondContact O-CD 3.41Å; M75-P78 WeakPolarHBondContact O-CD 3.43Å; P78-E81 PolarHBondContact O-N 2.89Å; P78-N82 VanDerWaalsContact O-CB 3.29Å; P78-N82 WeakPolarHBondContact O-CB 3.27Å; P78-N82 PolarHBondContact O-N 3.01Å; P78-N82 PolarHBondContact O-ND2 3Å; P78-N175 WeakPolarHBondContact CB-OD1 3.3Å
79I96.4Very high95.9Very high0 Ų051.7 Ų51.70%026%0.259CS..Hα-helixtrans-67.2-41.1178.1-65.5167.1000110.5L25 M75 V76 A77 E81 V83 V84 F172 N175L25-I79 HydrophobicContact CD1-CG2 4.32Å; L25-I79 HydrophobicContact CD2-CB 3.78Å; L25-I79 HydrophobicContact CD2-CD1 4.03Å; L25-I79 HydrophobicContact CD2-CG2 3.67Å; L25-I79 HydrophobicContact CG-CG2 4.42Å; M75-I79 HydrophobicContact CB-CD1 4.39Å; M75-I79 HydrophobicContact CG-CD1 4.35Å; M75-I79 WeakPolarHBondContact O-CG1 3.36Å; M75-I79 PolarHBondContact O-N 3.34Å; M75-I79 HydrophobicContact SD-CD1 3.91Å; V76-I79 PolarHBondContact O-N 2.91Å; A77-I79 PolarHBondContact O-N 2.9Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 3.3Å; I79-V83 HydrophobicContact CG2-CB 4.14Å; I79-V83 HydrophobicContact CG2-CG2 4.09Å; I79-V83 WeakPolarHBondContact O-CA 3.41Å; I79-V83 WeakPolarHBondContact O-CB 3.25Å; I79-V83 PolarHBondContact O-N 3.29Å; I79-V84 PolarHBondContact O-N 3.1Å; I79-V84 VanDerWaalsContact O-N 3.15Å; I79-F172 HydrophobicContact CD1-CD2 4.1Å; I79-F172 HydrophobicContact CD1-CE2 4.01Å; I79-F172 HydrophobicContact CG1-CD2 4.21Å; I79-F172 HydrophobicContact CG2-CD2 3.78Å; I79-F172 HydrophobicContact CG2-CE2 4.13Å; I79-N175 HydrophobicContact CD1-CB 4.14Å; I79-N175 HydrophobicContact CG1-CB 3.84Å
80R95.7Very high95.9Very high114 Ų11452.4 Ų52.443%0.4326%0.262SS..Iπ-helixtrans-63-41.8177.5-177.1174-67.9-87.9-3.1112L25 V76 A77 T85L25-R80 HydrophobicContact CD1-CB 4.23Å; V76-R80 VanDerWaalsContact O-CB 3.26Å; V76-R80 WeakPolarHBondContact O-CB 3.41Å; V76-R80 PolarHBondContact O-N 3.05Å; A77-R80 PolarHBondContact O-N 3.25Å; R80-T85 VanDerWaalsContact O-CB 3.31Å; R80-T85 WeakPolarHBondContact O-CB 3.31Å; R80-T85 PolarHBondContact O-N 2.88Å; R80-T85 PolarHBondContact O-OG1 3.34Å
81E95.7Very high96Very high135 Ų13548.3 Ų48.363%0.63125%0.245SC*.Iπ-helixtrans-73.3-43.5-178.6-176174.1-168.600112.6A77 P78 I79 P86A77-E81 WeakPolarHBondContact O-CB 3.45Å; A77-E81 PolarHBondContact O-N 2.93Å; P78-E81 PolarHBondContact O-N 2.89Å; I79-E81 VanDerWaalsContact C-N 3.34Å; I79-E81 PolarHBondContact O-N 3.3Å; E81-P86 WeakPolarHBondContact O-CD 3.3Å; E81-P86 WeakPolarHBondContact O-CG 3.41Å
82N96.1Very high96Very high80 Ų8054.7 Ų54.743%0.42827%0.271SS..Iπ-helixtrans-97.7-13.3-170.5-61.7-64.9000114.3P78P78-N82 VanDerWaalsContact O-CB 3.29Å; P78-N82 WeakPolarHBondContact O-CB 3.27Å; P78-N82 PolarHBondContact O-N 3.01Å; P78-N82 PolarHBondContact O-ND2 3Å
83V97.1Very high96Very high0 Ų056.7 Ų56.70%028%0.28CS..Iπ-helixtrans-122.2-64.3-176.7-169.10000109.8F21 I79 P86 M87 M168 A171 F172F21-V83 HydrophobicContact CD1-CG1 4.47Å; F21-V83 HydrophobicContact CD2-CG1 3.74Å; F21-V83 HydrophobicContact CE2-CG1 3.79Å; F21-V83 HydrophobicContact CG-CG1 4.1Å; F21-V83 HydrophobicContact CZ-CG1 4.24Å; I79-V83 HydrophobicContact CG2-CB 4.14Å; I79-V83 HydrophobicContact CG2-CG2 4.09Å; I79-V83 WeakPolarHBondContact O-CA 3.41Å; I79-V83 WeakPolarHBondContact O-CB 3.25Å; I79-V83 PolarHBondContact O-N 3.29Å; V83-P86 WeakPolarHBondContact O-CD 3.5Å; V83-M87 HydrophobicContact CG1-SD 4.07Å; V83-M87 WeakPolarHBondContact O-CG 3.5Å; V83-M87 PolarHBondContact O-N 3.42Å; V83-M168 HydrophobicContact CG1-CB 4.24Å; V83-A171 HydrophobicContact CG2-CB 4.42Å; V83-F172 HydrophobicContact CG1-CB 4.4Å; V83-F172 HydrophobicContact CG2-CB 4Å
84V96.6Very high96Very high0 Ų056.4 Ų56.40%028%0.281CS..Iπ-helixtrans-67.6-49.8-170.71790000112.3Q18 F21 L25 I79 M87 Q88Q18-V84 HydrophobicContact CG-CG1 4.36Å; F21-V84 HydrophobicContact CB-CG2 3.89Å; L25-V84 HydrophobicContact CD1-CG2 3.96Å; I79-V84 PolarHBondContact O-N 3.1Å; I79-V84 VanDerWaalsContact O-N 3.15Å; V84-M87 PolarHBondContact O-N 3.3Å; V84-Q88 HydrophobicContact CG1-CG 4.41Å; V84-Q88 WeakPolarHBondContact O-CG 3.14Å; V84-Q88 PolarHBondContact O-N 3.07Å
85T95.9Very high96.1Very high70 Ų7051.3 Ų51.343%0.42926%0.258SS..Hα-helixtrans-62.4-45.4-177.4-58.70000112.3R80 M87 Q88 K89R80-T85 VanDerWaalsContact O-CB 3.31Å; R80-T85 WeakPolarHBondContact O-CB 3.31Å; R80-T85 PolarHBondContact O-N 2.88Å; R80-T85 PolarHBondContact O-OG1 3.34Å; T85-M87 PolarHBondContact O-N 2.88Å; T85-Q88 WeakPolarHBondContact O-CB 3.36Å; T85-Q88 PolarHBondContact O-N 2.95Å; T85-K89 PolarHBondContact O-N 3.26Å
86P96.8Very high96.1Very high39 Ų3954.2 Ų54.225%0.25328%0.277SS..Hα-helixtrans-61.1-39.5175-28.938000113.7E81 V83 K89 F90 M168E81-P86 WeakPolarHBondContact O-CD 3.3Å; E81-P86 WeakPolarHBondContact O-CG 3.41Å; V83-P86 WeakPolarHBondContact O-CD 3.5Å; P86-K89 WeakPolarHBondContact O-CB 3.41Å; P86-K89 PolarHBondContact O-N 3.45Å; P86-F90 PolarHBondContact O-N 3.3Å; P86-M168 HydrophobicContact CB-CE 3.4Å; P86-M168 VanDerWaalsContact CB-CE 3.4Å; P86-M168 HydrophobicContact CB-CG 4.42Å; P86-M168 HydrophobicContact CB-SD 3.8Å
87M97.8Very high96.2Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-62.8-43.8173.9-65.8174.482.600111.3T14 V17 Q18 F21 V83 V84 T85 K89 F90 L91 M168T14-M87 HydrophobicContact CG2-CB 4.23Å; T14-M87 HydrophobicContact CG2-CE 3.98Å; T14-M87 HydrophobicContact CG2-CG 4.5Å; T14-M87 WeakPolarHBondContact O-CE 3.48Å; V17-M87 HydrophobicContact CB-CE 4.01Å; V17-M87 HydrophobicContact CG1-CE 3.84Å; Q18-M87 HydrophobicContact CB-CB 4.02Å; Q18-M87 HydrophobicContact CB-CE 3.88Å; Q18-M87 HydrophobicContact CB-SD 4.23Å; Q18-M87 HydrophobicContact CG-CB 3.8Å; F21-M87 HydrophobicContact CD2-CE 4.22Å; F21-M87 HydrophobicContact CD2-SD 3.68Å; F21-M87 HydrophobicContact CE2-CE 4.36Å; F21-M87 HydrophobicContact CE2-SD 4.01Å; V83-M87 HydrophobicContact CG1-SD 4.07Å; V83-M87 WeakPolarHBondContact O-CG 3.5Å; V83-M87 PolarHBondContact O-N 3.42Å; V84-M87 PolarHBondContact O-N 3.3Å; T85-M87 PolarHBondContact O-N 2.88Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 3.36Å; M87-F90 PolarHBondContact O-N 2.94Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 3.47Å; M87-M168 HydrophobicContact CG-SD 3.49Å; M87-M168 WeakPolarHBondContact CG-SD 3.23Å
88Q96.8Very high96.3Very high57 Ų5754.8 Ų54.827%0.26627%0.271SS..Hα-helixtrans-62.2-37.6175.4-72.1177.9-4.700112.5Q18 V84 T85 L91 K92Q18-Q88 HydrophobicContact CG-CG 3.95Å; V84-Q88 HydrophobicContact CG1-CG 4.41Å; V84-Q88 WeakPolarHBondContact O-CG 3.14Å; V84-Q88 PolarHBondContact O-N 3.07Å; T85-Q88 WeakPolarHBondContact O-CB 3.36Å; T85-Q88 PolarHBondContact O-N 2.95Å; Q88-L91 PolarHBondContact O-N 3.39Å; Q88-K92 WeakPolarHBondContact O-CB 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.48Å; Q88-K92 PolarHBondContact O-N 3.18Å
89K96.3Very high96.2Very high119 Ų11959.8 Ų59.852%0.51729%0.288SS..Hα-helixtrans-62.1-48.3175.9-172.8-179.2178179.60110.9T85 P86 M87 L91 K92 E93T85-K89 PolarHBondContact O-N 3.26Å; P86-K89 WeakPolarHBondContact O-CB 3.41Å; P86-K89 PolarHBondContact O-N 3.45Å; M87-K89 VanDerWaalsContact C-N 3.3Å; M87-K89 PolarHBondContact O-N 3.36Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3.11Å; K89-K92 PolarHBondContact O-N 3.29Å; K89-E93 VanDerWaalsContact CE-CD 3.49Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact CE-OE2 3.47Å; K89-E93 HydrophobicContact CG-CG 4.34Å; K89-E93 WeakPolarHBondContact CG-OE1 3.34Å; K89-E93 WeakPolarHBondContact CG-OE2 3.39Å; K89-E93 IonicContact NZ-OE2 2.76Å; K89-E93 WeakPolarHBondContact O-CB 3.43Å; K89-E93 PolarHBondContact O-N 3.22Å
90F97.1Very high96.3Very high16 Ų1665.8 Ų65.87%0.0731%0.314CS..Iπ-helixtrans-55.1-46.1173.8166.5-96.1000111.9F7 F10 T14 P86 M87 K92 E94 A95 H161F7-F90 HydrophobicContact CE1-CE2 4.23Å; F7-F90 AromaticContact CE1-CZ 3.96Å; F7-F90 HydrophobicContact CE1-CZ 3.96Å; F7-F90 HydrophobicContact CZ-CE2 4.01Å; F7-F90 HydrophobicContact CZ-CZ 4.2Å; F10-F90 HydrophobicContact CD1-CE1 4Å; F10-F90 HydrophobicContact CD1-CE2 4.22Å; F10-F90 AromaticContact CD1-CZ 3.52Å; F10-F90 HydrophobicContact CD1-CZ 3.52Å; F10-F90 HydrophobicContact CE1-CD1 4.48Å; F10-F90 HydrophobicContact CE1-CD2 4.49Å; F10-F90 AromaticContact CE1-CE1 3.81Å; F10-F90 HydrophobicContact CE1-CE1 3.81Å; F10-F90 AromaticContact CE1-CE2 3.84Å; F10-F90 HydrophobicContact CE1-CE2 3.84Å; F10-F90 AromaticContact CE1-CZ 3.46Å; F10-F90 HydrophobicContact CE1-CZ 3.46Å; F10-F90 VanDerWaalsContact CE1-CZ 3.46Å; T14-F90 HydrophobicContact CG2-CD1 3.7Å; T14-F90 HydrophobicContact CG2-CE1 4.1Å; P86-F90 PolarHBondContact O-N 3.3Å; M87-F90 PolarHBondContact O-N 2.94Å; F90-K92 PolarHBondContact O-N 2.99Å; F90-E94 HydrophobicContact CD2-CB 3.64Å; F90-E94 HydrophobicContact CD2-CG 4.05Å; F90-E94 HydrophobicContact CE2-CB 3.9Å; F90-E94 PolarHBondContact O-N 2.96Å; F90-A95 HydrophobicContact CE1-CB 4.44Å; F90-A95 HydrophobicContact CZ-CB 4.5Å; F90-A95 PolarHBondContact O-N 2.92Å; F90-H161 HydrophobicContact CD2-CB 4.04Å; F90-H161 AromaticContact CD2-CG 3.78Å; F90-H161 AromaticContact CD2-ND1 3.78Å; F90-H161 HydrophobicContact CE2-CB 3.82Å; F90-H161 AromaticContact CE2-CD2 3.76Å; F90-H161 AromaticContact CE2-CG 3.63Å
