A0A3Q0KKN4_SCHMA Loading...

Putative sodium/solute symporter

AlphaFold DB , UniProt , Accession A0A3Q0KKN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.1Very low76.3Confident244 Ų24482.5 Ų82.5100%1.20241%0.413SS*.  0130.80-92.3165.2146.800107.6
2S60.3Low77.2Confident93 Ų9378.6 Ų78.665%0.6539%0.394SS*.  trans-65.9131.6171.638.50000109.2T4S2-T4 PolarHBondContact O-N 2.82Å
3P67.8Low77.9Confident28 Ų2873.4 Ų73.418%0.18237%0.368CS..  trans-58.2127.5-178.516.5-26.5000110.8M342P3-M342 HydrophobicContact CB-CE 4.26Å; P3-M342 HydrophobicContact CG-CB 3.99Å; P3-M342 WeakPolarHBondContact CG-O 3.19Å; P3-M342 WeakPolarHBondContact O-CE 3.47Å
4T77.8Confident78.7Confident92 Ų9271.1 Ų71.156%0.56437%0.366SS*.  trans-107.6155.117855.70000110.7S2 R352S2-T4 PolarHBondContact O-N 2.82Å; T4-R352 PolarHBondContact O-NH1 3.1Å
5F78.2Confident79.5Confident15 Ų1571.8 Ų71.87%0.06637%0.369CS..  trans-62.9140.9173.2-77.9-60.4000112.2D9 Y10 F168 S172 L174 M342 R352 L356F5-D9 HydrophobicContact CB-CB 4.31Å; F5-D9 HydrophobicContact CD1-CB 3.55Å; F5-D9 HydrophobicContact CE1-CB 4.24Å; F5-D9 HydrophobicContact CG-CB 4.28Å; F5-Y10 HydrophobicContact CB-CD2 4.24Å; F5-Y10 HydrophobicContact CB-CE2 3.43Å; F5-Y10 VanDerWaalsContact CB-CE2 3.43Å; F5-Y10 HydrophobicContact CG-CE2 4.48Å; F5-F168 HydrophobicContact CE2-CD1 4.27Å; F5-F168 AromaticContact CZ-CD1 3.99Å; F5-F168 HydrophobicContact CZ-CD1 3.99Å; F5-F168 HydrophobicContact CZ-CE1 4.12Å; F5-S172 VanDerWaalsContact CD2-CB 3.45Å; F5-S172 WeakPolarHBondContact CE2-OG 3.5Å; F5-L174 HydrophobicContact CD2-CB 4.05Å; F5-L174 HydrophobicContact CE2-CB 4.09Å; F5-L174 HydrophobicContact CE2-CD2 4.34Å; F5-M342 HydrophobicContact CE1-SD 4.07Å; F5-M342 HydrophobicContact CZ-SD 4.1Å; F5-R352 HydrophobicContact CD1-CB 4.03Å; F5-R352 HydrophobicContact CE1-CB 3.73Å; F5-L356 HydrophobicContact CE1-CD2 4.45Å; F5-L356 HydrophobicContact CE2-CD1 4.13Å; F5-L356 HydrophobicContact CE2-CD2 4.17Å; F5-L356 HydrophobicContact CZ-CB 4.27Å; F5-L356 HydrophobicContact CZ-CD1 3.85Å; F5-L356 HydrophobicContact CZ-CD2 4.01Å; F5-L356 HydrophobicContact CZ-CG 4.29Å
6H81.9Confident80Confident82 Ų8268.3 Ų68.338%0.3835%0.353SS..  trans-90.4155170.2-174.4-105.7000110S8 D9 Y10 V349H6-S8 PolarHBondContact ND1-OG 3.12Å; H6-S8 PolarHBondContact O-N 3.32Å; H6-D9 PolarHBondContact N-OD2 2.72Å; H6-D9 VanDerWaalsContact O-CB 3.32Å; H6-D9 WeakPolarHBondContact O-CB 3.29Å; H6-D9 PolarHBondContact O-N 2.77Å; H6-Y10 VanDerWaalsContact O-CD2 3.24Å; H6-Y10 WeakPolarHBondContact O-CD2 3.03Å; H6-V349 HydrophobicContact CB-CG1 4.46Å
7W83.6Confident80.6Confident176 Ų17665 Ų6567%0.66734%0.336SS*.Hα-helixtrans-53.8-32.8-174.968.8-97.6000113.6D9 Y10 L11W7-D9 VanDerWaalsContact C-N 3.31Å; W7-D9 PolarHBondContact O-N 3.12Å; W7-Y10 WeakPolarHBondContact O-CB 3.4Å; W7-Y10 PolarHBondContact O-N 2.82Å; W7-L11 HydrophobicContact CZ3-CD2 4.01Å; W7-L11 PolarHBondContact O-N 3.44Å; W7-L11 VanDerWaalsContact O-N 3.11Å
8S85.4Confident81.2Confident8 Ų866.9 Ų66.96%0.05635%0.346CS..Hα-helixtrans-66.4-28.8176.655.60000113.8H6 Y10 L11 I12 V349H6-S8 PolarHBondContact ND1-OG 3.12Å; H6-S8 PolarHBondContact O-N 3.32Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; S8-L11 WeakPolarHBondContact O-CB 3.4Å; S8-L11 PolarHBondContact O-N 2.81Å; S8-I12 PolarHBondContact O-N 3.29Å; S8-V349 WeakPolarHBondContact OG-CG1 3.23Å
9D84.1Confident81.7Confident0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-67.3-39.4176.5-59.4-41.1000110F5 H6 W7 L11 I12 F13 L350 G353F5-D9 HydrophobicContact CB-CB 4.31Å; F5-D9 HydrophobicContact CD1-CB 3.55Å; F5-D9 HydrophobicContact CE1-CB 4.24Å; F5-D9 HydrophobicContact CG-CB 4.28Å; H6-D9 PolarHBondContact N-OD2 2.72Å; H6-D9 VanDerWaalsContact O-CB 3.32Å; H6-D9 WeakPolarHBondContact O-CB 3.29Å; H6-D9 PolarHBondContact O-N 2.77Å; W7-D9 VanDerWaalsContact C-N 3.31Å; W7-D9 PolarHBondContact O-N 3.12Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-I12 PolarHBondContact O-N 2.76Å; D9-F13 WeakPolarHBondContact O-CB 3.43Å; D9-F13 PolarHBondContact O-N 2.82Å; D9-F13 VanDerWaalsContact O-N 3.11Å; D9-L350 PolarHBondContact OD1-N 3.03Å; D9-L350 VanDerWaalsContact OD1-N 3.15Å; D9-G353 WeakPolarHBondContact O-CA 3.3Å; D9-G353 PolarHBondContact OD1-N 2.83Å
10Y85.6Confident82.2Confident80 Ų8062.9 Ų62.931%0.31433%0.329SS..Hα-helixtrans-65-38.2172-59.9-95.9000111.8F5 H6 W7 S8 F13 A14 L174F5-Y10 HydrophobicContact CB-CD2 4.24Å; F5-Y10 HydrophobicContact CB-CE2 3.43Å; F5-Y10 VanDerWaalsContact CB-CE2 3.43Å; F5-Y10 HydrophobicContact CG-CE2 4.48Å; H6-Y10 VanDerWaalsContact O-CD2 3.24Å; H6-Y10 WeakPolarHBondContact O-CD2 3.03Å; W7-Y10 WeakPolarHBondContact O-CB 3.4Å; W7-Y10 PolarHBondContact O-N 2.82Å; S8-Y10 VanDerWaalsContact C-N 3.32Å; Y10-F13 PolarHBondContact O-N 2.75Å; Y10-A14 WeakPolarHBondContact O-CB 3.48Å; Y10-A14 PolarHBondContact O-N 3.26Å; Y10-L174 HydrophobicContact CD1-CD1 4.1Å; Y10-L174 HydrophobicContact CE1-CD1 3.32Å
11L87.7Confident82.6Confident89 Ų8960.8 Ų60.847%0.46632%0.32SS..Hα-helixtrans-61.9-47.5177.5-177.968000111.3W7 S8 D9 F13 A14 I15W7-L11 HydrophobicContact CZ3-CD2 4.01Å; W7-L11 PolarHBondContact O-N 3.44Å; W7-L11 VanDerWaalsContact O-N 3.11Å; S8-L11 WeakPolarHBondContact O-CB 3.4Å; S8-L11 PolarHBondContact O-N 2.81Å; D9-L11 VanDerWaalsContact C-N 3.34Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 2.76Å; L11-A14 PolarHBondContact O-N 3Å; L11-I15 HydrophobicContact CD1-CD1 4.4Å; L11-I15 HydrophobicContact CD2-CD1 4.48Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.28Å
12I87.1Confident84.7Confident36 Ų3653.9 Ų53.919%0.18529%0.287CS..Hα-helixtrans-61-43.8177.3-69.4-70.9000111.1S8 D9 A14 I15 S16 L350 I354S8-I12 PolarHBondContact O-N 3.29Å; D9-I12 PolarHBondContact O-N 2.76Å; I12-A14 PolarHBondContact O-N 2.82Å; I12-I15 PolarHBondContact O-N 3.46Å; I12-S16 PolarHBondContact O-N 3.32Å; I12-L350 HydrophobicContact CD1-CD1 3.69Å; I12-L350 HydrophobicContact CD1-CD2 4.2Å; I12-L350 HydrophobicContact CD1-CG 3.76Å; I12-L350 HydrophobicContact CG1-CD1 3.49Å; I12-L350 VanDerWaalsContact CG1-CD1 3.49Å; I12-L350 HydrophobicContact CG1-CG 3.66Å; I12-I354 HydrophobicContact CG2-CG1 3.95Å
13F86.4Confident86Confident11 Ų1151.2 Ų51.25%0.04827%0.265CS..Hα-helixtrans-60-46.5176.2-179.3-120.1000111.6D9 Y10 L11 I15 S16 L17 T183 L356 F360D9-F13 WeakPolarHBondContact O-CB 3.43Å; D9-F13 PolarHBondContact O-N 2.82Å; D9-F13 VanDerWaalsContact O-N 3.11Å; Y10-F13 PolarHBondContact O-N 2.75Å; L11-F13 VanDerWaalsContact C-N 3.31Å; L11-F13 PolarHBondContact O-N 2.76Å; F13-I15 PolarHBondContact O-N 3.01Å; F13-S16 WeakPolarHBondContact O-CB 3.07Å; F13-S16 PolarHBondContact O-N 3.46Å; F13-S16 PolarHBondContact O-OG 3.25Å; F13-L17 HydrophobicContact CD1-CD1 4.26Å; F13-L17 HydrophobicContact CE1-CD1 3.78Å; F13-L17 HydrophobicContact CE2-CD1 4.41Å; F13-L17 HydrophobicContact CE2-CD2 4.32Å; F13-L17 HydrophobicContact CE2-CG 4.33Å; F13-L17 HydrophobicContact CZ-CD1 3.87Å; F13-L17 HydrophobicContact CZ-CD2 4.31Å; F13-L17 HydrophobicContact CZ-CG 4.26Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 2.72Å; F13-L17 VanDerWaalsContact O-N 3.11Å; F13-T183 HydrophobicContact CE2-CG2 4.36Å; F13-T183 HydrophobicContact CZ-CG2 3.67Å; F13-L356 HydrophobicContact CB-CD2 3.87Å; F13-L356 HydrophobicContact CB-CG 4.45Å; F13-L356 HydrophobicContact CD1-CD2 4.03Å; F13-L356 HydrophobicContact CD2-CB 4.48Å; F13-L356 HydrophobicContact CD2-CD2 4.12Å; F13-L356 HydrophobicContact CD2-CG 3.93Å; F13-L356 HydrophobicContact CE2-CG 4.34Å; F13-L356 HydrophobicContact CG-CD2 3.73Å; F13-L356 HydrophobicContact CG-CG 4.08Å; F13-F360 HydrophobicContact CD2-CD2 4.48Å; F13-F360 HydrophobicContact CE2-CB 3.63Å; F13-F360 AromaticContact CE2-CD2 3.6Å; F13-F360 HydrophobicContact CE2-CD2 3.6Å; F13-F360 AromaticContact CE2-CG 3.82Å; F13-F360 HydrophobicContact CE2-CG 3.82Å; F13-F360 HydrophobicContact CZ-CB 4.14Å; F13-F360 AromaticContact CZ-CD2 3.73Å; F13-F360 HydrophobicContact CZ-CD2 3.73Å; F13-F360 HydrophobicContact CZ-CE2 4.34Å; F13-F360 AromaticContact CZ-CG 3.93Å; F13-F360 HydrophobicContact CZ-CG 3.93Å
14A88.4Confident86.9Confident42 Ų4249.9 Ų49.935%0.34726%0.257SS..Hα-helixtrans-61.1-41.9175.700000112.5Y10 L11 I12 S16 L17 I18Y10-A14 WeakPolarHBondContact O-CB 3.48Å; Y10-A14 PolarHBondContact O-N 3.26Å; L11-A14 PolarHBondContact O-N 3Å; I12-A14 PolarHBondContact O-N 2.82Å; A14-S16 VanDerWaalsContact C-N 3.3Å; A14-S16 PolarHBondContact O-N 3.2Å; A14-L17 PolarHBondContact O-N 3.06Å; A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.33Å; A14-I18 PolarHBondContact O-N 3.04Å
15I90.5Very high87.4Confident81 Ų8148.4 Ų48.442%0.41524%0.244SC..Hα-helixtrans-58.3-44.7174.8-70.5164.9000110.2L11 I12 F13 L17 I18 C19L11-I15 HydrophobicContact CD1-CD1 4.4Å; L11-I15 HydrophobicContact CD2-CD1 4.48Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.28Å; I12-I15 PolarHBondContact O-N 3.46Å; F13-I15 PolarHBondContact O-N 3.01Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.1Å; I15-I18 PolarHBondContact O-N 3.26Å; I15-C19 PolarHBondContact O-N 3.45Å; I15-C19 PolarHBondContact O-SG 2.9Å
16S88.3Confident87.9Confident15 Ų1552 Ų5211%0.10526%0.258CS..Hα-helixtrans-59.7-43.3177.980.60000112.1I12 F13 A14 I18 C19 Y20 S357I12-S16 PolarHBondContact O-N 3.32Å; F13-S16 WeakPolarHBondContact O-CB 3.07Å; F13-S16 PolarHBondContact O-N 3.46Å; F13-S16 PolarHBondContact O-OG 3.25Å; A14-S16 VanDerWaalsContact C-N 3.3Å; A14-S16 PolarHBondContact O-N 3.2Å; S16-I18 PolarHBondContact O-N 3.25Å; S16-C19 WeakPolarHBondContact O-CB 3.48Å; S16-C19 PolarHBondContact O-N 3.36Å; S16-Y20 WeakPolarHBondContact O-CD2 3.35Å; S16-Y20 WeakPolarHBondContact O-CE2 3.08Å; S16-Y20 VanDerWaalsContact O-CG 3.23Å; S16-Y20 PolarHBondContact O-N 3.5Å; S16-Y20 VanDerWaalsContact O-N 3.1Å; S16-S357 PolarHBondContact OG-OG 3.05Å
17L90.1Very high88.1Confident13 Ų1348.8 Ų48.87%0.06824%0.243CC..Hα-helixtrans-65.4-38.3177.4-66.2-178.4000112.8F13 A14 I15 Y20 S21 T183 V186 L364F13-L17 HydrophobicContact CD1-CD1 4.26Å; F13-L17 HydrophobicContact CE1-CD1 3.78Å; F13-L17 HydrophobicContact CE2-CD1 4.41Å; F13-L17 HydrophobicContact CE2-CD2 4.32Å; F13-L17 HydrophobicContact CE2-CG 4.33Å; F13-L17 HydrophobicContact CZ-CD1 3.87Å; F13-L17 HydrophobicContact CZ-CD2 4.31Å; F13-L17 HydrophobicContact CZ-CG 4.26Å; F13-L17 WeakPolarHBondContact O-CG 3.35Å; F13-L17 PolarHBondContact O-N 2.72Å; F13-L17 VanDerWaalsContact O-N 3.11Å; A14-L17 PolarHBondContact O-N 3.06Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.1Å; L17-Y20 HydrophobicContact CD2-CD2 4.31Å; L17-Y20 PolarHBondContact O-N 3.28Å; L17-S21 PolarHBondContact O-N 3.29Å; L17-S21 PolarHBondContact O-OG 3.08Å; L17-T183 HydrophobicContact CD2-CG2 4.31Å; L17-V186 HydrophobicContact CB-CG1 4.4Å; L17-V186 HydrophobicContact CB-CG2 4.1Å; L17-V186 HydrophobicContact CD1-CG2 4.42Å; L17-V186 HydrophobicContact CD2-CB 4.34Å; L17-V186 HydrophobicContact CD2-CG1 4.16Å; L17-V186 HydrophobicContact CD2-CG2 4.4Å; L17-L364 HydrophobicContact CD2-CD1 3.78Å
18I91.9Very high88.3Confident99 Ų9943.5 Ų43.551%0.50822%0.223SC..Hα-helixtrans-64.2-46.4174.4-69.2164.9000109.6A14 I15 S16 Y20 S21 L22A14-I18 VanDerWaalsContact O-CG1 3.29Å; A14-I18 WeakPolarHBondContact O-CG1 3.33Å; A14-I18 PolarHBondContact O-N 3.04Å; I15-I18 PolarHBondContact O-N 3.26Å; S16-I18 PolarHBondContact O-N 3.25Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.96Å; I18-S21 WeakPolarHBondContact O-CB 2.89Å; I18-S21 PolarHBondContact O-N 2.77Å; I18-S21 VanDerWaalsContact O-N 3.13Å; I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.13Å; I18-L22 WeakPolarHBondContact O-CB 3.41Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.01Å
19C90.9Very high88.2Confident51 Ų5148.4 Ų48.435%0.34524%0.241SC..Hα-helixtrans-55.5-45176.7-70.30000111.9I15 S16 S21 L22 I23I15-C19 PolarHBondContact O-N 3.45Å; I15-C19 PolarHBondContact O-SG 2.9Å; S16-C19 WeakPolarHBondContact O-CB 3.48Å; S16-C19 PolarHBondContact O-N 3.36Å; C19-S21 PolarHBondContact O-N 3.08Å; C19-L22 PolarHBondContact O-N 2.79Å; C19-I23 WeakPolarHBondContact O-CG1 3.02Å; C19-I23 PolarHBondContact O-N 3.23Å; C19-I23 VanDerWaalsContact O-N 3.12Å
20Y90.4Very high88.2Confident2 Ų249 Ų491%0.00824%0.244CC..Hα-helixtrans-64.2-41.6177.4-53.1-35.1000112.2S16 L17 I18 L22 I23 G24 V202 F205 Q206 L364S16-Y20 WeakPolarHBondContact O-CD2 3.35Å; S16-Y20 WeakPolarHBondContact O-CE2 3.08Å; S16-Y20 VanDerWaalsContact O-CG 3.23Å; S16-Y20 PolarHBondContact O-N 3.5Å; S16-Y20 VanDerWaalsContact O-N 3.1Å; L17-Y20 HydrophobicContact CD2-CD2 4.31Å; L17-Y20 PolarHBondContact O-N 3.28Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.96Å; Y20-L22 VanDerWaalsContact C-N 3.34Å; Y20-L22 PolarHBondContact O-N 3.45Å; Y20-I23 PolarHBondContact O-N 3.18Å; Y20-G24 PolarHBondContact O-N 2.04Å; Y20-V202 HydrophobicContact CD1-CG1 4.08Å; Y20-V202 HydrophobicContact CG-CG1 4.22Å; Y20-F205 HydrophobicContact CD1-CD1 4.34Å; Y20-F205 AromaticContact CE1-CD1 3.68Å; Y20-F205 HydrophobicContact CE1-CD1 3.68Å; Y20-F205 AromaticContact CE1-CE1 3.87Å; Y20-F205 HydrophobicContact CE1-CE1 3.87Å; Y20-Q206 HydrophobicContact CD1-CG 4.17Å; Y20-Q206 HydrophobicContact CE1-CG 3.63Å; Y20-Q206 HydrophobicContact CE2-CG 4.35Å; Y20-L364 HydrophobicContact CD2-CD1 3.52Å; Y20-L364 HydrophobicContact CE2-CD1 3.57Å
21S90.5Very high87.9Confident20 Ų2047.6 Ų47.614%0.1424%0.242CC..Hα-helixtrans-62.7-40.7176.3-57.30000111.9L17 I18 C19 I23 G24 I25L17-S21 PolarHBondContact O-N 3.29Å; L17-S21 PolarHBondContact O-OG 3.08Å; I18-S21 WeakPolarHBondContact O-CB 2.89Å; I18-S21 PolarHBondContact O-N 2.77Å; I18-S21 VanDerWaalsContact O-N 3.13Å; C19-S21 PolarHBondContact O-N 3.08Å; S21-I23 PolarHBondContact O-N 2.77Å; S21-G24 PolarHBondContact O-N 3.47Å; S21-I25 WeakPolarHBondContact O-CG1 3.3Å; S21-I25 PolarHBondContact O-N 3.47Å
22L91.3Very high87.7Confident98 Ų9847.3 Ų47.351%0.51324%0.244SC..Hα-helixtrans-64.2-37.6177.7-72173.8000112.4I18 C19 Y20 G24 I25 Y26I18-L22 HydrophobicContact CG2-CD1 3.85Å; I18-L22 HydrophobicContact CG2-CG 4.13Å; I18-L22 WeakPolarHBondContact O-CB 3.41Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.01Å; C19-L22 PolarHBondContact O-N 2.79Å; Y20-L22 VanDerWaalsContact C-N 3.34Å; Y20-L22 PolarHBondContact O-N 3.45Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 3.16Å; L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 2.99Å; L22-Y26 WeakPolarHBondContact O-CB 3.24Å; L22-Y26 PolarHBondContact O-N 2.83Å
23I88.1Confident87.5Confident38 Ų3848.2 Ų48.220%0.19525%0.249CC..Hα-helixtrans-61.9-43.3173.4-64164.6000110C19 Y20 S21 Y26 H27 W201 V202C19-I23 WeakPolarHBondContact O-CG1 3.02Å; C19-I23 PolarHBondContact O-N 3.23Å; C19-I23 VanDerWaalsContact O-N 3.12Å; Y20-I23 PolarHBondContact O-N 3.18Å; S21-I23 PolarHBondContact O-N 2.77Å; I23-Y26 WeakPolarHBondContact O-CB 3.32Å; I23-Y26 PolarHBondContact O-N 3.3Å; I23-H27 PolarHBondContact O-CD2 3.22Å; I23-H27 VanDerWaalsContact O-CD2 3.25Å; I23-H27 PolarHBondContact O-N 2.9Å; I23-W201 HydrophobicContact CG2-CB 4.23Å; I23-V202 HydrophobicContact CB-CG2 3.73Å; I23-V202 HydrophobicContact CD1-CG2 4.08Å; I23-V202 HydrophobicContact CG2-CG2 3.56Å
24G86.4Confident87.2Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-57.5-48.6173.800000113.2Y20 S21 L22 Y26 H27 R28Y20-G24 PolarHBondContact O-N 2.04Å; S21-G24 PolarHBondContact O-N 3.47Å; L22-G24 VanDerWaalsContact C-N 3.32Å; L22-G24 PolarHBondContact O-N 3.16Å; G24-Y26 PolarHBondContact O-N 2.94Å; G24-H27 PolarHBondContact O-N 2.71Å; G24-R28 PolarHBondContact O-N 3.31Å
25I89.2Confident86.9Confident60 Ų6054.3 Ų54.331%0.30827%0.269SS..Hα-helixtrans-61.3-44.2177.5-67.5167.6000110.8S21 L22 H27 R28 Y29 F189S21-I25 WeakPolarHBondContact O-CG1 3.3Å; S21-I25 PolarHBondContact O-N 3.47Å; L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 2.99Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 3.41Å; I25-R28 PolarHBondContact O-N 3.27Å; I25-Y29 HydrophobicContact CG2-CD2 3.97Å; I25-Y29 PolarHBondContact O-N 3.35Å; I25-F189 HydrophobicContact CD1-CE1 4.02Å; I25-F189 HydrophobicContact CD1-CZ 4.2Å; I25-F189 HydrophobicContact CG1-CE1 3.81Å; I25-F189 HydrophobicContact CG1-CZ 4.01Å
26Y89.4Confident86.7Confident90 Ų9057.3 Ų57.335%0.35328%0.279SS..Hα-helixtrans-57.5-46177.6167.9-99.4000111.7L22 I23 G24 H30 I33 F34L22-Y26 WeakPolarHBondContact O-CB 3.24Å; L22-Y26 PolarHBondContact O-N 2.83Å; I23-Y26 WeakPolarHBondContact O-CB 3.32Å; I23-Y26 PolarHBondContact O-N 3.3Å; G24-Y26 PolarHBondContact O-N 2.94Å; Y26-H30 AromaticContact CE2-CD2 3.9Å; Y26-H30 AromaticContact CZ-CD2 3.56Å; Y26-H30 WeakPolarHBondContact O-CA 3.29Å; Y26-H30 WeakPolarHBondContact O-CB 3.37Å; Y26-H30 PolarHBondContact O-N 3.39Å; Y26-H30 PolarHBondContact OH-CD2 3.44Å; Y26-I33 HydrophobicContact CD2-CD1 4.48Å; Y26-F34 HydrophobicContact CE2-CE2 4.36Å
27H85.9Confident86.5Confident16 Ų1659.3 Ų59.37%0.07429%0.289CS..Hα-helixtrans-68.4-36.2179.5-83-75.2000112.9I23 G24 I25 R51 R197 A198 W201I23-H27 PolarHBondContact O-CD2 3.22Å; I23-H27 VanDerWaalsContact O-CD2 3.25Å; I23-H27 PolarHBondContact O-N 2.9Å; G24-H27 PolarHBondContact O-N 2.71Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 3.41Å; H27-R51 PolarHBondContact ND1-NH1 2.98Å; H27-R197 VanDerWaalsContact ND1-CD 3.29Å; H27-R197 WeakPolarHBondContact ND1-CD 3.29Å; H27-R197 WeakPolarHBondContact ND1-CG 3.38Å; H27-A198 HydrophobicContact CB-CB 3.93Å; H27-W201 AromaticContact CE1-CD1 3.53Å; H27-W201 AromaticContact NE2-CD1 3.47Å; H27-W201 AromaticContact NE2-CG 3.76Å
28R86Confident86Confident64 Ų6461.3 Ų61.324%0.24230%0.302CS..Hα-helixtrans-67.9-47.8176.8174.655.5175-173.8-9112.9G24 I25 M54 F193 Y401G24-R28 PolarHBondContact O-N 3.31Å; I25-R28 PolarHBondContact O-N 3.27Å; R28-M54 WeakPolarHBondContact CD-SD 3.43Å; R28-M54 PolarHBondContact NH1-SD 2.87Å; R28-F193 WeakPolarHBondContact CD-O 3.32Å; R28-Y401 PolarHBondContact NH1-OH 3.02Å; R28-Y401 PolarHBondContact NH2-OH 3.1Å
29Y84.9Confident85.6Confident112 Ų11260.7 Ų60.744%0.43931%0.306SS..Hα-helixtrans-106.819.3-171.2-63.7-75.5000113.2I25 N31 V32 I33I25-Y29 HydrophobicContact CG2-CD2 3.97Å; I25-Y29 PolarHBondContact O-N 3.35Å; Y29-N31 VanDerWaalsContact C-N 3.28Å; Y29-N31 PolarHBondContact O-N 3.04Å; Y29-N31 VanDerWaalsContact O-N 3.11Å; Y29-V32 PolarHBondContact O-N 3.4Å; Y29-I33 WeakPolarHBondContact O-CG1 3.36Å; Y29-I33 PolarHBondContact O-N 2.62Å
30H83.3Confident85.4Confident11 Ų1162.1 Ų62.15%0.05132%0.315CS..Hα-helixtrans-43.8-51.1-175.9178-85.7000113.4Y26 I33 F34 R51Y26-H30 AromaticContact CE2-CD2 3.9Å; Y26-H30 AromaticContact CZ-CD2 3.56Å; Y26-H30 WeakPolarHBondContact O-CA 3.29Å; Y26-H30 WeakPolarHBondContact O-CB 3.37Å; Y26-H30 PolarHBondContact O-N 3.39Å; Y26-H30 PolarHBondContact OH-CD2 3.44Å; H30-I33 PolarHBondContact O-N 3.44Å; H30-F34 AromaticContact CE1-CD2 3.71Å; H30-F34 AromaticContact CE1-CE2 3.97Å; H30-F34 AromaticContact NE2-CD2 3.69Å; H30-F34 AromaticContact NE2-CE2 3.54Å; H30-F34 WeakPolarHBondContact O-CB 3.35Å; H30-F34 PolarHBondContact O-N 2.96Å; H30-R51 VanDerWaalsContact CD2-CZ 3.41Å; H30-R51 PolarHBondContact CD2-NH2 2.9Å; H30-R51 VanDerWaalsContact CD2-NH2 3.28Å; H30-R51 PolarHBondContact NE2-NH2 3.2Å
31N79.8Confident85.1Confident51 Ų5167.1 Ų67.127%0.27334%0.337SS..Hα-helixtrans-64.8-46.5-178.2-65.1-15.6000111.9Y29 I33 F34 E35 R51Y29-N31 VanDerWaalsContact C-N 3.28Å; Y29-N31 PolarHBondContact O-N 3.04Å; Y29-N31 VanDerWaalsContact O-N 3.11Å; N31-I33 VanDerWaalsContact C-N 3.34Å; N31-I33 PolarHBondContact O-N 3.31Å; N31-F34 PolarHBondContact O-N 3.07Å; N31-E35 VanDerWaalsContact O-CB 3.28Å; N31-E35 WeakPolarHBondContact O-CB 3.38Å; N31-E35 PolarHBondContact O-N 2.91Å; N31-R51 PolarHBondContact ND2-O 3.37Å; N31-R51 PolarHBondContact OD1-N 3.35Å
32V83.6Confident84.4Confident84 Ų8471.7 Ų71.751%0.50937%0.367SS..Hα-helixtrans-63.9-41.3-179.8-1800000110.8Y29 K36Y29-V32 PolarHBondContact O-N 3.4Å; V32-K36 VanDerWaalsContact O-CB 3.31Å; V32-K36 WeakPolarHBondContact O-CB 3.26Å; V32-K36 PolarHBondContact O-N 3.41Å
33I83Confident83.7Confident55 Ų5570.9 Ų70.928%0.28238%0.382SS..Hα-helixtrans-61.7-47.5178.1-70.2166.2000110.3Y26 Y29 H30 N31 K36 L37Y26-I33 HydrophobicContact CD2-CD1 4.48Å; Y29-I33 WeakPolarHBondContact O-CG1 3.36Å; Y29-I33 PolarHBondContact O-N 2.62Å; H30-I33 PolarHBondContact O-N 3.44Å; N31-I33 VanDerWaalsContact C-N 3.34Å; N31-I33 PolarHBondContact O-N 3.31Å; I33-K36 PolarHBondContact O-N 3.35Å; I33-L37 HydrophobicContact CG2-CD1 3.83Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 PolarHBondContact O-N 2.86Å
34F80.2Confident83.1Confident38 Ų3873.4 Ų73.417%0.16740%0.395CS..Hα-helixtrans-70.7-38.6-179.4-100.3-77000113.4Y26 H30 N31 K36 L37 T38 F46 P48Y26-F34 HydrophobicContact CE2-CE2 4.36Å; H30-F34 AromaticContact CE1-CD2 3.71Å; H30-F34 AromaticContact CE1-CE2 3.97Å; H30-F34 AromaticContact NE2-CD2 3.69Å; H30-F34 AromaticContact NE2-CE2 3.54Å; H30-F34 WeakPolarHBondContact O-CB 3.35Å; H30-F34 PolarHBondContact O-N 2.96Å; N31-F34 PolarHBondContact O-N 3.07Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 3.32Å; F34-L37 PolarHBondContact O-N 3.35Å; F34-T38 WeakPolarHBondContact O-CB 3.33Å; F34-T38 PolarHBondContact O-N 3.22Å; F34-T38 PolarHBondContact O-OG1 2.97Å; F34-F46 HydrophobicContact CD1-CB 4.03Å; F34-F46 HydrophobicContact CD1-CD1 4.47Å; F34-F46 HydrophobicContact CD1-CG 4.46Å; F34-F46 HydrophobicContact CE1-CB 4.08Å; F34-F46 AromaticContact CE1-CD1 3.89Å; F34-F46 HydrophobicContact CE1-CD1 3.89Å; F34-F46 HydrophobicContact CE1-CG 4.3Å; F34-P48 HydrophobicContact CB-CB 3.98Å; F34-P48 HydrophobicContact CB-CG 3.81Å; F34-P48 HydrophobicContact CD1-CB 3.52Å; F34-P48 HydrophobicContact CD1-CG 3.66Å; F34-P48 HydrophobicContact CD2-CB 3.94Å; F34-P48 HydrophobicContact CE1-CB 3.89Å; F34-P48 HydrophobicContact CE1-CG 4.4Å; F34-P48 HydrophobicContact CE2-CB 4.29Å; F34-P48 HydrophobicContact CG-CB 3.52Å; F34-P48 HydrophobicContact CG-CG 3.8Å; F34-P48 HydrophobicContact CZ-CB 4.26Å
35E82.2Confident82.3Confident142 Ų14280 Ų8066%0.66443%0.43SS*.Hα-helixtrans-57.6-46.4172.6-175178.5178.500110.1N31 T38 S39N31-E35 VanDerWaalsContact O-CB 3.28Å; N31-E35 WeakPolarHBondContact O-CB 3.38Å; N31-E35 PolarHBondContact O-N 2.91Å; E35-T38 PolarHBondContact O-N 3.29Å; E35-S39 PolarHBondContact O-N 3.4Å
36K85.2Confident81.4Confident144 Ų14480.2 Ų80.263%0.62643%0.429SS*.Hα-helixtrans-66.6-43.2177.6-156.8164.7-173.9178.10112.6V32 I33 F34 T38 S39 C40V32-K36 VanDerWaalsContact O-CB 3.31Å; V32-K36 WeakPolarHBondContact O-CB 3.26Å; V32-K36 PolarHBondContact O-N 3.41Å; I33-K36 PolarHBondContact O-N 3.35Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 3.32Å; K36-T38 VanDerWaalsContact C-N 3.35Å; K36-T38 PolarHBondContact O-N 3.25Å; K36-S39 WeakPolarHBondContact CA-OG 3.39Å; K36-S39 PolarHBondContact O-N 2.83Å; K36-S39 PolarHBondContact O-OG 2.89Å; K36-C40 PolarHBondContact O-N 3.09Å; K36-C40 PolarHBondContact O-SG 3.32Å; K36-C40 VanDerWaalsContact O-SG 3.32Å