91L97.4Very high96.3Very high27 Ų2760.5 Ų60.514%0.14130%0.295CS..Iπ-helixtrans-65.6-38.7-179.4-68.1166.9000113.1R11 T14 D15 Q18 M87 Q88 K89R11-L91 HydrophobicContact CG-CD2 3.99Å; T14-L91 HydrophobicContact CG2-CD1 4.34Å; T14-L91 HydrophobicContact CG2-CD2 4.12Å; T14-L91 HydrophobicContact CG2-CG 4.11Å; D15-L91 HydrophobicContact CB-CD1 4.2Å; D15-L91 HydrophobicContact CB-CD2 3.94Å; Q18-L91 HydrophobicContact CB-CD1 4.3Å; Q18-L91 HydrophobicContact CG-CD1 4.42Å; M87-L91 WeakPolarHBondContact O-CG 3.35Å; M87-L91 PolarHBondContact O-N 3.47Å; Q88-L91 PolarHBondContact O-N 3.39Å; K89-L91 VanDerWaalsContact C-N 3.31Å; K89-L91 PolarHBondContact O-N 3.11Å
92K96.4Very high96.2Very high149 Ų14956.5 Ų56.565%0.64828%0.276SS*.Iπ-helixtrans-82.3-28.2-176.9-72.9178.1179.5176.60113.8Q88 K89 F90 V96Q88-K92 WeakPolarHBondContact O-CB 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.48Å; Q88-K92 PolarHBondContact O-N 3.18Å; K89-K92 PolarHBondContact O-N 3.29Å; F90-K92 PolarHBondContact O-N 2.99Å; K92-V96 WeakPolarHBondContact O-CB 3.5Å; K92-V96 VanDerWaalsContact O-CG2 3.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.4Å
93E96.1Very high96.3Very high88 Ų8856 Ų5641%0.41128%0.278SS..Iπ-helixtrans-107.2-69.1-174.9-62.2175.7-169.900110.2K89 V96 N97K89-E93 VanDerWaalsContact CE-CD 3.49Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact CE-OE2 3.47Å; K89-E93 HydrophobicContact CG-CG 4.34Å; K89-E93 WeakPolarHBondContact CG-OE1 3.34Å; K89-E93 WeakPolarHBondContact CG-OE2 3.39Å; K89-E93 IonicContact NZ-OE2 2.76Å; K89-E93 WeakPolarHBondContact O-CB 3.43Å; K89-E93 PolarHBondContact O-N 3.22Å; E93-V96 PolarHBondContact O-N 3.46Å; E93-N97 WeakPolarHBondContact O-CB 3.35Å; E93-N97 PolarHBondContact O-N 3.35Å; E93-N97 PolarHBondContact O-ND2 3.05Å
94E95.4Very high96.3Very high49 Ų4958.7 Ų58.723%0.22929%0.291CS..Iπ-helixtrans-69.6-43.3-168.8-52.5-63.4-177.600112.4F90 V96 N97 F98F90-E94 HydrophobicContact CD2-CB 3.64Å; F90-E94 HydrophobicContact CD2-CG 4.05Å; F90-E94 HydrophobicContact CE2-CB 3.9Å; F90-E94 PolarHBondContact O-N 2.96Å; E94-V96 VanDerWaalsContact C-N 3.32Å; E94-V96 PolarHBondContact O-N 3.16Å; E94-N97 PolarHBondContact O-N 3.44Å; E94-F98 WeakPolarHBondContact O-CB 3.35Å; E94-F98 PolarHBondContact O-N 3.35Å
95A95.3Very high96.3Very high7 Ų759.6 Ų59.66%0.05830%0.296CS..Hα-helixtrans-67.5-33.6176.900000112.6R11 F90 K99R11-A95 HydrophobicContact CB-CB 4.42Å; R11-A95 HydrophobicContact CG-CB 3.8Å; F90-A95 HydrophobicContact CE1-CB 4.44Å; F90-A95 HydrophobicContact CZ-CB 4.5Å; F90-A95 PolarHBondContact O-N 2.92Å; A95-K99 WeakPolarHBondContact O-CB 3.18Å; A95-K99 PolarHBondContact O-N 3.03Å
96V95.9Very high96.3Very high78 Ų7860.3 Ų60.347%0.47330%0.297SS..Hα-helixtrans-69.5-43.7174.9174.30000110.6K92 E93 E94 K99 K100K92-V96 WeakPolarHBondContact O-CB 3.5Å; K92-V96 VanDerWaalsContact O-CG2 3.25Å; K92-V96 WeakPolarHBondContact O-CG2 3.4Å; E93-V96 PolarHBondContact O-N 3.46Å; E94-V96 VanDerWaalsContact C-N 3.32Å; E94-V96 PolarHBondContact O-N 3.16Å; V96-K99 PolarHBondContact O-N 3.32Å; V96-K100 WeakPolarHBondContact O-CB 3.49Å; V96-K100 PolarHBondContact O-N 2.92Å
97N95.9Very high96.3Very high76 Ų7661.9 Ų61.941%0.40631%0.306SS..Hα-helixtrans-60.5-45.7175.6-72.8-22.4000111.4E93 E94 K99 K100 A101E93-N97 WeakPolarHBondContact O-CB 3.35Å; E93-N97 PolarHBondContact O-N 3.35Å; E93-N97 PolarHBondContact O-ND2 3.05Å; E94-N97 PolarHBondContact O-N 3.44Å; N97-K99 PolarHBondContact O-N 3.37Å; N97-K100 PolarHBondContact O-N 2.92Å; N97-A101 WeakPolarHBondContact O-CB 3.47Å; N97-A101 PolarHBondContact O-N 3.5Å
98F95.9Very high96.3Very high5 Ų562.1 Ų62.12%0.02231%0.307CS..Hα-helixtrans-57.7-48.6174.4176.5-90.9000111.9C4 F7 E8 E94 K100 A101 K102 F151 I154 A155C4-F98 HydrophobicContact CB-CZ 4.29Å; F7-F98 HydrophobicContact CB-CD1 4.35Å; F7-F98 HydrophobicContact CB-CD2 4.07Å; F7-F98 HydrophobicContact CB-CE1 4.03Å; F7-F98 HydrophobicContact CB-CE2 3.71Å; F7-F98 HydrophobicContact CB-CG 4.4Å; F7-F98 HydrophobicContact CB-CZ 3.72Å; F7-F98 HydrophobicContact CD1-CB 3.93Å; F7-F98 AromaticContact CD1-CD1 3.61Å; F7-F98 HydrophobicContact CD1-CD1 3.61Å; F7-F98 AromaticContact CD1-CD2 3.81Å; F7-F98 HydrophobicContact CD1-CD2 3.81Å; F7-F98 HydrophobicContact CD1-CE1 4.13Å; F7-F98 HydrophobicContact CD1-CE2 4.3Å; F7-F98 AromaticContact CD1-CG 3.46Å; F7-F98 HydrophobicContact CD1-CG 3.46Å; F7-F98 VanDerWaalsContact CD1-CG 3.46Å; F7-F98 HydrophobicContact CD1-CZ 4.46Å; F7-F98 AromaticContact CD2-CD2 3.61Å; F7-F98 HydrophobicContact CD2-CD2 3.61Å; F7-F98 AromaticContact CD2-CE2 3.96Å; F7-F98 HydrophobicContact CD2-CE2 3.96Å; F7-F98 HydrophobicContact CD2-CG 4.11Å; F7-F98 HydrophobicContact CE1-CB 3.57Å; F7-F98 HydrophobicContact CE1-CD1 4.13Å; F7-F98 HydrophobicContact CE1-CD2 4.16Å; F7-F98 AromaticContact CE1-CG 3.67Å; F7-F98 HydrophobicContact CE1-CG 3.67Å; F7-F98 HydrophobicContact CE2-CB 4.35Å; F7-F98 AromaticContact CE2-CD2 3.96Å; F7-F98 HydrophobicContact CE2-CD2 3.96Å; F7-F98 HydrophobicContact CE2-CG 4.27Å; F7-F98 HydrophobicContact CG-CB 4.49Å; F7-F98 HydrophobicContact CG-CD1 4.03Å; F7-F98 AromaticContact CG-CD2 3.54Å; F7-F98 HydrophobicContact CG-CD2 3.54Å; F7-F98 HydrophobicContact CG-CE1 4.21Å; F7-F98 AromaticContact CG-CE2 3.73Å; F7-F98 HydrophobicContact CG-CE2 3.73Å; F7-F98 AromaticContact CG-CG 3.72Å; F7-F98 HydrophobicContact CG-CG 3.72Å; F7-F98 HydrophobicContact CG-CZ 4.09Å; F7-F98 HydrophobicContact CZ-CB 3.8Å; F7-F98 HydrophobicContact CZ-CD2 4.23Å; F7-F98 HydrophobicContact CZ-CG 4.07Å; E8-F98 HydrophobicContact CG-CE1 3.93Å; E94-F98 WeakPolarHBondContact O-CB 3.35Å; E94-F98 PolarHBondContact O-N 3.35Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.86Å; F98-A101 PolarHBondContact O-N 2.91Å; F98-K102 HydrophobicContact CE1-CD 4.29Å; F98-K102 WeakPolarHBondContact O-CB 3.42Å; F98-K102 PolarHBondContact O-N 3.29Å; F98-F151 HydrophobicContact CD2-CE2 4.15Å; F98-F151 HydrophobicContact CE2-CD2 4.46Å; F98-F151 AromaticContact CE2-CE2 3.41Å; F98-F151 HydrophobicContact CE2-CE2 3.41Å; F98-F151 VanDerWaalsContact CE2-CE2 3.41Å; F98-F151 AromaticContact CE2-CZ 3.61Å; F98-F151 HydrophobicContact CE2-CZ 3.61Å; F98-F151 AromaticContact CZ-CE2 3.65Å; F98-F151 HydrophobicContact CZ-CE2 3.65Å; F98-F151 AromaticContact CZ-CZ 3.81Å; F98-F151 HydrophobicContact CZ-CZ 3.81Å; F98-I154 HydrophobicContact CB-CG2 3.99Å; F98-I154 HydrophobicContact CD2-CG2 4.17Å; F98-A155 HydrophobicContact CE2-CB 4.21Å
99K95Very high96.3Very high146 Ų14661.5 Ų61.564%0.63531%0.308SS*.Hα-helixtrans-60.7-42.5178.3-176.8178.7179179.20111.9A95 V96 N97 K102 S103A95-K99 WeakPolarHBondContact O-CB 3.18Å; A95-K99 PolarHBondContact O-N 3.03Å; V96-K99 PolarHBondContact O-N 3.32Å; N97-K99 PolarHBondContact O-N 3.37Å; K99-K102 PolarHBondContact O-N 3.39Å; K99-S103 PolarHBondContact O-N 3.1Å
100K96.5Very high96.4Very high127 Ų12761.7 Ų61.755%0.55231%0.314SS*.Hα-helixtrans-63.2-48177.5-176.6-178.1177-174.20111.3V96 N97 F98 K102 S103 Q104V96-K100 WeakPolarHBondContact O-CB 3.49Å; V96-K100 PolarHBondContact O-N 2.92Å; N97-K100 PolarHBondContact O-N 2.92Å; F98-K100 VanDerWaalsContact C-N 3.34Å; F98-K100 PolarHBondContact O-N 2.86Å; K100-K102 VanDerWaalsContact C-N 3.35Å; K100-K102 PolarHBondContact O-N 3.03Å; K100-S103 PolarHBondContact O-N 3.02Å; K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 3.33Å
101A95.6Very high96.4Very high3 Ų365.2 Ų65.23%0.02533%0.333CS..Hα-helixtrans-62.8-41.1178.500000112N97 F98 Q104 L105 F151 I154N97-A101 WeakPolarHBondContact O-CB 3.47Å; N97-A101 PolarHBondContact O-N 3.5Å; F98-A101 PolarHBondContact O-N 2.91Å; A101-Q104 PolarHBondContact O-N 2.91Å; A101-L105 WeakPolarHBondContact O-CB 3.47Å; A101-L105 PolarHBondContact O-N 3.05Å; A101-F151 HydrophobicContact CB-CD2 4.3Å; A101-I154 HydrophobicContact CB-CD1 3.48Å; A101-I154 VanDerWaalsContact CB-CD1 3.48Å
102K95.5Very high96.3Very high51 Ų5164.5 Ų64.522%0.22233%0.329CS..Hα-helixtrans-58.3-50.5173.3-175.6178172.1-176.60111.2E8 F98 K99 K100 Q104 L105 D106 F151E8-K102 IonicContact OE1-NZ 3.97Å; E8-K102 PolarHBondContact OE1-NZ 3.3Å; E8-K102 IonicContact OE2-NZ 2.92Å; E8-K102 PolarHBondContact OE2-NZ 3.03Å; F98-K102 HydrophobicContact CE1-CD 4.29Å; F98-K102 WeakPolarHBondContact O-CB 3.42Å; F98-K102 PolarHBondContact O-N 3.29Å; K99-K102 PolarHBondContact O-N 3.39Å; K100-K102 VanDerWaalsContact C-N 3.35Å; K100-K102 PolarHBondContact O-N 3.03Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.32Å; K102-L105 WeakPolarHBondContact O-CB 3.5Å; K102-L105 PolarHBondContact O-N 3.26Å; K102-D106 VanDerWaalsContact O-CG 3.29Å; K102-D106 PolarHBondContact O-N 2.93Å; K102-F151 HydrophobicContact CB-CD2 4.27Å; K102-F151 HydrophobicContact CB-CE2 3.92Å; K102-F151 HydrophobicContact CG-CE2 4.38Å
103S96.3Very high96.3Very high69 Ų6961.1 Ų61.148%0.48332%0.318SS..Hα-helixtrans-61.5-38.5178.8-179.90000112.8K99 K100 D106 T107K99-S103 PolarHBondContact O-N 3.1Å; K100-S103 PolarHBondContact O-N 3.02Å; S103-D106 PolarHBondContact O-N 3.36Å; S103-T107 PolarHBondContact O-N 3.44Å; S103-T107 PolarHBondContact O-OG1 3.13Å; S103-T107 VanDerWaalsContact O-OG1 3.13Å