37L83.7Confident80.1Confident58 Ų5884.7 Ų84.730%0.30445%0.45SS..Hα-helixtrans-58.3-44173.9-95153.3000112.5I33 F34 S39 C40 F41 F46I33-L37 HydrophobicContact CG2-CD1 3.83Å; I33-L37 WeakPolarHBondContact O-CB 3.49Å; I33-L37 PolarHBondContact O-N 2.86Å; F34-L37 PolarHBondContact O-N 3.35Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 2.67Å; L37-C40 PolarHBondContact O-N 3.3Å; L37-F41 HydrophobicContact CD2-CD2 4.03Å; L37-F41 HydrophobicContact CD2-CE2 4.08Å; L37-F41 WeakPolarHBondContact O-CD2 3.34Å; L37-F41 PolarHBondContact O-N 2.75Å; L37-F46 HydrophobicContact CB-CD2 4.46Å; L37-F46 HydrophobicContact CB-CE2 4.46Å; L37-F46 HydrophobicContact CD2-CE2 4.22Å; L37-F46 HydrophobicContact CD2-CZ 4.15Å
38T81.4Confident79.1Confident55 Ų5586 Ų8634%0.33746%0.46SS..Hα-helixtrans-64.7-37.6178.2-47.20000110.7F34 E35 K36 F41F34-T38 WeakPolarHBondContact O-CB 3.33Å; F34-T38 PolarHBondContact O-N 3.22Å; F34-T38 PolarHBondContact O-OG1 2.97Å; E35-T38 PolarHBondContact O-N 3.29Å; K36-T38 VanDerWaalsContact C-N 3.35Å; K36-T38 PolarHBondContact O-N 3.25Å; T38-F41 CarbonylContact O-C 3.59Å
39S83.4Confident78.2Confident86 Ų8691.6 Ų91.660%0.60149%0.486SS*.Hα-helixtrans-68.6-37.3175.2770000113.5E35 K36 L37E35-S39 PolarHBondContact O-N 3.4Å; K36-S39 WeakPolarHBondContact CA-OG 3.39Å; K36-S39 PolarHBondContact O-N 2.83Å; K36-S39 PolarHBondContact O-OG 2.89Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 2.67Å
40C85.8Confident77.4Confident80 Ų8092.2 Ų92.254%0.54150%0.501SS..Hα-helixtrans-75.8-26.1179.5-69.10000113.2K36 L37K36-C40 PolarHBondContact O-N 3.09Å; K36-C40 PolarHBondContact O-SG 3.32Å; K36-C40 VanDerWaalsContact O-SG 3.32Å; L37-C40 PolarHBondContact O-N 3.3Å
41F84.7Confident76.9Confident107 Ų10794.2 Ų94.247%0.46951%0.509SS..  trans-130.570.5-176.5-59.6-76.6000111.3L37 T38 G43 I44 F46L37-F41 HydrophobicContact CD2-CD2 4.03Å; L37-F41 HydrophobicContact CD2-CE2 4.08Å; L37-F41 WeakPolarHBondContact O-CD2 3.34Å; L37-F41 PolarHBondContact O-N 2.75Å; T38-F41 CarbonylContact O-C 3.59Å; F41-G43 PolarHBondContact O-N 3.28Å; F41-G43 VanDerWaalsContact O-N 3.07Å; F41-I44 HydrophobicContact CB-CB 4.23Å; F41-I44 HydrophobicContact CB-CD1 4.18Å; F41-I44 HydrophobicContact CB-CG1 4.31Å; F41-I44 HydrophobicContact CG-CD1 4.46Å; F41-I44 PolarHBondContact O-N 3.25Å; F41-F46 HydrophobicContact CB-CE2 4.28Å
42P74.4Confident76.5Confident117 Ų11799.9 Ų99.976%0.7653%0.531SS*.THydrogen-bonded Turntrans-61.7-21.3-175.422.7-32.5000113.9
43G77.7Confident76.2Confident80 Ų80105.4 Ų105.483%0.82555%0.548SS*.THydrogen-bonded Turntrans-80.7-10.8175.200000115F41F41-G43 PolarHBondContact O-N 3.28Å; F41-G43 VanDerWaalsContact O-N 3.07Å
44I75.6Confident76Confident91 Ų91104.5 Ų104.547%0.46754%0.543SS..SBendtrans-107.5110.6179.7-57.7177.1000108F41 F46F41-I44 HydrophobicContact CB-CB 4.23Å; F41-I44 HydrophobicContact CB-CD1 4.18Å; F41-I44 HydrophobicContact CB-CG1 4.31Å; F41-I44 HydrophobicContact CG-CD1 4.46Å; F41-I44 PolarHBondContact O-N 3.25Å; I44-F46 HydrophobicContact CB-CD2 4.12Å; I44-F46 HydrophobicContact CB-CE2 3.75Å; I44-F46 HydrophobicContact CB-CZ 4.37Å; I44-F46 HydrophobicContact CG2-CD1 4.45Å; I44-F46 HydrophobicContact CG2-CD2 3.8Å; I44-F46 HydrophobicContact CG2-CE1 4.15Å; I44-F46 HydrophobicContact CG2-CE2 3.44Å; I44-F46 VanDerWaalsContact CG2-CE2 3.44Å; I44-F46 HydrophobicContact CG2-CG 4.3Å; I44-F46 HydrophobicContact CG2-CZ 3.64Å; I44-F46 WeakPolarHBondContact O-CD2 3.44Å; I44-F46 PolarHBondContact O-N 2.76Å
45N70Confident76.4Confident139 Ų139105 Ų10574%0.74355%0.547SS*.  trans-76.175.2-177.2-132.6-22.7000110.4K47N45-K47 PolarHBondContact O-N 2.71Å; N45-K47 VanDerWaalsContact O-N 3.09Å
46F69.5Low76.8Confident64 Ų6498.6 Ų98.628%0.28152%0.518SS..  trans-66.6107.1168.8-69.1-75.3000107.6F34 L37 F41 I44 P48F34-F46 HydrophobicContact CD1-CB 4.03Å; F34-F46 HydrophobicContact CD1-CD1 4.47Å; F34-F46 HydrophobicContact CD1-CG 4.46Å; F34-F46 HydrophobicContact CE1-CB 4.08Å; F34-F46 AromaticContact CE1-CD1 3.89Å; F34-F46 HydrophobicContact CE1-CD1 3.89Å; F34-F46 HydrophobicContact CE1-CG 4.3Å; L37-F46 HydrophobicContact CB-CD2 4.46Å; L37-F46 HydrophobicContact CB-CE2 4.46Å; L37-F46 HydrophobicContact CD2-CE2 4.22Å; L37-F46 HydrophobicContact CD2-CZ 4.15Å; F41-F46 HydrophobicContact CB-CE2 4.28Å; I44-F46 HydrophobicContact CB-CD2 4.12Å; I44-F46 HydrophobicContact CB-CE2 3.75Å; I44-F46 HydrophobicContact CB-CZ 4.37Å; I44-F46 HydrophobicContact CG2-CD1 4.45Å; I44-F46 HydrophobicContact CG2-CD2 3.8Å; I44-F46 HydrophobicContact CG2-CE1 4.15Å; I44-F46 HydrophobicContact CG2-CE2 3.44Å; I44-F46 VanDerWaalsContact CG2-CE2 3.44Å; I44-F46 HydrophobicContact CG2-CG 4.3Å; I44-F46 HydrophobicContact CG2-CZ 3.64Å; I44-F46 WeakPolarHBondContact O-CD2 3.44Å; I44-F46 PolarHBondContact O-N 2.76Å; F46-P48 WeakPolarHBondContact O-CD 3.37Å
47K62.5Low77Confident185 Ų18595.8 Ų95.880%0.80451%0.507SS*.  trans-98.273.2171.8-71.2-172.1178.6-178.20110.8N45N45-K47 PolarHBondContact O-N 2.71Å; N45-K47 VanDerWaalsContact O-N 3.09Å
48P65.4Low77.3Confident43 Ų4393.9 Ų93.928%0.27950%0.497SS..  trans-72.9143.8176.832.6-36.5000110.5F34 F46 V50F34-P48 HydrophobicContact CB-CB 3.98Å; F34-P48 HydrophobicContact CB-CG 3.81Å; F34-P48 HydrophobicContact CD1-CB 3.52Å; F34-P48 HydrophobicContact CD1-CG 3.66Å; F34-P48 HydrophobicContact CD2-CB 3.94Å; F34-P48 HydrophobicContact CE1-CB 3.89Å; F34-P48 HydrophobicContact CE1-CG 4.4Å; F34-P48 HydrophobicContact CE2-CB 4.29Å; F34-P48 HydrophobicContact CG-CB 3.52Å; F34-P48 HydrophobicContact CG-CG 3.8Å; F34-P48 HydrophobicContact CZ-CB 4.26Å; F46-P48 WeakPolarHBondContact O-CD 3.37Å; P48-V50 PolarHBondContact O-N 2.81Å
49K66.7Low77.7Confident182 Ų18291.5 Ų91.579%0.79148%0.482SS*.  trans-64.3106.6159.2-92.9179.4172.1176.80108R51K49-R51 PolarHBondContact O-N 3.47Å; K49-R51 VanDerWaalsContact O-N 3.14Å
50V68.4Low78.2Confident125 Ų12587.6 Ų87.676%0.75845%0.454SS*.PPolyproline II helixtrans-54.6118.2169179.40000107.8P48P48-V50 PolarHBondContact O-N 2.81Å
51R71.3Confident78.5Confident53 Ų5383.8 Ų83.820%0.243%0.428CS..PPolyproline II helixtrans-85151.4176.4-62.6-173.4-174169.16.1109.4H27 H30 N31 K49H27-R51 PolarHBondContact ND1-NH1 2.98Å; H30-R51 VanDerWaalsContact CD2-CZ 3.41Å; H30-R51 PolarHBondContact CD2-NH2 2.9Å; H30-R51 VanDerWaalsContact CD2-NH2 3.28Å; H30-R51 PolarHBondContact NE2-NH2 3.2Å; N31-R51 PolarHBondContact ND2-O 3.37Å; N31-R51 PolarHBondContact OD1-N 3.35Å; K49-R51 PolarHBondContact O-N 3.47Å; K49-R51 VanDerWaalsContact O-N 3.14Å
52K72.7Confident78.7Confident170 Ų17078.7 Ų78.774%0.73941%0.406SS*.PPolyproline II helixtrans-63.4157.5170.7-69.5-179.9-179.3176.50109.9M54K52-M54 PolarHBondContact O-N 3.14Å
53K76.3Confident79.4Confident199 Ų19975.8 Ų75.887%0.86538%0.384SS*.PPolyproline II helixtrans-56.9138.9170.7-78.1-174.4177.5179.30109N55K53-N55 PolarHBondContact O-N 2.97Å
54M79.7Confident80Confident37 Ų3773.7 Ų73.718%0.18235%0.351CS..PPolyproline II helixtrans-58.9123.7-179.1-122.1170.998.800110.9R28 K52 E58 L59 F193 Y401R28-M54 WeakPolarHBondContact CD-SD 3.43Å; R28-M54 PolarHBondContact NH1-SD 2.87Å; K52-M54 PolarHBondContact O-N 3.14Å; M54-E58 HydrophobicContact CG-CG 4.04Å; M54-L59 HydrophobicContact CE-CB 4.43Å; M54-L59 HydrophobicContact CE-CD1 3.37Å; M54-L59 HydrophobicContact CE-CG 4.47Å; M54-F193 WeakPolarHBondContact CE-O 3.04Å; M54-Y401 HydrophobicContact CB-CE2 4.41Å; M54-Y401 HydrophobicContact CE-CE2 3.97Å
55N88.4Confident80.8Confident47 Ų4773.7 Ų73.725%0.25135%0.352SS..  trans-122.5-172.7171.465.7-3.2000109K53 E57 E58 L59K53-N55 PolarHBondContact O-N 2.97Å; N55-E57 PolarHBondContact OD1-N 2.68Å; N55-E58 WeakPolarHBondContact OD1-CB 3.37Å; N55-E58 PolarHBondContact OD1-N 3.4Å; N55-L59 VanDerWaalsContact O-CB 3.28Å; N55-L59 WeakPolarHBondContact O-CB 3.35Å; N55-L59 PolarHBondContact O-N 3.28Å
56V89.5Confident81.8Confident8 Ų867.3 Ų67.35%0.04832%0.318CS..Hα-helixtrans-69.3-37.4-177.6174.90000111.5L59 F60 L379 K400V56-L59 PolarHBondContact O-N 2.93Å; V56-F60 HydrophobicContact CG1-CD2 3.5Å; V56-F60 HydrophobicContact CG1-CE2 3.73Å; V56-F60 PolarHBondContact O-N 3.46Å; V56-L379 HydrophobicContact CG1-CD2 4.03Å; V56-L379 HydrophobicContact CG2-CD2 4.47Å; V56-K400 HydrophobicContact CB-CD 4.22Å; V56-K400 HydrophobicContact CB-CG 4.41Å; V56-K400 HydrophobicContact CG1-CD 4.24Å; V56-K400 HydrophobicContact CG1-CG 4.42Å; V56-K400 VanDerWaalsContact CG2-C 3.47Å; V56-K400 HydrophobicContact CG2-CB 3.83Å; V56-K400 HydrophobicContact CG2-CD 3.83Å; V56-K400 HydrophobicContact CG2-CG 3.56Å
57E89.9Confident82.9Confident86 Ų8667 Ų6740%0.40232%0.321SS..Hα-helixtrans-65-44.2177.8-170.9172.4-168.800112N55 L59 L61 G62 R64N55-E57 PolarHBondContact OD1-N 2.68Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.95Å; E57-L61 HydrophobicContact CG-CB 4.46Å; E57-L61 HydrophobicContact CG-CD1 4.43Å; E57-L61 CarbonylContact O-C 3.52Å; E57-L61 VanDerWaalsContact O-CA 3.28Å; E57-L61 WeakPolarHBondContact O-CA 3.44Å; E57-L61 WeakPolarHBondContact O-CB 3.3Å; E57-L61 PolarHBondContact O-N 2.83Å; E57-G62 PolarHBondContact O-N 3.47Å; E57-G62 VanDerWaalsContact O-N 3.1Å; E57-R64 IonicContact OE1-NE 3.53Å
58E90Very high84.5Confident18 Ų1859.7 Ų59.78%0.08429%0.291CS..Hα-helixtrans-64.8-38.9172.6177.661.4-174.400111.3M54 N55 G62 D63 R197M54-E58 HydrophobicContact CG-CG 4.04Å; N55-E58 WeakPolarHBondContact OD1-CB 3.37Å; N55-E58 PolarHBondContact OD1-N 3.4Å; E58-G62 VanDerWaalsContact O-CA 3.3Å; E58-G62 WeakPolarHBondContact O-CA 3.41Å; E58-G62 PolarHBondContact O-N 3.45Å; E58-G62 VanDerWaalsContact O-N 3.07Å; E58-G62 VanDerWaalsContact OE2-CA 3.25Å; E58-G62 WeakPolarHBondContact OE2-CA 3.28Å; E58-D63 WeakPolarHBondContact OE2-CB 3.27Å; E58-D63 PolarHBondContact OE2-N 3.39Å; E58-D63 VanDerWaalsContact OE2-N 3.09Å; E58-R197 VanDerWaalsContact CD-NH2 3.29Å; E58-R197 IonicContact OE1-CZ 3.21Å; E58-R197 IonicContact OE1-NE 3.88Å; E58-R197 PolarHBondContact OE1-NE 3.32Å; E58-R197 IonicContact OE1-NH2 2.87Å; E58-R197 PolarHBondContact OE1-NH2 3Å; E58-R197 IonicContact OE2-CZ 2.68Å; E58-R197 IonicContact OE2-NE 3.17Å; E58-R197 IonicContact OE2-NH2 3.78Å; E58-R197 PolarHBondContact OE2-NH2 3.1Å
59L91.1Very high85.9Confident4 Ų463.1 Ų63.12%0.02131%0.306CS..Hα-helixtrans-65.8-41.1-179.2-176.574.2000112.8M54 N55 V56 E57 G195 I196 Y401 A404M54-L59 HydrophobicContact CE-CB 4.43Å; M54-L59 HydrophobicContact CE-CD1 3.37Å; M54-L59 HydrophobicContact CE-CG 4.47Å; N55-L59 VanDerWaalsContact O-CB 3.28Å; N55-L59 WeakPolarHBondContact O-CB 3.35Å; N55-L59 PolarHBondContact O-N 3.28Å; V56-L59 PolarHBondContact O-N 2.93Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.95Å; L59-G195 CarbonylContact O-C 3.4Å; L59-G195 WeakPolarHBondContact O-CA 3.46Å; L59-I196 PolarHBondContact O-N 3.21Å; L59-Y401 HydrophobicContact CD2-CD2 4.47Å; L59-Y401 HydrophobicContact CD2-CE2 4.33Å; L59-A404 HydrophobicContact CD2-CB 3.39Å
60F92.6Very high87.2Confident4 Ų454.5 Ų54.52%0.01827%0.269CS..Hα-helixtrans-103.1-24.2-175.2-66-38.6000114.5V56 I196 Q279 A375 N376 L379 A404V56-F60 HydrophobicContact CG1-CD2 3.5Å; V56-F60 HydrophobicContact CG1-CE2 3.73Å; V56-F60 PolarHBondContact O-N 3.46Å; F60-I196 VanDerWaalsContact C-CG2 3.45Å; F60-I196 VanDerWaalsContact O-CD1 3.24Å; F60-I196 WeakPolarHBondContact O-CD1 3.3Å; F60-I196 WeakPolarHBondContact O-CG2 3.34Å; F60-Q279 PolarHBondContact O-NE2 3.37Å; F60-A375 HydrophobicContact CE1-CB 3.89Å; F60-A375 HydrophobicContact CZ-CB 4.01Å; F60-N376 HydrophobicContact CB-CB 4.35Å; F60-N376 HydrophobicContact CD1-CB 3.83Å; F60-N376 HydrophobicContact CD2-CB 3.93Å; F60-N376 WeakPolarHBondContact CD2-OD1 3.13Å; F60-N376 HydrophobicContact CE1-CB 4.01Å; F60-N376 HydrophobicContact CE2-CB 4.08Å; F60-N376 HydrophobicContact CG-CB 3.8Å; F60-N376 HydrophobicContact CZ-CB 4.13Å; F60-L379 HydrophobicContact CE2-CB 4.43Å; F60-L379 HydrophobicContact CE2-CD2 3.7Å; F60-L379 HydrophobicContact CZ-CD2 4.36Å; F60-A404 HydrophobicContact CE1-CB 4.45Å; F60-A404 HydrophobicContact CE2-CB 3.87Å; F60-A404 HydrophobicContact CZ-CB 3.56Å
61L91.4Very high88.5Confident1 Ų148.6 Ų48.61%0.00523%0.233CC..Hα-helixtrans-128.2-1.3-175.3-62.5170.7000113.7E57 D63 R64 N127 Q279 L282 A283E57-L61 HydrophobicContact CG-CB 4.46Å; E57-L61 HydrophobicContact CG-CD1 4.43Å; E57-L61 CarbonylContact O-C 3.52Å; E57-L61 VanDerWaalsContact O-CA 3.28Å; E57-L61 WeakPolarHBondContact O-CA 3.44Å; E57-L61 WeakPolarHBondContact O-CB 3.3Å; E57-L61 PolarHBondContact O-N 2.83Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 3.36Å; L61-R64 HydrophobicContact CB-CG 4.14Å; L61-R64 VanDerWaalsContact CD1-NH2 3.28Å; L61-R64 WeakPolarHBondContact O-CA 3.37Å; L61-R64 PolarHBondContact O-N 3.31Å; L61-N127 VanDerWaalsContact CD1-OD1 3.32Å; L61-N127 WeakPolarHBondContact CD1-OD1 3.2Å; L61-Q279 HydrophobicContact CD2-CG 4.07Å; L61-L282 HydrophobicContact CD2-CB 3.96Å; L61-A283 WeakPolarHBondContact O-CA 3.36Å; L61-A283 WeakPolarHBondContact O-CB 3.49Å
62G89.5Confident89.7Confident0 Ų046.6 Ų46.60%023%0.226CC..G310 helixtrans58.838.5177.700000112.8E57 E58 R64 N65 R197E57-G62 PolarHBondContact O-N 3.47Å; E57-G62 VanDerWaalsContact O-N 3.1Å; E58-G62 VanDerWaalsContact O-CA 3.3Å; E58-G62 WeakPolarHBondContact O-CA 3.41Å; E58-G62 PolarHBondContact O-N 3.45Å; E58-G62 VanDerWaalsContact O-N 3.07Å; E58-G62 VanDerWaalsContact OE2-CA 3.25Å; E58-G62 WeakPolarHBondContact OE2-CA 3.28Å; G62-R64 PolarHBondContact O-N 3.39Å; G62-N65 PolarHBondContact O-N 3.27Å; G62-N65 VanDerWaalsContact O-N 3.12Å; G62-R197 PolarHBondContact O-NH2 3.39Å
63D89Confident90.7Very high55 Ų5538.6 Ų38.629%0.29419%0.193SC..G310 helixtrans54.523-174.5-72.2-22.7000112.7E58 L61 N65E58-D63 WeakPolarHBondContact OE2-CB 3.27Å; E58-D63 PolarHBondContact OE2-N 3.39Å; E58-D63 VanDerWaalsContact OE2-N 3.09Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 3.36Å; D63-N65 PolarHBondContact O-N 3.24Å
64R90.6Very high91.6Very high37 Ų3729.1 Ų29.114%0.1415%0.152CC..G310 helixtrans50.639.8-175.3-52179.1179.2-92.83.4112.3E57 L61 G62 R125 L126 L282 A283 C284 R285E57-R64 IonicContact OE1-NE 3.53Å; L61-R64 HydrophobicContact CB-CG 4.14Å; L61-R64 VanDerWaalsContact CD1-NH2 3.28Å; L61-R64 WeakPolarHBondContact O-CA 3.37Å; L61-R64 PolarHBondContact O-N 3.31Å; G62-R64 PolarHBondContact O-N 3.39Å; R64-R125 PolarHBondContact NH2-O 3.39Å; R64-L126 PolarHBondContact NH2-O 3.17Å; R64-L282 WeakPolarHBondContact CG-O 3.31Å; R64-L282 PolarHBondContact NH1-O 2.92Å; R64-A283 CarbonylContact C-O 3.41Å; R64-A283 VanDerWaalsContact CA-O 3.28Å; R64-A283 WeakPolarHBondContact CA-O 3.28Å; R64-C284 CarbonylContact O-C 3.46Å; R64-R285 WeakPolarHBondContact O-CA 3.45Å; R64-R285 PolarHBondContact O-N 2.99Å
65N91.8Very high92.2Very high90 Ų9027.4 Ų27.448%0.48114%0.143SC..  trans-12622.3-175.5-161.215.4000112.9G62 D63 A283G62-N65 PolarHBondContact O-N 3.27Å; G62-N65 VanDerWaalsContact O-N 3.12Å; D63-N65 PolarHBondContact O-N 3.24Å; N65-A283 PolarHBondContact N-O 3.39Å
66L91.1Very high92.4Very high6 Ų625.3 Ų25.33%0.03113%0.132CC..BIsolated β-bridgetrans-75.4140.1177.8-59.8-175000110.9I71 R197 V200 A283L66-I71 HydrophobicContact CB-CD1 3.7Å; L66-I71 HydrophobicContact CB-CG1 3.78Å; L66-I71 HydrophobicContact CD1-CD1 3.61Å; L66-I71 HydrophobicContact CG-CD1 4.29Å; L66-R197 HydrophobicContact CD2-CB 4.3Å; L66-R197 HydrophobicContact CD2-CG 3.84Å; L66-V200 HydrophobicContact CD1-CB 4.36Å; L66-V200 HydrophobicContact CD1-CG1 4.43Å; L66-V200 HydrophobicContact CD1-CG2 4.01Å; L66-A283 WeakPolarHBondContact CB-O 3.47Å; L66-A283 HydrophobicContact CD1-CB 3.79Å; L66-A283 HydrophobicContact CG-CB 4.26Å; L66-A283 PolarHBondContact N-O 2.98Å
67T93.1Very high92.4Very high57 Ų5725.1 Ų25.135%0.3513%0.131SC..  trans-88.5167.6-178.256.60000111.5L69 P70 I71T67-L69 PolarHBondContact O-N 3.04Å; T67-P70 VanDerWaalsContact O-CD 3.31Å; T67-P70 WeakPolarHBondContact O-CD 3.45Å; T67-P70 WeakPolarHBondContact O-CG 3.37Å; T67-P70 VanDerWaalsContact OG1-CD 3.27Å; T67-P70 WeakPolarHBondContact OG1-CD 3.43Å; T67-P70 VanDerWaalsContact OG1-CG 3.32Å; T67-P70 WeakPolarHBondContact OG1-CG 3.25Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 3.1Å
68L95.8Very high92Very high31 Ų3121.6 Ų21.616%0.16212%0.116CC..Hα-helixtrans-58.5-50.1-171.9-17862.4000113.6I71 V72 T289 R292 A293 L296L68-I71 PolarHBondContact O-N 3.18Å; L68-V72 HydrophobicContact CD1-CG2 3.67Å; L68-V72 HydrophobicContact CG-CG2 3.99Å; L68-V72 WeakPolarHBondContact O-CB 3.24Å; L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.83Å; L68-T289 HydrophobicContact CB-CG2 4.08Å; L68-T289 HydrophobicContact CD1-CG2 4.24Å; L68-T289 WeakPolarHBondContact CD1-O 3.21Å; L68-R292 HydrophobicContact CD1-CB 3.82Å; L68-R292 HydrophobicContact CD2-CB 4.4Å; L68-A293 HydrophobicContact CD1-CB 3.96Å; L68-L296 HydrophobicContact CD1-CD1 4.34Å; L68-L296 HydrophobicContact CD2-CD1 4.05Å; L68-L296 HydrophobicContact CG-CD1 4.39Å
69L95.2Very high91.3Very high116 Ų11622.5 Ų22.561%0.60712%0.119SC*.Hα-helixtrans-58.4-54.1-174.1179.564.2000113.5T67 I71 V72 G73 L204T67-L69 PolarHBondContact O-N 3.04Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.32Å; L69-V72 PolarHBondContact O-N 2.81Å; L69-G73 PolarHBondContact O-N 2.9Å; L69-L204 HydrophobicContact CD1-CD1 4.49Å; L69-L204 HydrophobicContact CD2-CD2 4.45Å; L69-L204 HydrophobicContact CG-CD2 4.12Å
70P94.2Very high90.6Very high1 Ų122.4 Ų22.41%0.00612%0.119CC..Hα-helixtrans-61.5-39.8178.824.5-34.3000111.5T67 G73 S74 V200 W201T67-P70 VanDerWaalsContact O-CD 3.31Å; T67-P70 WeakPolarHBondContact O-CD 3.45Å; T67-P70 WeakPolarHBondContact O-CG 3.37Å; T67-P70 VanDerWaalsContact OG1-CD 3.27Å; T67-P70 WeakPolarHBondContact OG1-CD 3.43Å; T67-P70 VanDerWaalsContact OG1-CG 3.32Å; T67-P70 WeakPolarHBondContact OG1-CG 3.25Å; P70-G73 PolarHBondContact O-N 3.39Å; P70-S74 WeakPolarHBondContact O-CB 3.29Å; P70-S74 PolarHBondContact O-N 3.22Å; P70-V200 HydrophobicContact CB-CG1 3.56Å; P70-V200 WeakPolarHBondContact O-CG1 3.32Å; P70-W201 HydrophobicContact CB-CD2 4.36Å; P70-W201 HydrophobicContact CB-CZ2 4.43Å; P70-W201 HydrophobicContact CG-CZ2 4.32Å
71I96Very high89.9Confident0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-65-47177.4-64.1-65.3000112L66 T67 L68 L69 G73 S74 V75 V200 R280 A293L66-I71 HydrophobicContact CB-CD1 3.7Å; L66-I71 HydrophobicContact CB-CG1 3.78Å; L66-I71 HydrophobicContact CD1-CD1 3.61Å; L66-I71 HydrophobicContact CG-CD1 4.29Å; T67-I71 WeakPolarHBondContact O-CG1 3.45Å; T67-I71 PolarHBondContact O-N 3.1Å; L68-I71 PolarHBondContact O-N 3.18Å; L69-I71 VanDerWaalsContact C-N 3.31Å; L69-I71 PolarHBondContact O-N 3.32Å; I71-G73 VanDerWaalsContact C-N 3.33Å; I71-G73 PolarHBondContact O-N 3.31Å; I71-S74 PolarHBondContact O-N 2.88Å; I71-V75 HydrophobicContact CG2-CG2 3.92Å; I71-V75 WeakPolarHBondContact O-CB 3.24Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 3.3Å; I71-V200 HydrophobicContact CD1-CG1 4.02Å; I71-V200 HydrophobicContact CD1-CG2 4.21Å; I71-R280 HydrophobicContact CD1-CB 4.35Å; I71-R280 WeakPolarHBondContact CD1-O 3.32Å; I71-R280 HydrophobicContact CG2-CB 4.5Å; I71-A293 HydrophobicContact CB-CB 4.44Å; I71-A293 HydrophobicContact CG2-CB 3.65Å
72V95.8Very high89.5Confident11 Ų1122.4 Ų22.47%0.06712%0.119CC..Hα-helixtrans-56.2-49.8177.9168.40000110.5L68 L69 S74 M76 A293 L296 L300L68-V72 HydrophobicContact CD1-CG2 3.67Å; L68-V72 HydrophobicContact CG-CG2 3.99Å; L68-V72 WeakPolarHBondContact O-CB 3.24Å; L68-V72 VanDerWaalsContact O-CG2 3.25Å; L68-V72 WeakPolarHBondContact O-CG2 3.26Å; L68-V72 PolarHBondContact O-N 2.83Å; L69-V72 PolarHBondContact O-N 2.81Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 2.87Å; V72-M76 WeakPolarHBondContact O-CB 3.36Å; V72-M76 PolarHBondContact O-N 2.87Å; V72-A293 HydrophobicContact CG2-CB 3.9Å; V72-L296 HydrophobicContact CG1-CB 4.35Å; V72-L296 HydrophobicContact CG2-CB 4.25Å; V72-L296 HydrophobicContact CG2-CD1 3.93Å; V72-L300 HydrophobicContact CG1-CD1 3.33Å
73G93.7Very high88.9Confident3 Ų322.5 Ų22.53%0.03112%0.12CC..Hα-helixtrans-62.8-41.3179.900000112.4L69 P70 I71 M76 A77L69-G73 PolarHBondContact O-N 2.9Å; P70-G73 PolarHBondContact O-N 3.39Å; I71-G73 VanDerWaalsContact C-N 3.33Å; I71-G73 PolarHBondContact O-N 3.31Å; G73-M76 PolarHBondContact O-N 3.08Å; G73-A77 VanDerWaalsContact O-CB 3.3Å; G73-A77 WeakPolarHBondContact O-CB 3.28Å; G73-A77 PolarHBondContact O-N 3.06Å
74S94.8Very high88.7Confident0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-70.4-42.2-179.8-176.40000113.2P70 I71 V72 M76 A77 S78 V200 D203 R280P70-S74 WeakPolarHBondContact O-CB 3.29Å; P70-S74 PolarHBondContact O-N 3.22Å; I71-S74 PolarHBondContact O-N 2.88Å; V72-S74 VanDerWaalsContact C-N 3.34Å; V72-S74 PolarHBondContact O-N 2.87Å; S74-M76 VanDerWaalsContact C-N 3.28Å; S74-M76 PolarHBondContact O-N 3.47Å; S74-A77 PolarHBondContact O-N 2.69Å; S74-S78 PolarHBondContact O-N 3.18Å; S74-S78 PolarHBondContact O-OG 3.1Å; S74-V200 WeakPolarHBondContact OG-CA 3.38Å; S74-D203 PolarHBondContact OG-OD2 2.76Å; S74-R280 PolarHBondContact OG-NE 3.28Å; S74-R280 PolarHBondContact OG-NH2 2.93Å; S74-R280 VanDerWaalsContact OG-NH2 3.11Å
75V93.6Very high88.6Confident0 Ų018.7 Ų18.70%010%0.104CC..Hα-helixtrans-58.4-43173.6169.40000110.8I71 F271 Q277 R280 Y281 N297I71-V75 HydrophobicContact CG2-CG2 3.92Å; I71-V75 WeakPolarHBondContact O-CB 3.24Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 3.3Å; V75-F271 HydrophobicContact CG1-CD1 4.11Å; V75-F271 HydrophobicContact CG1-CE1 3.64Å; V75-Q277 PolarHBondContact O-NE2 3.11Å; V75-R280 HydrophobicContact CG2-CB 4.07Å; V75-Y281 HydrophobicContact CB-CE1 4.44Å; V75-Y281 HydrophobicContact CG1-CE1 4.06Å; V75-Y281 HydrophobicContact CG2-CD1 4.18Å; V75-Y281 HydrophobicContact CG2-CE1 3.47Å; V75-Y281 VanDerWaalsContact CG2-CE1 3.47Å; V75-N297 WeakPolarHBondContact CG1-ND2 3.37Å
76M91.8Very high88.4Confident4 Ų414.6 Ų14.62%0.028%0.082CC..Hα-helixtrans-65.6-51.1176.5-174.6179.817400111.2V72 G73 S74 S78 F79 L80 L207 I211 N297 L300 F304V72-M76 WeakPolarHBondContact O-CB 3.36Å; V72-M76 PolarHBondContact O-N 2.87Å; G73-M76 PolarHBondContact O-N 3.08Å; S74-M76 VanDerWaalsContact C-N 3.28Å; S74-M76 PolarHBondContact O-N 3.47Å; M76-S78 VanDerWaalsContact C-N 3.34Å; M76-S78 PolarHBondContact O-N 3.38Å; M76-F79 PolarHBondContact O-N 3.33Å; M76-F79 VanDerWaalsContact O-N 3.16Å; M76-L80 HydrophobicContact CE-CD1 3.62Å; M76-L80 HydrophobicContact CG-CD1 3.65Å; M76-L80 HydrophobicContact CG-CG 4.38Å; M76-L80 VanDerWaalsContact O-CG 3.28Å; M76-L80 WeakPolarHBondContact O-CG 3.32Å; M76-L80 PolarHBondContact O-N 3.47Å; M76-L80 VanDerWaalsContact O-N 3.1Å; M76-L80 HydrophobicContact SD-CD1 4.42Å; M76-L207 HydrophobicContact CB-CD2 4.15Å; M76-L207 HydrophobicContact CE-CD1 4.02Å; M76-L207 HydrophobicContact CG-CD1 4.03Å; M76-L207 HydrophobicContact CG-CD2 4.18Å; M76-L207 HydrophobicContact SD-CD1 3.92Å; M76-L207 HydrophobicContact SD-CD2 3.66Å; M76-L207 HydrophobicContact SD-CG 4.36Å; M76-I211 HydrophobicContact CE-CD1 4.06Å; M76-N297 VanDerWaalsContact CA-OD1 3.25Å; M76-N297 WeakPolarHBondContact CA-OD1 3.49Å; M76-N297 VanDerWaalsContact CB-OD1 3.3Å; M76-N297 WeakPolarHBondContact CB-OD1 3.35Å; M76-N297 PolarHBondContact N-OD1 3.22Å; M76-L300 HydrophobicContact CE-CB 4.23Å; M76-L300 WeakPolarHBondContact CE-O 3.16Å; M76-L300 HydrophobicContact SD-CB 3.73Å; M76-L300 HydrophobicContact SD-CD1 4.43Å; M76-F304 HydrophobicContact CE-CB 3.49Å; M76-F304 VanDerWaalsContact CE-CB 3.49Å; M76-F304 HydrophobicContact CE-CD2 4.46Å; M76-F304 HydrophobicContact CE-CG 3.93Å