104Q97.6Very high96.3Very high57 Ų5758.2 Ų58.227%0.26631%0.312SS..Hα-helixtrans-67.7-38.7176.3-72.5179.7-2.900112.2K100 A101 K102 T107 A108 K147K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 3.33Å; A101-Q104 PolarHBondContact O-N 2.91Å; K102-Q104 VanDerWaalsContact C-N 3.32Å; K102-Q104 PolarHBondContact O-N 3.32Å; Q104-T107 PolarHBondContact O-N 3.14Å; Q104-A108 WeakPolarHBondContact O-CB 2.88Å; Q104-A108 PolarHBondContact O-N 3.4Å; Q104-K147 HydrophobicContact CB-CD 4.25Å
105L96.8Very high96.3Very high19 Ų1956.6 Ų56.610%0.09931%0.306CS..Hα-helixtrans-63.9-44.8174.2179.260.2000111A101 K102 T107 A108 V109 F144 K147 L148 F151A101-L105 WeakPolarHBondContact O-CB 3.47Å; A101-L105 PolarHBondContact O-N 3.05Å; K102-L105 WeakPolarHBondContact O-CB 3.5Å; K102-L105 PolarHBondContact O-N 3.26Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 2.91Å; L105-A108 PolarHBondContact O-N 3.15Å; L105-A108 VanDerWaalsContact O-N 3.15Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.98Å; L105-F144 HydrophobicContact CD1-CD2 3.86Å; L105-F144 HydrophobicContact CD1-CE2 3.66Å; L105-K147 HydrophobicContact CD1-CB 4.27Å; L105-L148 HydrophobicContact CD1-CB 4.04Å; L105-L148 HydrophobicContact CD1-CD1 4.37Å; L105-L148 HydrophobicContact CD2-CD1 4.1Å; L105-F151 HydrophobicContact CD2-CB 3.87Å; L105-F151 HydrophobicContact CD2-CD1 3.81Å; L105-F151 HydrophobicContact CD2-CD2 4.38Å; L105-F151 HydrophobicContact CD2-CG 3.72Å
106D96.2Very high96.2Very high84 Ų8461.2 Ų61.245%0.44932%0.322SS..Hα-helixtrans-60-42.6177.5-67.4-24.4000111.4K102 S103 V109 L110K102-D106 VanDerWaalsContact O-CG 3.29Å; K102-D106 PolarHBondContact O-N 2.93Å; S103-D106 PolarHBondContact O-N 3.36Å; D106-V109 PolarHBondContact O-N 2.93Å; D106-L110 WeakPolarHBondContact O-CG 3.27Å; D106-L110 PolarHBondContact O-N 3.22Å; D106-L110 VanDerWaalsContact O-N 3.16Å
107T97.7Very high96.2Very high73 Ų7359.4 Ų59.445%0.44831%0.313SS..Hα-helixtrans-61.9-45173-59.40000111.9S103 Q104 L105 V109 L110 D111S103-T107 PolarHBondContact O-N 3.44Å; S103-T107 PolarHBondContact O-OG1 3.13Å; S103-T107 VanDerWaalsContact O-OG1 3.13Å; Q104-T107 PolarHBondContact O-N 3.14Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 2.91Å; T107-V109 VanDerWaalsContact C-N 3.28Å; T107-V109 PolarHBondContact O-N 3.35Å; T107-L110 WeakPolarHBondContact O-CB 3.35Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-L110 VanDerWaalsContact O-N 3.12Å; T107-D111 PolarHBondContact O-N 3.41Å
108A97.3Very high96.1Very high4 Ų462 Ų623%0.03332%0.321CS..Hα-helixtrans-64.8-33.1-179.800000112.6Q104 L105 M112 I143 F144 K147Q104-A108 WeakPolarHBondContact O-CB 2.88Å; Q104-A108 PolarHBondContact O-N 3.4Å; L105-A108 PolarHBondContact O-N 3.15Å; L105-A108 VanDerWaalsContact O-N 3.15Å; A108-M112 WeakPolarHBondContact O-CB 3.46Å; A108-M112 PolarHBondContact O-N 3.26Å; A108-I143 HydrophobicContact CB-CG2 4.32Å; A108-F144 HydrophobicContact CB-CB 4.27Å; A108-K147 HydrophobicContact CB-CB 4.28Å; A108-K147 HydrophobicContact CB-CG 4.26Å
109V96.7Very high95.8Very high45 Ų4566.4 Ų66.427%0.27334%0.337SS..Hα-helixtrans-61.3-48.6170.9170.40000110.5L105 D106 T107 D111 M112 D113 F144L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 2.98Å; D106-V109 PolarHBondContact O-N 2.93Å; T107-V109 VanDerWaalsContact C-N 3.28Å; T107-V109 PolarHBondContact O-N 3.35Å; V109-D111 VanDerWaalsContact C-N 3.34Å; V109-D111 PolarHBondContact O-N 3.45Å; V109-M112 PolarHBondContact O-N 3.22Å; V109-D113 WeakPolarHBondContact O-CB 3.44Å; V109-D113 PolarHBondContact O-N 2.87Å; V109-F144 HydrophobicContact CG2-CD2 3.7Å; V109-F144 HydrophobicContact CG2-CE2 3.44Å; V109-F144 VanDerWaalsContact CG2-CE2 3.44Å
110L97.2Very high95.6Very high123 Ų12363.7 Ų63.764%0.64434%0.342SS*.Hα-helixtrans-61.8-40.4179.3-68.4172.9000112.4D106 T107 G114D106-L110 WeakPolarHBondContact O-CG 3.27Å; D106-L110 PolarHBondContact O-N 3.22Å; D106-L110 VanDerWaalsContact O-N 3.16Å; T107-L110 WeakPolarHBondContact O-CB 3.35Å; T107-L110 PolarHBondContact O-N 2.96Å; T107-L110 VanDerWaalsContact O-N 3.12Å; L110-G114 PolarHBondContact O-N 2.97Å
111D97.1Very high95.4Very high89 Ų8965.8 Ų65.848%0.47635%0.346SS..Hα-helixtrans-66.2-45177.7-73.3-26.2000111.7T107 V109 G114 S115 T140T107-D111 PolarHBondContact O-N 3.41Å; V109-D111 VanDerWaalsContact C-N 3.34Å; V109-D111 PolarHBondContact O-N 3.45Å; D111-G114 PolarHBondContact O-N 3.22Å; D111-S115 PolarHBondContact O-N 3.44Å; D111-S115 PolarHBondContact O-OG 3.31Å; D111-T140 HydrophobicContact CB-CG2 4.28Å
112M96.5Very high95.1Very high13 Ų1368 Ų686%0.06436%0.361CS..Hα-helixtrans-60.8-48.4175.8-179.2-167.261.600111.3A108 V109 G114 S115 R116 F144A108-M112 WeakPolarHBondContact O-CB 3.46Å; A108-M112 PolarHBondContact O-N 3.26Å; V109-M112 PolarHBondContact O-N 3.22Å; M112-G114 VanDerWaalsContact C-N 3.31Å; M112-G114 PolarHBondContact O-N 3.05Å; M112-S115 PolarHBondContact O-N 3.43Å; M112-R116 WeakPolarHBondContact O-CB 3.48Å; M112-R116 WeakPolarHBondContact O-CG 3.48Å; M112-R116 PolarHBondContact O-N 2.98Å; M112-R116 VanDerWaalsContact SD-CZ 3.59Å; M112-F144 HydrophobicContact CB-CB 4.45Å; M112-F144 HydrophobicContact CE-CG 4.47Å; M112-F144 HydrophobicContact SD-CB 4.29Å; M112-F144 HydrophobicContact SD-CD1 3.89Å; M112-F144 HydrophobicContact SD-CE1 4.47Å; M112-F144 HydrophobicContact SD-CG 4.04Å
113D96Very high94.8Very high77 Ų7772.3 Ų72.341%0.41239%0.392SS..Hα-helixtrans-64.3-38.6178.3-74.3-15.9000111.4V109 R116 S117V109-D113 WeakPolarHBondContact O-CB 3.44Å; V109-D113 PolarHBondContact O-N 2.87Å; D113-R116 PolarHBondContact O-N 3.21Å; D113-S117 WeakPolarHBondContact O-CB 3.18Å; D113-S117 PolarHBondContact O-N 3.32Å
114G96.3Very high94.4Very high27 Ų2771.4 Ų71.428%0.27839%0.385SS..Hα-helixtrans-59.7-46.7173.700000112.7L110 D111 M112 S117 K118L110-G114 PolarHBondContact O-N 2.97Å; D111-G114 PolarHBondContact O-N 3.22Å; M112-G114 VanDerWaalsContact C-N 3.31Å; M112-G114 PolarHBondContact O-N 3.05Å; G114-S117 PolarHBondContact O-N 2.87Å; G114-K118 VanDerWaalsContact O-CG 3.31Å; G114-K118 WeakPolarHBondContact O-CG 3.4Å; G114-K118 PolarHBondContact O-N 3.46Å
115S94.9Very high93.9Very high16 Ų1674.9 Ų74.911%0.11241%0.413CS..Hα-helixtrans-65.5-46.3177.1-71.70000112.3D111 M112 S117 K118 R119 T140D111-S115 PolarHBondContact O-N 3.44Å; D111-S115 PolarHBondContact O-OG 3.31Å; M112-S115 PolarHBondContact O-N 3.43Å; S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact O-N 3.49Å; S115-K118 PolarHBondContact O-N 3.27Å; S115-R119 PolarHBondContact O-N 3.46Å; S115-T140 WeakPolarHBondContact CB-OG1 3.16Å; S115-T140 WeakPolarHBondContact OG-CG2 3.16Å; S115-T140 PolarHBondContact OG-OG1 3.28Å
116R94.5Very high93.7Very high103 Ų10377.4 Ų77.439%0.38943%0.426SS..Hα-helixtrans-56-45.9174.1-77.3176.5172.5172.43.7111.7M112 D113 R119 A120 E137M112-R116 WeakPolarHBondContact O-CB 3.48Å; M112-R116 WeakPolarHBondContact O-CG 3.48Å; M112-R116 PolarHBondContact O-N 2.98Å; M112-R116 VanDerWaalsContact SD-CZ 3.59Å; D113-R116 PolarHBondContact O-N 3.21Å; R116-R119 PolarHBondContact O-N 3.3Å; R116-A120 WeakPolarHBondContact O-CB 3.13Å; R116-A120 PolarHBondContact O-N 3.44Å; R116-E137 HydrophobicContact CG-CG 3.94Å; R116-E137 WeakPolarHBondContact CG-OE1 3.37Å; R116-E137 IonicContact NE-OE1 2.69Å
117S94.6Very high93.4Very high40 Ų4078.2 Ų78.228%0.2844%0.436SS..Hα-helixtrans-67.6-38.7-178.9-161.80000112.5D113 G114 S115 A120 R121D113-S117 WeakPolarHBondContact O-CB 3.18Å; D113-S117 PolarHBondContact O-N 3.32Å; G114-S117 PolarHBondContact O-N 2.87Å; S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact O-N 3.49Å; S117-A120 PolarHBondContact O-N 3.15Å; S117-R121 WeakPolarHBondContact O-CB 3.31Å; S117-R121 WeakPolarHBondContact O-CG 3.48Å; S117-R121 PolarHBondContact O-N 2.93Å; S117-R121 VanDerWaalsContact O-N 3.07Å; S117-R121 PolarHBondContact O-NE 2.78Å; S117-R121 PolarHBondContact OG-NH1 2.88Å; S117-R121 PolarHBondContact OG-NH2 2.97Å; S117-R121 VanDerWaalsContact OG-NH2 3.1Å
118K94.2Very high93.1Very high132 Ų13278.2 Ų78.257%0.57444%0.439SS*.Hα-helixtrans-62.3-44173-76.2171.3-175.9171.30111.8G114 S115 S122 L133G114-K118 VanDerWaalsContact O-CG 3.31Å; G114-K118 WeakPolarHBondContact O-CG 3.4Å; G114-K118 PolarHBondContact O-N 3.46Å; S115-K118 PolarHBondContact O-N 3.27Å; K118-S122 PolarHBondContact O-N 3.29Å; K118-S122 VanDerWaalsContact O-N 3.16Å; K118-L133 HydrophobicContact CB-CD2 4.36Å
119R89.4Confident92.9Very high97 Ų9780.6 Ų80.637%0.36645%0.453SS..Hα-helixtrans-63.1-48.9176-172.7-173.6176.7-166.6-0.2111.5S115 R116 R121 S122 L133 E134 E137S115-R119 PolarHBondContact O-N 3.46Å; R116-R119 PolarHBondContact O-N 3.3Å; R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 3.46Å; R119-S122 WeakPolarHBondContact O-CB 3.43Å; R119-S122 PolarHBondContact O-N 3.2Å; R119-S122 VanDerWaalsContact O-N 3.15Å; R119-L133 HydrophobicContact CB-CB 4.34Å; R119-L133 HydrophobicContact CG-CB 4.32Å; R119-E134 IonicContact CZ-OE1 3.56Å; R119-E134 VanDerWaalsContact NE-CG 3.33Å; R119-E134 IonicContact NE-OE1 3.66Å; R119-E134 VanDerWaalsContact NH2-CD 3.3Å; R119-E134 VanDerWaalsContact NH2-CG 3.31Å; R119-E134 IonicContact NH2-OE1 2.76Å; R119-E134 PolarHBondContact NH2-OE1 3.06Å; R119-E137 WeakPolarHBondContact CD-OE2 3.22Å; R119-E137 IonicContact CZ-OE2 3.63Å; R119-E137 IonicContact NE-OE2 3.65Å; R119-E137 IonicContact NH1-OE1 3.03Å; R119-E137 IonicContact NH1-OE2 3.98Å; R119-E137 PolarHBondContact NH1-OE2 3.39Å
120A90.4Very high92.6Very high89 Ų8984.4 Ų84.474%0.73647%0.466SS*.Hα-helixtrans-62.4-31.3-178.200000113.5R116 S117R116-A120 WeakPolarHBondContact O-CB 3.13Å; R116-A120 PolarHBondContact O-N 3.44Å; S117-A120 PolarHBondContact O-N 3.15Å
121R91.9Very high92.3Very high171 Ų17181.2 Ų81.265%0.64546%0.458SS*.Hα-helixtrans-90.9-5.9178.2-67.6-173.8-62.8-123.5-6.7114.2S117 R119 V123S117-R121 WeakPolarHBondContact O-CB 3.31Å; S117-R121 WeakPolarHBondContact O-CG 3.48Å; S117-R121 PolarHBondContact O-N 2.93Å; S117-R121 VanDerWaalsContact O-N 3.07Å; S117-R121 PolarHBondContact O-NE 2.78Å; S117-R121 PolarHBondContact OG-NH1 2.88Å; S117-R121 PolarHBondContact OG-NH2 2.97Å; S117-R121 VanDerWaalsContact OG-NH2 3.1Å; R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 3.46Å; R121-V123 PolarHBondContact O-N 3.36Å
122S89.6Confident92.2Very high48 Ų4880.2 Ų80.234%0.33645%0.45SS..  trans-72.9121.4-178.6-174.30000110.4K118 R119 L133K118-S122 PolarHBondContact O-N 3.29Å; K118-S122 VanDerWaalsContact O-N 3.16Å; R119-S122 WeakPolarHBondContact O-CB 3.43Å; R119-S122 PolarHBondContact O-N 3.2Å; R119-S122 VanDerWaalsContact O-N 3.15Å; S122-L133 VanDerWaalsContact CB-CD1 3.43Å; S122-L133 WeakPolarHBondContact OG-CD1 3.44Å
123V90.2Very high92.1Very high142 Ų14281.1 Ų81.186%0.86146%0.455SS*.  trans-10412.1173.7-63.90000112.1R121R121-V123 PolarHBondContact O-N 3.36Å
124S88.2Confident91.9Very high50 Ų5080.9 Ų80.935%0.3545%0.451SS..  trans-63.9128.4-177-174.50000110.8D126S124-D126 PolarHBondContact O-N 3.01Å; S124-D126 PolarHBondContact OG-N 3.39Å
125P86.7Confident91.9Very high130 Ų13085.5 Ų85.584%0.84446%0.461SS*.  trans-76.7-13.1173.832.1-34.6000112.6P127P125-P127 WeakPolarHBondContact O-CD 3.45Å
126D92.3Very high91.9Very high72 Ų7289.2 Ų89.239%0.38547%0.474SS..  trans-73.1117.2-177-172.8-21.8000111.3S124 S128 V129 K130S124-D126 PolarHBondContact O-N 3.01Å; S124-D126 PolarHBondContact OG-N 3.39Å; D126-S128 PolarHBondContact O-N 3.45Å; D126-S128 WeakPolarHBondContact OD1-CB 3.29Å; D126-S128 PolarHBondContact OD1-N 2.91Å; D126-S128 PolarHBondContact OD1-OG 3.08Å; D126-S128 PolarHBondContact OD2-OG 3.44Å; D126-V129 HydrophobicContact CB-CB 4.26Å; D126-V129 HydrophobicContact CB-CG2 3.86Å; D126-V129 PolarHBondContact O-N 2.79Å; D126-K130 PolarHBondContact O-N 3.26Å
127P90Very high91.9Very high102 Ų10286 Ų8666%0.66246%0.464SS*.Hα-helixtrans-58.6-31.7178.2-23.634.4000113.8P125 K130 A131P125-P127 WeakPolarHBondContact O-CD 3.45Å; P127-K130 PolarHBondContact O-N 2.92Å; P127-A131 WeakPolarHBondContact O-CB 3.42Å; P127-A131 PolarHBondContact O-N 3.2Å
128S92.3Very high92Very high72 Ų7288.2 Ų88.250%0.50347%0.47SS..Hα-helixtrans-67.5-39.1180710000111.7D126 K130 A131 E132D126-S128 PolarHBondContact O-N 3.45Å; D126-S128 WeakPolarHBondContact OD1-CB 3.29Å; D126-S128 PolarHBondContact OD1-N 2.91Å; D126-S128 PolarHBondContact OD1-OG 3.08Å; D126-S128 PolarHBondContact OD2-OG 3.44Å; S128-K130 VanDerWaalsContact C-N 3.35Å; S128-A131 PolarHBondContact O-N 3.49Å; S128-E132 WeakPolarHBondContact O-CB 3.42Å; S128-E132 PolarHBondContact O-N 3.22Å
129V91.9Very high92.1Very high55 Ų5585.6 Ų85.633%0.33346%0.46SS..Hα-helixtrans-65-41.1175.3176.30000110.6D126 E132 L133D126-V129 HydrophobicContact CB-CB 4.26Å; D126-V129 HydrophobicContact CB-CG2 3.86Å; D126-V129 PolarHBondContact O-N 2.79Å; V129-E132 PolarHBondContact O-N 3.33Å; V129-L133 HydrophobicContact CG1-CD1 4.17Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 2.9Å
130K90.3Very high92.5Very high125 Ų12582 Ų8254%0.54345%0.448SS..Hα-helixtrans-63.6-46.1176.9-171.8-179.4177.1-175.70111.7D126 P127 S128 E132 L133 E134D126-K130 PolarHBondContact O-N 3.26Å; P127-K130 PolarHBondContact O-N 2.92Å; S128-K130 VanDerWaalsContact C-N 3.35Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.44Å; K130-L133 PolarHBondContact O-N 3.37Å; K130-E134 WeakPolarHBondContact CE-OE1 3.26Å; K130-E134 WeakPolarHBondContact O-CG 3.34Å; K130-E134 PolarHBondContact O-N 2.91Å
131A92Very high92.8Very high56 Ų5681 Ų8146%0.46343%0.428SS..Hα-helixtrans-61.2-40.4177.700000112.1P127 S128 E134 R135P127-A131 WeakPolarHBondContact O-CB 3.42Å; P127-A131 PolarHBondContact O-N 3.2Å; S128-A131 PolarHBondContact O-N 3.49Å; A131-E134 PolarHBondContact O-N 2.88Å; A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 PolarHBondContact O-N 2.88Å
132E94.2Very high93.1Very high67 Ų6777.9 Ų77.931%0.31342%0.42SS..Hα-helixtrans-67.2-39177.417861.6-175.800112.8S128 V129 K130 R135 K136S128-E132 WeakPolarHBondContact O-CB 3.42Å; S128-E132 PolarHBondContact O-N 3.22Å; V129-E132 PolarHBondContact O-N 3.33Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.44Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 IonicContact OE1-CZ 2.67Å; E132-R135 IonicContact OE1-NE 3.98Å; E132-R135 IonicContact OE1-NH2 2.68Å; E132-R135 PolarHBondContact OE1-NH2 2.92Å; E132-R135 IonicContact OE2-CZ 3.58Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.79Å; E132-R135 PolarHBondContact OE2-NE 3Å; E132-R135 IonicContact OE2-NH2 3.96Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.38Å; E132-K136 WeakPolarHBondContact OE1-CE 3.36Å; E132-K136 IonicContact OE1-NZ 2.72Å
133L93.9Very high93.5Very high33 Ų3380.1 Ų80.117%0.17343%0.428CS..Hα-helixtrans-66.8-37.8174.9-69.7172.1000112K118 R119 S122 V129 K130 K136 E137K118-L133 HydrophobicContact CB-CD2 4.36Å; R119-L133 HydrophobicContact CB-CB 4.34Å; R119-L133 HydrophobicContact CG-CB 4.32Å; S122-L133 VanDerWaalsContact CB-CD1 3.43Å; S122-L133 WeakPolarHBondContact OG-CD1 3.44Å; V129-L133 HydrophobicContact CG1-CD1 4.17Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 2.9Å; K130-L133 PolarHBondContact O-N 3.37Å; L133-K136 PolarHBondContact O-N 3.46Å; L133-E137 PolarHBondContact O-N 3.14Å
134E93.2Very high93.8Very high71 Ų7175.4 Ų75.433%0.33240%0.395SS..Hα-helixtrans-62.6-45.9173.4-79.9176-178.500111.9R119 K130 A131 K136 E137 Q138R119-E134 IonicContact CZ-OE1 3.56Å; R119-E134 VanDerWaalsContact NE-CG 3.33Å; R119-E134 IonicContact NE-OE1 3.66Å; R119-E134 VanDerWaalsContact NH2-CD 3.3Å; R119-E134 VanDerWaalsContact NH2-CG 3.31Å; R119-E134 IonicContact NH2-OE1 2.76Å; R119-E134 PolarHBondContact NH2-OE1 3.06Å; K130-E134 WeakPolarHBondContact CE-OE1 3.26Å; K130-E134 WeakPolarHBondContact O-CG 3.34Å; K130-E134 PolarHBondContact O-N 2.91Å; A131-E134 PolarHBondContact O-N 2.88Å; E134-K136 PolarHBondContact O-N 2.95Å; E134-E137 PolarHBondContact O-N 3.11Å; E134-Q138 PolarHBondContact O-N 3.32Å
135R95.2Very high94.3Very high125 Ų12577.2 Ų77.247%0.47240%0.398SS..Hα-helixtrans-58.2-48.9175.1-172.7-17970.3102.3-5.9111.5A131 E132 E137 Q138 E139A131-R135 WeakPolarHBondContact O-CB 3.44Å; A131-R135 PolarHBondContact O-N 2.88Å; E132-R135 PolarHBondContact O-N 3.33Å; E132-R135 IonicContact OE1-CZ 2.67Å; E132-R135 IonicContact OE1-NE 3.98Å; E132-R135 IonicContact OE1-NH2 2.68Å; E132-R135 PolarHBondContact OE1-NH2 2.92Å; E132-R135 IonicContact OE2-CZ 3.58Å; E132-R135 VanDerWaalsContact OE2-CZ 3.29Å; E132-R135 IonicContact OE2-NE 2.79Å; E132-R135 PolarHBondContact OE2-NE 3Å; E132-R135 IonicContact OE2-NH2 3.96Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; R135-E137 PolarHBondContact O-N 2.92Å; R135-Q138 PolarHBondContact O-N 3.47Å; R135-E139 WeakPolarHBondContact CG-OE1 3.46Å; R135-E139 IonicContact CZ-OE1 3.85Å; R135-E139 IonicContact NE-OE1 3.95Å; R135-E139 IonicContact NH1-OE1 3.76Å; R135-E139 PolarHBondContact NH1-OE1 3.46Å; R135-E139 IonicContact NH1-OE2 3.59Å; R135-E139 WeakPolarHBondContact O-CG 3.31Å; R135-E139 PolarHBondContact O-N 3.34Å
136K95.1Very high94.8Very high93 Ų9374 Ų7440%0.40438%0.383SS..Hα-helixtrans-62.5-40.4178.4-75.9-176.7-179.51710113.3E132 L133 E134 Q138 E139 T140E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 3.38Å; E132-K136 WeakPolarHBondContact OE1-CE 3.36Å; E132-K136 IonicContact OE1-NZ 2.72Å; L133-K136 PolarHBondContact O-N 3.46Å; E134-K136 PolarHBondContact O-N 2.95Å; K136-Q138 VanDerWaalsContact C-N 3.33Å; K136-E139 PolarHBondContact O-N 3.23Å; K136-T140 WeakPolarHBondContact O-CG2 3.37Å; K136-T140 PolarHBondContact O-N 3.04Å; K136-T140 PolarHBondContact O-OG1 3.44Å
137E94.8Very high95.1Very high36 Ų3673.2 Ų73.217%0.16838%0.376CS..Hα-helixtrans-59.9-47.5175.2-174.2-174.3164.900110.6R116 R119 L133 E134 R135 T140 K141R116-E137 HydrophobicContact CG-CG 3.94Å; R116-E137 WeakPolarHBondContact CG-OE1 3.37Å; R116-E137 IonicContact NE-OE1 2.69Å; R119-E137 WeakPolarHBondContact CD-OE2 3.22Å; R119-E137 IonicContact CZ-OE2 3.63Å; R119-E137 IonicContact NE-OE2 3.65Å; R119-E137 IonicContact NH1-OE1 3.03Å; R119-E137 IonicContact NH1-OE2 3.98Å; R119-E137 PolarHBondContact NH1-OE2 3.39Å; L133-E137 PolarHBondContact O-N 3.14Å; E134-E137 PolarHBondContact O-N 3.11Å; R135-E137 PolarHBondContact O-N 2.92Å; E137-T140 PolarHBondContact O-N 2.94Å; E137-T140 PolarHBondContact O-OG1 3.39Å; E137-K141 WeakPolarHBondContact O-CB 3.35Å; E137-K141 PolarHBondContact O-N 3.13Å
138Q95.9Very high95.4Very high87 Ų8770.6 Ų70.641%0.40736%0.356SS..Hα-helixtrans-61.9-44.9178.7-175.757.131.200111.9E134 R135 K136 T140 K141 E142E134-Q138 PolarHBondContact O-N 3.32Å; R135-Q138 PolarHBondContact O-N 3.47Å; K136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-T140 PolarHBondContact O-N 3.46Å; Q138-K141 WeakPolarHBondContact O-CB 3.4Å; Q138-K141 PolarHBondContact O-N 3.49Å; Q138-E142 PolarHBondContact NE2-OE1 3.05Å; Q138-E142 WeakPolarHBondContact O-CG 3.11Å; Q138-E142 PolarHBondContact O-N 3.21Å