77A89.7Confident88.2Confident4 Ų414.7 Ų14.73%0.0338%0.084CC..Hα-helixtrans-58.1-43.3-178.600000112.6G73 S74 F79 L80 D203 L207 S365G73-A77 VanDerWaalsContact O-CB 3.3Å; G73-A77 WeakPolarHBondContact O-CB 3.28Å; G73-A77 PolarHBondContact O-N 3.06Å; S74-A77 PolarHBondContact O-N 2.69Å; A77-F79 PolarHBondContact O-N 3.24Å; A77-L80 CarbonylContact O-C 3.36Å; A77-L80 PolarHBondContact O-N 3.36Å; A77-D203 HydrophobicContact CB-CB 3.89Å; A77-L207 HydrophobicContact CB-CB 4.31Å; A77-S365 PolarHBondContact O-OG 3.39Å
78S81.6Confident88Confident11 Ų1112.4 Ų12.48%0.0777%0.07CC..Hα-helixtrans-64.1-26.8179.8-56.10000114S74 M76 R280 S369S74-S78 PolarHBondContact O-N 3.18Å; S74-S78 PolarHBondContact O-OG 3.1Å; M76-S78 VanDerWaalsContact C-N 3.34Å; M76-S78 PolarHBondContact O-N 3.38Å; S78-R280 PolarHBondContact OG-NH1 2.88Å; S78-R280 PolarHBondContact OG-NH2 3.02Å; S78-S369 PolarHBondContact OG-OG 2.79Å
79F74.9Confident87.8Confident37 Ų3711 Ų1116%0.1626%0.063CC..Hα-helixtrans-80.7-33173.3-178.5-107.8000111.7M76 A77 S81 Y106 I270 F271 T301M76-F79 PolarHBondContact O-N 3.33Å; M76-F79 VanDerWaalsContact O-N 3.16Å; A77-F79 PolarHBondContact O-N 3.24Å; F79-S81 PolarHBondContact O-N 3.33Å; F79-Y106 HydrophobicContact CE1-CE1 4.24Å; F79-Y106 WeakPolarHBondContact CE1-OH 3.36Å; F79-Y106 HydrophobicContact CZ-CE1 4.11Å; F79-I270 HydrophobicContact CD2-CD1 4.18Å; F79-I270 HydrophobicContact CD2-CG2 4.33Å; F79-I270 HydrophobicContact CE2-CD1 3.89Å; F79-F271 HydrophobicContact CB-CE2 4.3Å; F79-F271 HydrophobicContact CB-CZ 3.68Å; F79-F271 HydrophobicContact CD1-CZ 4.33Å; F79-F271 AromaticContact CD2-CE2 3.51Å; F79-F271 HydrophobicContact CD2-CE2 3.51Å; F79-F271 AromaticContact CD2-CZ 3.8Å; F79-F271 HydrophobicContact CD2-CZ 3.8Å; F79-F271 AromaticContact CE2-CE2 3.89Å; F79-F271 HydrophobicContact CE2-CE2 3.89Å; F79-F271 AromaticContact CG-CE2 3.87Å; F79-F271 HydrophobicContact CG-CE2 3.87Å; F79-F271 AromaticContact CG-CZ 3.67Å; F79-F271 HydrophobicContact CG-CZ 3.67Å; F79-T301 HydrophobicContact CD1-CG2 3.62Å; F79-T301 HydrophobicContact CE1-CG2 3.56Å
80L75.8Confident87.6Confident3 Ų36 Ų62%0.0164%0.037CC..SBendtrans-85.662.1-179.5-60.4177000111.9M76 A77 L207 F304M76-L80 HydrophobicContact CE-CD1 3.62Å; M76-L80 HydrophobicContact CG-CD1 3.65Å; M76-L80 HydrophobicContact CG-CG 4.38Å; M76-L80 VanDerWaalsContact O-CG 3.28Å; M76-L80 WeakPolarHBondContact O-CG 3.32Å; M76-L80 PolarHBondContact O-N 3.47Å; M76-L80 VanDerWaalsContact O-N 3.1Å; M76-L80 HydrophobicContact SD-CD1 4.42Å; A77-L80 CarbonylContact O-C 3.36Å; A77-L80 PolarHBondContact O-N 3.36Å; L80-L207 HydrophobicContact CD1-CD1 3.89Å; L80-F304 HydrophobicContact CB-CE1 4.27Å; L80-F304 HydrophobicContact CD1-CB 4.36Å; L80-F304 HydrophobicContact CD1-CD1 3.19Å; L80-F304 HydrophobicContact CD1-CE1 3.53Å; L80-F304 HydrophobicContact CD1-CG 3.76Å; L80-F304 HydrophobicContact CD1-CZ 4.37Å; L80-F304 HydrophobicContact CD2-CD1 3.34Å; L80-F304 HydrophobicContact CD2-CE1 3.67Å; L80-F304 HydrophobicContact CD2-CG 4.47Å; L80-F304 HydrophobicContact CG-CD1 3.8Å; L80-F304 HydrophobicContact CG-CE1 3.99Å
81S77.9Confident87.4Confident4 Ų46.6 Ų6.63%0.0284%0.04CC..  trans-64159.5174.867.80000111.6F79 V83 A84 I85 T366F79-S81 PolarHBondContact O-N 3.33Å; S81-V83 PolarHBondContact O-N 2.96Å; S81-A84 WeakPolarHBondContact O-CB 3.41Å; S81-A84 PolarHBondContact O-N 3.05Å; S81-A84 PolarHBondContact OG-N 3.46Å; S81-I85 PolarHBondContact O-N 2.94Å; S81-T366 WeakPolarHBondContact CA-OG1 3.38Å; S81-T366 VanDerWaalsContact CB-OG1 3.29Å; S81-T366 WeakPolarHBondContact CB-OG1 3.46Å
82A83.1Confident87.3Confident0 Ų06.6 Ų6.60%04%0.04CC..Hα-helixtrans-53.7-40.2170.200000111.1A84 I85 L86 P164 I359 A362 A363A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 3.26Å; A82-I85 PolarHBondContact O-N 3.48Å; A82-I85 VanDerWaalsContact O-N 3.13Å; A82-L86 HydrophobicContact CB-CD1 4.33Å; A82-L86 WeakPolarHBondContact O-CD1 3.49Å; A82-L86 PolarHBondContact O-N 3.27Å; A82-P164 HydrophobicContact CB-CB 3.83Å; A82-P164 HydrophobicContact CB-CG 3.69Å; A82-I359 HydrophobicContact CB-CG2 4Å; A82-A362 HydrophobicContact CB-CB 4Å; A82-A363 HydrophobicContact CB-CB 4.16Å
83V78.1Confident87.2Confident2 Ų26.2 Ų6.21%0.0124%0.038CC..Hα-helixtrans-56.3-41.2176.4-1770000111.2S81 G87 A160 A163 L430S81-V83 PolarHBondContact O-N 2.96Å; V83-G87 WeakPolarHBondContact O-CA 3.25Å; V83-G87 PolarHBondContact O-N 3.33Å; V83-A160 HydrophobicContact CG2-CB 4.42Å; V83-A163 HydrophobicContact CG2-CB 4.06Å; V83-L430 HydrophobicContact CB-CD1 4.42Å; V83-L430 HydrophobicContact CG1-CD1 3.64Å; V83-L430 HydrophobicContact CG1-CG 3.6Å
84A84.4Confident87.2Confident9 Ų96.7 Ų6.77%0.0744%0.039CC..Hα-helixtrans-66-42.4177.100000112.4S81 A82 G87 T88 F434S81-A84 WeakPolarHBondContact O-CB 3.41Å; S81-A84 PolarHBondContact O-N 3.05Å; S81-A84 PolarHBondContact OG-N 3.46Å; A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 3.26Å; A84-G87 PolarHBondContact O-N 2.93Å; A84-T88 VanDerWaalsContact O-CB 3.32Å; A84-T88 WeakPolarHBondContact O-CB 3.33Å; A84-T88 VanDerWaalsContact O-CG2 3.24Å; A84-T88 WeakPolarHBondContact O-CG2 3.44Å; A84-T88 PolarHBondContact O-N 3.35Å; A84-T88 PolarHBondContact O-OG1 2.65Å; A84-F434 HydrophobicContact CB-CZ 4.41Å
85I88.3Confident87Confident4 Ų47 Ų72%0.0214%0.041CC..Hα-helixtrans-66.8-48.5-178.9-63.2169.6000111.3S81 A82 G87 T88 A89 L210 L214 F304 L337 A362S81-I85 PolarHBondContact O-N 2.94Å; A82-I85 PolarHBondContact O-N 3.48Å; A82-I85 VanDerWaalsContact O-N 3.13Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 3.38Å; I85-T88 PolarHBondContact O-OG1 3.24Å; I85-A89 WeakPolarHBondContact O-CB 3.46Å; I85-A89 PolarHBondContact O-N 2.94Å; I85-L210 HydrophobicContact CD1-CD1 3.33Å; I85-L210 HydrophobicContact CD1-CD2 4.01Å; I85-L210 HydrophobicContact CD1-CG 3.8Å; I85-L214 HydrophobicContact CG2-CD1 4.46Å; I85-F304 HydrophobicContact CD1-CZ 4.39Å; I85-F304 HydrophobicContact CG1-CE1 4.34Å; I85-F304 HydrophobicContact CG1-CZ 4.44Å; I85-L337 HydrophobicContact CG2-CD2 3.6Å; I85-A362 HydrophobicContact CD1-CB 4.01Å
86L88.1Confident87Confident4 Ų47 Ų72%0.0214%0.041CC..Hα-helixtrans-64.2-40.6176.8-76.584.1000110.9A82 S90 A167 D334 P338 I359 L430A82-L86 HydrophobicContact CB-CD1 4.33Å; A82-L86 WeakPolarHBondContact O-CD1 3.49Å; A82-L86 PolarHBondContact O-N 3.27Å; L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 2.97Å; L86-A167 HydrophobicContact CD2-CB 3.42Å; L86-A167 VanDerWaalsContact CD2-CB 3.42Å; L86-D334 WeakPolarHBondContact CD2-O 3.38Å; L86-P338 HydrophobicContact CD2-CG 4.19Å; L86-I359 HydrophobicContact CD1-CD1 4.05Å; L86-I359 HydrophobicContact CD1-CG2 4.01Å; L86-L430 HydrophobicContact CB-CD1 4.4Å
87G85.8Confident87.1Confident8 Ų88.3 Ų8.38%0.0825%0.048CC..Hα-helixtrans-65.9-49.3-179.500000113.8V83 A84 I85 S90 E91V83-G87 WeakPolarHBondContact O-CA 3.25Å; V83-G87 PolarHBondContact O-N 3.33Å; A84-G87 PolarHBondContact O-N 2.93Å; I85-G87 VanDerWaalsContact C-N 3.32Å; I85-G87 PolarHBondContact O-N 3.38Å; G87-S90 PolarHBondContact O-N 3.32Å; G87-E91 WeakPolarHBondContact O-CB 3.41Å; G87-E91 PolarHBondContact O-N 3.1Å
88T89.7Confident87.3Confident8 Ų88.9 Ų8.95%0.0495%0.05CC..Hα-helixtrans-69.5-38.4-17751.50000112.5A84 I85 E91 A92 F99 L305 Q308A84-T88 VanDerWaalsContact O-CB 3.32Å; A84-T88 WeakPolarHBondContact O-CB 3.33Å; A84-T88 VanDerWaalsContact O-CG2 3.24Å; A84-T88 WeakPolarHBondContact O-CG2 3.44Å; A84-T88 PolarHBondContact O-N 3.35Å; A84-T88 PolarHBondContact O-OG1 2.65Å; I85-T88 PolarHBondContact O-OG1 3.24Å; T88-E91 PolarHBondContact O-N 3.31Å; T88-A92 PolarHBondContact O-N 3.12Å; T88-F99 HydrophobicContact CG2-CD1 4.13Å; T88-F99 HydrophobicContact CG2-CE1 3.84Å; T88-L305 HydrophobicContact CG2-CD1 4.04Å; T88-Q308 WeakPolarHBondContact OG1-CB 3.49Å; T88-Q308 PolarHBondContact OG1-OE1 3.02Å; T88-Q308 VanDerWaalsContact OG1-OE1 3.05Å
89A91.1Very high87.8Confident1 Ų19.2 Ų9.21%0.0085%0.05CC..Hα-helixtrans-63.6-44.2173.900000111.4I85 E91 A92 Y93 G312 L337I85-A89 WeakPolarHBondContact O-CB 3.46Å; I85-A89 PolarHBondContact O-N 2.94Å; A89-E91 VanDerWaalsContact C-N 3.33Å; A89-A92 PolarHBondContact O-N 3.37Å; A89-Y93 WeakPolarHBondContact O-CB 3.24Å; A89-Y93 PolarHBondContact O-N 3.28Å; A89-G312 WeakPolarHBondContact O-CA 3.35Å; A89-L337 HydrophobicContact CB-CB 4.33Å; A89-L337 HydrophobicContact CB-CD2 4.33Å
90S90.4Very high88.8Confident11 Ų119.3 Ų9.38%0.0775%0.052CC..Hα-helixtrans-63-38.1174.9175.80000112.6L86 G87 Y93 Q94 Y333L86-S90 WeakPolarHBondContact O-CB 3.39Å; L86-S90 PolarHBondContact O-N 2.97Å; G87-S90 PolarHBondContact O-N 3.32Å; S90-Y93 PolarHBondContact O-N 3.4Å; S90-Q94 WeakPolarHBondContact O-CG 3.45Å; S90-Q94 PolarHBondContact O-N 3.04Å; S90-Q94 VanDerWaalsContact O-N 3.1Å; S90-Q94 PolarHBondContact O-NE2 3.39Å; S90-Q94 PolarHBondContact OG-NE2 3.21Å; S90-Y333 VanDerWaalsContact OG-CB 3.24Å; S90-Y333 WeakPolarHBondContact OG-CB 3.34Å; S90-Y333 PolarHBondContact OG-O 3.1Å
91E90.5Very high89.8Confident15 Ų1510.9 Ų10.97%0.076%0.06CC..Hα-helixtrans-64.6-49.6176.4-168.462.5-152.900111.2G87 T88 A89 Y93 Q94 C95 F99 R253 H254G87-E91 WeakPolarHBondContact O-CB 3.41Å; G87-E91 PolarHBondContact O-N 3.1Å; T88-E91 PolarHBondContact O-N 3.31Å; A89-E91 VanDerWaalsContact C-N 3.33Å; E91-Y93 VanDerWaalsContact C-N 3.26Å; E91-Y93 PolarHBondContact O-N 2.84Å; E91-Q94 PolarHBondContact O-N 3.42Å; E91-C95 WeakPolarHBondContact O-CA 3.38Å; E91-C95 WeakPolarHBondContact O-CB 3.23Å; E91-C95 PolarHBondContact O-N 3.08Å; E91-C95 VanDerWaalsContact OE1-CB 3.32Å; E91-C95 WeakPolarHBondContact OE1-CB 3.3Å; E91-C95 PolarHBondContact OE1-SG 3.21Å; E91-F99 HydrophobicContact CG-CB 4.27Å; E91-R253 IonicContact OE1-CZ 3.7Å; E91-R253 IonicContact OE1-NH1 3.95Å; E91-R253 IonicContact OE1-NH2 2.72Å; E91-R253 IonicContact OE2-CZ 2.75Å; E91-R253 IonicContact OE2-NH1 3.39Å; E91-R253 IonicContact OE2-NH2 3.98Å; E91-R253 PolarHBondContact OE2-NH2 3.41Å; E91-H254 IonicContact OE1-CE1 3.24Å; E91-H254 IonicContact OE1-ND1 3.7Å; E91-H254 PolarHBondContact OE1-ND1 3.03Å
92A94.2Very high90.6Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-62-35.8178.300000112.6T88 A89 G96 L309 L313T88-A92 PolarHBondContact O-N 3.12Å; A89-A92 PolarHBondContact O-N 3.37Å; A92-G96 WeakPolarHBondContact CA-O 3.34Å; A92-G96 VanDerWaalsContact O-CA 3.28Å; A92-G96 WeakPolarHBondContact O-CA 2.93Å; A92-G96 PolarHBondContact O-N 3.46Å; A92-G96 VanDerWaalsContact O-N 3.1Å; A92-L309 HydrophobicContact CB-CB 4.31Å; A92-L309 HydrophobicContact CB-CD2 3.88Å; A92-L309 VanDerWaalsContact CB-O 3.27Å; A92-L309 WeakPolarHBondContact CB-O 3.44Å; A92-L313 HydrophobicContact CB-CD2 4.29Å; A92-L313 HydrophobicContact CB-CG 4.32Å
93Y94.8Very high91.2Very high2 Ų212.8 Ų12.81%0.0087%0.072CC..Hα-helixtrans-63.5-46.6175.5-174.6-84000112.5A89 S90 E91 I315 Y316 F319 D323 P324 Y333 I336 L494A89-Y93 WeakPolarHBondContact O-CB 3.24Å; A89-Y93 PolarHBondContact O-N 3.28Å; S90-Y93 PolarHBondContact O-N 3.4Å; E91-Y93 VanDerWaalsContact C-N 3.26Å; E91-Y93 PolarHBondContact O-N 2.84Å; Y93-I315 HydrophobicContact CD2-CB 4.25Å; Y93-I315 HydrophobicContact CD2-CG2 3.79Å; Y93-I315 HydrophobicContact CE2-CG2 3.97Å; Y93-Y316 VanDerWaalsContact CD2-CA 3.41Å; Y93-Y316 HydrophobicContact CE2-CD2 4.37Å; Y93-F319 HydrophobicContact CE2-CB 4.33Å; Y93-F319 HydrophobicContact CE2-CD2 4.35Å; Y93-D323 WeakPolarHBondContact CE1-OD2 3.47Å; Y93-D323 PolarHBondContact OH-OD2 3.29Å; Y93-P324 WeakPolarHBondContact OH-CD 3.29Å; Y93-Y333 AromaticContact CD1-CD1 3.94Å; Y93-Y333 HydrophobicContact CD1-CD1 3.94Å; Y93-Y333 AromaticContact CD1-CE1 3.98Å; Y93-Y333 HydrophobicContact CD1-CE1 3.98Å; Y93-Y333 HydrophobicContact CE1-CD1 4.05Å; Y93-Y333 AromaticContact CE1-CE1 3.71Å; Y93-Y333 HydrophobicContact CE1-CE1 3.71Å; Y93-I336 HydrophobicContact CD1-CD1 3.78Å; Y93-I336 HydrophobicContact CD2-CD1 3.39Å; Y93-I336 HydrophobicContact CE1-CD1 3.67Å; Y93-I336 HydrophobicContact CE2-CD1 3.23Å; Y93-I336 HydrophobicContact CG-CD1 3.66Å; Y93-I336 VanDerWaalsContact CZ-CD1 3.4Å; Y93-L494 HydrophobicContact CD1-CD2 4.31Å; Y93-L494 HydrophobicContact CE1-CD1 4.2Å; Y93-L494 HydrophobicContact CE1-CD2 3.66Å
94Q91.8Very high92.1Very high13 Ų1313.9 Ų13.96%0.0618%0.083CC..Hα-helixtrans-86-38.8-173-70.117684.600113.7S90 E91 Y333 R491 L492S90-Q94 WeakPolarHBondContact O-CG 3.45Å; S90-Q94 PolarHBondContact O-N 3.04Å; S90-Q94 VanDerWaalsContact O-N 3.1Å; S90-Q94 PolarHBondContact O-NE2 3.39Å; S90-Q94 PolarHBondContact OG-NE2 3.21Å; E91-Q94 PolarHBondContact O-N 3.42Å; Q94-Y333 HydrophobicContact CG-CD1 3.79Å; Q94-Y333 HydrophobicContact CG-CD2 3.96Å; Q94-Y333 HydrophobicContact CG-CE1 4.09Å; Q94-Y333 HydrophobicContact CG-CE2 4.22Å; Q94-Y333 HydrophobicContact CG-CG 3.74Å; Q94-R491 VanDerWaalsContact OE1-NE 3.1Å; Q94-L492 PolarHBondContact O-N 2.94Å
95C91Very high92.7Very high6 Ų613.4 Ų13.44%0.0418%0.079CC..Hα-helixtrans-121.2-3.8-167.3-55.30000112.9E91 S243E91-C95 WeakPolarHBondContact O-CA 3.38Å; E91-C95 WeakPolarHBondContact O-CB 3.23Å; E91-C95 PolarHBondContact O-N 3.08Å; E91-C95 VanDerWaalsContact OE1-CB 3.32Å; E91-C95 WeakPolarHBondContact OE1-CB 3.3Å; E91-C95 PolarHBondContact OE1-SG 3.21Å; C95-S243 WeakPolarHBondContact O-CB 3.5Å; C95-S243 PolarHBondContact O-OG 3.09Å
96G93.3Very high93.1Very high1 Ų113.5 Ų13.51%0.018%0.079CC..  trans79.6-162.1179.900000114A92 Q98 R240A92-G96 WeakPolarHBondContact CA-O 3.34Å; A92-G96 VanDerWaalsContact O-CA 3.28Å; A92-G96 WeakPolarHBondContact O-CA 2.93Å; A92-G96 PolarHBondContact O-N 3.46Å; A92-G96 VanDerWaalsContact O-N 3.1Å; G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 2.7Å; G96-R240 CarbonylContact C-O 3.43Å; G96-R240 VanDerWaalsContact CA-O 3.26Å; G96-R240 WeakPolarHBondContact CA-O 3.47Å
97I95.1Very high93.6Very high31 Ų3116.6 Ų16.616%0.15910%0.1CC..G310 helixtrans-80-5.5-165.4-157.2167.4000114.5F99 I100 R240 S243 F244 L309 L313I97-F99 PolarHBondContact O-N 3.36Å; I97-I100 HydrophobicContact CG1-CB 4.24Å; I97-I100 HydrophobicContact CG1-CG2 4.24Å; I97-I100 VanDerWaalsContact O-CB 3.32Å; I97-I100 WeakPolarHBondContact O-CB 3.33Å; I97-I100 WeakPolarHBondContact O-CG2 3.45Å; I97-I100 PolarHBondContact O-N 3.1Å; I97-R240 PolarHBondContact N-O 2.9Å; I97-S243 PolarHBondContact N-OG 3.5Å; I97-F244 HydrophobicContact CG2-CE1 4.37Å; I97-F244 HydrophobicContact CG2-CE2 4.24Å; I97-F244 HydrophobicContact CG2-CZ 3.79Å; I97-L309 HydrophobicContact CG1-CD1 4.48Å; I97-L313 HydrophobicContact CB-CD1 4.33Å; I97-L313 HydrophobicContact CD1-CD1 4.05Å; I97-L313 HydrophobicContact CG1-CD1 4.33Å
98Q94Very high94.2Very high17 Ų1719.8 Ų19.88%0.07912%0.115CC..G310 helixtrans-45.6-37.8-172-173.4-177.58.100114.6G96 I100 L101 S243 F244 H254 L259G96-Q98 VanDerWaalsContact C-N 3.3Å; G96-Q98 PolarHBondContact O-N 2.7Å; Q98-I100 PolarHBondContact O-N 2.92Å; Q98-L101 WeakPolarHBondContact O-CG 3.42Å; Q98-L101 PolarHBondContact O-N 3.48Å; Q98-S243 PolarHBondContact N-OG 3.07Å; Q98-S243 PolarHBondContact OE1-O 3.17Å; Q98-F244 HydrophobicContact CB-CD1 4.43Å; Q98-F244 HydrophobicContact CG-CD1 4.27Å; Q98-H254 VanDerWaalsContact NE2-C 3.28Å; Q98-H254 PolarHBondContact NE2-O 3.43Å; Q98-L259 HydrophobicContact CG-CD1 3.9Å; Q98-L259 VanDerWaalsContact O-CD1 3.27Å; Q98-L259 WeakPolarHBondContact O-CD1 3.32Å
99F92.4Very high94.5Very high17 Ų1719.4 Ų19.48%0.07511%0.113CC..G310 helixtrans-59.2-16.1179.9-161.7-103.5000114T88 E91 I97 L101 L102 H254 L259 L305 L309T88-F99 HydrophobicContact CG2-CD1 4.13Å; T88-F99 HydrophobicContact CG2-CE1 3.84Å; E91-F99 HydrophobicContact CG-CB 4.27Å; I97-F99 PolarHBondContact O-N 3.36Å; F99-L101 PolarHBondContact O-N 2.82Å; F99-L101 VanDerWaalsContact O-N 3.16Å; F99-L102 HydrophobicContact CE1-CD2 3.78Å; F99-L102 HydrophobicContact CZ-CD2 3.73Å; F99-L102 VanDerWaalsContact O-CB 3.32Å; F99-L102 WeakPolarHBondContact O-CB 3.49Å; F99-L102 PolarHBondContact O-N 3.17Å; F99-L102 VanDerWaalsContact O-N 3.13Å; F99-H254 AromaticContact CD2-CE1 3.6Å; F99-H254 AromaticContact CD2-NE2 3.88Å; F99-H254 AromaticContact CE2-CE1 3.97Å; F99-H254 AromaticContact CE2-NE2 3.88Å; F99-L259 HydrophobicContact CD2-CD2 3.6Å; F99-L259 HydrophobicContact CE2-CD2 3.88Å; F99-L259 HydrophobicContact CG-CD2 4.4Å; F99-L305 HydrophobicContact CD1-CD1 3.96Å; F99-L305 HydrophobicContact CE1-CD1 4.11Å; F99-L309 HydrophobicContact CB-CD2 4.05Å; F99-L309 HydrophobicContact CD1-CD2 4.38Å
100I95.7Very high94.8Very high40 Ų4019.4 Ų19.421%0.20511%0.112CC..G310 helixtrans-57.2-26.1172-164.266.1000112.6I97 Q98 L102 V103 F244 L305 A306 L309I97-I100 HydrophobicContact CG1-CB 4.24Å; I97-I100 HydrophobicContact CG1-CG2 4.24Å; I97-I100 VanDerWaalsContact O-CB 3.32Å; I97-I100 WeakPolarHBondContact O-CB 3.33Å; I97-I100 WeakPolarHBondContact O-CG2 3.45Å; I97-I100 PolarHBondContact O-N 3.1Å; Q98-I100 PolarHBondContact O-N 2.92Å; I100-L102 PolarHBondContact O-N 3.37Å; I100-V103 HydrophobicContact CD1-CG2 4.21Å; I100-V103 WeakPolarHBondContact O-CB 3.35Å; I100-V103 VanDerWaalsContact O-CG2 3.26Å; I100-V103 WeakPolarHBondContact O-CG2 3.47Å; I100-V103 PolarHBondContact O-N 3.16Å; I100-F244 HydrophobicContact CG2-CE1 3.88Å; I100-F244 HydrophobicContact CG2-CZ 4.19Å; I100-L305 HydrophobicContact CD1-CG 4.46Å; I100-A306 HydrophobicContact CD1-CB 4.14Å; I100-L309 HydrophobicContact CB-CD1 3.7Å; I100-L309 HydrophobicContact CD1-CD1 3.84Å; I100-L309 HydrophobicContact CG1-CD1 4.35Å
101L96.2Very high95.2Very high36 Ų3620.7 Ų20.719%0.18812%0.121CC..G310 helixtrans-62.9-14.6178.4-63.8178.9000113.3Q98 F99 V103 G104 F244 L256 L259 I260Q98-L101 WeakPolarHBondContact O-CG 3.42Å; Q98-L101 PolarHBondContact O-N 3.48Å; F99-L101 PolarHBondContact O-N 2.82Å; F99-L101 VanDerWaalsContact O-N 3.16Å; L101-V103 PolarHBondContact O-N 3.48Å; L101-V103 VanDerWaalsContact O-N 3.15Å; L101-G104 PolarHBondContact O-N 3.01Å; L101-F244 HydrophobicContact CD1-CD1 3.69Å; L101-F244 HydrophobicContact CD1-CE1 4.18Å; L101-F244 HydrophobicContact CD2-CD1 4.27Å; L101-F244 HydrophobicContact CD2-CE1 4.04Å; L101-F244 HydrophobicContact CG-CD1 3.94Å; L101-F244 HydrophobicContact CG-CE1 3.89Å; L101-L256 HydrophobicContact CD1-CB 3.89Å; L101-L256 HydrophobicContact CD1-CD1 4.35Å; L101-L256 HydrophobicContact CD1-CG 4.14Å; L101-L259 HydrophobicContact CB-CB 3.91Å; L101-L259 HydrophobicContact CB-CD1 3.94Å; L101-L259 HydrophobicContact CD1-CD1 4.43Å; L101-I260 WeakPolarHBondContact O-CG1 3.43Å
102L93.9Very high95.6Very high5 Ų523 Ų233%0.02613%0.133CC..Hα-helixtrans-58.3-22.9170.5-17262.6000112.6F99 I100 G104 G105 Y106 L259 V267 L305F99-L102 HydrophobicContact CE1-CD2 3.78Å; F99-L102 HydrophobicContact CZ-CD2 3.73Å; F99-L102 VanDerWaalsContact O-CB 3.32Å; F99-L102 WeakPolarHBondContact O-CB 3.49Å; F99-L102 PolarHBondContact O-N 3.17Å; F99-L102 VanDerWaalsContact O-N 3.13Å; I100-L102 PolarHBondContact O-N 3.37Å; L102-G104 PolarHBondContact O-N 2.89Å; L102-G105 WeakPolarHBondContact O-CA 3.49Å; L102-G105 PolarHBondContact O-N 2.94Å; L102-Y106 HydrophobicContact CD2-CE1 4.01Å; L102-Y106 WeakPolarHBondContact CD2-OH 3.15Å; L102-Y106 HydrophobicContact CG-CD1 4.48Å; L102-Y106 HydrophobicContact CG-CE1 3.8Å; L102-Y106 PolarHBondContact O-N 3.04Å; L102-L259 HydrophobicContact CB-CD2 4.5Å; L102-V267 HydrophobicContact CD1-CG2 4.42Å; L102-L305 HydrophobicContact CB-CD2 4.22Å
103V97Very high95.8Very high39 Ų3923.1 Ų23.124%0.23613%0.134CC..Hα-helixtrans-55.9-36.7171172.70000111.7I100 L101 G105 Y106 C107 L305I100-V103 HydrophobicContact CD1-CG2 4.21Å; I100-V103 WeakPolarHBondContact O-CB 3.35Å; I100-V103 VanDerWaalsContact O-CG2 3.26Å; I100-V103 WeakPolarHBondContact O-CG2 3.47Å; I100-V103 PolarHBondContact O-N 3.16Å; L101-V103 PolarHBondContact O-N 3.48Å; L101-V103 VanDerWaalsContact O-N 3.15Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.89Å; V103-Y106 HydrophobicContact CG2-CD2 4.3Å; V103-Y106 WeakPolarHBondContact O-CB 3.12Å; V103-Y106 PolarHBondContact O-N 3.06Å; V103-Y106 VanDerWaalsContact O-N 3.12Å; V103-C107 PolarHBondContact O-N 3.44Å; V103-C107 PolarHBondContact O-SG 2.91Å; V103-C107 VanDerWaalsContact O-SG 3.37Å; V103-L305 HydrophobicContact CG2-CD2 4.17Å
104G97.3Very high95.9Very high24 Ų2423 Ų2325%0.24713%0.134CC..Hα-helixtrans-60.8-39173.500000111.9L101 L102 C107L101-G104 PolarHBondContact O-N 3.01Å; L102-G104 PolarHBondContact O-N 2.89Å; G104-C107 PolarHBondContact O-N 3.13Å
105G96.3Very high96.2Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-65.6-36.8173.100000113.2L102 V103 I108 A109 T264L102-G105 WeakPolarHBondContact O-CA 3.49Å; L102-G105 PolarHBondContact O-N 2.94Å; V103-G105 VanDerWaalsContact C-N 3.27Å; V103-G105 PolarHBondContact O-N 2.89Å; G105-I108 PolarHBondContact O-N 3.33Å; G105-A109 VanDerWaalsContact O-CB 3.31Å; G105-A109 WeakPolarHBondContact O-CB 3.36Å; G105-A109 PolarHBondContact O-N 3.5Å; G105-T264 WeakPolarHBondContact CA-OG1 3.3Å
106Y96.8Very high96.5Very high5 Ų526.9 Ų26.92%0.0215%0.148CC..Hα-helixtrans-60.7-44.4173.2-61.8-21.2000112F79 L102 V103 I108 A109 F110 V267 T301 L305F79-Y106 HydrophobicContact CE1-CE1 4.24Å; F79-Y106 WeakPolarHBondContact CE1-OH 3.36Å; F79-Y106 HydrophobicContact CZ-CE1 4.11Å; L102-Y106 HydrophobicContact CD2-CE1 4.01Å; L102-Y106 WeakPolarHBondContact CD2-OH 3.15Å; L102-Y106 HydrophobicContact CG-CD1 4.48Å; L102-Y106 HydrophobicContact CG-CE1 3.8Å; L102-Y106 PolarHBondContact O-N 3.04Å; V103-Y106 HydrophobicContact CG2-CD2 4.3Å; V103-Y106 WeakPolarHBondContact O-CB 3.12Å; V103-Y106 PolarHBondContact O-N 3.06Å; V103-Y106 VanDerWaalsContact O-N 3.12Å; Y106-I108 PolarHBondContact O-N 3.33Å; Y106-I108 VanDerWaalsContact O-N 3.1Å; Y106-A109 PolarHBondContact O-N 3.22Å; Y106-F110 AromaticContact CD1-CE2 3.96Å; Y106-F110 HydrophobicContact CD1-CE2 3.96Å; Y106-F110 HydrophobicContact CG-CD2 4.36Å; Y106-F110 AromaticContact CG-CE2 3.88Å; Y106-F110 HydrophobicContact CG-CE2 3.88Å; Y106-F110 WeakPolarHBondContact O-CB 3.27Å; Y106-F110 VanDerWaalsContact O-CD2 3.31Å; Y106-F110 WeakPolarHBondContact O-CD2 3.32Å; Y106-F110 PolarHBondContact O-N 2.73Å; Y106-F110 VanDerWaalsContact O-N 3.14Å; Y106-V267 HydrophobicContact CD1-CG1 4.07Å; Y106-V267 HydrophobicContact CD1-CG2 3.75Å; Y106-V267 HydrophobicContact CE1-CG1 4.46Å; Y106-V267 HydrophobicContact CE1-CG2 3.61Å; Y106-T301 HydrophobicContact CD2-CG2 4.35Å; Y106-T301 HydrophobicContact CE1-CG2 4.39Å; Y106-T301 HydrophobicContact CE2-CG2 3.67Å; Y106-L305 HydrophobicContact CE2-CD2 4Å
107C98.1Very high96.6Very high69 Ų6927.2 Ų27.247%0.46615%0.149SC..Hα-helixtrans-61.5-18178.8-67.20000113.8V103 G104 P111V103-C107 PolarHBondContact O-N 3.44Å; V103-C107 PolarHBondContact O-SG 2.91Å; V103-C107 VanDerWaalsContact O-SG 3.37Å; G104-C107 PolarHBondContact O-N 3.13Å; C107-P111 WeakPolarHBondContact O-CD 3.49Å; C107-P111 VanDerWaalsContact O-CG 3.29Å; C107-P111 WeakPolarHBondContact O-CG 3.32Å
108I98.1Very high96.7Very high76 Ų7625.8 Ų25.839%0.3914%0.142SC..Hα-helixtrans-101.6-49.4177.2-57.4169.4000110.8G105 Y106 P111 L112 I260 T264G105-I108 PolarHBondContact O-N 3.33Å; Y106-I108 PolarHBondContact O-N 3.33Å; Y106-I108 VanDerWaalsContact O-N 3.1Å; I108-P111 WeakPolarHBondContact O-CD 3.39Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 3.31Å; I108-I260 HydrophobicContact CD1-CG2 4.1Å; I108-T264 HydrophobicContact CB-CG2 3.98Å; I108-T264 HydrophobicContact CG2-CG2 3.65Å
109A97.3Very high96.8Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-67.8-41.8-172.800000113.3G105 Y106 L112 A113 T264 V267 L268G105-A109 VanDerWaalsContact O-CB 3.31Å; G105-A109 WeakPolarHBondContact O-CB 3.36Å; G105-A109 PolarHBondContact O-N 3.5Å; Y106-A109 PolarHBondContact O-N 3.22Å; A109-L112 PolarHBondContact O-N 3.48Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.41Å; A109-T264 HydrophobicContact CB-CG2 4.15Å; A109-V267 HydrophobicContact CB-CB 3.71Å; A109-V267 HydrophobicContact CB-CG1 3.5Å; A109-L268 HydrophobicContact CB-CB 4.16Å
110F97.6Very high97Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-65.6-46.2-179.5-76.4-67.1000112.6Y106 L112 A113 A114 F271 I294 N297 I298Y106-F110 AromaticContact CD1-CE2 3.96Å; Y106-F110 HydrophobicContact CD1-CE2 3.96Å; Y106-F110 HydrophobicContact CG-CD2 4.36Å; Y106-F110 AromaticContact CG-CE2 3.88Å; Y106-F110 HydrophobicContact CG-CE2 3.88Å; Y106-F110 WeakPolarHBondContact O-CB 3.27Å; Y106-F110 VanDerWaalsContact O-CD2 3.31Å; Y106-F110 WeakPolarHBondContact O-CD2 3.32Å; Y106-F110 PolarHBondContact O-N 2.73Å; Y106-F110 VanDerWaalsContact O-N 3.14Å; F110-L112 VanDerWaalsContact C-N 3.34Å; F110-L112 PolarHBondContact O-N 2.88Å; F110-A113 PolarHBondContact O-N 3.03Å; F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 2.8Å; F110-F271 HydrophobicContact CD1-CD1 4.13Å; F110-F271 HydrophobicContact CD1-CG 4.29Å; F110-F271 AromaticContact CE1-CD1 3.39Å; F110-F271 HydrophobicContact CE1-CD1 3.39Å; F110-F271 HydrophobicContact CE1-CD2 4.04Å; F110-F271 AromaticContact CE1-CE1 3.39Å; F110-F271 HydrophobicContact CE1-CE1 3.39Å; F110-F271 HydrophobicContact CE1-CE2 4.01Å; F110-F271 AromaticContact CE1-CG 3.75Å; F110-F271 HydrophobicContact CE1-CG 3.75Å; F110-F271 AromaticContact CE1-CZ 3.7Å; F110-F271 HydrophobicContact CE1-CZ 3.7Å; F110-F271 HydrophobicContact CZ-CD1 4.22Å; F110-F271 HydrophobicContact CZ-CD2 4.3Å; F110-F271 AromaticContact CZ-CE1 3.87Å; F110-F271 HydrophobicContact CZ-CE1 3.87Å; F110-F271 AromaticContact CZ-CE2 3.91Å; F110-F271 HydrophobicContact CZ-CE2 3.91Å; F110-F271 HydrophobicContact CZ-CG 4.45Å; F110-F271 AromaticContact CZ-CZ 3.68Å; F110-F271 HydrophobicContact CZ-CZ 3.68Å; F110-I294 HydrophobicContact CB-CG2 4.33Å; F110-I294 HydrophobicContact CD1-CG2 3.83Å; F110-I294 WeakPolarHBondContact CD1-O 3.48Å; F110-I294 WeakPolarHBondContact O-CG2 3.49Å; F110-N297 HydrophobicContact CD1-CB 4.08Å; F110-N297 HydrophobicContact CE1-CB 3.4Å; F110-N297 HydrophobicContact CE2-CB 4.24Å; F110-N297 HydrophobicContact CZ-CB 3.51Å; F110-I298 HydrophobicContact CB-CD1 3.89Å; F110-I298 HydrophobicContact CB-CG1 3.47Å; F110-I298 VanDerWaalsContact CB-CG1 3.47Å; F110-I298 HydrophobicContact CD2-CB 4.41Å; F110-I298 HydrophobicContact CD2-CG1 3.59Å; F110-I298 HydrophobicContact CG-CG1 3.79Å
111P98.3Very high97Very high39 Ų3922.8 Ų22.825%0.25313%0.128SC..Hα-helixtrans-60.2-40.4172.8-28.839000113.4C107 I108 A114 Y115 L295 I298C107-P111 WeakPolarHBondContact O-CD 3.49Å; C107-P111 VanDerWaalsContact O-CG 3.29Å; C107-P111 WeakPolarHBondContact O-CG 3.32Å; I108-P111 WeakPolarHBondContact O-CD 3.39Å; P111-A114 PolarHBondContact O-N 3.1Å; P111-Y115 HydrophobicContact CB-CD2 4.37Å; P111-Y115 WeakPolarHBondContact O-CB 3.24Å; P111-Y115 WeakPolarHBondContact O-CD2 3.26Å; P111-Y115 PolarHBondContact O-N 3.33Å; P111-L295 HydrophobicContact CB-CD2 4.5Å; P111-L295 HydrophobicContact CG-CD2 4.29Å; P111-I298 HydrophobicContact CG-CD1 4.05Å
112L98Very high97Very high64 Ų6422.8 Ų22.834%0.33513%0.126SC..Hα-helixtrans-59.6-50.2174.4-73.1174.7000111I108 A109 F110 A114 V116 Y117 L268I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 3.31Å; A109-L112 PolarHBondContact O-N 3.48Å; F110-L112 VanDerWaalsContact C-N 3.34Å; F110-L112 PolarHBondContact O-N 2.88Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.46Å; L112-V116 HydrophobicContact CD2-CG2 3.93Å; L112-V116 WeakPolarHBondContact O-CA 3.4Å; L112-V116 WeakPolarHBondContact O-CB 3.37Å; L112-V116 PolarHBondContact O-N 3.46Å; L112-Y117 PolarHBondContact O-N 3.29Å; L112-L268 HydrophobicContact CB-CD1 3.89Å; L112-L268 HydrophobicContact CB-CD2 4.5Å; L112-L268 HydrophobicContact CD1-CD2 4.09Å
113A97.8Very high96.9Very high2 Ų226.1 Ų26.12%0.01714%0.14CC..Iπ-helixtrans-57.3-45.1176.800000112A109 F110 Y117 M118 L268 F271 I294A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.41Å; F110-A113 PolarHBondContact O-N 3.03Å; A113-Y117 PolarHBondContact O-N 3.09Å; A113-M118 VanDerWaalsContact O-CB 3.28Å; A113-M118 WeakPolarHBondContact O-CB 3.27Å; A113-M118 PolarHBondContact O-N 2.96Å; A113-L268 HydrophobicContact CB-CD1 4.25Å; A113-F271 HydrophobicContact CB-CB 4.24Å; A113-I294 HydrophobicContact CB-CG2 4.02Å
114A98Very high96.7Very high0 Ų026 Ų260%014%0.138CC..Iπ-helixtrans-70.6-42.1-176.700000114.3F110 P111 L112 P119 R291 I294 L295F110-A114 WeakPolarHBondContact O-CB 3.46Å; F110-A114 PolarHBondContact O-N 2.8Å; P111-A114 PolarHBondContact O-N 3.1Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.46Å; A114-P119 WeakPolarHBondContact O-CD 3.34Å; A114-R291 HydrophobicContact CB-CG 4.42Å; A114-R291 WeakPolarHBondContact O-CG 3.45Å; A114-R291 PolarHBondContact O-NE 3.15Å; A114-I294 HydrophobicContact CB-CB 4.05Å; A114-I294 HydrophobicContact CB-CD1 4.34Å; A114-I294 HydrophobicContact CB-CG2 3.87Å; A114-L295 HydrophobicContact CB-CD1 4.47Å; A114-L295 HydrophobicContact CB-CD2 3.88Å; A114-L295 HydrophobicContact CB-CG 3.9Å
115Y97.4Very high96.5Very high90 Ų9034.2 Ų34.235%0.35316%0.162SC..Iπ-helixtrans-102.5-18.7-170.7-68.1-71.9000114.4P111 L295 W580 Q581P111-Y115 HydrophobicContact CB-CD2 4.37Å; P111-Y115 WeakPolarHBondContact O-CB 3.24Å; P111-Y115 WeakPolarHBondContact O-CD2 3.26Å; P111-Y115 PolarHBondContact O-N 3.33Å; Y115-L295 HydrophobicContact CE2-CD1 3.82Å; Y115-L295 HydrophobicContact CE2-CD2 4.01Å; Y115-L295 HydrophobicContact CE2-CG 4.48Å; Y115-L295 WeakPolarHBondContact OH-CD1 3.41Å; Y115-W580 PolarHBondContact O-NE1 2.94Å; Y115-Q581 PolarHBondContact O-NE2 3.04Å; Y115-Q581 VanDerWaalsContact O-NE2 3.1Å
116V97Very high96.2Very high9 Ų934.4 Ų34.46%0.05516%0.162CC..Iπ-helixtrans-103.4-60.7178.7179.60000111L112 I452 F453 A579L112-V116 HydrophobicContact CD2-CG2 3.93Å; L112-V116 WeakPolarHBondContact O-CA 3.4Å; L112-V116 WeakPolarHBondContact O-CB 3.37Å; L112-V116 PolarHBondContact O-N 3.46Å; V116-I452 HydrophobicContact CG1-CG2 4.26Å; V116-F453 HydrophobicContact CB-CZ 4.41Å; V116-F453 HydrophobicContact CG1-CE1 4.22Å; V116-F453 HydrophobicContact CG1-CE2 3.49Å; V116-F453 VanDerWaalsContact CG1-CE2 3.49Å; V116-F453 HydrophobicContact CG1-CZ 3.22Å; V116-F453 HydrophobicContact CG2-CZ 4.34Å; V116-A579 HydrophobicContact CG1-CB 4.09Å
117Y97.4Very high95.9Very high8 Ų836.2 Ų36.23%0.03117%0.172CC..Iπ-helixtrans-80.4-51.3-169.3-69.2-97.9000112.1L112 A113 P119 V120 F121 L268 G272 L445 F448 T449 I452L112-Y117 PolarHBondContact O-N 3.29Å; A113-Y117 PolarHBondContact O-N 3.09Å; Y117-P119 VanDerWaalsContact C-CD 3.41Å; Y117-V120 PolarHBondContact O-N 2.94Å; Y117-V120 VanDerWaalsContact O-N 3.08Å; Y117-F121 HydrophobicContact CD1-CE2 4.32Å; Y117-F121 WeakPolarHBondContact O-CD2 3.19Å; Y117-F121 PolarHBondContact O-N 3.08Å; Y117-L268 HydrophobicContact CD2-CD1 4.2Å; Y117-L268 HydrophobicContact CE2-CD1 3.94Å; Y117-L268 HydrophobicContact CE2-CD2 4.12Å; Y117-L268 HydrophobicContact CE2-CG 4.33Å; Y117-G272 WeakPolarHBondContact CD1-O 3.32Å; Y117-L445 HydrophobicContact CE1-CD1 4.05Å; Y117-F448 HydrophobicContact CE1-CB 4.44Å; Y117-T449 PolarHBondContact OH-OG1 2.86Å; Y117-I452 HydrophobicContact CD1-CD1 3.47Å; Y117-I452 VanDerWaalsContact CD1-CD1 3.47Å; Y117-I452 HydrophobicContact CE1-CD1 3.82Å; Y117-I452 HydrophobicContact CG-CD1 4.28Å
118M96.7Very high95.7Very high2 Ų232.9 Ų32.91%0.0115%0.15CC..Hα-helixtrans-56-41.6-174.1-163.162.4-11700114.7A113 V120 F121 Y122 Y281 L282 L287 A290 I294A113-M118 VanDerWaalsContact O-CB 3.28Å; A113-M118 WeakPolarHBondContact O-CB 3.27Å; A113-M118 PolarHBondContact O-N 2.96Å; M118-V120 PolarHBondContact O-N 3.22Å; M118-F121 HydrophobicContact CE-CB 4Å; M118-F121 PolarHBondContact O-N 3.47Å; M118-Y122 HydrophobicContact CE-CD2 4.06Å; M118-Y122 HydrophobicContact CE-CG 4.44Å; M118-Y122 VanDerWaalsContact O-CB 3.26Å; M118-Y122 WeakPolarHBondContact O-CB 3.47Å; M118-Y122 PolarHBondContact O-N 3.4Å; M118-Y281 HydrophobicContact CE-CD2 4.48Å; M118-Y281 WeakPolarHBondContact SD-CB 3.15Å; M118-Y281 HydrophobicContact SD-CD2 3.3Å; M118-Y281 WeakPolarHBondContact SD-CD2 3.4Å; M118-Y281 HydrophobicContact SD-CE2 4.42Å; M118-Y281 HydrophobicContact SD-CG 3.55Å; M118-Y281 VanDerWaalsContact SD-CG 3.55Å; M118-L282 HydrophobicContact CE-CD2 3.81Å; M118-L282 HydrophobicContact CE-CG 4.26Å; M118-L287 HydrophobicContact CG-CD1 3.97Å; M118-A290 HydrophobicContact CG-CB 4.22Å; M118-I294 HydrophobicContact CB-CD1 3.91Å; M118-I294 HydrophobicContact CG-CD1 3.84Å; M118-I294 HydrophobicContact SD-CD1 4.08Å
119P96.4Very high95.6Very high5 Ų529.3 Ų29.33%0.03213%0.132CC..Hα-helixtrans-62.8-32.2-179.9-24.337.9000113A114 Y117 K123 L287 Y610A114-P119 WeakPolarHBondContact O-CD 3.34Å; Y117-P119 VanDerWaalsContact C-CD 3.41Å; P119-K123 WeakPolarHBondContact O-CB 3.17Å; P119-K123 WeakPolarHBondContact O-CD 3.23Å; P119-K123 WeakPolarHBondContact O-CG 3.27Å; P119-K123 PolarHBondContact O-N 2.8Å; P119-L287 HydrophobicContact CB-CD2 4.25Å; P119-Y610 HydrophobicContact CB-CE1 4.31Å
120V96.2Very high95.6Very high5 Ų529.3 Ų29.33%0.0313%0.132CC..Hα-helixtrans-68.5-54.3177.4-179.30000109.3Y117 M118 Y122 L124 Y132 I452Y117-V120 PolarHBondContact O-N 2.94Å; Y117-V120 VanDerWaalsContact O-N 3.08Å; M118-V120 PolarHBondContact O-N 3.22Å; V120-Y122 PolarHBondContact O-N 2.82Å; V120-L124 HydrophobicContact CG1-CD1 4.19Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 3.14Å; V120-Y132 HydrophobicContact CG1-CD2 3.95Å; V120-Y132 HydrophobicContact CG1-CE2 3.56Å; V120-I452 HydrophobicContact CG2-CG2 4.37Å
121F96.2Very high95.5Very high1 Ų130.8 Ų30.80%0.00414%0.139CC..Hα-helixtrans-63.4-42.8-178.6-58-47.3000113Y117 M118 K123 L124 L126 Y132 G272 I278 L282 F448 I452Y117-F121 HydrophobicContact CD1-CE2 4.32Å; Y117-F121 WeakPolarHBondContact O-CD2 3.19Å; Y117-F121 PolarHBondContact O-N 3.08Å; M118-F121 HydrophobicContact CE-CB 4Å; M118-F121 PolarHBondContact O-N 3.47Å; F121-K123 PolarHBondContact O-N 3.01Å; F121-L124 PolarHBondContact O-N 2.89Å; F121-L126 HydrophobicContact CD1-CD1 4.11Å; F121-Y132 HydrophobicContact CD1-CG 4.48Å; F121-Y132 HydrophobicContact CE1-CD1 4.26Å; F121-Y132 HydrophobicContact CE1-CG 4.07Å; F121-G272 WeakPolarHBondContact CE2-O 3.12Å; F121-I278 HydrophobicContact CB-CG2 4.29Å; F121-I278 HydrophobicContact CD2-CD1 3.98Å; F121-I278 HydrophobicContact CD2-CG1 4.24Å; F121-I278 HydrophobicContact CD2-CG2 4.1Å; F121-I278 HydrophobicContact CE2-CD1 3.59Å; F121-I278 HydrophobicContact CE2-CG1 4.24Å; F121-I278 HydrophobicContact CG-CG2 4.26Å; F121-I278 HydrophobicContact CZ-CD1 4.07Å; F121-L282 HydrophobicContact CB-CD2 4.27Å; F121-F448 AromaticContact CE1-CD1 3.71Å; F121-F448 HydrophobicContact CE1-CD1 3.71Å; F121-F448 AromaticContact CE1-CE1 3.55Å; F121-F448 HydrophobicContact CE1-CE1 3.55Å; F121-F448 HydrophobicContact CE1-CZ 4.44Å; F121-F448 AromaticContact CZ-CD1 3.6Å; F121-F448 HydrophobicContact CZ-CD1 3.6Å; F121-F448 AromaticContact CZ-CE1 3.74Å; F121-F448 HydrophobicContact CZ-CE1 3.74Å; F121-F448 HydrophobicContact CZ-CG 4.21Å; F121-F448 HydrophobicContact CZ-CZ 4.43Å; F121-I452 HydrophobicContact CZ-CD1 4.28Å
122Y94.5Very high95.5Very high35 Ų3529 Ų2914%0.13713%0.127CC..Hα-helixtrans-66.1-41.8-175-162.1-84.1000112.2M118 V120 L124 R125 Y281 L282 C284 R285 D286 L287 A290M118-Y122 HydrophobicContact CE-CD2 4.06Å; M118-Y122 HydrophobicContact CE-CG 4.44Å; M118-Y122 VanDerWaalsContact O-CB 3.26Å; M118-Y122 WeakPolarHBondContact O-CB 3.47Å; M118-Y122 PolarHBondContact O-N 3.4Å; V120-Y122 PolarHBondContact O-N 2.82Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.95Å; Y122-R125 PolarHBondContact O-N 3.06Å; Y122-Y281 WeakPolarHBondContact CE2-O 3.18Å; Y122-L282 HydrophobicContact CD2-CD2 4.36Å; Y122-C284 HydrophobicContact CE2-CB 4.34Å; Y122-C284 PolarHBondContact OH-O 3.3Å; Y122-R285 PolarHBondContact OH-O 3.13Å; Y122-D286 VanDerWaalsContact CZ-C 3.44Å; Y122-D286 WeakPolarHBondContact OH-CA 3.35Å; Y122-D286 PolarHBondContact OH-N 2.92Å; Y122-L287 HydrophobicContact CD1-CB 3.76Å; Y122-L287 HydrophobicContact CD1-CD1 4.44Å; Y122-L287 HydrophobicContact CE1-CB 4.07Å; Y122-L287 HydrophobicContact CG-CB 4.13Å; Y122-L287 HydrophobicContact CG-CD1 4Å; Y122-A290 HydrophobicContact CD2-CB 4.23Å; Y122-A290 HydrophobicContact CE2-CB 4.36Å
123K92.9Very high95.4Very high76 Ų7625.9 Ų25.933%0.3311%0.111SC..Hα-helixtrans-63.4-34.4179.1-77.2178-172.5-174.80113.1P119 F121 R125 Y610P119-K123 WeakPolarHBondContact O-CB 3.17Å; P119-K123 WeakPolarHBondContact O-CD 3.23Å; P119-K123 WeakPolarHBondContact O-CG 3.27Å; P119-K123 PolarHBondContact O-N 2.8Å; F121-K123 PolarHBondContact O-N 3.01Å; K123-R125 PolarHBondContact O-N 2.84Å; K123-Y610 HydrophobicContact CD-CE2 4.49Å; K123-Y610 WeakPolarHBondContact CE-OH 3.44Å; K123-Y610 PolarHBondContact NZ-OH 2.87Å
124L93Very high95.3Very high36 Ų3628.3 Ų28.319%0.18812%0.122CC..THydrogen-bonded Turntrans-77.1-8.9-177.2-64.7171.8000113V120 F121 Y122 L126 Y132 M135 L577V120-L124 HydrophobicContact CG1-CD1 4.19Å; V120-L124 WeakPolarHBondContact O-CG 3.35Å; V120-L124 PolarHBondContact O-N 3.14Å; F121-L124 PolarHBondContact O-N 2.89Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.95Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 HydrophobicContact CB-CD1 4.24Å; L124-L126 HydrophobicContact CB-CD2 3.56Å; L124-L126 HydrophobicContact CB-CG 3.7Å; L124-L126 HydrophobicContact CD1-CD1 4.37Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-Y132 HydrophobicContact CD1-CD2 3.67Å; L124-Y132 HydrophobicContact CD1-CE2 4.38Å; L124-M135 HydrophobicContact CD1-SD 4.42Å; L124-M135 HydrophobicContact CD2-CE 4.07Å; L124-M135 HydrophobicContact CD2-SD 4.31Å; L124-L577 HydrophobicContact CD1-CD2 3.86Å; L124-L577 HydrophobicContact CD2-CD2 4.04Å
125R91.8Very high95.1Very high197 Ų19733.4 Ų33.474%0.74315%0.147SC*.THydrogen-bonded Turntrans50.145179.9-65.5-169.3169.9-169.4-1.3113.3R64 Y122 K123R64-R125 PolarHBondContact NH2-O 3.39Å; Y122-R125 PolarHBondContact O-N 3.06Å; K123-R125 PolarHBondContact O-N 2.84Å
126L91.5Very high95Very high3 Ų329.8 Ų29.82%0.01613%0.133CC..  trans-70.9152.9-178.5-50.5176.2000111.9R64 F121 L124 S128 E131 M135 L282R64-L126 PolarHBondContact NH2-O 3.17Å; F121-L126 HydrophobicContact CD1-CD1 4.11Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 HydrophobicContact CB-CD1 4.24Å; L124-L126 HydrophobicContact CB-CD2 3.56Å; L124-L126 HydrophobicContact CB-CG 3.7Å; L124-L126 HydrophobicContact CD1-CD1 4.37Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 PolarHBondContact O-N 3.41Å; L126-S128 WeakPolarHBondContact CB-O 3.47Å; L126-E131 HydrophobicContact CB-CB 4.49Å; L126-E131 HydrophobicContact CD2-CB 3.81Å; L126-E131 HydrophobicContact CG-CB 4.49Å; L126-M135 HydrophobicContact CD2-SD 4.25Å; L126-L282 HydrophobicContact CB-CD1 4.36Å
127N88.9Confident94.9Very high43 Ų4329.9 Ų29.923%0.2313%0.132CC..SBendtrans-91.4-42.7166-64.2-23.8000110.6L61 E131 Q275 N376 E380L61-N127 VanDerWaalsContact CD1-OD1 3.32Å; L61-N127 WeakPolarHBondContact CD1-OD1 3.2Å; N127-E131 WeakPolarHBondContact CB-OE1 3.49Å; N127-E131 PolarHBondContact N-OE1 3.23Å; N127-E131 VanDerWaalsContact N-OE1 3.14Å; N127-Q275 PolarHBondContact O-NE2 3.28Å; N127-N376 PolarHBondContact O-ND2 3.43Å; N127-E380 HydrophobicContact CB-CG 3.9Å
128S94.9Very high94.7Very high0 Ų030.8 Ų30.80%014%0.144CC..SBendtrans-110.5137168.5177.30000110.9L126 H130 E131 D381L126-S128 WeakPolarHBondContact CB-O 3.47Å; S128-H130 PolarHBondContact O-N 3.4Å; S128-H130 VanDerWaalsContact O-N 3.17Å; S128-H130 PolarHBondContact OG-N 2.88Å; S128-H130 PolarHBondContact OG-ND1 3.46Å; S128-E131 PolarHBondContact N-OE1 3.45Å; S128-E131 VanDerWaalsContact O-CB 3.29Å; S128-E131 WeakPolarHBondContact O-CB 3.21Å; S128-E131 PolarHBondContact O-N 3.06Å; S128-E131 VanDerWaalsContact O-N 3.12Å; S128-D381 WeakPolarHBondContact CB-OD1 3.02Å; S128-D381 VanDerWaalsContact OG-CG 3.24Å; S128-D381 PolarHBondContact OG-OD1 3.48Å; S128-D381 VanDerWaalsContact OG-OD1 3.05Å; S128-D381 PolarHBondContact OG-OD2 3.02Å
129A95.9Very high94.6Very high0 Ų035.9 Ų35.90%017%0.166CC..THydrogen-bonded Turntrans-57.7-29172.800000111.7E131 Y132 I278 F448A129-E131 VanDerWaalsContact C-N 3.25Å; A129-E131 PolarHBondContact O-N 3.33Å; A129-Y132 WeakPolarHBondContact O-CB 3.39Å; A129-Y132 PolarHBondContact O-N 3.46Å; A129-I278 HydrophobicContact CB-CB 4.26Å; A129-I278 HydrophobicContact CB-CD1 3.63Å; A129-I278 HydrophobicContact CB-CG2 3.88Å; A129-F448 HydrophobicContact CB-CZ 4.04Å; A129-F448 WeakPolarHBondContact O-CE1 3.18Å
130H97.2Very high94.6Very high0 Ų040.6 Ų40.60%019%0.19CC..THydrogen-bonded Turntrans-71.7-17-179.2-47.1132.1000113.3S128 Y132 L133 E134 R142 S146 F149 D381 F448S128-H130 PolarHBondContact O-N 3.4Å; S128-H130 VanDerWaalsContact O-N 3.17Å; S128-H130 PolarHBondContact OG-N 2.88Å; S128-H130 PolarHBondContact OG-ND1 3.46Å; H130-Y132 PolarHBondContact O-N 3.1Å; H130-L133 WeakPolarHBondContact O-CB 3.05Å; H130-L133 PolarHBondContact O-N 3.19Å; H130-E134 PolarHBondContact O-N 3.4Å; H130-R142 HydrophobicContact CB-CG 4.07Å; H130-R142 WeakPolarHBondContact O-CG 3.36Å; H130-S146 PolarHBondContact ND1-OG 3.45Å; H130-S146 VanDerWaalsContact ND1-OG 3.12Å; H130-F149 AromaticContact CE1-CD1 3.98Å; H130-F149 AromaticContact CE1-CG 3.79Å; H130-D381 WeakPolarHBondContact CB-OD2 3.43Å; H130-D381 IonicContact CE1-OD2 3.72Å; H130-D381 IonicContact CG-OD2 3.43Å; H130-D381 IonicContact ND1-OD2 3.86Å; H130-D381 PolarHBondContact ND1-OD2 2.73Å; H130-F448 AromaticContact CD2-CZ 3.91Å
131E96Very high94.6Very high32 Ų3240.4 Ų40.415%0.1519%0.189CC..Hα-helixtrans-55.7-35.1169.8-74.4169.2-134.500111.8L126 N127 S128 A129 L133 E134 M135 R142L126-E131 HydrophobicContact CB-CB 4.49Å; L126-E131 HydrophobicContact CD2-CB 3.81Å; L126-E131 HydrophobicContact CG-CB 4.49Å; N127-E131 WeakPolarHBondContact CB-OE1 3.49Å; N127-E131 PolarHBondContact N-OE1 3.23Å; N127-E131 VanDerWaalsContact N-OE1 3.14Å; S128-E131 PolarHBondContact N-OE1 3.45Å; S128-E131 VanDerWaalsContact O-CB 3.29Å; S128-E131 WeakPolarHBondContact O-CB 3.21Å; S128-E131 PolarHBondContact O-N 3.06Å; S128-E131 VanDerWaalsContact O-N 3.12Å; A129-E131 VanDerWaalsContact C-N 3.25Å; A129-E131 PolarHBondContact O-N 3.33Å; E131-L133 PolarHBondContact O-N 3.43Å; E131-E134 PolarHBondContact O-N 3.06Å; E131-E134 VanDerWaalsContact O-N 3.11Å; E131-M135 WeakPolarHBondContact O-CG 3.32Å; E131-M135 PolarHBondContact O-N 2.85Å; E131-R142 IonicContact OE1-NH2 2.83Å
132Y97.4Very high94.7Very high0 Ų041 Ų410%019%0.192CC..Hα-helixtrans-53.3-43172.6170.4-99.7000112.1V120 F121 L124 A129 H130 E134 M135 R136 F448 G451 I452 L577V120-Y132 HydrophobicContact CG1-CD2 3.95Å; V120-Y132 HydrophobicContact CG1-CE2 3.56Å; F121-Y132 HydrophobicContact CD1-CG 4.48Å; F121-Y132 HydrophobicContact CE1-CD1 4.26Å; F121-Y132 HydrophobicContact CE1-CG 4.07Å; L124-Y132 HydrophobicContact CD1-CD2 3.67Å; L124-Y132 HydrophobicContact CD1-CE2 4.38Å; A129-Y132 WeakPolarHBondContact O-CB 3.39Å; A129-Y132 PolarHBondContact O-N 3.46Å; H130-Y132 PolarHBondContact O-N 3.1Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.27Å; Y132-M135 PolarHBondContact O-N 3.16Å; Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 3.34Å; Y132-F448 AromaticContact CD1-CD1 3.53Å; Y132-F448 HydrophobicContact CD1-CD1 3.53Å; Y132-F448 AromaticContact CD1-CE1 3.62Å; Y132-F448 HydrophobicContact CD1-CE1 3.62Å; Y132-F448 AromaticContact CE1-CD1 3.97Å; Y132-F448 HydrophobicContact CE1-CD1 3.97Å; Y132-F448 HydrophobicContact CE1-CE1 4.5Å; Y132-F448 HydrophobicContact CG-CD1 4.47Å; Y132-F448 HydrophobicContact CG-CE1 4.27Å; Y132-G451 PolarHBondContact OH-O 3.23Å; Y132-I452 HydrophobicContact CE1-CG1 4.05Å; Y132-I452 HydrophobicContact CE2-CG1 4.47Å; Y132-I452 VanDerWaalsContact OH-CA 3.3Å; Y132-I452 WeakPolarHBondContact OH-CA 3.35Å; Y132-I452 WeakPolarHBondContact OH-CG1 3.31Å; Y132-I452 PolarHBondContact OH-N 3.1Å; Y132-I452 VanDerWaalsContact OH-N 3.07Å; Y132-L577 HydrophobicContact CD2-CD2 4.22Å; Y132-L577 HydrophobicContact CE2-CB 4Å; Y132-L577 HydrophobicContact CE2-CD2 4.15Å; Y132-L577 VanDerWaalsContact CE2-O 3.24Å; Y132-L577 WeakPolarHBondContact CE2-O 3.37Å; Y132-L577 PolarHBondContact OH-O 3.48Å
133L97.3Very high94.8Very high0 Ų043.1 Ų43.10%020%0.199CC..Hα-helixtrans-70.6-29.1-177.9-62.6174.7000111.7H130 E131 R136 F137 G138 V141 T145 V447 F448H130-L133 WeakPolarHBondContact O-CB 3.05Å; H130-L133 PolarHBondContact O-N 3.19Å; E131-L133 PolarHBondContact O-N 3.43Å; L133-R136 PolarHBondContact O-N 3.41Å; L133-F137 HydrophobicContact CD2-CD2 4.11Å; L133-F137 HydrophobicContact CD2-CE2 4.3Å; L133-F137 WeakPolarHBondContact O-CA 3.29Å; L133-F137 PolarHBondContact O-N 2.98Å; L133-G138 PolarHBondContact O-N 3.38Å; L133-V141 HydrophobicContact CB-CG1 4.16Å; L133-V141 HydrophobicContact CD1-CG1 4.38Å; L133-T145 HydrophobicContact CD1-CG2 3.64Å; L133-T145 VanDerWaalsContact CD1-OG1 3.23Å; L133-T145 WeakPolarHBondContact CD1-OG1 3.27Å; L133-V447 HydrophobicContact CD1-CG1 3.92Å; L133-V447 HydrophobicContact CD2-CG1 4.29Å; L133-V447 HydrophobicContact CD2-CG2 4.16Å; L133-F448 HydrophobicContact CD1-CE1 4.14Å; L133-F448 HydrophobicContact CD1-CE2 4.28Å; L133-F448 HydrophobicContact CD1-CZ 3.98Å; L133-F448 HydrophobicContact CD2-CD1 3.95Å; L133-F448 HydrophobicContact CD2-CE1 4.08Å; L133-F448 HydrophobicContact CD2-CG 4.47Å; L133-F448 HydrophobicContact CG-CD1 4.21Å; L133-F448 HydrophobicContact CG-CE1 3.81Å; L133-F448 HydrophobicContact CG-CZ 4.14Å