139E96.9Very high95.5Very high76 Ų7671.9 Ų71.936%0.35535%0.354SS..Hα-helixtrans-58-48.8175.5-73.4171.1-177.200111.9R135 K136 K141 E142 I143R135-E139 WeakPolarHBondContact CG-OE1 3.46Å; R135-E139 IonicContact CZ-OE1 3.85Å; R135-E139 IonicContact NE-OE1 3.95Å; R135-E139 IonicContact NH1-OE1 3.76Å; R135-E139 PolarHBondContact NH1-OE1 3.46Å; R135-E139 IonicContact NH1-OE2 3.59Å; R135-E139 WeakPolarHBondContact O-CG 3.31Å; R135-E139 PolarHBondContact O-N 3.34Å; K136-E139 PolarHBondContact O-N 3.23Å; E139-K141 VanDerWaalsContact C-N 3.3Å; E139-K141 PolarHBondContact O-N 2.87Å; E139-E142 PolarHBondContact O-N 2.7Å; E139-I143 WeakPolarHBondContact O-CG1 3.47Å; E139-I143 PolarHBondContact O-N 2.88Å; E139-I143 VanDerWaalsContact O-N 3.09Å
140T97.4Very high95.7Very high21 Ų2173.2 Ų73.213%0.12936%0.357CS..Hα-helixtrans-66.6-31.7178.853.90000113.1D111 S115 K136 E137 Q138 F144D111-T140 HydrophobicContact CB-CG2 4.28Å; S115-T140 WeakPolarHBondContact CB-OG1 3.16Å; S115-T140 WeakPolarHBondContact OG-CG2 3.16Å; S115-T140 PolarHBondContact OG-OG1 3.28Å; K136-T140 WeakPolarHBondContact O-CG2 3.37Å; K136-T140 PolarHBondContact O-N 3.04Å; K136-T140 PolarHBondContact O-OG1 3.44Å; E137-T140 PolarHBondContact O-N 2.94Å; E137-T140 PolarHBondContact O-OG1 3.39Å; Q138-T140 PolarHBondContact O-N 3.46Å; T140-F144 WeakPolarHBondContact O-CB 3.45Å; T140-F144 PolarHBondContact O-N 3.48Å
141K97.1Very high95.9Very high70 Ų7067.9 Ų67.930%0.30433%0.334SS..Hα-helixtrans-66.4-44.9174.5-179.4-175.5168.8-170.20111.5E137 Q138 E139 I143 F144 E145E137-K141 WeakPolarHBondContact O-CB 3.35Å; E137-K141 PolarHBondContact O-N 3.13Å; Q138-K141 WeakPolarHBondContact O-CB 3.4Å; Q138-K141 PolarHBondContact O-N 3.49Å; E139-K141 VanDerWaalsContact C-N 3.3Å; E139-K141 PolarHBondContact O-N 2.87Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.48Å; K141-F144 WeakPolarHBondContact O-CB 3.5Å; K141-F144 PolarHBondContact O-N 3Å; K141-E145 WeakPolarHBondContact CE-OE1 3.41Å; K141-E145 IonicContact NZ-OE1 3.29Å; K141-E145 WeakPolarHBondContact O-CG 3.26Å; K141-E145 PolarHBondContact O-N 2.97Å
142E97.8Very high96Very high105 Ų10569.5 Ų69.549%0.49133%0.33SS..Hα-helixtrans-62.2-40.6177.1-73.2170.2-168.500111.7Q138 E139 E145 A146Q138-E142 PolarHBondContact NE2-OE1 3.05Å; Q138-E142 WeakPolarHBondContact O-CG 3.11Å; Q138-E142 PolarHBondContact O-N 3.21Å; E139-E142 PolarHBondContact O-N 2.7Å; E142-E145 PolarHBondContact O-N 3.22Å; E142-A146 WeakPolarHBondContact O-CB 3.46Å; E142-A146 PolarHBondContact O-N 3.39Å
143I97.8Very high96.1Very high95 Ų9570.2 Ų70.249%0.48734%0.339SS..Hα-helixtrans-61.6-46.6173.8-67.4167.2000110.9A108 E139 K141 E145 A146 K147A108-I143 HydrophobicContact CB-CG2 4.32Å; E139-I143 WeakPolarHBondContact O-CG1 3.47Å; E139-I143 PolarHBondContact O-N 2.88Å; E139-I143 VanDerWaalsContact O-N 3.09Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 3.48Å; I143-E145 PolarHBondContact O-N 3.37Å; I143-A146 PolarHBondContact O-N 2.98Å; I143-K147 HydrophobicContact CG2-CG 4.49Å; I143-K147 WeakPolarHBondContact O-CG 3.45Å; I143-K147 PolarHBondContact O-N 2.82Å
144F97.7Very high96.1Very high42 Ų4269.8 Ų69.818%0.18434%0.337CS..Hα-helixtrans-58.5-47.4176.5164.1-99.6000111.9L105 A108 V109 M112 T140 K141 A146 K147 L148L105-F144 HydrophobicContact CD1-CD2 3.86Å; L105-F144 HydrophobicContact CD1-CE2 3.66Å; A108-F144 HydrophobicContact CB-CB 4.27Å; V109-F144 HydrophobicContact CG2-CD2 3.7Å; V109-F144 HydrophobicContact CG2-CE2 3.44Å; V109-F144 VanDerWaalsContact CG2-CE2 3.44Å; M112-F144 HydrophobicContact CB-CB 4.45Å; M112-F144 HydrophobicContact CE-CG 4.47Å; M112-F144 HydrophobicContact SD-CB 4.29Å; M112-F144 HydrophobicContact SD-CD1 3.89Å; M112-F144 HydrophobicContact SD-CE1 4.47Å; M112-F144 HydrophobicContact SD-CG 4.04Å; T140-F144 WeakPolarHBondContact O-CB 3.45Å; T140-F144 PolarHBondContact O-N 3.48Å; K141-F144 WeakPolarHBondContact O-CB 3.5Å; K141-F144 PolarHBondContact O-N 3Å; F144-A146 PolarHBondContact O-N 3.43Å; F144-K147 PolarHBondContact O-N 3.45Å; F144-L148 HydrophobicContact CE1-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CB 4.5Å; F144-L148 HydrophobicContact CZ-CD2 4.06Å; F144-L148 WeakPolarHBondContact O-CB 3.38Å; F144-L148 PolarHBondContact O-N 3.34Å
145E97.6Very high96Very high88 Ų8866.5 Ų66.541%0.41132%0.322SS..Hα-helixtrans-61-43.9179.1-73.3174178.600111.4K141 E142 I143 K147 L148 E149K141-E145 WeakPolarHBondContact CE-OE1 3.41Å; K141-E145 IonicContact NZ-OE1 3.29Å; K141-E145 WeakPolarHBondContact O-CG 3.26Å; K141-E145 PolarHBondContact O-N 2.97Å; E142-E145 PolarHBondContact O-N 3.22Å; I143-E145 PolarHBondContact O-N 3.37Å; E145-K147 PolarHBondContact O-N 3.48Å; E145-L148 PolarHBondContact O-N 3.2Å; E145-E149 PolarHBondContact O-N 2.69Å; E145-E149 VanDerWaalsContact O-N 3.09Å
146A97.7Very high95.9Very high63 Ų6364.4 Ų64.452%0.52133%0.326SS..Hα-helixtrans-60.5-44175.400000112.3E142 I143 F144 E149 E150E142-A146 WeakPolarHBondContact O-CB 3.46Å; E142-A146 PolarHBondContact O-N 3.39Å; I143-A146 PolarHBondContact O-N 2.98Å; F144-A146 PolarHBondContact O-N 3.43Å; A146-E149 PolarHBondContact O-N 3.28Å; A146-E150 PolarHBondContact O-N 2.67Å; A146-E150 VanDerWaalsContact O-N 3.09Å
147K97.4Very high95.8Very high56 Ų5662.8 Ų62.824%0.24332%0.32CS..Hα-helixtrans-69.8-31.3177.6-67.7-55.9179.1-1780113.5Q104 L105 A108 I143 F144 E145 E150 F151Q104-K147 HydrophobicContact CB-CD 4.25Å; L105-K147 HydrophobicContact CD1-CB 4.27Å; A108-K147 HydrophobicContact CB-CB 4.28Å; A108-K147 HydrophobicContact CB-CG 4.26Å; I143-K147 HydrophobicContact CG2-CG 4.49Å; I143-K147 WeakPolarHBondContact O-CG 3.45Å; I143-K147 PolarHBondContact O-N 2.82Å; F144-K147 PolarHBondContact O-N 3.45Å; E145-K147 PolarHBondContact O-N 3.48Å; K147-E150 WeakPolarHBondContact CD-OE2 3.44Å; K147-E150 IonicContact NZ-OE2 2.73Å; K147-E150 PolarHBondContact NZ-OE2 3.33Å; K147-F151 VanDerWaalsContact O-CB 3.32Å; K147-F151 WeakPolarHBondContact O-CB 3.14Å; K147-F151 PolarHBondContact O-N 3.44Å
148L96.4Very high95.8Very high47 Ų4761.4 Ų61.425%0.24631%0.314CS..Hα-helixtrans-65.1-43174.4179.261.8000111.1L105 F144 E145 F151 K152L105-L148 HydrophobicContact CD1-CB 4.04Å; L105-L148 HydrophobicContact CD1-CD1 4.37Å; L105-L148 HydrophobicContact CD2-CD1 4.1Å; F144-L148 HydrophobicContact CE1-CD2 4.19Å; F144-L148 HydrophobicContact CZ-CB 4.5Å; F144-L148 HydrophobicContact CZ-CD2 4.06Å; F144-L148 WeakPolarHBondContact O-CB 3.38Å; F144-L148 PolarHBondContact O-N 3.34Å; E145-L148 PolarHBondContact O-N 3.2Å; L148-F151 PolarHBondContact O-N 3.42Å; L148-K152 HydrophobicContact CD1-CG 4.48Å; L148-K152 HydrophobicContact CG-CD 4.35Å; L148-K152 WeakPolarHBondContact O-CB 3.26Å; L148-K152 VanDerWaalsContact O-CG 3.29Å; L148-K152 WeakPolarHBondContact O-CG 3.37Å; L148-K152 PolarHBondContact O-N 2.76Å
149E95.9Very high95.7Very high99 Ų9961.3 Ų61.346%0.46332%0.321SS..Hα-helixtrans-69.7-38.9178-67.4-51.1125.600112.7E145 A146 K152 T153E145-E149 PolarHBondContact O-N 2.69Å; E145-E149 VanDerWaalsContact O-N 3.09Å; A146-E149 PolarHBondContact O-N 3.28Å; E149-K152 PolarHBondContact O-N 3.18Å; E149-K152 WeakPolarHBondContact OE1-CD 3.44Å; E149-K152 IonicContact OE1-NZ 3.45Å; E149-K152 PolarHBondContact OE1-NZ 3.21Å; E149-T153 WeakPolarHBondContact O-CB 3.47Å; E149-T153 PolarHBondContact O-N 3.34Å; E149-T153 PolarHBondContact O-OG1 2.98Å
150E95.1Very high95.6Very high82 Ų8264.1 Ų64.138%0.38333%0.332SS..Hα-helixtrans-58.2-48.8171.2-174.2179.2174.600110.9A146 K147 K152 T153 I154A146-E150 PolarHBondContact O-N 2.67Å; A146-E150 VanDerWaalsContact O-N 3.09Å; K147-E150 WeakPolarHBondContact CD-OE2 3.44Å; K147-E150 IonicContact NZ-OE2 2.73Å; K147-E150 PolarHBondContact NZ-OE2 3.33Å; E150-K152 PolarHBondContact O-N 3.03Å; E150-T153 PolarHBondContact O-N 2.97Å; E150-I154 HydrophobicContact CG-CD1 4.44Å; E150-I154 PolarHBondContact O-N 2.94Å; E150-I154 VanDerWaalsContact O-N 3.16Å
151F95.6Very high95.5Very high13 Ų1363.9 Ų63.96%0.05733%0.33CS..Hα-helixtrans-60.9-46.2177.6175.8-96.3000112.5C4 F98 A101 K102 L105 K147 L148 T153 I154 A155C4-F151 HydrophobicContact CB-CZ 4.41Å; C4-F151 WeakPolarHBondContact SG-CZ 3.37Å; F98-F151 HydrophobicContact CD2-CE2 4.15Å; F98-F151 HydrophobicContact CE2-CD2 4.46Å; F98-F151 AromaticContact CE2-CE2 3.41Å; F98-F151 HydrophobicContact CE2-CE2 3.41Å; F98-F151 VanDerWaalsContact CE2-CE2 3.41Å; F98-F151 AromaticContact CE2-CZ 3.61Å; F98-F151 HydrophobicContact CE2-CZ 3.61Å; F98-F151 AromaticContact CZ-CE2 3.65Å; F98-F151 HydrophobicContact CZ-CE2 3.65Å; F98-F151 AromaticContact CZ-CZ 3.81Å; F98-F151 HydrophobicContact CZ-CZ 3.81Å; A101-F151 HydrophobicContact CB-CD2 4.3Å; K102-F151 HydrophobicContact CB-CD2 4.27Å; K102-F151 HydrophobicContact CB-CE2 3.92Å; K102-F151 HydrophobicContact CG-CE2 4.38Å; L105-F151 HydrophobicContact CD2-CB 3.87Å; L105-F151 HydrophobicContact CD2-CD1 3.81Å; L105-F151 HydrophobicContact CD2-CD2 4.38Å; L105-F151 HydrophobicContact CD2-CG 3.72Å; K147-F151 VanDerWaalsContact O-CB 3.32Å; K147-F151 WeakPolarHBondContact O-CB 3.14Å; K147-F151 PolarHBondContact O-N 3.44Å; L148-F151 PolarHBondContact O-N 3.42Å; F151-T153 VanDerWaalsContact C-N 3.29Å; F151-T153 PolarHBondContact O-N 2.89Å; F151-I154 PolarHBondContact O-N 3.39Å; F151-A155 HydrophobicContact CE1-CB 4.18Å; F151-A155 HydrophobicContact CZ-CB 4.25Å; F151-A155 WeakPolarHBondContact O-CB 3.44Å; F151-A155 PolarHBondContact O-N 3.22Å