134E95.6Very high95Very high53 Ų5341.3 Ų41.325%0.24820%0.195CC..Hα-helixtrans-67.6-44.4169.5175.7173.5-175.800111.4H130 E131 Y132 R136 G138 K139 R142H130-E134 PolarHBondContact O-N 3.4Å; E131-E134 PolarHBondContact O-N 3.06Å; E131-E134 VanDerWaalsContact O-N 3.11Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.27Å; E134-R136 PolarHBondContact O-N 3.35Å; E134-G138 WeakPolarHBondContact CA-O 3.34Å; E134-G138 WeakPolarHBondContact O-CA 3.49Å; E134-G138 PolarHBondContact O-N 3.29Å; E134-K139 HydrophobicContact CG-CG 3.99Å; E134-K139 WeakPolarHBondContact OE1-CE 3.27Å; E134-K139 WeakPolarHBondContact OE1-CG 3.19Å; E134-R142 HydrophobicContact CB-CB 3.88Å; E134-R142 HydrophobicContact CB-CG 4.36Å; E134-R142 WeakPolarHBondContact OE2-CD 3.38Å; E134-R142 IonicContact OE2-CZ 2.82Å; E134-R142 IonicContact OE2-NE 2.65Å; E134-R142 IonicContact OE2-NH1 3.97Å; E134-R142 PolarHBondContact OE2-NH1 3.35Å
135M93.8Very high95.2Very high107 Ų10739.6 Ų39.653%0.52719%0.186SC..Hα-helixtrans-63.1-30.6176.8-60.317880.400112.2L124 L126 E131 Y132 L577L124-M135 HydrophobicContact CD1-SD 4.42Å; L124-M135 HydrophobicContact CD2-CE 4.07Å; L124-M135 HydrophobicContact CD2-SD 4.31Å; L126-M135 HydrophobicContact CD2-SD 4.25Å; E131-M135 WeakPolarHBondContact O-CG 3.32Å; E131-M135 PolarHBondContact O-N 2.85Å; Y132-M135 PolarHBondContact O-N 3.16Å; M135-L577 HydrophobicContact CB-CD1 4.18Å; M135-L577 HydrophobicContact CB-CD2 3.82Å; M135-L577 HydrophobicContact CE-CD2 4.2Å; M135-L577 WeakPolarHBondContact O-CD1 3.32Å; M135-L577 HydrophobicContact SD-CD2 4.26Å
136R94.7Very high95.5Very high14 Ų1430.2 Ų30.25%0.05315%0.15CC..Hα-helixtrans-92-40.1-175.8-178.559.4-17283.9-0114.5Y132 L133 E134 G451 F454 P455 I457 L577Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 3.34Å; L133-R136 PolarHBondContact O-N 3.41Å; E134-R136 PolarHBondContact O-N 3.35Å; R136-G451 PolarHBondContact NE-O 2.7Å; R136-F454 PolarHBondContact NH2-O 2.8Å; R136-P455 PolarHBondContact NH2-O 3.32Å; R136-I457 VanDerWaalsContact CZ-O 3.3Å; R136-I457 PolarHBondContact NH1-O 3.32Å; R136-I457 PolarHBondContact NH2-O 3.49Å; R136-L577 HydrophobicContact CB-CD1 4.44Å
137F95.1Very high95.7Very high11 Ų1134.6 Ų34.65%0.04817%0.173CC..Hα-helixtrans-133.1-5.2-170.4-61.1-59.6000113.6L133 V141 V447 V450 G451 I457 N458 A459L133-F137 HydrophobicContact CD2-CD2 4.11Å; L133-F137 HydrophobicContact CD2-CE2 4.3Å; L133-F137 WeakPolarHBondContact O-CA 3.29Å; L133-F137 PolarHBondContact O-N 2.98Å; F137-V141 HydrophobicContact CB-CB 3.9Å; F137-V141 HydrophobicContact CB-CG1 4.23Å; F137-V141 HydrophobicContact CB-CG2 3.62Å; F137-V141 HydrophobicContact CD2-CG1 4.23Å; F137-V141 HydrophobicContact CG-CG2 4.49Å; F137-V447 HydrophobicContact CD2-CG2 4.43Å; F137-V447 HydrophobicContact CE2-CG2 4.25Å; F137-V450 HydrophobicContact CZ-CG1 4.1Å; F137-G451 VanDerWaalsContact CZ-CA 3.49Å; F137-I457 HydrophobicContact CE1-CG2 3.97Å; F137-I457 WeakPolarHBondContact CE1-O 3.39Å; F137-I457 HydrophobicContact CZ-CG2 4.33Å; F137-N458 VanDerWaalsContact CD1-O 3.29Å; F137-N458 WeakPolarHBondContact CD1-O 3.17Å; F137-N458 WeakPolarHBondContact CE1-O 3.44Å; F137-A459 WeakPolarHBondContact O-CB 3.35Å
138G93.5Very high96.1Very high27 Ų2733.5 Ų33.528%0.27817%0.168SC..  trans93.4173.2179.300000115L133 E134 L140 V141 R142L133-G138 PolarHBondContact O-N 3.38Å; E134-G138 WeakPolarHBondContact CA-O 3.34Å; E134-G138 WeakPolarHBondContact O-CA 3.49Å; E134-G138 PolarHBondContact O-N 3.29Å; G138-L140 VanDerWaalsContact C-N 3.31Å; G138-L140 PolarHBondContact O-N 3.13Å; G138-V141 PolarHBondContact O-N 3.31Å; G138-R142 PolarHBondContact O-N 3.39Å
139K94.4Very high96.1Very high109 Ų10933.5 Ų33.547%0.47417%0.168SC..Hα-helixtrans-57.8-37.7-168.7-70.4178-178.1-178.30114.2E134 V141 R142 W143E134-K139 HydrophobicContact CG-CG 3.99Å; E134-K139 WeakPolarHBondContact OE1-CE 3.27Å; E134-K139 WeakPolarHBondContact OE1-CG 3.19Å; K139-V141 PolarHBondContact O-N 2.81Å; K139-R142 WeakPolarHBondContact O-CB 3.42Å; K139-R142 PolarHBondContact O-N 3.25Å; K139-W143 PolarHBondContact O-N 3.1Å
140L95.7Very high96.2Very high103 Ų10334 Ų3454%0.53917%0.171SC..Hα-helixtrans-62.1-45.7-176.4-173.558.6000111.2G138 R142 W143 T144 L463G138-L140 VanDerWaalsContact C-N 3.31Å; G138-L140 PolarHBondContact O-N 3.13Å; L140-R142 VanDerWaalsContact C-N 3.34Å; L140-R142 PolarHBondContact O-N 2.87Å; L140-W143 PolarHBondContact O-N 3.33Å; L140-T144 PolarHBondContact O-N 3.16Å; L140-T144 PolarHBondContact O-OG1 3.09Å; L140-L463 HydrophobicContact CD2-CD2 3.53Å; L140-L463 HydrophobicContact CG-CD1 4.25Å; L140-L463 HydrophobicContact CG-CD2 4.05Å
141V96.9Very high96Very high2 Ų239 Ų391%0.01220%0.197CC..Hα-helixtrans-65.2-39.4178.2-176.40000111.3L133 F137 G138 K139 T145 V447 L463L133-V141 HydrophobicContact CB-CG1 4.16Å; L133-V141 HydrophobicContact CD1-CG1 4.38Å; F137-V141 HydrophobicContact CB-CB 3.9Å; F137-V141 HydrophobicContact CB-CG1 4.23Å; F137-V141 HydrophobicContact CB-CG2 3.62Å; F137-V141 HydrophobicContact CD2-CG1 4.23Å; F137-V141 HydrophobicContact CG-CG2 4.49Å; G138-V141 PolarHBondContact O-N 3.31Å; K139-V141 PolarHBondContact O-N 2.81Å; V141-T145 WeakPolarHBondContact O-CB 3.35Å; V141-T145 PolarHBondContact O-N 3.09Å; V141-T145 PolarHBondContact O-OG1 2.93Å; V141-V447 HydrophobicContact CG1-CG2 3.87Å; V141-L463 HydrophobicContact CG2-CB 3.9Å; V141-L463 HydrophobicContact CG2-CD1 4.3Å
142R96.8Very high95.9Very high14 Ų1437.5 Ų37.55%0.05319%0.19CC..Hα-helixtrans-57.3-56.1172.6175.4175.8-176.7-174.61.4110.9H130 E131 E134 G138 K139 L140 T144 T145 S146 E380 D381H130-R142 HydrophobicContact CB-CG 4.07Å; H130-R142 WeakPolarHBondContact O-CG 3.36Å; E131-R142 IonicContact OE1-NH2 2.83Å; E134-R142 HydrophobicContact CB-CB 3.88Å; E134-R142 HydrophobicContact CB-CG 4.36Å; E134-R142 WeakPolarHBondContact OE2-CD 3.38Å; E134-R142 IonicContact OE2-CZ 2.82Å; E134-R142 IonicContact OE2-NE 2.65Å; E134-R142 IonicContact OE2-NH1 3.97Å; E134-R142 PolarHBondContact OE2-NH1 3.35Å; G138-R142 PolarHBondContact O-N 3.39Å; K139-R142 WeakPolarHBondContact O-CB 3.42Å; K139-R142 PolarHBondContact O-N 3.25Å; L140-R142 VanDerWaalsContact C-N 3.34Å; L140-R142 PolarHBondContact O-N 2.87Å; R142-T144 PolarHBondContact O-N 3.28Å; R142-T145 PolarHBondContact O-N 3.39Å; R142-S146 WeakPolarHBondContact O-CB 3.26Å; R142-S146 PolarHBondContact O-N 2.86Å; R142-S146 PolarHBondContact O-OG 2.91Å; R142-E380 VanDerWaalsContact NH2-C 3.34Å; R142-E380 PolarHBondContact NH2-O 3.04Å; R142-D381 IonicContact CZ-OD1 3.69Å; R142-D381 IonicContact NE-OD1 3.51Å; R142-D381 PolarHBondContact NE-OD1 3.39Å; R142-D381 IonicContact NH2-OD1 2.95Å; R142-D381 PolarHBondContact NH2-OD1 3.26Å
143W96.7Very high95.7Very high79 Ų7937.7 Ų37.730%0.29919%0.191SC..Hα-helixtrans-60.9-43.6-177.3-69.2-11.9000113.1K139 L140 S146 L147 D381 P385 L386K139-W143 PolarHBondContact O-N 3.1Å; L140-W143 PolarHBondContact O-N 3.33Å; W143-S146 PolarHBondContact O-N 3.16Å; W143-L147 WeakPolarHBondContact O-CB 3.38Å; W143-L147 PolarHBondContact O-N 3.16Å; W143-D381 PolarHBondContact NE1-O 3.08Å; W143-D381 VanDerWaalsContact NE1-O 3.12Å; W143-P385 HydrophobicContact CZ2-CB 4.37Å; W143-L386 HydrophobicContact CH2-CD2 4.05Å; W143-L386 HydrophobicContact CZ2-CD2 4.18Å
144T97.3Very high95.6Very high37 Ų3739.1 Ų39.123%0.22720%0.198CC..Hα-helixtrans-63.5-43.3177.2-52.60000111.1L140 R142 L147 V148 L463 L466L140-T144 PolarHBondContact O-N 3.16Å; L140-T144 PolarHBondContact O-OG1 3.09Å; R142-T144 PolarHBondContact O-N 3.28Å; T144-L147 PolarHBondContact O-N 2.91Å; T144-V148 VanDerWaalsContact O-CG2 3.23Å; T144-V148 WeakPolarHBondContact O-CG2 3.35Å; T144-V148 PolarHBondContact O-N 3.3Å; T144-L463 HydrophobicContact CG2-CD1 4.43Å; T144-L466 HydrophobicContact CG2-CD2 3.64Å
145T97.9Very high95.4Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-64.2-45.6177.9-52.10000111.3L133 V141 R142 L147 V148 F149 I444 L466L133-T145 HydrophobicContact CD1-CG2 3.64Å; L133-T145 VanDerWaalsContact CD1-OG1 3.23Å; L133-T145 WeakPolarHBondContact CD1-OG1 3.27Å; V141-T145 WeakPolarHBondContact O-CB 3.35Å; V141-T145 PolarHBondContact O-N 3.09Å; V141-T145 PolarHBondContact O-OG1 2.93Å; R142-T145 PolarHBondContact O-N 3.39Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 3.29Å; T145-V148 PolarHBondContact O-N 3.25Å; T145-F149 WeakPolarHBondContact O-CB 3.05Å; T145-F149 PolarHBondContact O-N 3.29Å; T145-I444 HydrophobicContact CG2-CG1 4.11Å; T145-I444 HydrophobicContact CG2-CG2 4Å; T145-L466 VanDerWaalsContact OG1-CD2 3.28Å; T145-L466 WeakPolarHBondContact OG1-CD2 3.33Å
146S97.5Very high95.3Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-60.2-42.7177.4-58.60000111.6H130 R142 W143 F149 L150 D381H130-S146 PolarHBondContact ND1-OG 3.45Å; H130-S146 VanDerWaalsContact ND1-OG 3.12Å; R142-S146 WeakPolarHBondContact O-CB 3.26Å; R142-S146 PolarHBondContact O-N 2.86Å; R142-S146 PolarHBondContact O-OG 2.91Å; W143-S146 PolarHBondContact O-N 3.16Å; S146-F149 PolarHBondContact O-N 3.34Å; S146-L150 WeakPolarHBondContact O-CB 3.36Å; S146-L150 WeakPolarHBondContact O-CG 3.27Å; S146-L150 PolarHBondContact O-N 3.02Å; S146-D381 WeakPolarHBondContact OG-CB 3.26Å; S146-D381 PolarHBondContact OG-OD2 3.36Å
147L96.8Very high95.2Very high95 Ų9534 Ų3450%0.49718%0.176SC..Hα-helixtrans-63.4-45.7177-178.862.8000111.9W143 T144 T145 F149 L150 L151W143-L147 WeakPolarHBondContact O-CB 3.38Å; W143-L147 PolarHBondContact O-N 3.16Å; T144-L147 PolarHBondContact O-N 2.91Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 3.29Å; L147-F149 VanDerWaalsContact C-N 3.33Å; L147-F149 PolarHBondContact O-N 3.41Å; L147-L150 PolarHBondContact O-N 2.97Å; L147-L151 HydrophobicContact CD1-CD1 4.38Å; L147-L151 HydrophobicContact CD1-CG 4.44Å; L147-L151 HydrophobicContact CG-CD1 4.22Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 2.62Å
148V96.4Very high95.1Very high20 Ų2033.5 Ų33.512%0.12117%0.174CC..Hα-helixtrans-59.8-44.6176.8171.50000110.8T144 T145 Q152 I440 I444 V470T144-V148 VanDerWaalsContact O-CG2 3.23Å; T144-V148 WeakPolarHBondContact O-CG2 3.35Å; T144-V148 PolarHBondContact O-N 3.3Å; T145-V148 PolarHBondContact O-N 3.25Å; V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 PolarHBondContact O-N 2.96Å; V148-I440 HydrophobicContact CG1-CG2 3.31Å; V148-I444 HydrophobicContact CG1-CD1 4.22Å; V148-I444 HydrophobicContact CG1-CG1 4.25Å; V148-V470 HydrophobicContact CG1-CG2 3.94Å; V148-V470 HydrophobicContact CG2-CG2 4.05Å
149F96.3Very high94.8Very high1 Ų132.3 Ų32.30%0.00416%0.161CC..Hα-helixtrans-60.9-47.2175170.2-93.9000112.4H130 T145 S146 L147 L151 Q152 M153 Q275 T276 L374 V377 I444H130-F149 AromaticContact CE1-CD1 3.98Å; H130-F149 AromaticContact CE1-CG 3.79Å; T145-F149 WeakPolarHBondContact O-CB 3.05Å; T145-F149 PolarHBondContact O-N 3.29Å; S146-F149 PolarHBondContact O-N 3.34Å; L147-F149 VanDerWaalsContact C-N 3.33Å; L147-F149 PolarHBondContact O-N 3.41Å; F149-L151 PolarHBondContact O-N 3.01Å; F149-Q152 PolarHBondContact O-N 2.96Å; F149-M153 HydrophobicContact CD1-CG 4.44Å; F149-M153 HydrophobicContact CD2-CG 3.9Å; F149-M153 HydrophobicContact CE1-CB 4.47Å; F149-M153 HydrophobicContact CE1-CG 3.98Å; F149-M153 HydrophobicContact CE2-CG 3.36Å; F149-M153 HydrophobicContact CE2-SD 4.21Å; F149-M153 HydrophobicContact CG-CG 4.41Å; F149-M153 HydrophobicContact CZ-CB 4.32Å; F149-M153 HydrophobicContact CZ-CG 3.41Å; F149-M153 VanDerWaalsContact CZ-CG 3.41Å; F149-M153 HydrophobicContact CZ-SD 4.47Å; F149-M153 WeakPolarHBondContact O-CB 3.5Å; F149-M153 WeakPolarHBondContact O-CG 3.42Å; F149-M153 PolarHBondContact O-N 3.44Å; F149-Q275 HydrophobicContact CD2-CB 4.38Å; F149-Q275 HydrophobicContact CE1-CB 4.11Å; F149-Q275 HydrophobicContact CE2-CB 3.69Å; F149-Q275 HydrophobicContact CZ-CB 3.53Å; F149-Q275 HydrophobicContact CZ-CG 4.29Å; F149-T276 HydrophobicContact CZ-CG2 4.48Å; F149-L374 HydrophobicContact CE1-CD2 4.41Å; F149-V377 HydrophobicContact CD1-CB 4.21Å; F149-V377 HydrophobicContact CD1-CG1 3.95Å; F149-V377 HydrophobicContact CD1-CG2 3.96Å; F149-V377 HydrophobicContact CE1-CB 4.15Å; F149-V377 HydrophobicContact CE1-CG1 4.4Å; F149-V377 HydrophobicContact CE1-CG2 3.75Å; F149-I444 HydrophobicContact CB-CD1 3.95Å
150L96.9Very high94.6Very high11 Ų1127.1 Ų27.16%0.05814%0.139CC..Hα-helixtrans-59.3-47.9-179.6-72.7171.7000110.7S146 L147 Q152 M153 I154 L374 V377 C378 L382 F411S146-L150 WeakPolarHBondContact O-CB 3.36Å; S146-L150 WeakPolarHBondContact O-CG 3.27Å; S146-L150 PolarHBondContact O-N 3.02Å; L147-L150 PolarHBondContact O-N 2.97Å; L150-Q152 PolarHBondContact O-N 3.28Å; L150-M153 PolarHBondContact O-N 3.07Å; L150-I154 WeakPolarHBondContact O-CB 3.18Å; L150-I154 WeakPolarHBondContact O-CD1 3.45Å; L150-I154 WeakPolarHBondContact O-CG1 3.42Å; L150-I154 PolarHBondContact O-N 3.15Å; L150-L374 HydrophobicContact CB-CD2 4.28Å; L150-L374 HydrophobicContact CD2-CB 4.32Å; L150-L374 HydrophobicContact CD2-CD2 3.42Å; L150-L374 VanDerWaalsContact CD2-CD2 3.42Å; L150-L374 HydrophobicContact CD2-CG 4.48Å; L150-L374 HydrophobicContact CG-CD2 4.4Å; L150-V377 HydrophobicContact CD1-CG1 4.4Å; L150-V377 HydrophobicContact CD2-CB 4.25Å; L150-V377 HydrophobicContact CD2-CG1 3.89Å; L150-V377 HydrophobicContact CG-CG1 3.95Å; L150-C378 HydrophobicContact CD2-CB 4.35Å; L150-L382 HydrophobicContact CD1-CD1 3.46Å; L150-L382 VanDerWaalsContact CD1-CD1 3.46Å; L150-L382 HydrophobicContact CD1-CG 4.46Å; L150-F411 HydrophobicContact CD2-CZ 4.26Å
151L94.1Very high94.4Very high104 Ų10422.3 Ų22.355%0.54511%0.113SC..Hα-helixtrans-60.4-46.7178.8-70.9171.2000111.8L147 F149 V155L147-L151 HydrophobicContact CD1-CD1 4.38Å; L147-L151 HydrophobicContact CD1-CG 4.44Å; L147-L151 HydrophobicContact CG-CD1 4.22Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 2.62Å; F149-L151 PolarHBondContact O-N 3.01Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 3.06Å
152Q93.3Very high94.1Very high1 Ų122.5 Ų22.51%0.00511%0.114CC..Hα-helixtrans-58.2-50.5176.2-179.2-173.5-0.500111.6V148 F149 L150 V155 Y156 L436 I440V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 PolarHBondContact O-N 2.96Å; F149-Q152 PolarHBondContact O-N 2.96Å; L150-Q152 PolarHBondContact O-N 3.28Å; Q152-V155 PolarHBondContact O-N 2.95Å; Q152-Y156 WeakPolarHBondContact O-CB 3.31Å; Q152-Y156 PolarHBondContact O-N 3.27Å; Q152-L436 PolarHBondContact NE2-O 3.46Å; Q152-I440 HydrophobicContact CB-CB 4.1Å; Q152-I440 HydrophobicContact CB-CD1 4.04Å; Q152-I440 HydrophobicContact CB-CG2 3.72Å; Q152-I440 HydrophobicContact CG-CB 3.94Å; Q152-I440 HydrophobicContact CG-CD1 4.18Å; Q152-I440 HydrophobicContact CG-CG2 4.09Å
153M93.8Very high93.6Very high4 Ų422.3 Ų22.32%0.0212%0.115CC..Hα-helixtrans-70.6-37.7-171.5-79.5-57.5-57.400112.5F149 L150 V155 Y156 I157 T276 L374F149-M153 HydrophobicContact CD1-CG 4.44Å; F149-M153 HydrophobicContact CD2-CG 3.9Å; F149-M153 HydrophobicContact CE1-CB 4.47Å; F149-M153 HydrophobicContact CE1-CG 3.98Å; F149-M153 HydrophobicContact CE2-CG 3.36Å; F149-M153 HydrophobicContact CE2-SD 4.21Å; F149-M153 HydrophobicContact CG-CG 4.41Å; F149-M153 HydrophobicContact CZ-CB 4.32Å; F149-M153 HydrophobicContact CZ-CG 3.41Å; F149-M153 VanDerWaalsContact CZ-CG 3.41Å; F149-M153 HydrophobicContact CZ-SD 4.47Å; F149-M153 WeakPolarHBondContact O-CB 3.5Å; F149-M153 WeakPolarHBondContact O-CG 3.42Å; F149-M153 PolarHBondContact O-N 3.44Å; L150-M153 PolarHBondContact O-N 3.07Å; M153-V155 PolarHBondContact O-N 3.36Å; M153-Y156 HydrophobicContact CE-CD1 4.14Å; M153-Y156 PolarHBondContact O-N 3.02Å; M153-Y156 HydrophobicContact SD-CD1 4.21Å; M153-I157 HydrophobicContact CE-CG2 3.82Å; M153-I157 VanDerWaalsContact O-CG1 3.28Å; M153-I157 WeakPolarHBondContact O-CG1 3.49Å; M153-I157 PolarHBondContact O-N 2.87Å; M153-T276 HydrophobicContact CE-CG2 3.55Å; M153-T276 HydrophobicContact SD-CG2 4.27Å; M153-L374 HydrophobicContact CB-CD1 4.46Å; M153-L374 HydrophobicContact CB-CD2 3.63Å; M153-L374 HydrophobicContact CB-CG 4.1Å
154I94.6Very high93.1Very high29 Ų2918.6 Ų18.615%0.14910%0.101CC..Hα-helixtrans-57.9-48.4174.7-71.4162.4000110.5L150 A158 L374 F411 L414 L418L150-I154 WeakPolarHBondContact O-CB 3.18Å; L150-I154 WeakPolarHBondContact O-CD1 3.45Å; L150-I154 WeakPolarHBondContact O-CG1 3.42Å; L150-I154 PolarHBondContact O-N 3.15Å; I154-A158 WeakPolarHBondContact O-CB 3.24Å; I154-A158 PolarHBondContact O-N 3.5Å; I154-L374 HydrophobicContact CG1-CD1 3.88Å; I154-L374 HydrophobicContact CG1-CD2 4.01Å; I154-F411 HydrophobicContact CD1-CD1 4.3Å; I154-F411 HydrophobicContact CD1-CE1 3.91Å; I154-F411 HydrophobicContact CG1-CD1 4.22Å; I154-F411 HydrophobicContact CG1-CE1 4.28Å; I154-L414 HydrophobicContact CD1-CD2 4.02Å; I154-L414 HydrophobicContact CG1-CD2 4.28Å; I154-L414 HydrophobicContact CG2-CD2 3.98Å; I154-L414 HydrophobicContact CG2-CG 4.28Å; I154-L418 HydrophobicContact CG2-CD2 3.76Å
155V91.4Very high92.8Very high50 Ų5016.9 Ų16.930%0.3039%0.091SC..Hα-helixtrans-64.6-47.1178.81740000110.5L151 Q152 M153 A158 L159 F422 L436L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 3.06Å; Q152-V155 PolarHBondContact O-N 2.95Å; M153-V155 PolarHBondContact O-N 3.36Å; V155-A158 PolarHBondContact O-N 3.18Å; V155-L159 HydrophobicContact CG1-CD1 3.92Å; V155-L159 HydrophobicContact CG1-CG 4.46Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.48Å; V155-F422 HydrophobicContact CG1-CZ 4.19Å; V155-L436 HydrophobicContact CG1-CD1 3.71Å
156Y90.8Very high92.3Very high18 Ų1817.9 Ų17.97%0.07110%0.096CC..Hα-helixtrans-61.8-48.9-176.6171.9-114.5000112.9Q152 M153 A158 L159 A160 T366 F437Q152-Y156 WeakPolarHBondContact O-CB 3.31Å; Q152-Y156 PolarHBondContact O-N 3.27Å; M153-Y156 HydrophobicContact CE-CD1 4.14Å; M153-Y156 PolarHBondContact O-N 3.02Å; M153-Y156 HydrophobicContact SD-CD1 4.21Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.44Å; Y156-L159 PolarHBondContact O-N 3.35Å; Y156-A160 WeakPolarHBondContact O-CB 3.38Å; Y156-A160 PolarHBondContact O-N 3.33Å; Y156-T366 HydrophobicContact CD1-CG2 4.35Å; Y156-T366 HydrophobicContact CE1-CG2 3.42Å; Y156-T366 VanDerWaalsContact CE1-CG2 3.42Å; Y156-F437 AromaticContact CD1-CE2 3.98Å; Y156-F437 HydrophobicContact CD1-CE2 3.98Å; Y156-F437 AromaticContact CD1-CZ 3.78Å; Y156-F437 HydrophobicContact CD1-CZ 3.78Å; Y156-F437 AromaticContact CD2-CE2 3.76Å; Y156-F437 HydrophobicContact CD2-CE2 3.76Å; Y156-F437 HydrophobicContact CD2-CZ 4.39Å; Y156-F437 AromaticContact CE1-CE2 3.71Å; Y156-F437 HydrophobicContact CE1-CE2 3.71Å; Y156-F437 AromaticContact CE1-CZ 3.6Å; Y156-F437 HydrophobicContact CE1-CZ 3.6Å; Y156-F437 HydrophobicContact CE2-CD2 4.39Å; Y156-F437 AromaticContact CE2-CE2 3.5Å; Y156-F437 HydrophobicContact CE2-CE2 3.5Å; Y156-F437 HydrophobicContact CE2-CZ 4.26Å; Y156-F437 AromaticContact CG-CE2 4Å; Y156-F437 HydrophobicContact CG-CE2 4Å; Y156-F437 HydrophobicContact CG-CZ 4.18Å; Y156-F437 AromaticContact CZ-CE2 3.46Å; Y156-F437 VanDerWaalsContact CZ-CE2 3.46Å; Y156-F437 AromaticContact CZ-CZ 3.86Å
157I92.4Very high91.6Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-69.8-28.9-177.665.7-175000112.8M153 A160 L161 V367 I371 L374 T415M153-I157 HydrophobicContact CE-CG2 3.82Å; M153-I157 VanDerWaalsContact O-CG1 3.28Å; M153-I157 WeakPolarHBondContact O-CG1 3.49Å; M153-I157 PolarHBondContact O-N 2.87Å; I157-A160 PolarHBondContact O-N 3.08Å; I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 PolarHBondContact O-N 3.32Å; I157-V367 HydrophobicContact CB-CG2 4.49Å; I157-I371 HydrophobicContact CD1-CG1 4.27Å; I157-L374 HydrophobicContact CD1-CD1 3.56Å; I157-T415 HydrophobicContact CB-CG2 4.34Å; I157-T415 HydrophobicContact CD1-CG2 4.2Å; I157-T415 WeakPolarHBondContact CD1-OG1 3.35Å; I157-T415 HydrophobicContact CG1-CG2 3.74Å; I157-T415 WeakPolarHBondContact CG1-OG1 3.42Å
158A92.8Very high91Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-67.7-40.9171.300000111.9I154 V155 Y156 L161 Y162 T415 L418 F422I154-A158 WeakPolarHBondContact O-CB 3.24Å; I154-A158 PolarHBondContact O-N 3.5Å; V155-A158 PolarHBondContact O-N 3.18Å; Y156-A158 VanDerWaalsContact C-N 3.3Å; Y156-A158 PolarHBondContact O-N 3.44Å; A158-L161 PolarHBondContact O-N 3.44Å; A158-Y162 WeakPolarHBondContact O-CB 3.32Å; A158-Y162 PolarHBondContact O-N 3.35Å; A158-T415 HydrophobicContact CB-CG2 4.43Å; A158-L418 HydrophobicContact CB-CB 3.77Å; A158-L418 HydrophobicContact CB-CD2 3.82Å; A158-L418 HydrophobicContact CB-CG 3.92Å; A158-F422 HydrophobicContact CB-CD2 4.12Å; A158-F422 HydrophobicContact CB-CE2 3.71Å
159L89.1Confident90.6Very high2 Ų213.5 Ų13.51%0.017%0.074CC..Hα-helixtrans-65.3-40.1172.7-67.1169.3000111.8V155 Y156 L161 Y162 A163 F422 I429 I432 L436V155-L159 HydrophobicContact CG1-CD1 3.92Å; V155-L159 HydrophobicContact CG1-CG 4.46Å; V155-L159 WeakPolarHBondContact O-CG 3.44Å; V155-L159 PolarHBondContact O-N 3.48Å; Y156-L159 PolarHBondContact O-N 3.35Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.15Å; L159-Y162 PolarHBondContact O-N 3.44Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.33Å; L159-F422 HydrophobicContact CD2-CD1 3.89Å; L159-F422 HydrophobicContact CD2-CD2 3.63Å; L159-F422 HydrophobicContact CD2-CE1 3.78Å; L159-F422 HydrophobicContact CD2-CE2 3.48Å; L159-F422 VanDerWaalsContact CD2-CE2 3.48Å; L159-F422 HydrophobicContact CD2-CG 3.86Å; L159-F422 HydrophobicContact CD2-CZ 3.58Å; L159-F422 HydrophobicContact CG-CD2 4.14Å; L159-F422 HydrophobicContact CG-CE2 3.61Å; L159-F422 HydrophobicContact CG-CZ 3.85Å; L159-I429 HydrophobicContact CB-CG2 4.38Å; L159-I429 HydrophobicContact CD2-CB 4.32Å; L159-I429 HydrophobicContact CD2-CG1 4.16Å; L159-I429 HydrophobicContact CD2-CG2 3.52Å; L159-I429 HydrophobicContact CG-CG2 4.47Å; L159-I432 HydrophobicContact CD1-CG2 4.04Å; L159-L436 HydrophobicContact CD1-CD1 3.78Å
160A89Confident90Very high0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-65.2-29.8177.900000112.8V83 Y156 I157 P164 T366V83-A160 HydrophobicContact CG2-CB 4.42Å; Y156-A160 WeakPolarHBondContact O-CB 3.38Å; Y156-A160 PolarHBondContact O-N 3.33Å; I157-A160 PolarHBondContact O-N 3.08Å; A160-P164 WeakPolarHBondContact O-CD 3.47Å; A160-P164 WeakPolarHBondContact O-CG 3.32Å; A160-T366 HydrophobicContact CB-CG2 3.71Å
161L92.4Very high89.3Confident1 Ų117.7 Ų17.71%0.00510%0.095CC..Hα-helixtrans-76-45.1172.2-177.159000111.9I157 A158 L159 I180 T183 V367 T415 V416 A419I157-L161 WeakPolarHBondContact O-CB 3.2Å; I157-L161 PolarHBondContact O-N 3.32Å; A158-L161 PolarHBondContact O-N 3.44Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.15Å; L161-I180 HydrophobicContact CD2-CG2 4.1Å; L161-I180 HydrophobicContact CG-CG2 4.4Å; L161-T183 WeakPolarHBondContact CD1-OG1 3.4Å; L161-V367 HydrophobicContact CB-CG2 4.03Å; L161-V367 HydrophobicContact CD1-CG2 4.46Å; L161-T415 HydrophobicContact CD2-CG2 4.07Å; L161-V416 HydrophobicContact CD2-CG2 4.22Å; L161-A419 HydrophobicContact CB-CB 4.25Å; L161-A419 HydrophobicContact CD2-CB 3.87Å; L161-A419 HydrophobicContact CG-CB 4.12Å
162Y89.9Confident88.7Confident7 Ų712.9 Ų12.93%0.0277%0.07CC..Hα-helixtrans-71.2-46.3-175.2165.7-91000113.6A158 L159 A165 L166 I176 I180 A419 F422 T423 I429A158-Y162 WeakPolarHBondContact O-CB 3.32Å; A158-Y162 PolarHBondContact O-N 3.35Å; L159-Y162 PolarHBondContact O-N 3.44Å; Y162-A165 WeakPolarHBondContact O-CB 3.47Å; Y162-A165 PolarHBondContact O-N 2.92Å; Y162-A165 VanDerWaalsContact O-N 3.12Å; Y162-L166 HydrophobicContact CE1-CB 4Å; Y162-L166 HydrophobicContact CE1-CD2 3.87Å; Y162-L166 HydrophobicContact CE1-CG 4.43Å; Y162-L166 HydrophobicContact CE2-CB 4.21Å; Y162-L166 HydrophobicContact CE2-CD1 4.46Å; Y162-L166 PolarHBondContact O-N 3.01Å; Y162-L166 WeakPolarHBondContact OH-CD2 3.38Å; Y162-I176 HydrophobicContact CD2-CD1 4.25Å; Y162-I176 HydrophobicContact CE2-CD1 3.86Å; Y162-I180 HydrophobicContact CD2-CD1 4.33Å; Y162-A419 WeakPolarHBondContact CD2-O 3.4Å; Y162-F422 HydrophobicContact CD1-CB 4.1Å; Y162-F422 HydrophobicContact CD2-CB 3.96Å; Y162-F422 HydrophobicContact CE1-CB 4.5Å; Y162-F422 HydrophobicContact CE2-CB 4.32Å; Y162-F422 HydrophobicContact CG-CB 3.79Å; Y162-F422 PolarHBondContact OH-O 2.88Å; Y162-T423 HydrophobicContact CD2-CG2 3.85Å; Y162-T423 VanDerWaalsContact CE2-CA 3.5Å; Y162-T423 HydrophobicContact CE2-CG2 3.69Å; Y162-I429 HydrophobicContact CD1-CD1 3.78Å; Y162-I429 HydrophobicContact CD1-CG2 3.98Å; Y162-I429 HydrophobicContact CE1-CB 4.49Å; Y162-I429 HydrophobicContact CE1-CD1 3.13Å; Y162-I429 HydrophobicContact CE1-CG1 4.31Å; Y162-I429 HydrophobicContact CE1-CG2 4.21Å
163A86.2Confident88.1Confident10 Ų1015.4 Ų15.48%0.08310%0.096CC..Hα-helixtrans-56.8-50.7-170.500000114.2V83 L159 A165 L166 A167 I429V83-A163 HydrophobicContact CG2-CB 4.06Å; L159-A163 WeakPolarHBondContact O-CB 3.32Å; L159-A163 PolarHBondContact O-N 3.33Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.08Å; A163-L166 PolarHBondContact O-N 3.05Å; A163-A167 PolarHBondContact O-N 3.44Å; A163-I429 HydrophobicContact CB-CG2 4.22Å
164P86.7Confident87.5Confident1 Ų115.4 Ų15.41%0.00610%0.096CC..Hα-helixtrans-65.8-36.2175.824.7-33.6000112.7A82 A160 L166 A167 F168 I359 F360 A363A82-P164 HydrophobicContact CB-CB 3.83Å; A82-P164 HydrophobicContact CB-CG 3.69Å; A160-P164 WeakPolarHBondContact O-CD 3.47Å; A160-P164 WeakPolarHBondContact O-CG 3.32Å; P164-L166 VanDerWaalsContact C-N 3.33Å; P164-L166 PolarHBondContact O-N 3.02Å; P164-A167 PolarHBondContact O-N 3.2Å; P164-F168 WeakPolarHBondContact O-CD2 3.45Å; P164-F168 PolarHBondContact O-N 2.99Å; P164-I359 HydrophobicContact CB-CG2 3.5Å; P164-I359 VanDerWaalsContact CB-CG2 3.5Å; P164-F360 HydrophobicContact CG-CE1 4.49Å; P164-A363 HydrophobicContact CG-CB 3.96Å
165A90.4Very high87.2Confident0 Ų016.5 Ų16.50%011%0.105CC..Hα-helixtrans-60.8-43.8176.700000111.5Y162 A163 S169 I176 I180 F360Y162-A165 WeakPolarHBondContact O-CB 3.47Å; Y162-A165 PolarHBondContact O-N 2.92Å; Y162-A165 VanDerWaalsContact O-N 3.12Å; A163-A165 VanDerWaalsContact C-N 3.34Å; A163-A165 PolarHBondContact O-N 3.08Å; A165-S169 VanDerWaalsContact O-CB 3.28Å; A165-S169 WeakPolarHBondContact O-CB 3.38Å; A165-S169 PolarHBondContact O-N 2.67Å; A165-S169 PolarHBondContact O-OG 2.92Å; A165-I176 HydrophobicContact CB-CG1 3.96Å; A165-I180 HydrophobicContact CB-CG1 3.77Å; A165-F360 HydrophobicContact CB-CE1 4.3Å; A165-F360 HydrophobicContact CB-CZ 4.32Å
166L87.8Confident87.2Confident21 Ų2116 Ų1611%0.1110%0.1CC..Hα-helixtrans-61.1-54.3174.5-178.572.7000111.1Y162 A163 P164 F168 S169 Q170 I176Y162-L166 HydrophobicContact CE1-CB 4Å; Y162-L166 HydrophobicContact CE1-CD2 3.87Å; Y162-L166 HydrophobicContact CE1-CG 4.43Å; Y162-L166 HydrophobicContact CE2-CB 4.21Å; Y162-L166 HydrophobicContact CE2-CD1 4.46Å; Y162-L166 PolarHBondContact O-N 3.01Å; Y162-L166 WeakPolarHBondContact OH-CD2 3.38Å; A163-L166 PolarHBondContact O-N 3.05Å; P164-L166 VanDerWaalsContact C-N 3.33Å; P164-L166 PolarHBondContact O-N 3.02Å; L166-F168 VanDerWaalsContact C-N 3.27Å; L166-F168 PolarHBondContact O-N 3.41Å; L166-S169 PolarHBondContact O-N 2.73Å; L166-S169 VanDerWaalsContact O-N 3.15Å; L166-S169 PolarHBondContact O-OG 3.47Å; L166-Q170 HydrophobicContact CD1-CG 4.33Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.31Å; L166-Q170 VanDerWaalsContact O-N 3.16Å; L166-I176 HydrophobicContact CB-CD1 4.02Å; L166-I176 HydrophobicContact CD1-CD1 3.91Å
167A83.3Confident87.2Confident0 Ų021.7 Ų21.70%012%0.122CC..Hα-helixtrans-57.5-41.6-174.500000111.9L86 A163 P164 P338L86-A167 HydrophobicContact CD2-CB 3.42Å; L86-A167 VanDerWaalsContact CD2-CB 3.42Å; A163-A167 PolarHBondContact O-N 3.44Å; P164-A167 PolarHBondContact O-N 3.2Å; A167-P338 HydrophobicContact CB-CG 4.05Å
168F83.3Confident87.1Confident1 Ų124.2 Ų24.20%0.00413%0.134CC..Hα-helixtrans-71.1-43.2175.5-92.5-84.9000113.9F5 P164 L166 Q170 V171 S172 P338 F355 L356 I359F5-F168 HydrophobicContact CE2-CD1 4.27Å; F5-F168 AromaticContact CZ-CD1 3.99Å; F5-F168 HydrophobicContact CZ-CD1 3.99Å; F5-F168 HydrophobicContact CZ-CE1 4.12Å; P164-F168 WeakPolarHBondContact O-CD2 3.45Å; P164-F168 PolarHBondContact O-N 2.99Å; L166-F168 VanDerWaalsContact C-N 3.27Å; L166-F168 PolarHBondContact O-N 3.41Å; F168-Q170 PolarHBondContact O-N 3.03Å; F168-Q170 VanDerWaalsContact O-N 3.16Å; F168-V171 WeakPolarHBondContact O-CG2 3.39Å; F168-V171 PolarHBondContact O-N 3.48Å; F168-V171 VanDerWaalsContact O-N 3.1Å; F168-S172 WeakPolarHBondContact O-CB 3.49Å; F168-S172 PolarHBondContact O-N 3.1Å; F168-S172 PolarHBondContact O-OG 3.45Å; F168-P338 HydrophobicContact CD1-CB 4.5Å; F168-P338 HydrophobicContact CD2-CG 4.38Å; F168-P338 HydrophobicContact CE2-CG 4.33Å; F168-F355 AromaticContact CE1-CD1 3.96Å; F168-F355 HydrophobicContact CE1-CD1 3.96Å; F168-F355 HydrophobicContact CE1-CE1 4.2Å; F168-F355 HydrophobicContact CE2-CE1 4.31Å; F168-F355 AromaticContact CZ-CD1 3.46Å; F168-F355 HydrophobicContact CZ-CD1 3.46Å; F168-F355 VanDerWaalsContact CZ-CD1 3.46Å; F168-F355 AromaticContact CZ-CE1 3.47Å; F168-F355 HydrophobicContact CZ-CE1 3.47Å; F168-F355 VanDerWaalsContact CZ-CE1 3.47Å; F168-L356 HydrophobicContact CD1-CD1 3.63Å; F168-L356 HydrophobicContact CD2-CD1 4.35Å; F168-L356 HydrophobicContact CE1-CD1 3.72Å; F168-L356 HydrophobicContact CE2-CD1 4.39Å; F168-L356 HydrophobicContact CG-CD1 3.93Å; F168-L356 HydrophobicContact CZ-CD1 4.08Å; F168-I359 HydrophobicContact CD2-CG2 4.4Å; F168-I359 HydrophobicContact CE2-CB 3.68Å; F168-I359 HydrophobicContact CE2-CD1 3.36Å; F168-I359 HydrophobicContact CE2-CG1 3.96Å; F168-I359 HydrophobicContact CE2-CG2 3.78Å; F168-I359 HydrophobicContact CZ-CB 4.28Å; F168-I359 HydrophobicContact CZ-CD1 3.74Å; F168-I359 HydrophobicContact CZ-CG1 4.32Å
169S87.6Confident87Confident23 Ų2324.2 Ų24.216%0.16113%0.134CC..Hα-helixtrans-57.8-34.1-178.166.50000111.9A165 L166 G173 L174A165-S169 VanDerWaalsContact O-CB 3.28Å; A165-S169 WeakPolarHBondContact O-CB 3.38Å; A165-S169 PolarHBondContact O-N 2.67Å; A165-S169 PolarHBondContact O-OG 2.92Å; L166-S169 PolarHBondContact O-N 2.73Å; L166-S169 VanDerWaalsContact O-N 3.15Å; L166-S169 PolarHBondContact O-OG 3.47Å; S169-G173 PolarHBondContact O-N 3.38Å; S169-L174 WeakPolarHBondContact CA-O 3.3Å; S169-L174 WeakPolarHBondContact CB-O 3.22Å
170Q84.3Confident87.2Confident86 Ų8624.1 Ų24.140%0.40213%0.134SC..Hα-helixtrans-78.6-20.9-178.9-68.1175.4-39.200114.4L166 F168 Q335L166-Q170 HydrophobicContact CD1-CG 4.33Å; L166-Q170 WeakPolarHBondContact O-CG 3.36Å; L166-Q170 PolarHBondContact O-N 3.31Å; L166-Q170 VanDerWaalsContact O-N 3.16Å; F168-Q170 PolarHBondContact O-N 3.03Å; F168-Q170 VanDerWaalsContact O-N 3.16Å; Q170-Q335 VanDerWaalsContact CD-NE2 3.29Å
171V81.8Confident87.5Confident14 Ų1426.9 Ų26.99%0.08515%0.148CC..Hα-helixtrans-105.7-24.8179.6-58.90000114F168 I330 Q335 P338 M342F168-V171 WeakPolarHBondContact O-CG2 3.39Å; F168-V171 PolarHBondContact O-N 3.48Å; F168-V171 VanDerWaalsContact O-N 3.1Å; V171-I330 HydrophobicContact CG1-CG2 4.32Å; V171-Q335 HydrophobicContact CG1-CB 3.97Å; V171-P338 HydrophobicContact CB-CB 4.44Å; V171-P338 HydrophobicContact CG1-CB 4.29Å; V171-P338 HydrophobicContact CG2-CB 3.41Å; V171-P338 VanDerWaalsContact CG2-CB 3.41Å; V171-M342 HydrophobicContact CB-CG 4.4Å; V171-M342 HydrophobicContact CG2-CG 4Å
172S81.5Confident87.5Confident3 Ų328.1 Ų28.12%0.02116%0.157CC..Hα-helixtrans-113.2-14.6-171.266.80000114.3F5 F168 L174F5-S172 VanDerWaalsContact CD2-CB 3.45Å; F5-S172 WeakPolarHBondContact CE2-OG 3.5Å; F168-S172 WeakPolarHBondContact O-CB 3.49Å; F168-S172 PolarHBondContact O-N 3.1Å; F168-S172 PolarHBondContact O-OG 3.45Å; S172-L174 PolarHBondContact O-N 3.41Å; S172-L174 WeakPolarHBondContact OG-CB 3.5Å; S172-L174 PolarHBondContact OG-N 3.41Å
173G80.4Confident87.6Confident54 Ų5427.8 Ų27.856%0.55716%0.156SC*.  trans78.20.5-172.700000114.5S169 P175S169-G173 PolarHBondContact O-N 3.38Å; G173-P175 VanDerWaalsContact O-CD 3.3Å; G173-P175 WeakPolarHBondContact O-CD 3.16Å
174L82.7Confident88Confident3 Ų327.4 Ų27.42%0.01615%0.153CC..  trans-58.1121173.6177.964.4000109.8F5 Y10 S169 S172 I176 I178 S179 L356F5-L174 HydrophobicContact CD2-CB 4.05Å; F5-L174 HydrophobicContact CE2-CB 4.09Å; F5-L174 HydrophobicContact CE2-CD2 4.34Å; Y10-L174 HydrophobicContact CD1-CD1 4.1Å; Y10-L174 HydrophobicContact CE1-CD1 3.32Å; S169-L174 WeakPolarHBondContact CA-O 3.3Å; S169-L174 WeakPolarHBondContact CB-O 3.22Å; S172-L174 PolarHBondContact O-N 3.41Å; S172-L174 WeakPolarHBondContact OG-CB 3.5Å; S172-L174 PolarHBondContact OG-N 3.41Å; L174-I176 PolarHBondContact O-N 2.79Å; L174-I176 VanDerWaalsContact O-N 3.16Å; L174-I178 HydrophobicContact CD1-CB 4.37Å; L174-I178 HydrophobicContact CD1-CG2 4.28Å; L174-S179 WeakPolarHBondContact CD2-OG 3.32Å; L174-L356 HydrophobicContact CD2-CD1 4.13Å; L174-L356 HydrophobicContact CD2-CD2 4.21Å
175P88Confident88.3Confident53 Ų5332 Ų3234%0.34418%0.177SC..  trans-56.4125.1176.1-25.533.6000110.9G173 W177 I178G173-P175 VanDerWaalsContact O-CD 3.3Å; G173-P175 WeakPolarHBondContact O-CD 3.16Å; P175-W177 HydrophobicContact CB-CG 4.4Å; P175-W177 PolarHBondContact O-N 2.98Å; P175-W177 VanDerWaalsContact O-N 3.11Å; P175-I178 HydrophobicContact CB-CD1 4.14Å; P175-I178 HydrophobicContact CB-CG1 4.18Å; P175-I178 HydrophobicContact CG-CD1 3.97Å; P175-I178 WeakPolarHBondContact O-CB 3.31Å; P175-I178 PolarHBondContact O-N 3.42Å
176I89.9Confident88.5Confident39 Ų3933.1 Ų33.120%0.218%0.183CC..Hα-helixtrans-55.5-34.5-175.1-168170.8000112.5Y162 A165 L166 L174 I178 S179 I180 T423Y162-I176 HydrophobicContact CD2-CD1 4.25Å; Y162-I176 HydrophobicContact CE2-CD1 3.86Å; A165-I176 HydrophobicContact CB-CG1 3.96Å; L166-I176 HydrophobicContact CB-CD1 4.02Å; L166-I176 HydrophobicContact CD1-CD1 3.91Å; L174-I176 PolarHBondContact O-N 2.79Å; L174-I176 VanDerWaalsContact O-N 3.16Å; I176-I178 VanDerWaalsContact C-N 3.32Å; I176-I178 PolarHBondContact O-N 3.41Å; I176-S179 WeakPolarHBondContact O-CB 3.19Å; I176-S179 PolarHBondContact O-N 3Å; I176-I180 HydrophobicContact CD1-CD1 4.42Å; I176-I180 HydrophobicContact CG1-CD1 3.98Å; I176-I180 HydrophobicContact CG1-CG1 4.42Å; I176-I180 WeakPolarHBondContact O-CG1 2.94Å; I176-I180 PolarHBondContact O-N 3.44Å; I176-T423 HydrophobicContact CD1-CG2 4.01Å
177W92.1Very high88.7Confident138 Ų13832.1 Ų32.152%0.52318%0.178SC..Hα-helixtrans-64.4-34.9-179.771.5-100.8000112.6P175 S179 I180 L181 F420P175-W177 HydrophobicContact CB-CG 4.4Å; P175-W177 PolarHBondContact O-N 2.98Å; P175-W177 VanDerWaalsContact O-N 3.11Å; W177-S179 VanDerWaalsContact C-N 3.32Å; W177-I180 PolarHBondContact O-N 3.12Å; W177-L181 HydrophobicContact CE3-CD1 3.82Å; W177-L181 HydrophobicContact CZ3-CD1 4.19Å; W177-L181 WeakPolarHBondContact O-CB 3.35Å; W177-L181 WeakPolarHBondContact O-CG 3.36Å; W177-L181 PolarHBondContact O-N 3.3Å; W177-F420 HydrophobicContact CB-CE1 3.71Å; W177-F420 HydrophobicContact CB-CZ 3.91Å
178I90.2Very high89.3Confident52 Ų5232.7 Ų32.727%0.26718%0.182SC..Hα-helixtrans-63.5-45.5177.4-65.7178.9000108.9L174 P175 I176 S182L174-I178 HydrophobicContact CD1-CB 4.37Å; L174-I178 HydrophobicContact CD1-CG2 4.28Å; P175-I178 HydrophobicContact CB-CD1 4.14Å; P175-I178 HydrophobicContact CB-CG1 4.18Å; P175-I178 HydrophobicContact CG-CD1 3.97Å; P175-I178 WeakPolarHBondContact O-CB 3.31Å; P175-I178 PolarHBondContact O-N 3.42Å; I176-I178 VanDerWaalsContact C-N 3.32Å; I176-I178 PolarHBondContact O-N 3.41Å; I178-S182 WeakPolarHBondContact O-CB 3.34Å; I178-S182 PolarHBondContact O-N 2.7Å; I178-S182 PolarHBondContact O-OG 3.34Å
179S90.2Very high89.8Confident0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-60.3-50.6178.6-67.20000111.8L174 I176 W177 S182 T183 F360L174-S179 WeakPolarHBondContact CD2-OG 3.32Å; I176-S179 WeakPolarHBondContact O-CB 3.19Å; I176-S179 PolarHBondContact O-N 3Å; W177-S179 VanDerWaalsContact C-N 3.32Å; S179-S182 PolarHBondContact O-OG 3.12Å; S179-T183 WeakPolarHBondContact O-CB 3.36Å; S179-T183 PolarHBondContact O-N 2.83Å; S179-T183 VanDerWaalsContact O-N 3.16Å; S179-T183 PolarHBondContact O-OG1 2.91Å; S179-F360 WeakPolarHBondContact OG-CZ 3.37Å
180I94.1Very high90Very high0 Ų035.4 Ų35.40%019%0.191CC..Hα-helixtrans-63.9-49.3-178.2-66.4174.3000111L161 Y162 A165 I176 W177 G184 V416 A419 F420 T423L161-I180 HydrophobicContact CD2-CG2 4.1Å; L161-I180 HydrophobicContact CG-CG2 4.4Å; Y162-I180 HydrophobicContact CD2-CD1 4.33Å; A165-I180 HydrophobicContact CB-CG1 3.77Å; I176-I180 HydrophobicContact CD1-CD1 4.42Å; I176-I180 HydrophobicContact CG1-CD1 3.98Å; I176-I180 HydrophobicContact CG1-CG1 4.42Å; I176-I180 WeakPolarHBondContact O-CG1 2.94Å; I176-I180 PolarHBondContact O-N 3.44Å; W177-I180 PolarHBondContact O-N 3.12Å; I180-G184 WeakPolarHBondContact O-CA 3.47Å; I180-G184 PolarHBondContact O-N 3.48Å; I180-V416 HydrophobicContact CG2-CG1 4.27Å; I180-A419 HydrophobicContact CD1-CB 4.45Å; I180-A419 HydrophobicContact CG2-CB 3.92Å; I180-F420 HydrophobicContact CB-CE2 4.42Å; I180-F420 HydrophobicContact CB-CZ 4.29Å; I180-F420 HydrophobicContact CD1-CD1 4.49Å; I180-F420 HydrophobicContact CG2-CD2 4.04Å; I180-F420 HydrophobicContact CG2-CE2 3.77Å; I180-F420 HydrophobicContact CG2-CZ 4.13Å; I180-T423 HydrophobicContact CD1-CG2 3.89Å
181L95.1Very high90.4Very high58 Ų5831.4 Ų31.430%0.30417%0.172SC..Hα-helixtrans-67-50-178.6-74.3-178.7000111.9W177 T183 L185 V416 F420W177-L181 HydrophobicContact CE3-CD1 3.82Å; W177-L181 HydrophobicContact CZ3-CD1 4.19Å; W177-L181 WeakPolarHBondContact O-CB 3.35Å; W177-L181 WeakPolarHBondContact O-CG 3.36Å; W177-L181 PolarHBondContact O-N 3.3Å; L181-T183 PolarHBondContact O-N 3.41Å; L181-L185 HydrophobicContact CB-CD1 4.42Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.22Å; L181-V416 HydrophobicContact CD2-CG1 3.77Å; L181-F420 HydrophobicContact CD1-CZ 4.47Å; L181-F420 HydrophobicContact CD2-CE2 3.71Å; L181-F420 HydrophobicContact CD2-CZ 4.17Å; L181-F420 HydrophobicContact CG-CE2 3.95Å; L181-F420 HydrophobicContact CG-CZ 3.89Å
182S92.1Very high90.9Very high27 Ų2731 Ų3119%0.18917%0.17CC..Hα-helixtrans-60.4-47.2-17660.70000111.4I178 S179 V186I178-S182 WeakPolarHBondContact O-CB 3.34Å; I178-S182 PolarHBondContact O-N 2.7Å; I178-S182 PolarHBondContact O-OG 3.34Å; S179-S182 PolarHBondContact O-OG 3.12Å; S182-V186 VanDerWaalsContact O-CB 3.32Å; S182-V186 WeakPolarHBondContact O-CB 3.41Å; S182-V186 WeakPolarHBondContact O-CG2 3.28Å; S182-V186 PolarHBondContact O-N 3.13Å
183T91.5Very high91.1Very high1 Ų133.5 Ų33.51%0.00618%0.181CC..Hα-helixtrans-75.9-41.5-178.657.90000113.1F13 L17 L161 S179 L181 V186 A187 F360 L364F13-T183 HydrophobicContact CE2-CG2 4.36Å; F13-T183 HydrophobicContact CZ-CG2 3.67Å; L17-T183 HydrophobicContact CD2-CG2 4.31Å; L161-T183 WeakPolarHBondContact CD1-OG1 3.4Å; S179-T183 WeakPolarHBondContact O-CB 3.36Å; S179-T183 PolarHBondContact O-N 2.83Å; S179-T183 VanDerWaalsContact O-N 3.16Å; S179-T183 PolarHBondContact O-OG1 2.91Å; L181-T183 PolarHBondContact O-N 3.41Å; T183-V186 PolarHBondContact O-N 2.98Å; T183-A187 VanDerWaalsContact O-CB 3.28Å; T183-A187 WeakPolarHBondContact O-CB 3.44Å; T183-A187 PolarHBondContact O-N 3.31Å; T183-F360 HydrophobicContact CG2-CB 3.89Å; T183-F360 HydrophobicContact CG2-CD1 3.35Å; T183-F360 HydrophobicContact CG2-CE1 4.02Å; T183-F360 HydrophobicContact CG2-CG 3.7Å; T183-L364 HydrophobicContact CG2-CD2 4.48Å; T183-L364 WeakPolarHBondContact O-CD2 3.41Å
184G94.7Very high91.5Very high1 Ų131.2 Ų31.21%0.0116%0.157CC..Hα-helixtrans-64.6-42.6178.400000113.1I180 T188I180-G184 WeakPolarHBondContact O-CA 3.47Å; I180-G184 PolarHBondContact O-N 3.48Å; G184-T188 WeakPolarHBondContact O-CB 3.33Å; G184-T188 PolarHBondContact O-N 2.98Å; G184-T188 PolarHBondContact O-OG1 2.84Å
185L94.2Very high91.9Very high99 Ų9931.1 Ų31.152%0.51816%0.156SC..Hα-helixtrans-67.2-44.1177.8-69.4173.6000111.7L181 T188 F189L181-L185 HydrophobicContact CB-CD1 4.42Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.22Å; L185-T188 PolarHBondContact O-N 3.46Å; L185-F189 WeakPolarHBondContact O-CB 3.12Å; L185-F189 PolarHBondContact O-N 3.47Å
186V93Very high92.2Very high22 Ų2228.8 Ų28.813%0.13314%0.141CC..Hα-helixtrans-63.8-46.2177.9168.60000110.8L17 S182 T183 T188 F189 Y190L17-V186 HydrophobicContact CB-CG1 4.4Å; L17-V186 HydrophobicContact CB-CG2 4.1Å; L17-V186 HydrophobicContact CD1-CG2 4.42Å; L17-V186 HydrophobicContact CD2-CB 4.34Å; L17-V186 HydrophobicContact CD2-CG1 4.16Å; L17-V186 HydrophobicContact CD2-CG2 4.4Å; S182-V186 VanDerWaalsContact O-CB 3.32Å; S182-V186 WeakPolarHBondContact O-CB 3.41Å; S182-V186 WeakPolarHBondContact O-CG2 3.28Å; S182-V186 PolarHBondContact O-N 3.13Å; T183-V186 PolarHBondContact O-N 2.98Å; V186-T188 VanDerWaalsContact C-N 3.34Å; V186-T188 PolarHBondContact O-N 2.91Å; V186-F189 PolarHBondContact O-N 3.22Å; V186-Y190 HydrophobicContact CG1-CD1 4.05Å; V186-Y190 HydrophobicContact CG1-CE1 4.34Å; V186-Y190 WeakPolarHBondContact O-CD1 3.16Å; V186-Y190 PolarHBondContact O-N 3.45Å
187A93.6Very high92.3Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-55.7-48.6174.200000111.9T183 F189 Y190 T191 L364 V367T183-A187 VanDerWaalsContact O-CB 3.28Å; T183-A187 WeakPolarHBondContact O-CB 3.44Å; T183-A187 PolarHBondContact O-N 3.31Å; A187-F189 VanDerWaalsContact C-N 3.32Å; A187-F189 PolarHBondContact O-N 3.18Å; A187-Y190 VanDerWaalsContact CA-CE1 3.47Å; A187-Y190 HydrophobicContact CB-CE1 4.36Å; A187-T191 WeakPolarHBondContact O-CB 3.42Å; A187-T191 PolarHBondContact O-N 2.96Å; A187-T191 VanDerWaalsContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 2.94Å; A187-L364 HydrophobicContact CB-CD2 3.7Å; A187-V367 HydrophobicContact CB-CB 4.16Å; A187-V367 HydrophobicContact CB-CG1 3.7Å
188T95.2Very high92.3Very high13 Ų1322 Ų228%0.0811%0.113CC..Hα-helixtrans-59.2-46.3178.7-57.60000111G184 L185 V186 A192 G412G184-T188 WeakPolarHBondContact O-CB 3.33Å; G184-T188 PolarHBondContact O-N 2.98Å; G184-T188 PolarHBondContact O-OG1 2.84Å; L185-T188 PolarHBondContact O-N 3.46Å; V186-T188 VanDerWaalsContact C-N 3.34Å; V186-T188 PolarHBondContact O-N 2.91Å; T188-A192 WeakPolarHBondContact O-CB 3.01Å; T188-A192 PolarHBondContact O-N 3.45Å; T188-G412 WeakPolarHBondContact OG1-CA 3.47Å
189F93.3Very high92.5Very high81 Ų8119.5 Ų19.536%0.35510%0.1SC..Hα-helixtrans-61.3-60.9-177.7178.8-98.5000112I25 L185 V186 A187 T191 A192 F193I25-F189 HydrophobicContact CD1-CE1 4.02Å; I25-F189 HydrophobicContact CD1-CZ 4.2Å; I25-F189 HydrophobicContact CG1-CE1 3.81Å; I25-F189 HydrophobicContact CG1-CZ 4.01Å; L185-F189 WeakPolarHBondContact O-CB 3.12Å; L185-F189 PolarHBondContact O-N 3.47Å; V186-F189 PolarHBondContact O-N 3.22Å; A187-F189 VanDerWaalsContact C-N 3.32Å; A187-F189 PolarHBondContact O-N 3.18Å; F189-T191 PolarHBondContact O-N 2.83Å; F189-A192 PolarHBondContact O-N 3.16Å; F189-F193 AromaticContact CD2-CD2 3.55Å; F189-F193 HydrophobicContact CD2-CD2 3.55Å; F189-F193 AromaticContact CD2-CE2 3.59Å; F189-F193 HydrophobicContact CD2-CE2 3.59Å; F189-F193 AromaticContact CE2-CD2 3.65Å; F189-F193 HydrophobicContact CE2-CD2 3.65Å; F189-F193 AromaticContact CE2-CE2 3.74Å; F189-F193 HydrophobicContact CE2-CE2 3.74Å; F189-F193 HydrophobicContact CG-CD2 4.18Å; F189-F193 HydrophobicContact CZ-CD2 4.36Å; F189-F193 VanDerWaalsContact O-CD2 3.23Å; F189-F193 WeakPolarHBondContact O-CD2 3.43Å; F189-F193 PolarHBondContact O-N 3.42Å; F189-F193 VanDerWaalsContact O-N 3.15Å
190Y91.3Very high92.7Very high0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-67.1-26.7-174.975.5-108.9000112.3V186 A187 G194 V199 V202 L364 S368V186-Y190 HydrophobicContact CG1-CD1 4.05Å; V186-Y190 HydrophobicContact CG1-CE1 4.34Å; V186-Y190 WeakPolarHBondContact O-CD1 3.16Å; V186-Y190 PolarHBondContact O-N 3.45Å; A187-Y190 VanDerWaalsContact CA-CE1 3.47Å; A187-Y190 HydrophobicContact CB-CE1 4.36Å; Y190-G194 VanDerWaalsContact O-CA 3.29Å; Y190-G194 WeakPolarHBondContact O-CA 3.29Å; Y190-G194 PolarHBondContact O-N 3.38Å; Y190-V199 HydrophobicContact CE2-CG2 4.38Å; Y190-V202 HydrophobicContact CD2-CB 4.49Å; Y190-V202 HydrophobicContact CD2-CG2 4.1Å; Y190-V202 HydrophobicContact CE1-CG1 4.21Å; Y190-V202 HydrophobicContact CE2-CB 4.1Å; Y190-V202 HydrophobicContact CE2-CG1 3.93Å; Y190-V202 HydrophobicContact CE2-CG2 4.21Å; Y190-L364 HydrophobicContact CE1-CD2 4.48Å; Y190-L364 PolarHBondContact OH-O 3.26Å; Y190-S368 WeakPolarHBondContact OH-CB 3.08Å; Y190-S368 PolarHBondContact OH-OG 3.02Å; Y190-S368 VanDerWaalsContact OH-OG 3.1Å
191T92.9Very high92.7Very high2 Ų224.7 Ų24.71%0.01212%0.12CC..Hα-helixtrans-73.7-51.5178.3-570000112A187 F189 F193 G195 V199 S368 I371 N372A187-T191 WeakPolarHBondContact O-CB 3.42Å; A187-T191 PolarHBondContact O-N 2.96Å; A187-T191 VanDerWaalsContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 2.94Å; F189-T191 PolarHBondContact O-N 2.83Å; T191-F193 VanDerWaalsContact C-N 3.35Å; T191-F193 PolarHBondContact O-N 3.39Å; T191-G195 PolarHBondContact O-N 3.19Å; T191-V199 HydrophobicContact CG2-CG2 3.87Å; T191-S368 VanDerWaalsContact CG2-O 3.31Å; T191-S368 WeakPolarHBondContact CG2-O 3.43Å; T191-S368 VanDerWaalsContact OG1-CA 3.3Å; T191-S368 WeakPolarHBondContact OG1-CA 3.44Å; T191-S368 WeakPolarHBondContact OG1-CB 3.23Å; T191-I371 HydrophobicContact CG2-CB 4.05Å; T191-I371 HydrophobicContact CG2-CG2 3.84Å; T191-N372 HydrophobicContact CG2-CB 3.83Å
192A91.9Very high92.6Very high4 Ų421.9 Ų21.93%0.03311%0.105CC..Hα-helixtrans-65-41-176.400000111.2T188 F189 L405 I409T188-A192 WeakPolarHBondContact O-CB 3.01Å; T188-A192 PolarHBondContact O-N 3.45Å; F189-A192 PolarHBondContact O-N 3.16Å; A192-L405 HydrophobicContact CB-CD1 4.08Å; A192-L405 WeakPolarHBondContact O-CD1 3.42Å; A192-I409 HydrophobicContact CB-CG1 4.02Å