152K94Very high95.5Very high90 Ų9065 Ų6539%0.39134%0.336SS..Hα-helixtrans-60.4-40177.4-77.7173-176.6168.50111.8L148 E149 E150 I154 A155 S156L148-K152 HydrophobicContact CD1-CG 4.48Å; L148-K152 HydrophobicContact CG-CD 4.35Å; L148-K152 WeakPolarHBondContact O-CB 3.26Å; L148-K152 VanDerWaalsContact O-CG 3.29Å; L148-K152 WeakPolarHBondContact O-CG 3.37Å; L148-K152 PolarHBondContact O-N 2.76Å; E149-K152 PolarHBondContact O-N 3.18Å; E149-K152 WeakPolarHBondContact OE1-CD 3.44Å; E149-K152 IonicContact OE1-NZ 3.45Å; E149-K152 PolarHBondContact OE1-NZ 3.21Å; E150-K152 PolarHBondContact O-N 3.03Å; K152-I154 VanDerWaalsContact C-N 3.32Å; K152-I154 PolarHBondContact O-N 3.39Å; K152-A155 PolarHBondContact O-N 3.07Å; K152-S156 VanDerWaalsContact O-CB 3.3Å; K152-S156 WeakPolarHBondContact O-CB 3.44Å; K152-S156 PolarHBondContact O-N 3.04Å; K152-S156 PolarHBondContact O-OG 3.41Å
153T94.7Very high95.4Very high82 Ų8262.9 Ų62.950%0.50333%0.332SS..Hα-helixtrans-63.5-38179-60.90000111.9E149 E150 F151 S156 Q157E149-T153 WeakPolarHBondContact O-CB 3.47Å; E149-T153 PolarHBondContact O-N 3.34Å; E149-T153 PolarHBondContact O-OG1 2.98Å; E150-T153 PolarHBondContact O-N 2.97Å; F151-T153 VanDerWaalsContact C-N 3.29Å; F151-T153 PolarHBondContact O-N 2.89Å; T153-S156 PolarHBondContact O-OG 3.43Å; T153-Q157 WeakPolarHBondContact O-CG 3.36Å
154I94.1Very high95.4Very high24 Ų2460.3 Ų60.312%0.12332%0.323CS..Hα-helixtrans-74.8-46175.7-64.4163.6000110.3F98 A101 E150 F151 K152 S156 Q157F98-I154 HydrophobicContact CB-CG2 3.99Å; F98-I154 HydrophobicContact CD2-CG2 4.17Å; A101-I154 HydrophobicContact CB-CD1 3.48Å; A101-I154 VanDerWaalsContact CB-CD1 3.48Å; E150-I154 HydrophobicContact CG-CD1 4.44Å; E150-I154 PolarHBondContact O-N 2.94Å; E150-I154 VanDerWaalsContact O-N 3.16Å; F151-I154 PolarHBondContact O-N 3.39Å; K152-I154 VanDerWaalsContact C-N 3.32Å; K152-I154 PolarHBondContact O-N 3.39Å; I154-S156 PolarHBondContact O-N 3.21Å; I154-Q157 WeakPolarHBondContact O-CB 3.49Å; I154-Q157 PolarHBondContact O-N 2.96Å
155A92.5Very high95.3Very high3 Ų359.3 Ų59.33%0.02532%0.319CS..Hα-helixtrans-62-31.2-179.100000112.8L3 F98 F151 K152 Q157 L158L3-A155 HydrophobicContact CB-CB 4.38Å; F98-A155 HydrophobicContact CE2-CB 4.21Å; F151-A155 HydrophobicContact CE1-CB 4.18Å; F151-A155 HydrophobicContact CZ-CB 4.25Å; F151-A155 WeakPolarHBondContact O-CB 3.44Å; F151-A155 PolarHBondContact O-N 3.22Å; K152-A155 PolarHBondContact O-N 3.07Å; A155-Q157 PolarHBondContact O-N 3.22Å; A155-L158 WeakPolarHBondContact O-CB 3.29Å; A155-L158 PolarHBondContact O-N 3.43Å
156S92.5Very high95.3Very high80 Ų8060.7 Ų60.756%0.55933%0.325SS*.THydrogen-bonded Turntrans-70-12.2177.470.40000113.6K152 T153 I154 L158 P159K152-S156 VanDerWaalsContact O-CB 3.3Å; K152-S156 WeakPolarHBondContact O-CB 3.44Å; K152-S156 PolarHBondContact O-N 3.04Å; K152-S156 PolarHBondContact O-OG 3.41Å; T153-S156 PolarHBondContact O-OG 3.43Å; I154-S156 PolarHBondContact O-N 3.21Å; S156-L158 VanDerWaalsContact C-N 3.29Å; S156-P159 VanDerWaalsContact O-CD 3.27Å; S156-P159 WeakPolarHBondContact O-CD 3.4Å
157Q93.9Very high95.3Very high59 Ų5961.7 Ų61.728%0.27632%0.322SS..THydrogen-bonded Turntrans-80.4-9.8175.8-56.9-176.517.800113.1T153 I154 A155 P159 K160 H161T153-Q157 WeakPolarHBondContact O-CG 3.36Å; I154-Q157 WeakPolarHBondContact O-CB 3.49Å; I154-Q157 PolarHBondContact O-N 2.96Å; A155-Q157 PolarHBondContact O-N 3.22Å; Q157-P159 VanDerWaalsContact C-CD 3.48Å; Q157-K160 VanDerWaalsContact O-CB 3.3Å; Q157-K160 WeakPolarHBondContact O-CB 3.39Å; Q157-K160 PolarHBondContact O-N 3.14Å; Q157-H161 PolarHBondContact O-CD2 3.44Å; Q157-H161 VanDerWaalsContact O-CD2 3.22Å; Q157-H161 PolarHBondContact O-N 3.16Å
158L93.5Very high95.3Very high8 Ų860.1 Ų60.14%0.04232%0.316CS..Hα-helixtrans-50.4-46.6-179.1-178.761.3000113.9R6 F7 F10 A155 S156 K160 H161 Q162R6-L158 HydrophobicContact CB-CD2 3.72Å; F7-L158 HydrophobicContact CB-CD2 4.39Å; F7-L158 HydrophobicContact CD2-CB 3.95Å; F7-L158 HydrophobicContact CD2-CD1 3.95Å; F7-L158 HydrophobicContact CD2-CG 4.37Å; F7-L158 HydrophobicContact CE2-CB 4.35Å; F7-L158 HydrophobicContact CE2-CD1 4.38Å; F7-L158 HydrophobicContact CG-CD1 4.27Å; F10-L158 HydrophobicContact CB-CD1 3.81Å; F10-L158 HydrophobicContact CD1-CD1 3.58Å; F10-L158 HydrophobicContact CE1-CD1 4.36Å; F10-L158 HydrophobicContact CG-CD1 3.77Å; A155-L158 WeakPolarHBondContact O-CB 3.29Å; A155-L158 PolarHBondContact O-N 3.43Å; S156-L158 VanDerWaalsContact C-N 3.29Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 2.97Å; L158-H161 PolarHBondContact O-N 2.89Å; L158-H161 VanDerWaalsContact O-N 3.11Å; L158-Q162 HydrophobicContact CD1-CG 4.3Å; L158-Q162 HydrophobicContact CG-CG 4.42Å; L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.43Å
159P94.1Very high95.3Very high84 Ų8461.7 Ų61.755%0.54532%0.324SS..Hα-helixtrans-60.5-34.9178.5-23.736000113.4S156 Q157 Q162 S163S156-P159 VanDerWaalsContact O-CD 3.27Å; S156-P159 WeakPolarHBondContact O-CD 3.4Å; Q157-P159 VanDerWaalsContact C-CD 3.48Å; P159-Q162 PolarHBondContact O-N 2.92Å; P159-S163 PolarHBondContact O-N 2.86Å
160K95.4Very high95.4Very high136 Ų13661.1 Ų61.159%0.59132%0.322SS*.Hα-helixtrans-63.3-46.3174.9178.2-170.8173.2-170.70110.4Q157 L158 Q162 S163 S164Q157-K160 VanDerWaalsContact O-CB 3.3Å; Q157-K160 WeakPolarHBondContact O-CB 3.39Å; Q157-K160 PolarHBondContact O-N 3.14Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 2.97Å; K160-Q162 VanDerWaalsContact C-N 3.33Å; K160-Q162 PolarHBondContact O-N 3.16Å; K160-S163 WeakPolarHBondContact O-CB 3.32Å; K160-S163 PolarHBondContact O-N 3.48Å; K160-S164 PolarHBondContact O-N 2.88Å; K160-S164 PolarHBondContact O-OG 2.96Å
161H95.8Very high95.4Very high16 Ų1658.5 Ų58.57%0.07432%0.315CS..Hα-helixtrans-64.8-37.2178.1-57-54000112.3F10 F90 Q157 L158 S164 Q165F10-H161 HydrophobicContact CE1-CB 3.69Å; F10-H161 HydrophobicContact CZ-CB 4.19Å; F90-H161 HydrophobicContact CD2-CB 4.04Å; F90-H161 AromaticContact CD2-CG 3.78Å; F90-H161 AromaticContact CD2-ND1 3.78Å; F90-H161 HydrophobicContact CE2-CB 3.82Å; F90-H161 AromaticContact CE2-CD2 3.76Å; F90-H161 AromaticContact CE2-CG 3.63Å; Q157-H161 PolarHBondContact O-CD2 3.44Å; Q157-H161 VanDerWaalsContact O-CD2 3.22Å; Q157-H161 PolarHBondContact O-N 3.16Å; L158-H161 PolarHBondContact O-N 2.89Å; L158-H161 VanDerWaalsContact O-N 3.11Å; H161-S164 PolarHBondContact O-N 3.3Å; H161-Q165 WeakPolarHBondContact O-CB 3.36Å; H161-Q165 PolarHBondContact O-N 3.35Å
162Q95.3Very high95.5Very high94 Ų9459.3 Ų59.344%0.43932%0.318SS..Hα-helixtrans-62.2-43.2173.5-70.9178-39.500111.9F10 L158 P159 K160 Q165 Q166F10-Q162 HydrophobicContact CD2-CG 3.9Å; F10-Q162 HydrophobicContact CE2-CB 4.43Å; F10-Q162 HydrophobicContact CE2-CG 3.77Å; F10-Q162 HydrophobicContact CG-CG 4.42Å; F10-Q162 HydrophobicContact CZ-CG 4.21Å; L158-Q162 HydrophobicContact CD1-CG 4.3Å; L158-Q162 HydrophobicContact CG-CG 4.42Å; L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.43Å; P159-Q162 PolarHBondContact O-N 2.92Å; K160-Q162 VanDerWaalsContact C-N 3.33Å; K160-Q162 PolarHBondContact O-N 3.16Å; Q162-Q165 WeakPolarHBondContact O-CB 3.2Å; Q162-Q165 PolarHBondContact O-N 3.21Å; Q162-Q166 PolarHBondContact O-N 3.05Å
163S97.1Very high95.6Very high59 Ų5957.5 Ų57.541%0.41332%0.32SS..Hα-helixtrans-61.8-45.7173.9-170.20000111.5P159 K160 Q165 Q166 D167P159-S163 PolarHBondContact O-N 2.86Å; K160-S163 WeakPolarHBondContact O-CB 3.32Å; K160-S163 PolarHBondContact O-N 3.48Å; S163-Q165 VanDerWaalsContact C-N 3.29Å; S163-Q165 PolarHBondContact O-N 3.03Å; S163-Q166 WeakPolarHBondContact O-CB 3.44Å; S163-Q166 PolarHBondContact O-N 3.01Å; S163-Q166 VanDerWaalsContact O-N 3.1Å; S163-D167 PolarHBondContact O-N 3.43Å
164S96.6Very high95.8Very high42 Ų4257.9 Ų57.929%0.29432%0.319SS..Hα-helixtrans-61-38.9177.3-59.40000112.1K160 H161 Q166 D167 M168K160-S164 PolarHBondContact O-N 2.88Å; K160-S164 PolarHBondContact O-OG 2.96Å; H161-S164 PolarHBondContact O-N 3.3Å; S164-Q166 VanDerWaalsContact C-N 3.34Å; S164-D167 PolarHBondContact O-N 2.68Å; S164-M168 VanDerWaalsContact O-CG 3.27Å; S164-M168 WeakPolarHBondContact O-CG 3.36Å; S164-M168 PolarHBondContact O-N 3.28Å
165Q96.4Very high95.9Very high21 Ų2157.9 Ų57.910%0.09832%0.319CS..Hα-helixtrans-62.3-41.8174.4-172.687.9-0.500111.3F10 T14 H161 Q162 S163 D167 M168 L169F10-Q165 HydrophobicContact CE2-CB 4.14Å; F10-Q165 HydrophobicContact CE2-CG 4.25Å; F10-Q165 HydrophobicContact CZ-CB 3.94Å; F10-Q165 HydrophobicContact CZ-CG 4.35Å; T14-Q165 PolarHBondContact OG1-OE1 3.33Å; H161-Q165 WeakPolarHBondContact O-CB 3.36Å; H161-Q165 PolarHBondContact O-N 3.35Å; Q162-Q165 WeakPolarHBondContact O-CB 3.2Å; Q162-Q165 PolarHBondContact O-N 3.21Å; S163-Q165 VanDerWaalsContact C-N 3.29Å; S163-Q165 PolarHBondContact O-N 3.03Å; Q165-D167 VanDerWaalsContact C-N 3.31Å; Q165-D167 PolarHBondContact O-N 3.32Å; Q165-M168 WeakPolarHBondContact O-CB 3.41Å; Q165-M168 PolarHBondContact O-N 3.4Å; Q165-L169 WeakPolarHBondContact O-CG 3.27Å; Q165-L169 PolarHBondContact O-N 3.13Å
166Q96.8Very high96Very high116 Ų11659.3 Ų59.354%0.54233%0.327SS..Hα-helixtrans-58.9-43.5175.1-177-178-1000111.5Q162 S163 S164 M168 L169 M170Q162-Q166 PolarHBondContact O-N 3.05Å; S163-Q166 WeakPolarHBondContact O-CB 3.44Å; S163-Q166 PolarHBondContact O-N 3.01Å; S163-Q166 VanDerWaalsContact O-N 3.1Å; S164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-M168 VanDerWaalsContact C-N 3.32Å; Q166-M168 PolarHBondContact O-N 3.18Å; Q166-L169 PolarHBondContact O-N 3.48Å; Q166-M170 HydrophobicContact CG-CE 4.33Å; Q166-M170 WeakPolarHBondContact O-CG 3.48Å; Q166-M170 PolarHBondContact O-N 3.4Å
167D97.6Very high96.3Very high84 Ų8460.7 Ų60.745%0.44933%0.327SS..Hα-helixtrans-61.6-40.7176.6-62.6-31.4000112S163 S164 Q165 M170 A171S163-D167 PolarHBondContact O-N 3.43Å; S164-D167 PolarHBondContact O-N 2.68Å; Q165-D167 VanDerWaalsContact C-N 3.31Å; Q165-D167 PolarHBondContact O-N 3.32Å; D167-M170 HydrophobicContact CB-CE 4.44Å; D167-M170 PolarHBondContact O-N 2.88Å; D167-M170 WeakPolarHBondContact OD1-CE 3.44Å; D167-A171 WeakPolarHBondContact O-CB 3.27Å; D167-A171 PolarHBondContact O-N 3.24Å
168M97Very high96.4Very high24 Ų2464.1 Ų64.112%0.11834%0.343CS..Hα-helixtrans-63.4-40.8175.1-64.9170-152.700112V83 P86 M87 S164 Q165 Q166 A171 F172V83-M168 HydrophobicContact CG1-CB 4.24Å; P86-M168 HydrophobicContact CB-CE 3.4Å; P86-M168 VanDerWaalsContact CB-CE 3.4Å; P86-M168 HydrophobicContact CB-CG 4.42Å; P86-M168 HydrophobicContact CB-SD 3.8Å; M87-M168 HydrophobicContact CG-SD 3.49Å; M87-M168 WeakPolarHBondContact CG-SD 3.23Å; S164-M168 VanDerWaalsContact O-CG 3.27Å; S164-M168 WeakPolarHBondContact O-CG 3.36Å; S164-M168 PolarHBondContact O-N 3.28Å; Q165-M168 WeakPolarHBondContact O-CB 3.41Å; Q165-M168 PolarHBondContact O-N 3.4Å; Q166-M168 VanDerWaalsContact C-N 3.32Å; Q166-M168 PolarHBondContact O-N 3.18Å; M168-A171 PolarHBondContact O-N 2.99Å; M168-F172 PolarHBondContact O-N 3.36Å
169L96.7Very high96.6Very high79 Ų7965 Ų6541%0.41435%0.347SS..Hα-helixtrans-64.6-40.6176.1-66.3177.5000111.6F21 Q165 Q166 F172 A173F21-L169 HydrophobicContact CE2-CD2 3.87Å; F21-L169 HydrophobicContact CZ-CD2 3.65Å; Q165-L169 WeakPolarHBondContact O-CG 3.27Å; Q165-L169 PolarHBondContact O-N 3.13Å; Q166-L169 PolarHBondContact O-N 3.48Å; L169-F172 PolarHBondContact O-N 2.87Å; L169-A173 WeakPolarHBondContact O-CB 3.02Å; L169-A173 PolarHBondContact O-N 2.88Å
170M97.7Very high96.8Very high88 Ų8866.3 Ų66.343%0.43335%0.345SS..Hα-helixtrans-65-42.4174.3-69-172.2-65.100111.7Q166 D167 F172 A173 N174Q166-M170 HydrophobicContact CG-CE 4.33Å; Q166-M170 WeakPolarHBondContact O-CG 3.48Å; Q166-M170 PolarHBondContact O-N 3.4Å; D167-M170 HydrophobicContact CB-CE 4.44Å; D167-M170 PolarHBondContact O-N 2.88Å; D167-M170 WeakPolarHBondContact OD1-CE 3.44Å; M170-F172 VanDerWaalsContact C-N 3.33Å; M170-F172 PolarHBondContact O-N 2.92Å; M170-A173 PolarHBondContact O-N 3.3Å; M170-N174 WeakPolarHBondContact O-CB 3.28Å; M170-N174 PolarHBondContact O-N 2.9Å; M170-N174 PolarHBondContact O-ND2 2.83Å
171A96.1Very high96.9Very high27 Ų2763 Ų6322%0.22334%0.336CS..Hα-helixtrans-59.8-43.8175.200000111.4V83 D167 M168 N174 N175V83-A171 HydrophobicContact CG2-CB 4.42Å; D167-A171 WeakPolarHBondContact O-CB 3.27Å; D167-A171 PolarHBondContact O-N 3.24Å; M168-A171 PolarHBondContact O-N 2.99Å; A171-N174 PolarHBondContact O-N 3.03Å; A171-N175 PolarHBondContact O-N 2.73Å; A171-N175 VanDerWaalsContact O-N 3.08Å; A171-N175 PolarHBondContact O-ND2 2.76Å
172F97.1Very high97Very high29 Ų2965.4 Ų65.413%0.12735%0.347CS..Hα-helixtrans-59.5-50.5174.2-179.4-103.5000111.9F21 F24 I79 V83 M168 L169 M170 N174 N175 L176F21-F172 HydrophobicContact CD1-CD1 4.34Å; F21-F172 AromaticContact CD1-CD2 3.67Å; F21-F172 HydrophobicContact CD1-CD2 3.67Å; F21-F172 HydrophobicContact CD1-CE1 4.24Å; F21-F172 AromaticContact CD1-CE2 3.57Å; F21-F172 HydrophobicContact CD1-CE2 3.57Å; F21-F172 HydrophobicContact CD1-CG 4.05Å; F21-F172 AromaticContact CD1-CZ 3.86Å; F21-F172 HydrophobicContact CD1-CZ 3.86Å; F21-F172 HydrophobicContact CE1-CB 4.13Å; F21-F172 AromaticContact CE1-CD1 3.42Å; F21-F172 HydrophobicContact CE1-CD1 3.42Å; F21-F172 VanDerWaalsContact CE1-CD1 3.42Å; F21-F172 AromaticContact CE1-CD2 3.51Å; F21-F172 HydrophobicContact CE1-CD2 3.51Å; F21-F172 AromaticContact CE1-CE1 3.54Å; F21-F172 HydrophobicContact CE1-CE1 3.54Å; F21-F172 AromaticContact CE1-CE2 3.64Å; F21-F172 HydrophobicContact CE1-CE2 3.64Å; F21-F172 AromaticContact CE1-CG 3.38Å; F21-F172 HydrophobicContact CE1-CG 3.38Å; F21-F172 AromaticContact CE1-CZ 3.65Å; F21-F172 HydrophobicContact CE1-CZ 3.65Å; F21-F172 HydrophobicContact CZ-CB 4.32Å; F21-F172 HydrophobicContact CZ-CD1 4.09Å; F21-F172 HydrophobicContact CZ-CD2 4.45Å; F21-F172 HydrophobicContact CZ-CG 4.03Å; F24-F172 AromaticContact CD1-CE2 3.92Å; F24-F172 HydrophobicContact CD1-CE2 3.92Å; F24-F172 HydrophobicContact CD1-CZ 4.01Å; F24-F172 HydrophobicContact CE1-CE2 4.07Å; F24-F172 HydrophobicContact CE1-CZ 4.03Å; F24-F172 HydrophobicContact CG-CZ 4.38Å; F24-F172 HydrophobicContact CZ-CZ 4.41Å; I79-F172 HydrophobicContact CD1-CD2 4.1Å; I79-F172 HydrophobicContact CD1-CE2 4.01Å; I79-F172 HydrophobicContact CG1-CD2 4.21Å; I79-F172 HydrophobicContact CG2-CD2 3.78Å; I79-F172 HydrophobicContact CG2-CE2 4.13Å; V83-F172 HydrophobicContact CG1-CB 4.4Å; V83-F172 HydrophobicContact CG2-CB 4Å; M168-F172 PolarHBondContact O-N 3.36Å; L169-F172 PolarHBondContact O-N 2.87Å; M170-F172 VanDerWaalsContact C-N 3.33Å; M170-F172 PolarHBondContact O-N 2.92Å; F172-N174 VanDerWaalsContact C-N 3.31Å; F172-N174 PolarHBondContact O-N 3.45Å; F172-N175 PolarHBondContact O-N 3.29Å; F172-L176 HydrophobicContact CD1-CD1 3.95Å; F172-L176 HydrophobicContact CD1-CG 4.34Å; F172-L176 HydrophobicContact CE1-CD1 3.23Å; F172-L176 HydrophobicContact CE1-CG 3.88Å; F172-L176 HydrophobicContact CE2-CD1 4.47Å; F172-L176 HydrophobicContact CE2-CG 4.36Å; F172-L176 HydrophobicContact CZ-CD1 3.55Å; F172-L176 HydrophobicContact CZ-CD2 4.17Å; F172-L176 HydrophobicContact CZ-CG 3.89Å; F172-L176 PolarHBondContact O-N 3.38Å
173A97.3Very high97.2Very high53 Ų5361.4 Ų61.444%0.43833%0.33SS..Hα-helixtrans-59-41.5179.900000112.3L169 M170 L176 L177L169-A173 WeakPolarHBondContact O-CB 3.02Å; L169-A173 PolarHBondContact O-N 2.88Å; M170-A173 PolarHBondContact O-N 3.3Å; A173-L176 PolarHBondContact O-N 3.37Å; A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.31Å
174N97.3Very high97.3Very high89 Ų8960.6 Ų60.648%0.47633%0.327SS..Hα-helixtrans-64.7-41.5177.1-74.9-30.9000112.4M170 A171 F172 L177 Q178M170-N174 WeakPolarHBondContact O-CB 3.28Å; M170-N174 PolarHBondContact O-N 2.9Å; M170-N174 PolarHBondContact O-ND2 2.83Å; A171-N174 PolarHBondContact O-N 3.03Å; F172-N174 VanDerWaalsContact C-N 3.31Å; F172-N174 PolarHBondContact O-N 3.45Å; N174-L177 PolarHBondContact O-N 3.42Å; N174-Q178 VanDerWaalsContact O-CG 3.31Å; N174-Q178 WeakPolarHBondContact O-CG 3.48Å; N174-Q178 PolarHBondContact O-N 3.49Å
175N96.4Very high97.3Very high24 Ų2463.1 Ų63.113%0.12833%0.334CS..Hα-helixtrans-62.8-42.3175.4-81.4-82.5000111.5P78 I79 A171 F172 Q178 F179P78-N175 WeakPolarHBondContact CB-OD1 3.3Å; I79-N175 HydrophobicContact CD1-CB 4.14Å; I79-N175 HydrophobicContact CG1-CB 3.84Å; A171-N175 PolarHBondContact O-N 2.73Å; A171-N175 VanDerWaalsContact O-N 3.08Å; A171-N175 PolarHBondContact O-ND2 2.76Å; F172-N175 PolarHBondContact O-N 3.29Å; N175-Q178 PolarHBondContact O-N 2.9Å; N175-F179 WeakPolarHBondContact O-CB 3.45Å; N175-F179 PolarHBondContact O-N 2.89Å
176L96.1Very high97.4Very high34 Ų3464.3 Ų64.318%0.17834%0.339CS..Hα-helixtrans-62.8-44.3174.4-73.6-172.6000112.2F24 M75 F172 A173 Q178 F179 H180F24-L176 HydrophobicContact CE1-CD2 3.76Å; F24-L176 HydrophobicContact CZ-CD2 3.53Å; M75-L176 HydrophobicContact SD-CD2 4.27Å; F172-L176 HydrophobicContact CD1-CD1 3.95Å; F172-L176 HydrophobicContact CD1-CG 4.34Å; F172-L176 HydrophobicContact CE1-CD1 3.23Å; F172-L176 HydrophobicContact CE1-CG 3.88Å; F172-L176 HydrophobicContact CE2-CD1 4.47Å; F172-L176 HydrophobicContact CE2-CG 4.36Å; F172-L176 HydrophobicContact CZ-CD1 3.55Å; F172-L176 HydrophobicContact CZ-CD2 4.17Å; F172-L176 HydrophobicContact CZ-CG 3.89Å; F172-L176 PolarHBondContact O-N 3.38Å; A173-L176 PolarHBondContact O-N 3.37Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.96Å; L176-F179 PolarHBondContact O-N 3.37Å; L176-H180 WeakPolarHBondContact O-CB 3.24Å; L176-H180 PolarHBondContact O-CD2 3.12Å; L176-H180 PolarHBondContact O-N 2.96Å
177L97.5Very high97.5Very high109 Ų10962.1 Ų62.157%0.57133%0.33SS*.Hα-helixtrans-60.5-45.4178.8-179.761.1000111.3A173 N174 H180 T181A173-L177 WeakPolarHBondContact O-CB 3.46Å; A173-L177 PolarHBondContact O-N 3.31Å; N174-L177 PolarHBondContact O-N 3.42Å; L177-H180 PolarHBondContact O-N 3.18Å; L177-T181 VanDerWaalsContact O-CB 3.26Å; L177-T181 WeakPolarHBondContact O-CB 3.48Å; L177-T181 PolarHBondContact O-N 3.09Å; L177-T181 PolarHBondContact O-OG1 2.99Å
178Q97.1Very high97.5Very high131 Ų13165.4 Ų65.461%0.61234%0.34SS*.Hα-helixtrans-60.1-48.8176.3-73.7174.86.100111.4N174 N175 L176 H180 T181 F182N174-Q178 VanDerWaalsContact O-CG 3.31Å; N174-Q178 WeakPolarHBondContact O-CG 3.48Å; N174-Q178 PolarHBondContact O-N 3.49Å; N175-Q178 PolarHBondContact O-N 2.9Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.96Å; Q178-H180 PolarHBondContact O-N 3Å; Q178-T181 PolarHBondContact O-N 3.27Å; Q178-F182 WeakPolarHBondContact O-CB 3.26Å; Q178-F182 PolarHBondContact O-N 3.23Å