193F87.5Confident92.7Very high57 Ų5720.6 Ų20.625%0.2510%0.096CC..Hα-helixtrans-86.1-37.6-178-68.9-74.8000113.8R28 M54 F189 T191 L405R28-F193 WeakPolarHBondContact CD-O 3.32Å; M54-F193 WeakPolarHBondContact CE-O 3.04Å; F189-F193 AromaticContact CD2-CD2 3.55Å; F189-F193 HydrophobicContact CD2-CD2 3.55Å; F189-F193 AromaticContact CD2-CE2 3.59Å; F189-F193 HydrophobicContact CD2-CE2 3.59Å; F189-F193 AromaticContact CE2-CD2 3.65Å; F189-F193 HydrophobicContact CE2-CD2 3.65Å; F189-F193 AromaticContact CE2-CE2 3.74Å; F189-F193 HydrophobicContact CE2-CE2 3.74Å; F189-F193 HydrophobicContact CG-CD2 4.18Å; F189-F193 HydrophobicContact CZ-CD2 4.36Å; F189-F193 VanDerWaalsContact O-CD2 3.23Å; F189-F193 WeakPolarHBondContact O-CD2 3.43Å; F189-F193 PolarHBondContact O-N 3.42Å; F189-F193 VanDerWaalsContact O-N 3.15Å; T191-F193 VanDerWaalsContact C-N 3.35Å; T191-F193 PolarHBondContact O-N 3.39Å; F193-L405 HydrophobicContact CD1-CD1 3.85Å; F193-L405 HydrophobicContact CE1-CD1 3.94Å; F193-L405 HydrophobicContact CE1-CD2 4.16Å; F193-L405 HydrophobicContact CG-CD1 4.34Å; F193-L405 HydrophobicContact CZ-CD1 4.48Å
194G87.8Confident92.7Very high6 Ų621.5 Ų21.56%0.06210%0.101CC..Hα-helixtrans-89.2-20.6-174.200000114.7Y190Y190-G194 VanDerWaalsContact O-CA 3.29Å; Y190-G194 WeakPolarHBondContact O-CA 3.29Å; Y190-G194 PolarHBondContact O-N 3.38Å
195G92.4Very high92.6Very high0 Ų025.9 Ų25.90%012%0.12CC..Hα-helixtrans67.3-171.8-17700000113.9L59 T191 R197 A198 V199L59-G195 CarbonylContact O-C 3.4Å; L59-G195 WeakPolarHBondContact O-CA 3.46Å; T191-G195 PolarHBondContact O-N 3.19Å; G195-R197 PolarHBondContact O-N 2.81Å; G195-R197 VanDerWaalsContact O-N 3.15Å; G195-A198 PolarHBondContact O-N 3.34Å; G195-V199 WeakPolarHBondContact O-CG2 3.36Å; G195-V199 PolarHBondContact O-N 3.11Å
196I93.3Very high92.5Very high4 Ų421.3 Ų21.32%0.02110%0.096CC..Hα-helixtrans-59-31.7-175.1-164.9161.3000112.2L59 F60 A198 V199 V200 Q279 A283L59-I196 PolarHBondContact O-N 3.21Å; F60-I196 VanDerWaalsContact C-CG2 3.45Å; F60-I196 VanDerWaalsContact O-CD1 3.24Å; F60-I196 WeakPolarHBondContact O-CD1 3.3Å; F60-I196 WeakPolarHBondContact O-CG2 3.34Å; I196-A198 PolarHBondContact O-N 3.06Å; I196-V199 PolarHBondContact O-N 3.49Å; I196-V200 HydrophobicContact CG1-CG2 3.93Å; I196-V200 WeakPolarHBondContact O-CB 3.18Å; I196-V200 WeakPolarHBondContact O-CG2 3.13Å; I196-V200 PolarHBondContact O-N 3.39Å; I196-Q279 HydrophobicContact CD1-CB 4.43Å; I196-Q279 HydrophobicContact CD1-CG 3.81Å; I196-A283 HydrophobicContact CD1-CB 4.3Å
197R92.1Very high92.4Very high34 Ų3420.9 Ų20.913%0.1289%0.093CC..Hα-helixtrans-62.9-45.6177.3-168.8-177.8-62.6-143.74.5110.8H27 E58 G62 L66 G195 W201H27-R197 VanDerWaalsContact ND1-CD 3.29Å; H27-R197 WeakPolarHBondContact ND1-CD 3.29Å; H27-R197 WeakPolarHBondContact ND1-CG 3.38Å; E58-R197 VanDerWaalsContact CD-NH2 3.29Å; E58-R197 IonicContact OE1-CZ 3.21Å; E58-R197 IonicContact OE1-NE 3.88Å; E58-R197 PolarHBondContact OE1-NE 3.32Å; E58-R197 IonicContact OE1-NH2 2.87Å; E58-R197 PolarHBondContact OE1-NH2 3Å; E58-R197 IonicContact OE2-CZ 2.68Å; E58-R197 IonicContact OE2-NE 3.17Å; E58-R197 IonicContact OE2-NH2 3.78Å; E58-R197 PolarHBondContact OE2-NH2 3.1Å; G62-R197 PolarHBondContact O-NH2 3.39Å; L66-R197 HydrophobicContact CD2-CB 4.3Å; L66-R197 HydrophobicContact CD2-CG 3.84Å; G195-R197 PolarHBondContact O-N 2.81Å; G195-R197 VanDerWaalsContact O-N 3.15Å; R197-W201 VanDerWaalsContact O-CD1 3.25Å; R197-W201 PolarHBondContact O-N 3.03Å
198A92.3Very high92.2Very high0 Ų025.8 Ų25.80%012%0.118CC..Hα-helixtrans-64.6-4617500000111.4H27 G195 I196 V200 W201 V202H27-A198 HydrophobicContact CB-CB 3.93Å; G195-A198 PolarHBondContact O-N 3.34Å; I196-A198 PolarHBondContact O-N 3.06Å; A198-V200 VanDerWaalsContact C-N 3.33Å; A198-V200 PolarHBondContact O-N 3.05Å; A198-W201 PolarHBondContact O-N 3.27Å; A198-V202 WeakPolarHBondContact O-CB 3.31Å; A198-V202 VanDerWaalsContact O-CG2 3.31Å; A198-V202 WeakPolarHBondContact O-CG2 3.49Å; A198-V202 PolarHBondContact O-N 3.46Å
199V94.2Very high92Very high1 Ų126.5 Ų26.51%0.00612%0.122CC..Hα-helixtrans-53.5-51.3178.6174.30000110.7Y190 T191 G195 I196 W201 V202 D203Y190-V199 HydrophobicContact CE2-CG2 4.38Å; T191-V199 HydrophobicContact CG2-CG2 3.87Å; G195-V199 WeakPolarHBondContact O-CG2 3.36Å; G195-V199 PolarHBondContact O-N 3.11Å; I196-V199 PolarHBondContact O-N 3.49Å; V199-W201 VanDerWaalsContact C-N 3.34Å; V199-W201 PolarHBondContact O-N 3.36Å; V199-V202 PolarHBondContact O-N 2.78Å; V199-D203 WeakPolarHBondContact O-CB 3.4Å; V199-D203 PolarHBondContact O-N 3.41Å
200V94.6Very high91.8Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-63.9-38.1-176.51740000112.2L66 P70 I71 S74 I196 A198 L204L66-V200 HydrophobicContact CD1-CB 4.36Å; L66-V200 HydrophobicContact CD1-CG1 4.43Å; L66-V200 HydrophobicContact CD1-CG2 4.01Å; P70-V200 HydrophobicContact CB-CG1 3.56Å; P70-V200 WeakPolarHBondContact O-CG1 3.32Å; I71-V200 HydrophobicContact CD1-CG1 4.02Å; I71-V200 HydrophobicContact CD1-CG2 4.21Å; S74-V200 WeakPolarHBondContact OG-CA 3.38Å; I196-V200 HydrophobicContact CG1-CG2 3.93Å; I196-V200 WeakPolarHBondContact O-CB 3.18Å; I196-V200 WeakPolarHBondContact O-CG2 3.13Å; I196-V200 PolarHBondContact O-N 3.39Å; A198-V200 VanDerWaalsContact C-N 3.33Å; A198-V200 PolarHBondContact O-N 3.05Å; V200-L204 PolarHBondContact O-N 2.9Å; V200-L204 VanDerWaalsContact O-N 3.12Å
201W92.7Very high91.8Very high108 Ų10825.6 Ų25.641%0.40912%0.121SC..Hα-helixtrans-73.6-40.3177-84.1102.6000113.1I23 H27 P70 R197 A198 V199 D203 L204 F205I23-W201 HydrophobicContact CG2-CB 4.23Å; H27-W201 AromaticContact CE1-CD1 3.53Å; H27-W201 AromaticContact NE2-CD1 3.47Å; H27-W201 AromaticContact NE2-CG 3.76Å; P70-W201 HydrophobicContact CB-CD2 4.36Å; P70-W201 HydrophobicContact CB-CZ2 4.43Å; P70-W201 HydrophobicContact CG-CZ2 4.32Å; R197-W201 VanDerWaalsContact O-CD1 3.25Å; R197-W201 PolarHBondContact O-N 3.03Å; A198-W201 PolarHBondContact O-N 3.27Å; V199-W201 VanDerWaalsContact C-N 3.34Å; V199-W201 PolarHBondContact O-N 3.36Å; W201-D203 VanDerWaalsContact C-N 3.33Å; W201-L204 HydrophobicContact CE3-CD2 4.18Å; W201-L204 HydrophobicContact CZ3-CD2 4.06Å; W201-L204 PolarHBondContact O-N 3.2Å; W201-F205 PolarHBondContact O-N 2.63Å; W201-F205 VanDerWaalsContact O-N 3.16Å
202V93.3Very high91.6Very high0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-61-46.1173.6170.20000109.8Y20 I23 Y190 A198 V199 L204 F205 Q206Y20-V202 HydrophobicContact CD1-CG1 4.08Å; Y20-V202 HydrophobicContact CG-CG1 4.22Å; I23-V202 HydrophobicContact CB-CG2 3.73Å; I23-V202 HydrophobicContact CD1-CG2 4.08Å; I23-V202 HydrophobicContact CG2-CG2 3.56Å; Y190-V202 HydrophobicContact CD2-CB 4.49Å; Y190-V202 HydrophobicContact CD2-CG2 4.1Å; Y190-V202 HydrophobicContact CE1-CG1 4.21Å; Y190-V202 HydrophobicContact CE2-CB 4.1Å; Y190-V202 HydrophobicContact CE2-CG1 3.93Å; Y190-V202 HydrophobicContact CE2-CG2 4.21Å; A198-V202 WeakPolarHBondContact O-CB 3.31Å; A198-V202 VanDerWaalsContact O-CG2 3.31Å; A198-V202 WeakPolarHBondContact O-CG2 3.49Å; A198-V202 PolarHBondContact O-N 3.46Å; V199-V202 PolarHBondContact O-N 2.78Å; V202-L204 VanDerWaalsContact C-N 3.35Å; V202-L204 PolarHBondContact O-N 3.15Å; V202-F205 PolarHBondContact O-N 3.29Å; V202-Q206 VanDerWaalsContact CG1-CD 3.49Å; V202-Q206 HydrophobicContact CG1-CG 4.09Å; V202-Q206 VanDerWaalsContact CG1-NE2 3.3Å; V202-Q206 WeakPolarHBondContact O-CB 3.35Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.31Å; V202-Q206 PolarHBondContact O-N 3.44Å
203D94Very high91.5Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-59.1-43.4178.1-71.4-8.9000112.1S74 A77 V199 W201 F205 Q206 L207 R280 S365S74-D203 PolarHBondContact OG-OD2 2.76Å; A77-D203 HydrophobicContact CB-CB 3.89Å; V199-D203 WeakPolarHBondContact O-CB 3.4Å; V199-D203 PolarHBondContact O-N 3.41Å; W201-D203 VanDerWaalsContact C-N 3.33Å; D203-F205 VanDerWaalsContact C-N 3.33Å; D203-F205 PolarHBondContact O-N 2.88Å; D203-Q206 PolarHBondContact O-N 3.26Å; D203-L207 VanDerWaalsContact O-CB 3.31Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 PolarHBondContact O-N 3.22Å; D203-R280 IonicContact OD2-CZ 3.54Å; D203-R280 IonicContact OD2-NH2 3.91Å; D203-R280 PolarHBondContact OD2-NH2 3.39Å; D203-S365 VanDerWaalsContact OD1-CA 3.3Å; D203-S365 WeakPolarHBondContact OD1-CA 3.4Å; D203-S365 WeakPolarHBondContact OD1-CB 3.46Å
204L93.4Very high91.6Very high20 Ų2026.2 Ų26.211%0.10513%0.133CC..Hα-helixtrans-60.4-44.5177.1174.764.3000111.3L69 V200 W201 V202 L207 I208L69-L204 HydrophobicContact CD1-CD1 4.49Å; L69-L204 HydrophobicContact CD2-CD2 4.45Å; L69-L204 HydrophobicContact CG-CD2 4.12Å; V200-L204 PolarHBondContact O-N 2.9Å; V200-L204 VanDerWaalsContact O-N 3.12Å; W201-L204 HydrophobicContact CE3-CD2 4.18Å; W201-L204 HydrophobicContact CZ3-CD2 4.06Å; W201-L204 PolarHBondContact O-N 3.2Å; V202-L204 VanDerWaalsContact C-N 3.35Å; V202-L204 PolarHBondContact O-N 3.15Å; L204-L207 PolarHBondContact O-N 3Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.98Å
205F90.9Very high91.8Very high93 Ų9328.6 Ų28.641%0.40815%0.147SC..Hα-helixtrans-67.8-42.2178.2-178.3-87.7000111.4Y20 W201 V202 D203 L207 I208 V209Y20-F205 HydrophobicContact CD1-CD1 4.34Å; Y20-F205 AromaticContact CE1-CD1 3.68Å; Y20-F205 HydrophobicContact CE1-CD1 3.68Å; Y20-F205 AromaticContact CE1-CE1 3.87Å; Y20-F205 HydrophobicContact CE1-CE1 3.87Å; W201-F205 PolarHBondContact O-N 2.63Å; W201-F205 VanDerWaalsContact O-N 3.16Å; V202-F205 PolarHBondContact O-N 3.29Å; D203-F205 VanDerWaalsContact C-N 3.33Å; D203-F205 PolarHBondContact O-N 2.88Å; F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 2.97Å; F205-I208 PolarHBondContact O-N 3.36Å; F205-V209 HydrophobicContact CD1-CG2 4.04Å; F205-V209 HydrophobicContact CE1-CG2 3.65Å; F205-V209 HydrophobicContact CZ-CG2 4.12Å; F205-V209 WeakPolarHBondContact O-CG2 3.27Å; F205-V209 PolarHBondContact O-N 3.1Å
206Q91.9Very high91.7Very high2 Ų232 Ų321%0.00917%0.165CC..Hα-helixtrans-60.3-39.6175.3-77.8177.9-1100112.1Y20 V202 D203 I208 V209 L210 A361 L364Y20-Q206 HydrophobicContact CD1-CG 4.17Å; Y20-Q206 HydrophobicContact CE1-CG 3.63Å; Y20-Q206 HydrophobicContact CE2-CG 4.35Å; V202-Q206 VanDerWaalsContact CG1-CD 3.49Å; V202-Q206 HydrophobicContact CG1-CG 4.09Å; V202-Q206 VanDerWaalsContact CG1-NE2 3.3Å; V202-Q206 WeakPolarHBondContact O-CB 3.35Å; V202-Q206 VanDerWaalsContact O-CG 3.28Å; V202-Q206 WeakPolarHBondContact O-CG 3.31Å; V202-Q206 PolarHBondContact O-N 3.44Å; D203-Q206 PolarHBondContact O-N 3.26Å; Q206-I208 PolarHBondContact O-N 2.59Å; Q206-V209 PolarHBondContact O-N 3.01Å; Q206-L210 WeakPolarHBondContact O-CB 3.28Å; Q206-L210 PolarHBondContact O-N 3.23Å; Q206-A361 HydrophobicContact CB-CB 3.82Å; Q206-A361 HydrophobicContact CG-CB 3.71Å; Q206-A361 PolarHBondContact OE1-O 3.43Å; Q206-A361 VanDerWaalsContact OE1-O 3.07Å; Q206-L364 VanDerWaalsContact NE2-CB 3.35Å
207L91.5Very high91.6Very high14 Ų1432 Ų327%0.07317%0.165CC..Hα-helixtrans-60.8-43.6174.5-179.567.4000111.8M76 A77 L80 D203 L204 F205 L210 I211M76-L207 HydrophobicContact CB-CD2 4.15Å; M76-L207 HydrophobicContact CE-CD1 4.02Å; M76-L207 HydrophobicContact CG-CD1 4.03Å; M76-L207 HydrophobicContact CG-CD2 4.18Å; M76-L207 HydrophobicContact SD-CD1 3.92Å; M76-L207 HydrophobicContact SD-CD2 3.66Å; M76-L207 HydrophobicContact SD-CG 4.36Å; A77-L207 HydrophobicContact CB-CB 4.31Å; L80-L207 HydrophobicContact CD1-CD1 3.89Å; D203-L207 VanDerWaalsContact O-CB 3.31Å; D203-L207 WeakPolarHBondContact O-CB 3.47Å; D203-L207 PolarHBondContact O-N 3.22Å; L204-L207 PolarHBondContact O-N 3Å; F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 2.97Å; L207-L210 PolarHBondContact O-N 3.45Å; L207-I211 HydrophobicContact CD1-CD1 3.88Å; L207-I211 HydrophobicContact CD1-CG1 4.15Å; L207-I211 HydrophobicContact CG-CD1 3.87Å; L207-I211 HydrophobicContact CG-CG1 4.42Å; L207-I211 VanDerWaalsContact O-CG1 3.31Å; L207-I211 WeakPolarHBondContact O-CG1 3.45Å; L207-I211 PolarHBondContact O-N 3.33Å
208I90.7Very high91.7Very high102 Ų10230.8 Ų30.852%0.52316%0.162SC..Hα-helixtrans-63.3-46.7177.8-66.9165.4000110.5L204 F205 Q206 L210 S212L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.98Å; F205-I208 PolarHBondContact O-N 3.36Å; Q206-I208 PolarHBondContact O-N 2.59Å; I208-L210 VanDerWaalsContact C-N 3.26Å; I208-L210 PolarHBondContact O-N 3.16Å; I208-S212 WeakPolarHBondContact O-CB 3.37Å; I208-S212 PolarHBondContact O-N 3.04Å; I208-S212 PolarHBondContact O-OG 3.14Å
209V89.2Confident91.8Very high28 Ų2835.5 Ų35.517%0.1719%0.186CC..Hα-helixtrans-58.5-43.9175.9172.40000110F205 Q206 S212 G213 V358F205-V209 HydrophobicContact CD1-CG2 4.04Å; F205-V209 HydrophobicContact CE1-CG2 3.65Å; F205-V209 HydrophobicContact CZ-CG2 4.12Å; F205-V209 WeakPolarHBondContact O-CG2 3.27Å; F205-V209 PolarHBondContact O-N 3.1Å; Q206-V209 PolarHBondContact O-N 3.01Å; V209-S212 PolarHBondContact O-OG 3.48Å; V209-G213 PolarHBondContact O-N 3.12Å; V209-V358 HydrophobicContact CG1-CG2 3.84Å; V209-V358 WeakPolarHBondContact O-CG2 3.34Å
210L90.3Very high91.7Very high4 Ų437.9 Ų37.92%0.02120%0.199CC..Hα-helixtrans-68.1-46.6-176.3176.1149.2000113.4I85 Q206 L207 I208 L214 F304 V358 A362I85-L210 HydrophobicContact CD1-CD1 3.33Å; I85-L210 HydrophobicContact CD1-CD2 4.01Å; I85-L210 HydrophobicContact CD1-CG 3.8Å; Q206-L210 WeakPolarHBondContact O-CB 3.28Å; Q206-L210 PolarHBondContact O-N 3.23Å; L207-L210 PolarHBondContact O-N 3.45Å; I208-L210 VanDerWaalsContact C-N 3.26Å; I208-L210 PolarHBondContact O-N 3.16Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 PolarHBondContact O-N 2.61Å; L210-F304 HydrophobicContact CD2-CE1 3.9Å; L210-F304 HydrophobicContact CD2-CE2 3.52Å; L210-F304 HydrophobicContact CD2-CZ 3.13Å; L210-F304 HydrophobicContact CG-CZ 4.37Å; L210-V358 HydrophobicContact CB-CG1 4.33Å; L210-V358 HydrophobicContact CG-CG1 4.31Å; L210-A362 HydrophobicContact CD1-CB 3.31Å
211I89.9Confident91.7Very high59 Ų5937.9 Ų37.930%0.30320%0.199SC..Hα-helixtrans-62.8-47.7176.2-66.9173.8000110.2M76 L207 G213 L214 C215 F304M76-I211 HydrophobicContact CE-CD1 4.06Å; L207-I211 HydrophobicContact CD1-CD1 3.88Å; L207-I211 HydrophobicContact CD1-CG1 4.15Å; L207-I211 HydrophobicContact CG-CD1 3.87Å; L207-I211 HydrophobicContact CG-CG1 4.42Å; L207-I211 VanDerWaalsContact O-CG1 3.31Å; L207-I211 WeakPolarHBondContact O-CG1 3.45Å; L207-I211 PolarHBondContact O-N 3.33Å; I211-G213 PolarHBondContact O-N 3.37Å; I211-L214 PolarHBondContact O-N 2.82Å; I211-C215 WeakPolarHBondContact O-CB 3.36Å; I211-C215 PolarHBondContact O-N 3.43Å; I211-C215 PolarHBondContact O-SG 2.87Å; I211-F304 HydrophobicContact CB-CE2 4.47Å; I211-F304 HydrophobicContact CD1-CD2 4.38Å; I211-F304 HydrophobicContact CG1-CD2 3.67Å; I211-F304 HydrophobicContact CG1-CE2 3.75Å
212S90.2Very high91.9Very high67 Ų6733.4 Ų33.447%0.46918%0.184SC..Hα-helixtrans-62.7-43.4-179.256.70000112.1I208 V209 L216I208-S212 WeakPolarHBondContact O-CB 3.37Å; I208-S212 PolarHBondContact O-N 3.04Å; I208-S212 PolarHBondContact O-OG 3.14Å; V209-S212 PolarHBondContact O-OG 3.48Å; S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 PolarHBondContact O-N 3.28Å
213G89.1Confident92Very high6 Ų638.7 Ų38.76%0.06221%0.211CC..Hα-helixtrans-63.5-43.6177.300000113.7V209 I211 L216 I217V209-G213 PolarHBondContact O-N 3.12Å; I211-G213 PolarHBondContact O-N 3.37Å; G213-L216 PolarHBondContact O-N 2.87Å; G213-I217 WeakPolarHBondContact O-CG1 3.32Å; G213-I217 PolarHBondContact O-N 3.45Å; G213-I217 VanDerWaalsContact O-N 3.1Å
214L90.3Very high91.9Very high3 Ų345.6 Ų45.62%0.01624%0.241CC..Hα-helixtrans-68.5-41.8179.4-169.965.1000112I85 L210 I211 I217 T218 F304 V307 Q308 T311I85-L214 HydrophobicContact CG2-CD1 4.46Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 PolarHBondContact O-N 2.61Å; I211-L214 PolarHBondContact O-N 2.82Å; L214-I217 PolarHBondContact O-N 2.99Å; L214-T218 WeakPolarHBondContact O-CB 3.45Å; L214-T218 PolarHBondContact O-N 3.48Å; L214-T218 PolarHBondContact O-OG1 2.89Å; L214-F304 HydrophobicContact CD2-CE2 3.75Å; L214-F304 HydrophobicContact CD2-CZ 3.61Å; L214-V307 HydrophobicContact CD2-CG1 3.89Å; L214-V307 HydrophobicContact CG-CG1 4.03Å; L214-Q308 HydrophobicContact CD2-CB 4.41Å; L214-Q308 HydrophobicContact CD2-CG 3.59Å; L214-T311 HydrophobicContact CD1-CG2 3.86Å
215C91.8Very high92Very high55 Ų5545.4 Ų45.437%0.37224%0.241SC..Hα-helixtrans-60.5-44.6173.6-73.30000111.8I211 I217 T218 L219I211-C215 WeakPolarHBondContact O-CB 3.36Å; I211-C215 PolarHBondContact O-N 3.43Å; I211-C215 PolarHBondContact O-SG 2.87Å; C215-I217 PolarHBondContact O-N 3.46Å; C215-T218 PolarHBondContact O-N 3.29Å; C215-L219 WeakPolarHBondContact O-CB 3.17Å; C215-L219 PolarHBondContact O-N 2.83Å
216L91Very high92.2Very high73 Ų7343.6 Ų43.638%0.38225%0.248SC..Hα-helixtrans-59.3-47.1178.4177.762.5000111.9S212 G213 T218 L219 L220S212-L216 WeakPolarHBondContact O-CB 3.41Å; S212-L216 PolarHBondContact O-N 3.28Å; G213-L216 PolarHBondContact O-N 2.87Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.3Å; L216-L219 PolarHBondContact O-N 3.43Å; L216-L220 HydrophobicContact CD1-CD1 4.05Å; L216-L220 HydrophobicContact CD1-CG 4.3Å; L216-L220 HydrophobicContact CG-CD1 4.05Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.45Å
217I90.9Very high92.4Very high3 Ų344.6 Ų44.62%0.01526%0.259CS..Hα-helixtrans-62.7-44.6178.7-75.2162.1000111G213 L214 C215 L219 L220 I221 V341 F345 F355G213-I217 WeakPolarHBondContact O-CG1 3.32Å; G213-I217 PolarHBondContact O-N 3.45Å; G213-I217 VanDerWaalsContact O-N 3.1Å; L214-I217 PolarHBondContact O-N 2.99Å; C215-I217 PolarHBondContact O-N 3.46Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.21Å; I217-L220 PolarHBondContact O-N 3.12Å; I217-I221 HydrophobicContact CG2-CD1 3.59Å; I217-I221 HydrophobicContact CG2-CG1 4.24Å; I217-I221 VanDerWaalsContact O-CG1 3.26Å; I217-I221 WeakPolarHBondContact O-CG1 3.33Å; I217-I221 PolarHBondContact O-N 3.36Å; I217-V341 HydrophobicContact CD1-CG2 3.55Å; I217-V341 HydrophobicContact CG1-CG2 4.17Å; I217-V341 HydrophobicContact CG2-CG2 4.35Å; I217-F345 HydrophobicContact CG1-CE2 4.06Å; I217-F345 HydrophobicContact CG1-CZ 4.32Å; I217-F355 HydrophobicContact CD1-CB 4.24Å; I217-F355 HydrophobicContact CD1-CD1 4.5Å; I217-F355 HydrophobicContact CD1-CD2 2.95Å; I217-F355 HydrophobicContact CD1-CE2 3.14Å; I217-F355 HydrophobicContact CD1-CG 3.67Å; I217-F355 HydrophobicContact CD1-CZ 3.99Å; I217-F355 HydrophobicContact CG1-CD2 4.41Å
218T93.5Very high92.7Very high9 Ų949.6 Ų49.66%0.05528%0.28CS..Hα-helixtrans-63.4-40.7-178.8-54.70000111.4L214 C215 L216 T222 F310 T311 A314L214-T218 WeakPolarHBondContact O-CB 3.45Å; L214-T218 PolarHBondContact O-N 3.48Å; L214-T218 PolarHBondContact O-OG1 2.89Å; C215-T218 PolarHBondContact O-N 3.29Å; L216-T218 VanDerWaalsContact C-N 3.33Å; L216-T218 PolarHBondContact O-N 3.3Å; T218-T222 WeakPolarHBondContact O-CB 3.47Å; T218-T222 PolarHBondContact O-N 2.99Å; T218-T222 PolarHBondContact O-OG1 3.41Å; T218-F310 HydrophobicContact CG2-CD1 3.26Å; T218-F310 HydrophobicContact CG2-CE1 3.52Å; T218-F310 HydrophobicContact CG2-CG 4.4Å; T218-T311 WeakPolarHBondContact OG1-CB 3.49Å; T218-T311 PolarHBondContact OG1-OG1 2.98Å; T218-A314 HydrophobicContact CG2-CB 4.46Å
219L93.7Very high93Very high99 Ų9953.1 Ų53.152%0.51829%0.294SS..Hα-helixtrans-60-49.6173.1177.563.8000111.4C215 L216 I217 I221 T222 L223C215-L219 WeakPolarHBondContact O-CB 3.17Å; C215-L219 PolarHBondContact O-N 2.83Å; L216-L219 PolarHBondContact O-N 3.43Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.21Å; L219-I221 PolarHBondContact O-N 3.04Å; L219-T222 WeakPolarHBondContact O-CB 3.48Å; L219-T222 PolarHBondContact O-N 3.43Å; L219-L223 HydrophobicContact CD1-CD1 4.45Å; L219-L223 HydrophobicContact CD1-CG 4.45Å; L219-L223 HydrophobicContact CG-CD1 4.25Å; L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 2.96Å
220L92.8Very high93.4Very high50 Ų5059.7 Ų59.726%0.26232%0.316SS..Hα-helixtrans-66-39-177.6-71.8170.7000113L216 I217 T222 L223 K224 L344 F345L216-L220 HydrophobicContact CD1-CD1 4.05Å; L216-L220 HydrophobicContact CD1-CG 4.3Å; L216-L220 HydrophobicContact CG-CD1 4.05Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.45Å; I217-L220 PolarHBondContact O-N 3.12Å; L220-T222 VanDerWaalsContact C-N 3.32Å; L220-L223 PolarHBondContact O-N 3.19Å; L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 3.04Å; L220-L344 HydrophobicContact CB-CD1 4.43Å; L220-L344 HydrophobicContact CB-CD2 3.67Å; L220-L344 HydrophobicContact CB-CG 4.36Å; L220-L344 HydrophobicContact CD1-CD2 4.33Å; L220-F345 HydrophobicContact CD1-CE1 3.34Å; L220-F345 HydrophobicContact CD1-CZ 3.34Å
221I94.6Very high93.7Very high0 Ų059.5 Ų59.50%032%0.315CS..Hα-helixtrans-60.6-46.9172.3-64.8166.6000109.5I217 L219 L223 K224 V225 A314 I315 Y318 I340 L344I217-I221 HydrophobicContact CG2-CD1 3.59Å; I217-I221 HydrophobicContact CG2-CG1 4.24Å; I217-I221 VanDerWaalsContact O-CG1 3.26Å; I217-I221 WeakPolarHBondContact O-CG1 3.33Å; I217-I221 PolarHBondContact O-N 3.36Å; L219-I221 PolarHBondContact O-N 3.04Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.99Å; I221-K224 PolarHBondContact O-N 3.45Å; I221-K224 VanDerWaalsContact O-N 3.14Å; I221-V225 HydrophobicContact CG2-CG2 4.27Å; I221-V225 WeakPolarHBondContact O-CG2 3.05Å; I221-V225 PolarHBondContact O-N 3.47Å; I221-A314 HydrophobicContact CB-CB 4.22Å; I221-A314 HydrophobicContact CG2-CB 3.74Å; I221-A314 VanDerWaalsContact CG2-O 3.25Å; I221-A314 WeakPolarHBondContact CG2-O 3.48Å; I221-I315 HydrophobicContact CD1-CG1 3.74Å; I221-Y318 HydrophobicContact CG2-CD2 4.44Å; I221-I340 HydrophobicContact CD1-CG1 3.91Å; I221-I340 HydrophobicContact CD1-CG2 4.25Å; I221-I340 HydrophobicContact CG1-CG1 4.06Å; I221-L344 HydrophobicContact CG1-CD2 4.02Å
222T96.2Very high94.1Very high15 Ų1560.4 Ų60.49%0.09232%0.315CS..Hα-helixtrans-57.4-43.1178.1-57.60000111.6T218 L219 L220 V225 G226 G227 F228 L231T218-T222 WeakPolarHBondContact O-CB 3.47Å; T218-T222 PolarHBondContact O-N 2.99Å; T218-T222 PolarHBondContact O-OG1 3.41Å; L219-T222 WeakPolarHBondContact O-CB 3.48Å; L219-T222 PolarHBondContact O-N 3.43Å; L220-T222 VanDerWaalsContact C-N 3.32Å; T222-V225 PolarHBondContact O-N 3.37Å; T222-G226 PolarHBondContact O-N 2.96Å; T222-G227 WeakPolarHBondContact O-CA 3.41Å; T222-G227 PolarHBondContact O-N 3.21Å; T222-F228 HydrophobicContact CG2-CB 4.13Å; T222-L231 HydrophobicContact CG2-CD1 4.08Å; T222-L231 WeakPolarHBondContact OG1-CD1 3.45Å
223L95.1Very high94.5Very high110 Ų11058.6 Ų58.658%0.57631%0.306SS*.Hα-helixtrans-64.8-44176.4-67.8173.7000112L219 L220 I221 V225 G226L219-L223 HydrophobicContact CD1-CD1 4.45Å; L219-L223 HydrophobicContact CD1-CG 4.45Å; L219-L223 HydrophobicContact CG-CD1 4.25Å; L219-L223 WeakPolarHBondContact O-CG 3.46Å; L219-L223 PolarHBondContact O-N 2.96Å; L220-L223 PolarHBondContact O-N 3.19Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.99Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 3.42Å; L223-G226 PolarHBondContact O-N 3.42Å; L223-G226 VanDerWaalsContact O-N 3.08Å
224K93.7Very high94.8Very high146 Ų14660 Ų6064%0.63531%0.312SS*.Hα-helixtrans-66.7-31178.9-73.7-69.9-171.5175.90113.7L220 I221 G226 Y318 L344L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 3.04Å; I221-K224 PolarHBondContact O-N 3.45Å; I221-K224 VanDerWaalsContact O-N 3.14Å; K224-G226 PolarHBondContact O-N 3.46Å; K224-Y318 HydrophobicContact CB-CD2 4.25Å; K224-Y318 HydrophobicContact CB-CE2 3.97Å; K224-L344 HydrophobicContact CB-CD1 4.49Å; K224-L344 HydrophobicContact CG-CD1 3.63Å