179F97.1Very high97.5Very high26 Ų2669.7 Ų69.711%0.11436%0.36CS..Hα-helixtrans-58.2-49.7177.4168.2-105.5000112.1I68 A71 Q72 M75 N175 L176 T181 F182 A183I68-F179 HydrophobicContact CG2-CE2 4.33Å; I68-F179 HydrophobicContact CG2-CZ 4.22Å; A71-F179 HydrophobicContact CB-CD2 4.22Å; A71-F179 HydrophobicContact CB-CE2 4.31Å; Q72-F179 HydrophobicContact CB-CD2 4.44Å; Q72-F179 HydrophobicContact CB-CE2 3.61Å; Q72-F179 HydrophobicContact CB-CZ 3.87Å; Q72-F179 HydrophobicContact CG-CE2 4.28Å; Q72-F179 HydrophobicContact CG-CZ 4.13Å; M75-F179 HydrophobicContact CE-CD1 4.07Å; M75-F179 HydrophobicContact CE-CD2 4.39Å; M75-F179 HydrophobicContact CE-CE1 4.31Å; M75-F179 HydrophobicContact CE-CG 4.11Å; M75-F179 HydrophobicContact SD-CB 4.04Å; M75-F179 HydrophobicContact SD-CD1 4.41Å; M75-F179 HydrophobicContact SD-CG 4.07Å; N175-F179 WeakPolarHBondContact O-CB 3.45Å; N175-F179 PolarHBondContact O-N 2.89Å; L176-F179 PolarHBondContact O-N 3.37Å; F179-T181 PolarHBondContact O-N 3.09Å; F179-F182 PolarHBondContact O-N 2.98Å; F179-A183 WeakPolarHBondContact O-CB 3.19Å; F179-A183 PolarHBondContact O-N 2.89Å
180H97.8Very high97.5Very high112 Ų11268.9 Ų68.952%0.51935%0.352SS..Hα-helixtrans-68.5-34.5-178.2-76.3-59.9000113L176 L177 Q178 A183 A184L176-H180 WeakPolarHBondContact O-CB 3.24Å; L176-H180 PolarHBondContact O-CD2 3.12Å; L176-H180 PolarHBondContact O-N 2.96Å; L177-H180 PolarHBondContact O-N 3.18Å; Q178-H180 PolarHBondContact O-N 3Å; H180-A183 PolarHBondContact O-N 3.03Å; H180-A184 WeakPolarHBondContact O-CB 3.44Å; H180-A184 PolarHBondContact O-N 3.3Å
181T98.5Very high97.4Very high65 Ų6571.1 Ų71.140%0.39937%0.365SS..Hα-helixtrans-63.5-49.6174.4-58.40000110.2L177 Q178 F179 A183 A184 E185L177-T181 VanDerWaalsContact O-CB 3.26Å; L177-T181 WeakPolarHBondContact O-CB 3.48Å; L177-T181 PolarHBondContact O-N 3.09Å; L177-T181 PolarHBondContact O-OG1 2.99Å; Q178-T181 PolarHBondContact O-N 3.27Å; F179-T181 PolarHBondContact O-N 3.09Å; T181-A183 PolarHBondContact O-N 2.98Å; T181-A184 PolarHBondContact O-N 2.76Å; T181-E185 WeakPolarHBondContact O-CG 3.19Å; T181-E185 PolarHBondContact O-N 3.47Å
182F98.4Very high97Very high67 Ų6775.6 Ų75.629%0.29441%0.414SS..Hα-helixtrans-58.6-45.6175.3175.6-96.2000112.2V67 A71 Q178 F179 A184 E185 K186V67-F182 HydrophobicContact CG1-CE1 3.83Å; V67-F182 HydrophobicContact CG1-CZ 3.55Å; A71-F182 HydrophobicContact CB-CD1 3.61Å; A71-F182 HydrophobicContact CB-CE1 3.47Å; A71-F182 VanDerWaalsContact CB-CE1 3.47Å; A71-F182 HydrophobicContact CB-CZ 4.44Å; Q178-F182 WeakPolarHBondContact O-CB 3.26Å; Q178-F182 PolarHBondContact O-N 3.23Å; F179-F182 PolarHBondContact O-N 2.98Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.38Å; F182-E185 WeakPolarHBondContact O-CB 3.36Å; F182-E185 PolarHBondContact O-N 3.19Å; F182-K186 HydrophobicContact CD1-CG 4.34Å; F182-K186 HydrophobicContact CE1-CG 3.86Å; F182-K186 HydrophobicContact CE2-CD 4.46Å; F182-K186 HydrophobicContact CE2-CG 4.25Å; F182-K186 HydrophobicContact CZ-CD 4.31Å; F182-K186 HydrophobicContact CZ-CG 3.83Å; F182-K186 WeakPolarHBondContact O-CG 3.46Å; F182-K186 PolarHBondContact O-N 3.35Å
183A98.3Very high97Very high10 Ų1078 Ų788%0.08343%0.428CS..Hα-helixtrans-62.1-40.3178.100000112I68 F179 H180 T181 K186 L187I68-A183 HydrophobicContact CD1-CB 4.33Å; I68-A183 HydrophobicContact CG1-CB 4.22Å; I68-A183 HydrophobicContact CG2-CB 4.1Å; F179-A183 WeakPolarHBondContact O-CB 3.19Å; F179-A183 PolarHBondContact O-N 2.89Å; H180-A183 PolarHBondContact O-N 3.03Å; T181-A183 PolarHBondContact O-N 2.98Å; A183-K186 PolarHBondContact O-N 3.04Å; A183-L187 WeakPolarHBondContact O-CG 3.45Å; A183-L187 PolarHBondContact O-N 2.68Å
184A98.5Very high97Very high42 Ų4279.3 Ų79.335%0.34743%0.428SS..Hα-helixtrans-65.1-38.1175.600000112.2H180 T181 F182 L187 K188H180-A184 WeakPolarHBondContact O-CB 3.44Å; H180-A184 PolarHBondContact O-N 3.3Å; T181-A184 PolarHBondContact O-N 2.76Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 3.38Å; A184-L187 PolarHBondContact O-N 3.3Å; A184-K188 VanDerWaalsContact O-CG 3.29Å; A184-K188 WeakPolarHBondContact O-CG 3.43Å; A184-K188 PolarHBondContact O-N 3.08Å
185E98.4Very high96.9Very high95 Ų9578.7 Ų78.744%0.44443%0.425SS..Hα-helixtrans-61.1-47.4172.8-71.2169.2-179.300111.1T181 F182 L187 K188 E189T181-E185 WeakPolarHBondContact O-CG 3.19Å; T181-E185 PolarHBondContact O-N 3.47Å; F182-E185 WeakPolarHBondContact O-CB 3.36Å; F182-E185 PolarHBondContact O-N 3.19Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 2.99Å; E185-K188 WeakPolarHBondContact O-CB 3.45Å; E185-K188 PolarHBondContact O-N 3.04Å; E185-K188 VanDerWaalsContact O-N 3.13Å; E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.26Å
186K98.1Very high97Very high46 Ų4681.9 Ų81.920%0.244%0.443CS..Hα-helixtrans-65-34.6178.4-64.9-45.1-178.2-1690113.9C64 V67 I68 F182 A183 E189 Y190C64-K186 VanDerWaalsContact SG-C 3.59Å; C64-K186 PolarHBondContact SG-O 3.49Å; V67-K186 HydrophobicContact CG1-CD 4.31Å; V67-K186 HydrophobicContact CG1-CG 4.01Å; I68-K186 HydrophobicContact CD1-CB 4.21Å; I68-K186 HydrophobicContact CG1-CB 4.02Å; F182-K186 HydrophobicContact CD1-CG 4.34Å; F182-K186 HydrophobicContact CE1-CG 3.86Å; F182-K186 HydrophobicContact CE2-CD 4.46Å; F182-K186 HydrophobicContact CE2-CG 4.25Å; F182-K186 HydrophobicContact CZ-CD 4.31Å; F182-K186 HydrophobicContact CZ-CG 3.83Å; F182-K186 WeakPolarHBondContact O-CG 3.46Å; F182-K186 PolarHBondContact O-N 3.35Å; A183-K186 PolarHBondContact O-N 3.04Å; K186-E189 VanDerWaalsContact CD-OE2 3.28Å; K186-E189 WeakPolarHBondContact CD-OE2 3.48Å; K186-E189 IonicContact NZ-OE1 3.32Å; K186-E189 PolarHBondContact NZ-OE1 3.34Å; K186-E189 IonicContact NZ-OE2 2.7Å; K186-E189 PolarHBondContact NZ-OE2 3.25Å; K186-Y190 PolarHBondContact O-N 3.01Å
187L98.1Very high97Very high70 Ų7084.9 Ų84.937%0.36646%0.459SS..Hα-helixtrans-68.5-38.8172.4-71.7168.1000111.8F61 I68 A183 A184 E185 Y190 L191F61-L187 HydrophobicContact CE2-CD2 4.2Å; I68-L187 HydrophobicContact CD1-CD2 4.18Å; I68-L187 HydrophobicContact CD1-CG 3.95Å; A183-L187 WeakPolarHBondContact O-CG 3.45Å; A183-L187 PolarHBondContact O-N 2.68Å; A184-L187 PolarHBondContact O-N 3.3Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 2.99Å; L187-Y190 PolarHBondContact O-N 3.4Å; L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.25Å; L187-L191 PolarHBondContact O-N 2.59Å
188K98.1Very high97Very high153 Ų15383.3 Ų83.367%0.66545%0.452SS*.Hα-helixtrans-65.7-40174.9-74.5171.9-178.8176.80112.3A184 E185 Y190 L191 G192A184-K188 VanDerWaalsContact O-CG 3.29Å; A184-K188 WeakPolarHBondContact O-CG 3.43Å; A184-K188 PolarHBondContact O-N 3.08Å; E185-K188 WeakPolarHBondContact O-CB 3.45Å; E185-K188 PolarHBondContact O-N 3.04Å; E185-K188 VanDerWaalsContact O-N 3.13Å; K188-Y190 PolarHBondContact O-N 3.06Å; K188-L191 PolarHBondContact O-N 2.82Å; K188-G192 PolarHBondContact O-N 3.37Å
189E96.7Very high97Very high115 Ų11579.9 Ų79.954%0.53744%0.44SS..Hα-helixtrans-60.1-35.1173.7-74.2172.5-154.400112.1E185 K186E185-E189 WeakPolarHBondContact O-CG 3.38Å; E185-E189 PolarHBondContact O-N 3.26Å; K186-E189 VanDerWaalsContact CD-OE2 3.28Å; K186-E189 WeakPolarHBondContact CD-OE2 3.48Å; K186-E189 IonicContact NZ-OE1 3.32Å; K186-E189 PolarHBondContact NZ-OE1 3.34Å; K186-E189 IonicContact NZ-OE2 2.7Å; K186-E189 PolarHBondContact NZ-OE2 3.25Å
190Y96.1Very high97Very high61 Ų6184.1 Ų84.124%0.23947%0.466CS..Hα-helixtrans-72.8-39.6174.6163.7-108.6000112.8D57 K60 F61 K186 L187 K188D57-Y190 VanDerWaalsContact OD1-CE2 3.26Å; D57-Y190 WeakPolarHBondContact OD1-CE2 3.43Å; D57-Y190 PolarHBondContact OD1-OH 2.99Å; D57-Y190 PolarHBondContact OD2-OH 3.21Å; D57-Y190 VanDerWaalsContact OD2-OH 3.09Å; K60-Y190 HydrophobicContact CB-CD2 4.19Å; K60-Y190 HydrophobicContact CB-CE2 4.3Å; F61-Y190 HydrophobicContact CB-CD2 4.18Å; F61-Y190 HydrophobicContact CB-CE1 4.4Å; F61-Y190 HydrophobicContact CB-CE2 3.67Å; F61-Y190 AromaticContact CD2-CD1 3.75Å; F61-Y190 HydrophobicContact CD2-CD1 3.75Å; F61-Y190 HydrophobicContact CD2-CD2 4.35Å; F61-Y190 AromaticContact CD2-CE1 3.65Å; F61-Y190 HydrophobicContact CD2-CE1 3.65Å; F61-Y190 HydrophobicContact CD2-CE2 4.27Å; F61-Y190 HydrophobicContact CD2-CG 4.11Å; F61-Y190 AromaticContact CD2-CZ 3.95Å; F61-Y190 HydrophobicContact CE2-CD1 4.3Å; F61-Y190 HydrophobicContact CE2-CE1 4.25Å; F61-Y190 HydrophobicContact CG-CE1 4.2Å; F61-Y190 HydrophobicContact CG-CE2 4.34Å; K186-Y190 PolarHBondContact O-N 3.01Å; L187-Y190 PolarHBondContact O-N 3.4Å; K188-Y190 PolarHBondContact O-N 3.06Å
191L95.7Very high96.9Very high136 Ų13681.8 Ų81.871%0.71246%0.461SS*.Hα-helixtrans-78.9-17.8-175.9-70.6170.5000114.4L187 K188L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.25Å; L187-L191 PolarHBondContact O-N 2.59Å; K188-L191 PolarHBondContact O-N 2.82Å
192G88.1Confident96.8Very high121 Ų12183.3 Ų83.3100%1.24747%0.467SS*.  trans-900179.700000113.1K188K188-G192 PolarHBondContact O-N 3.37Å

Retrieved 192 of 192 residues in 135 ms (Link to these results)

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