225V95.3Very high95.2Very high16 Ų1659.9 Ų59.910%0.09731%0.312CS..Hα-helixtrans-69-18.9173.7172.20000111.8I221 T222 L223 R230 L231 I234 A317 Y318I221-V225 HydrophobicContact CG2-CG2 4.27Å; I221-V225 WeakPolarHBondContact O-CG2 3.05Å; I221-V225 PolarHBondContact O-N 3.47Å; T222-V225 PolarHBondContact O-N 3.37Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 3.42Å; V225-R230 HydrophobicContact CG1-CG 4.32Å; V225-R230 VanDerWaalsContact O-CD 3.24Å; V225-R230 WeakPolarHBondContact O-CD 3.35Å; V225-L231 HydrophobicContact CB-CB 4.46Å; V225-L231 HydrophobicContact CG1-CB 3.86Å; V225-I234 HydrophobicContact CG1-CD1 3.89Å; V225-A317 HydrophobicContact CG1-CB 4.24Å; V225-A317 HydrophobicContact CG2-CB 4.29Å; V225-Y318 HydrophobicContact CG2-CD2 4.24Å
226G95.4Very high95.4Very high55 Ų5560.9 Ų60.957%0.56731%0.312SS*.THydrogen-bonded Turntrans105.223.6-17700000113.8T222 L223 K224T222-G226 PolarHBondContact O-N 2.96Å; L223-G226 PolarHBondContact O-N 3.42Å; L223-G226 VanDerWaalsContact O-N 3.08Å; K224-G226 PolarHBondContact O-N 3.46Å
227G96.2Very high95.6Very high22 Ų2263.9 Ų63.923%0.22733%0.329CS..SBendtrans100.7167.9176.500000114.3T222 Q229 R230 L231T222-G227 WeakPolarHBondContact O-CA 3.41Å; T222-G227 PolarHBondContact O-N 3.21Å; G227-Q229 PolarHBondContact O-N 2.9Å; G227-R230 PolarHBondContact O-N 3.21Å; G227-L231 PolarHBondContact O-N 3.37Å; G227-L231 VanDerWaalsContact O-N 3.11Å
228F96.6Very high95.8Very high119 Ų11964 Ų6452%0.52233%0.331SS..Hα-helixtrans-59.2-42.4-173.6179.3-95.5000113T222 R230 L231 W232 F310T222-F228 HydrophobicContact CG2-CB 4.13Å; F228-R230 PolarHBondContact O-N 2.91Å; F228-L231 PolarHBondContact O-N 3.04Å; F228-W232 HydrophobicContact CE1-CB 4.3Å; F228-W232 HydrophobicContact CE1-CG 4.43Å; F228-W232 HydrophobicContact CE2-CE3 4.35Å; F228-W232 HydrophobicContact CZ-CB 4.48Å; F228-W232 HydrophobicContact CZ-CD2 4.22Å; F228-W232 HydrophobicContact CZ-CE3 4.06Å; F228-W232 HydrophobicContact CZ-CG 4.42Å; F228-W232 WeakPolarHBondContact O-CB 3.34Å; F228-W232 PolarHBondContact O-N 2.7Å; F228-F310 HydrophobicContact CD2-CE2 4.25Å; F228-F310 AromaticContact CD2-CZ 3.75Å; F228-F310 HydrophobicContact CD2-CZ 3.75Å; F228-F310 AromaticContact CE2-CE2 3.68Å; F228-F310 HydrophobicContact CE2-CE2 3.68Å; F228-F310 AromaticContact CE2-CZ 3.62Å; F228-F310 HydrophobicContact CE2-CZ 3.62Å
229Q97.2Very high95.8Very high176 Ų17668.7 Ų68.782%0.82235%0.352SS*.Hα-helixtrans-63.1-43.5-177-174171.3-1.700112.2G227 W232 G233G227-Q229 PolarHBondContact O-N 2.9Å; Q229-W232 PolarHBondContact O-N 3.31Å; Q229-G233 PolarHBondContact O-N 3.31Å
230R97.2Very high95.9Very high167 Ų16764.2 Ų64.263%0.6333%0.328SS*.Hα-helixtrans-66.8-43.8176.4-179.7163.7177.9156.73.2111.6V225 G227 F228 W232 G233 I234V225-R230 HydrophobicContact CG1-CG 4.32Å; V225-R230 VanDerWaalsContact O-CD 3.24Å; V225-R230 WeakPolarHBondContact O-CD 3.35Å; G227-R230 PolarHBondContact O-N 3.21Å; F228-R230 PolarHBondContact O-N 2.91Å; R230-W232 VanDerWaalsContact C-N 3.34Å; R230-W232 PolarHBondContact O-N 3.48Å; R230-G233 PolarHBondContact O-N 2.88Å; R230-I234 HydrophobicContact CG-CD1 4.05Å; R230-I234 WeakPolarHBondContact O-CG1 3.38Å; R230-I234 PolarHBondContact O-N 3.02Å
231L98Very high95.9Very high0 Ų063.6 Ų63.60%033%0.327CS..Hα-helixtrans-56.7-49.1175.1-179.9157.5000111T222 V225 G227 F228 G233 I234 V235 F310 A314 A317T222-L231 HydrophobicContact CG2-CD1 4.08Å; T222-L231 WeakPolarHBondContact OG1-CD1 3.45Å; V225-L231 HydrophobicContact CB-CB 4.46Å; V225-L231 HydrophobicContact CG1-CB 3.86Å; G227-L231 PolarHBondContact O-N 3.37Å; G227-L231 VanDerWaalsContact O-N 3.11Å; F228-L231 PolarHBondContact O-N 3.04Å; L231-G233 PolarHBondContact O-N 3.37Å; L231-I234 PolarHBondContact O-N 3.03Å; L231-V235 HydrophobicContact CD2-CG2 4.08Å; L231-V235 VanDerWaalsContact O-CG2 3.24Å; L231-V235 WeakPolarHBondContact O-CG2 3.3Å; L231-V235 PolarHBondContact O-N 3.23Å; L231-F310 HydrophobicContact CD1-CZ 4.36Å; L231-F310 HydrophobicContact CD2-CE2 3.79Å; L231-F310 HydrophobicContact CD2-CZ 3.87Å; L231-A314 HydrophobicContact CD1-CB 3.68Å; L231-A317 HydrophobicContact CB-CB 4.35Å; L231-A317 HydrophobicContact CD1-CB 4.47Å; L231-A317 HydrophobicContact CG-CB 3.73Å
232W97.4Very high95.6Very high78 Ų7870.5 Ų70.530%0.29536%0.359SS..Hα-helixtrans-65.4-38.8-178.6-161.1-107.4000112.3F228 Q229 R230 V235 I236 V241 F310 L313F228-W232 HydrophobicContact CE1-CB 4.3Å; F228-W232 HydrophobicContact CE1-CG 4.43Å; F228-W232 HydrophobicContact CE2-CE3 4.35Å; F228-W232 HydrophobicContact CZ-CB 4.48Å; F228-W232 HydrophobicContact CZ-CD2 4.22Å; F228-W232 HydrophobicContact CZ-CE3 4.06Å; F228-W232 HydrophobicContact CZ-CG 4.42Å; F228-W232 WeakPolarHBondContact O-CB 3.34Å; F228-W232 PolarHBondContact O-N 2.7Å; Q229-W232 PolarHBondContact O-N 3.31Å; R230-W232 VanDerWaalsContact C-N 3.34Å; R230-W232 PolarHBondContact O-N 3.48Å; W232-V235 PolarHBondContact O-N 2.86Å; W232-I236 VanDerWaalsContact CD1-CD1 3.47Å; W232-I236 HydrophobicContact CG-CD1 4.43Å; W232-I236 WeakPolarHBondContact O-CG1 3.44Å; W232-I236 PolarHBondContact O-N 3.43Å; W232-V241 HydrophobicContact CH2-CG1 4.5Å; W232-V241 HydrophobicContact CH2-CG2 4.18Å; W232-V241 HydrophobicContact CZ2-CG1 4.09Å; W232-V241 HydrophobicContact CZ2-CG2 3.92Å; W232-F310 HydrophobicContact CE3-CE2 4.23Å; W232-F310 HydrophobicContact CZ3-CD2 4.34Å; W232-F310 HydrophobicContact CZ3-CE2 4.18Å; W232-L313 HydrophobicContact CZ3-CD1 4.5Å
233G97.6Very high95.2Very high28 Ų2870.6 Ų70.629%0.28936%0.36SS..Hα-helixtrans-57-50.6172.500000112.3Q229 R230 L231 V235 I236 D237Q229-G233 PolarHBondContact O-N 3.31Å; R230-G233 PolarHBondContact O-N 2.88Å; L231-G233 PolarHBondContact O-N 3.37Å; G233-V235 VanDerWaalsContact C-N 3.28Å; G233-V235 PolarHBondContact O-N 3.34Å; G233-I236 PolarHBondContact O-N 3.2Å; G233-I236 VanDerWaalsContact O-N 3.16Å; G233-D237 VanDerWaalsContact O-CG 3.28Å; G233-D237 PolarHBondContact O-N 2.94Å
234I96.9Very high95.1Very high37 Ų3768.8 Ų68.819%0.1935%0.348CS..Hα-helixtrans-59.1-40.7177.7-65.4164.1000111.6V225 R230 L231 D237 G238 Y316 A317 A320V225-I234 HydrophobicContact CG1-CD1 3.89Å; R230-I234 HydrophobicContact CG-CD1 4.05Å; R230-I234 WeakPolarHBondContact O-CG1 3.38Å; R230-I234 PolarHBondContact O-N 3.02Å; L231-I234 PolarHBondContact O-N 3.03Å; I234-D237 PolarHBondContact O-N 3.21Å; I234-G238 PolarHBondContact O-N 2.98Å; I234-Y316 HydrophobicContact CG2-CE1 4.16Å; I234-A317 HydrophobicContact CB-CB 4.21Å; I234-A317 HydrophobicContact CD1-CB 4.39Å; I234-A317 HydrophobicContact CG2-CB 4.05Å; I234-A320 HydrophobicContact CG2-CB 3.38Å
235V97.1Very high95Very high0 Ų064.1 Ų64.10%033%0.33CS..Hα-helixtrans-67-38.4179.3172.20000111.6L231 W232 G233 Q239 R240 V241 L313 Y316 A317L231-V235 HydrophobicContact CD2-CG2 4.08Å; L231-V235 VanDerWaalsContact O-CG2 3.24Å; L231-V235 WeakPolarHBondContact O-CG2 3.3Å; L231-V235 PolarHBondContact O-N 3.23Å; W232-V235 PolarHBondContact O-N 2.86Å; G233-V235 VanDerWaalsContact C-N 3.28Å; G233-V235 PolarHBondContact O-N 3.34Å; V235-Q239 PolarHBondContact O-N 3.49Å; V235-R240 HydrophobicContact CG1-CB 3.79Å; V235-R240 PolarHBondContact O-N 2.92Å; V235-V241 HydrophobicContact CG1-CG2 3.65Å; V235-L313 HydrophobicContact CG1-CB 4.38Å; V235-L313 HydrophobicContact CG1-CD1 4.16Å; V235-L313 HydrophobicContact CG1-CD2 4Å; V235-L313 HydrophobicContact CG1-CG 4.41Å; V235-L313 HydrophobicContact CG2-CB 4.09Å; V235-Y316 HydrophobicContact CG2-CD1 4.21Å; V235-A317 HydrophobicContact CG2-CB 4.24Å
236I96.8Very high94.9Very high75 Ų7569.7 Ų69.739%0.38535%0.353SS..Hα-helixtrans-67.3-46.5174.1-71.3170.7000110.9W232 G233 G238 Q239 V241W232-I236 VanDerWaalsContact CD1-CD1 3.47Å; W232-I236 HydrophobicContact CG-CD1 4.43Å; W232-I236 WeakPolarHBondContact O-CG1 3.44Å; W232-I236 PolarHBondContact O-N 3.43Å; G233-I236 PolarHBondContact O-N 3.2Å; G233-I236 VanDerWaalsContact O-N 3.16Å; I236-G238 PolarHBondContact O-N 2.66Å; I236-Q239 WeakPolarHBondContact O-CA 3.5Å; I236-Q239 PolarHBondContact O-N 2.94Å; I236-V241 HydrophobicContact CG1-CG2 3.89Å
237D95.2Very high94.7Very high137 Ų13768.8 Ų68.873%0.73334%0.338SS*.Hα-helixtrans-62.2-32.8179.1-67.4-18.4000111.4G233 I234 Q239G233-D237 VanDerWaalsContact O-CG 3.28Å; G233-D237 PolarHBondContact O-N 2.94Å; I234-D237 PolarHBondContact O-N 3.21Å; D237-Q239 PolarHBondContact O-N 3.43Å
238G94.3Very high94.5Very high5 Ų573.1 Ų73.15%0.05236%0.36CS..THydrogen-bonded Turntrans-71.3-6.6168.900000114.4I234 I236 R240 Y316I234-G238 PolarHBondContact O-N 2.98Å; I236-G238 PolarHBondContact O-N 2.66Å; G238-R240 WeakPolarHBondContact O-CD 3.21Å; G238-R240 PolarHBondContact O-N 3.31Å; G238-R240 PolarHBondContact O-NE 3.09Å; G238-R240 PolarHBondContact O-NH1 3.39Å; G238-Y316 VanDerWaalsContact CA-OH 3.3Å; G238-Y316 WeakPolarHBondContact CA-OH 3.29Å
239Q94.3Very high94.1Very high108 Ų10870.4 Ų70.451%0.50535%0.351SS..THydrogen-bonded Turntrans62.223.9-173.6-45.2-177.9-56.100114.1V235 I236 D237V235-Q239 PolarHBondContact O-N 3.49Å; I236-Q239 WeakPolarHBondContact O-CA 3.5Å; I236-Q239 PolarHBondContact O-N 2.94Å; D237-Q239 PolarHBondContact O-N 3.43Å
240R95Very high93.7Very high5 Ų564.2 Ų64.22%0.01933%0.326CS..  trans-80.3-20.7-177.5-82.556.4176.1177.7-0.7112.8G96 I97 V235 G238 S243 L313 Y316 L492 P493G96-R240 CarbonylContact C-O 3.43Å; G96-R240 VanDerWaalsContact CA-O 3.26Å; G96-R240 WeakPolarHBondContact CA-O 3.47Å; I97-R240 PolarHBondContact N-O 2.9Å; V235-R240 HydrophobicContact CG1-CB 3.79Å; V235-R240 PolarHBondContact O-N 2.92Å; G238-R240 WeakPolarHBondContact O-CD 3.21Å; G238-R240 PolarHBondContact O-N 3.31Å; G238-R240 PolarHBondContact O-NE 3.09Å; G238-R240 PolarHBondContact O-NH1 3.39Å; R240-S243 PolarHBondContact O-OG 3.36Å; R240-L313 HydrophobicContact CB-CD2 3.81Å; R240-L313 HydrophobicContact CG-CD2 4.34Å; R240-Y316 HydrophobicContact CG-CD1 4.23Å; R240-Y316 HydrophobicContact CG-CE1 4.27Å; R240-Y316 VanDerWaalsContact CZ-CZ 3.41Å; R240-Y316 PolarHBondContact NH1-OH 3.41Å; R240-L492 HydrophobicContact CB-CD1 4.48Å; R240-L492 HydrophobicContact CG-CD1 3.91Å; R240-P493 PolarHBondContact NH1-O 2.72Å; R240-P493 PolarHBondContact NH2-O 3.24Å
241V93.6Very high93.3Very high37 Ų3758.6 Ų58.622%0.22431%0.306CS..SBendtrans-81.7-32.3174.1-167.60000111.7W232 V235 I236 S243 F244W232-V241 HydrophobicContact CH2-CG1 4.5Å; W232-V241 HydrophobicContact CH2-CG2 4.18Å; W232-V241 HydrophobicContact CZ2-CG1 4.09Å; W232-V241 HydrophobicContact CZ2-CG2 3.92Å; V235-V241 HydrophobicContact CG1-CG2 3.65Å; I236-V241 HydrophobicContact CG1-CG2 3.89Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 3.21Å; V241-F244 VanDerWaalsContact O-CE2 3.27Å; V241-F244 WeakPolarHBondContact O-CE2 3.36Å
242Q88.1Confident92.7Very high144 Ų14462.1 Ų62.167%0.67332%0.321SS*.SBendtrans-93.323.3-175.4-62.1177.1-3.400112.4F244Q242-F244 PolarHBondContact O-N 2.95Å
243S88.6Confident92.1Very high17 Ų1761.2 Ų61.212%0.11932%0.318CS..  trans-83.215.2-170.970.10000115.1C95 I97 Q98 R240 V241 D245C95-S243 WeakPolarHBondContact O-CB 3.5Å; C95-S243 PolarHBondContact O-OG 3.09Å; I97-S243 PolarHBondContact N-OG 3.5Å; Q98-S243 PolarHBondContact N-OG 3.07Å; Q98-S243 PolarHBondContact OE1-O 3.17Å; R240-S243 PolarHBondContact O-OG 3.36Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 3.21Å; S243-D245 PolarHBondContact O-N 3.44Å
244F92.8Very high91.6Very high72 Ų7260.5 Ų60.532%0.31631%0.307SS..  trans-75120.4-176.9-59.1-72.4000112.3I97 Q98 I100 L101 V241 Q242 F246I97-F244 HydrophobicContact CG2-CE1 4.37Å; I97-F244 HydrophobicContact CG2-CE2 4.24Å; I97-F244 HydrophobicContact CG2-CZ 3.79Å; Q98-F244 HydrophobicContact CB-CD1 4.43Å; Q98-F244 HydrophobicContact CG-CD1 4.27Å; I100-F244 HydrophobicContact CG2-CE1 3.88Å; I100-F244 HydrophobicContact CG2-CZ 4.19Å; L101-F244 HydrophobicContact CD1-CD1 3.69Å; L101-F244 HydrophobicContact CD1-CE1 4.18Å; L101-F244 HydrophobicContact CD2-CD1 4.27Å; L101-F244 HydrophobicContact CD2-CE1 4.04Å; L101-F244 HydrophobicContact CG-CD1 3.94Å; L101-F244 HydrophobicContact CG-CE1 3.89Å; V241-F244 VanDerWaalsContact O-CE2 3.27Å; V241-F244 WeakPolarHBondContact O-CE2 3.36Å; Q242-F244 PolarHBondContact O-N 2.95Å; F244-F246 HydrophobicContact CB-CD2 4.45Å; F244-F246 HydrophobicContact CB-CE2 3.72Å; F244-F246 HydrophobicContact CB-CZ 4.05Å
245D90.6Very high91.4Very high48 Ų4858.8 Ų58.826%0.25730%0.298SS..  trans-97.5120169.4-168.4-17.7000110.7S243 S247 K252 T255 L256S243-D245 PolarHBondContact O-N 3.44Å; D245-S247 WeakPolarHBondContact OD1-CB 3.16Å; D245-S247 PolarHBondContact OD1-N 3.21Å; D245-K252 IonicContact OD1-NZ 3.59Å; D245-K252 WeakPolarHBondContact OD2-CD 3.43Å; D245-K252 IonicContact OD2-NZ 2.71Å; D245-K252 PolarHBondContact OD2-NZ 2.94Å; D245-T255 HydrophobicContact CB-CG2 4.41Å; D245-T255 CarbonylContact O-C 3.48Å; D245-T255 VanDerWaalsContact O-CA 3.24Å; D245-T255 WeakPolarHBondContact O-CA 2.82Å; D245-T255 WeakPolarHBondContact O-CB 3.44Å; D245-L256 PolarHBondContact O-N 3.37Å
246F93.7Very high91.3Very high133 Ų13360.3 Ų60.358%0.58331%0.306SS*.  trans-95.64.5179.5-65.3-89.6000113.7F244 L256F244-F246 HydrophobicContact CB-CD2 4.45Å; F244-F246 HydrophobicContact CB-CE2 3.72Å; F244-F246 HydrophobicContact CB-CZ 4.05Å; F246-L256 HydrophobicContact CD1-CB 4.22Å; F246-L256 HydrophobicContact CD1-CD1 3.65Å; F246-L256 HydrophobicContact CE1-CD1 3.46Å; F246-L256 VanDerWaalsContact CE1-CD1 3.46Å
247S91.5Very high91.3Very high37 Ų3762.1 Ų62.126%0.25931%0.308SS..  trans-58.1137.5178.9-177.70000112D245 D249 T255D245-S247 WeakPolarHBondContact OD1-CB 3.16Å; D245-S247 PolarHBondContact OD1-N 3.21Å; S247-D249 PolarHBondContact O-N 3.2Å; S247-D249 WeakPolarHBondContact OG-CB 3.28Å; S247-D249 PolarHBondContact OG-N 3.46Å; S247-T255 VanDerWaalsContact O-CB 3.25Å; S247-T255 WeakPolarHBondContact O-CB 3.37Å; S247-T255 WeakPolarHBondContact O-CG2 3.41Å; S247-T255 PolarHBondContact O-OG1 3.2Å
248T91.5Very high91.2Very high112 Ų11255.6 Ų55.669%0.68727%0.273SS*.  trans-82.63.617652.50000113.3P250T248-P250 VanDerWaalsContact O-CD 3.29Å; T248-P250 WeakPolarHBondContact O-CD 3.37Å
249D89.2Confident91.2Very high62 Ų6255.3 Ų55.333%0.33227%0.271SS..  trans-69.8113.7179.1-178.1-1.9000111S247 F251 K252S247-D249 PolarHBondContact O-N 3.2Å; S247-D249 WeakPolarHBondContact OG-CB 3.28Å; S247-D249 PolarHBondContact OG-N 3.46Å; D249-F251 PolarHBondContact O-N 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.43Å; D249-F251 VanDerWaalsContact OD1-CD2 3.29Å; D249-F251 WeakPolarHBondContact OD1-CD2 3.11Å; D249-F251 PolarHBondContact OD1-N 3.25Å; D249-K252 HydrophobicContact CB-CD 4.28Å; D249-K252 HydrophobicContact CB-CG 4.11Å; D249-K252 PolarHBondContact O-N 3.19Å
250P88.6Confident91.3Very high46 Ų4652.1 Ų52.130%0.29926%0.257SS..THydrogen-bonded Turntrans-75.7-9.6-178.432.9-35.1000113.6T248 K252 L541 S542 Y545T248-P250 VanDerWaalsContact O-CD 3.29Å; T248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-K252 VanDerWaalsContact C-N 3.33Å; P250-L541 HydrophobicContact CB-CD1 4.12Å; P250-S542 PolarHBondContact O-N 3.48Å; P250-Y545 HydrophobicContact CB-CD2 3.91Å; P250-Y545 HydrophobicContact CB-CE2 3.72Å
251F88.1Confident91.3Very high50 Ų5056.1 Ų56.122%0.21928%0.278CS..THydrogen-bonded Turntrans-88.7-3.4177.2-55.6-84.2000112.3D249 W536 S537 S540 L541D249-F251 PolarHBondContact O-N 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.43Å; D249-F251 VanDerWaalsContact OD1-CD2 3.29Å; D249-F251 WeakPolarHBondContact OD1-CD2 3.11Å; D249-F251 PolarHBondContact OD1-N 3.25Å; F251-W536 AromaticContact CD1-NE1 3.74Å; F251-W536 AromaticContact CD2-CD1 3.61Å; F251-W536 AromaticContact CD2-NE1 3.28Å; F251-W536 VanDerWaalsContact CD2-NE1 3.28Å; F251-W536 AromaticContact CE1-CE2 3.86Å; F251-W536 AromaticContact CE1-CZ2 3.99Å; F251-W536 HydrophobicContact CE1-CZ2 3.99Å; F251-W536 AromaticContact CE1-NE1 3.38Å; F251-W536 AromaticContact CE2-CD1 3.71Å; F251-W536 AromaticContact CE2-CE2 3.92Å; F251-W536 HydrophobicContact CE2-CZ2 4.38Å; F251-W536 AromaticContact CE2-NE1 2.89Å; F251-W536 AromaticContact CG-CD1 3.94Å; F251-W536 AromaticContact CG-NE1 3.73Å; F251-W536 AromaticContact CZ-CE2 3.57Å; F251-W536 AromaticContact CZ-CZ2 3.66Å; F251-W536 HydrophobicContact CZ-CZ2 3.66Å; F251-W536 AromaticContact CZ-NE1 2.96Å; F251-S537 WeakPolarHBondContact CD1-O 3.34Å; F251-S540 CarbonylContact C-O 3.27Å; F251-S540 WeakPolarHBondContact CA-O 3.47Å; F251-L541 HydrophobicContact CD1-CB 4.31Å; F251-L541 HydrophobicContact CE1-CB 4.28Å; F251-L541 HydrophobicContact CE1-CD1 4.32Å
252K85.1Confident91.3Very high73 Ų7354.4 Ų54.432%0.31727%0.267SS..SBendtrans-79.3138.8166.2-74.3-173172.6-174.60110.6D245 D249 P250 H254 T255 S542D245-K252 IonicContact OD1-NZ 3.59Å; D245-K252 WeakPolarHBondContact OD2-CD 3.43Å; D245-K252 IonicContact OD2-NZ 2.71Å; D245-K252 PolarHBondContact OD2-NZ 2.94Å; D249-K252 HydrophobicContact CB-CD 4.28Å; D249-K252 HydrophobicContact CB-CG 4.11Å; D249-K252 PolarHBondContact O-N 3.19Å; P250-K252 VanDerWaalsContact C-N 3.33Å; K252-H254 PolarHBondContact O-N 3.42Å; K252-T255 HydrophobicContact CB-CG2 3.67Å; K252-T255 HydrophobicContact CD-CG2 3.93Å; K252-T255 HydrophobicContact CG-CG2 4.47Å; K252-S542 WeakPolarHBondContact O-CB 3.41Å
253R84.5Confident91.6Very high60 Ų6047.5 Ų47.523%0.22624%0.235CC..SBendtrans-55-55.8-177.5-177.6177.9173.8-146.4-18.5111.8E91 D488 S542 Y543E91-R253 IonicContact OE1-CZ 3.7Å; E91-R253 IonicContact OE1-NH1 3.95Å; E91-R253 IonicContact OE1-NH2 2.72Å; E91-R253 IonicContact OE2-CZ 2.75Å; E91-R253 IonicContact OE2-NH1 3.39Å; E91-R253 IonicContact OE2-NH2 3.98Å; E91-R253 PolarHBondContact OE2-NH2 3.41Å; R253-D488 IonicContact CZ-OD2 3.37Å; R253-D488 IonicContact NE-OD2 3.44Å; R253-D488 IonicContact NH1-OD2 3.75Å; R253-D488 PolarHBondContact NH1-OD2 2.59Å; R253-S542 PolarHBondContact O-OG 3.35Å; R253-Y543 HydrophobicContact CG-CE1 4.31Å
254H88.5Confident91.9Very high13 Ų1347.5 Ų47.56%0.0623%0.234CC..SBendtrans-131.9125.6177.7-64.5155.7000111.3E91 Q98 F99 K252 T258 L259 Y543E91-H254 IonicContact OE1-CE1 3.24Å; E91-H254 IonicContact OE1-ND1 3.7Å; E91-H254 PolarHBondContact OE1-ND1 3.03Å; Q98-H254 VanDerWaalsContact NE2-C 3.28Å; Q98-H254 PolarHBondContact NE2-O 3.43Å; F99-H254 AromaticContact CD2-CE1 3.6Å; F99-H254 AromaticContact CD2-NE2 3.88Å; F99-H254 AromaticContact CE2-CE1 3.97Å; F99-H254 AromaticContact CE2-NE2 3.88Å; K252-H254 PolarHBondContact O-N 3.42Å; H254-T258 WeakPolarHBondContact CA-OG1 3.32Å; H254-L259 HydrophobicContact CB-CD1 4.17Å; H254-L259 HydrophobicContact CB-CG 4.41Å; H254-Y543 AromaticContact NE2-CE1 3.65Å; H254-Y543 AromaticContact NE2-CZ 3.72Å; H254-Y543 PolarHBondContact NE2-OH 2.85Å
255T92.8Very high91.9Very high0 Ų044.5 Ų44.50%022%0.224CC..  trans-137.4170.7167.170.50000108.3D245 S247 K252 W257 T258 L259D245-T255 HydrophobicContact CB-CG2 4.41Å; D245-T255 CarbonylContact O-C 3.48Å; D245-T255 VanDerWaalsContact O-CA 3.24Å; D245-T255 WeakPolarHBondContact O-CA 2.82Å; D245-T255 WeakPolarHBondContact O-CB 3.44Å; S247-T255 VanDerWaalsContact O-CB 3.25Å; S247-T255 WeakPolarHBondContact O-CB 3.37Å; S247-T255 WeakPolarHBondContact O-CG2 3.41Å; S247-T255 PolarHBondContact O-OG1 3.2Å; K252-T255 HydrophobicContact CB-CG2 3.67Å; K252-T255 HydrophobicContact CD-CG2 3.93Å; K252-T255 HydrophobicContact CG-CG2 4.47Å; T255-W257 PolarHBondContact O-N 3.12Å; T255-W257 PolarHBondContact OG1-N 3.33Å; T255-T258 HydrophobicContact CG2-CG2 4.41Å; T255-T258 PolarHBondContact N-OG1 3.45Å; T255-T258 PolarHBondContact O-N 3.29Å; T255-T258 PolarHBondContact O-OG1 3.39Å; T255-T258 VanDerWaalsContact O-OG1 3.1Å; T255-T258 VanDerWaalsContact OG1-CG2 3.32Å; T255-T258 WeakPolarHBondContact OG1-CG2 3.33Å; T255-T258 PolarHBondContact OG1-N 3.01Å; T255-L259 WeakPolarHBondContact O-CB 3.32Å; T255-L259 WeakPolarHBondContact O-CG 3.34Å; T255-L259 PolarHBondContact O-N 3.4Å
256L95Very high92Very high33 Ų3342.9 Ų42.917%0.17322%0.215CC..Hα-helixtrans-51.7-43.7172.3178.9146.2000111.6L101 D245 F246 I260L101-L256 HydrophobicContact CD1-CB 3.89Å; L101-L256 HydrophobicContact CD1-CD1 4.35Å; L101-L256 HydrophobicContact CD1-CG 4.14Å; D245-L256 PolarHBondContact O-N 3.37Å; F246-L256 HydrophobicContact CD1-CB 4.22Å; F246-L256 HydrophobicContact CD1-CD1 3.65Å; F246-L256 HydrophobicContact CE1-CD1 3.46Å; F246-L256 VanDerWaalsContact CE1-CD1 3.46Å; L256-I260 HydrophobicContact CD2-CD1 3.92Å; L256-I260 HydrophobicContact CG-CD1 3.91Å; L256-I260 WeakPolarHBondContact O-CB 3.47Å; L256-I260 WeakPolarHBondContact O-CG1 3.29Å; L256-I260 PolarHBondContact O-N 3.13Å
257W95.4Very high92Very high112 Ų11236.6 Ų36.642%0.42419%0.187SC..Hα-helixtrans-71.6-43.4-178.1-56.5106.9000112.3T255 L259 I260 I261 G262 Y545T255-W257 PolarHBondContact O-N 3.12Å; T255-W257 PolarHBondContact OG1-N 3.33Å; W257-L259 VanDerWaalsContact C-N 3.28Å; W257-L259 PolarHBondContact O-N 3.15Å; W257-I260 PolarHBondContact O-N 2.91Å; W257-I261 HydrophobicContact CE3-CD1 3.76Å; W257-I261 HydrophobicContact CE3-CG1 4.41Å; W257-I261 HydrophobicContact CZ3-CD1 4.36Å; W257-I261 WeakPolarHBondContact O-CA 3.48Å; W257-I261 WeakPolarHBondContact O-CB 3.48Å; W257-I261 PolarHBondContact O-N 2.95Å; W257-G262 PolarHBondContact O-N 3.45Å; W257-Y545 PolarHBondContact O-OH 3.47Å
258T93.3Very high92.2Very high0 Ų035.5 Ų35.50%018%0.179CC..Iπ-helixtrans-64.1-37.3179.269.40000111.1H254 T255 G262 G263 L544 Y545H254-T258 WeakPolarHBondContact CA-OG1 3.32Å; T255-T258 HydrophobicContact CG2-CG2 4.41Å; T255-T258 PolarHBondContact N-OG1 3.45Å; T255-T258 PolarHBondContact O-N 3.29Å; T255-T258 PolarHBondContact O-OG1 3.39Å; T255-T258 VanDerWaalsContact O-OG1 3.1Å; T255-T258 VanDerWaalsContact OG1-CG2 3.32Å; T255-T258 WeakPolarHBondContact OG1-CG2 3.33Å; T255-T258 PolarHBondContact OG1-N 3.01Å; T258-G262 CarbonylContact O-C 3.44Å; T258-G262 WeakPolarHBondContact O-CA 3.39Å; T258-G262 PolarHBondContact O-N 3.07Å; T258-G262 VanDerWaalsContact O-N 3.1Å; T258-G263 PolarHBondContact O-N 3.24Å; T258-L544 WeakPolarHBondContact O-CD1 3.08Å; T258-Y545 HydrophobicContact CG2-CD2 3.96Å; T258-Y545 HydrophobicContact CG2-CE2 3.32Å; T258-Y545 PolarHBondContact N-OH 2.93Å
259L94.3Very high92.3Very high0 Ų030.2 Ų30.20%015%0.146CC..Iπ-helixtrans-75.7-38.4-178.4-73.5165.5000112.6Q98 F99 L101 L102 H254 T255 W257 G263 L544Q98-L259 HydrophobicContact CG-CD1 3.9Å; Q98-L259 VanDerWaalsContact O-CD1 3.27Å; Q98-L259 WeakPolarHBondContact O-CD1 3.32Å; F99-L259 HydrophobicContact CD2-CD2 3.6Å; F99-L259 HydrophobicContact CE2-CD2 3.88Å; F99-L259 HydrophobicContact CG-CD2 4.4Å; L101-L259 HydrophobicContact CB-CB 3.91Å; L101-L259 HydrophobicContact CB-CD1 3.94Å; L101-L259 HydrophobicContact CD1-CD1 4.43Å; L102-L259 HydrophobicContact CB-CD2 4.5Å; H254-L259 HydrophobicContact CB-CD1 4.17Å; H254-L259 HydrophobicContact CB-CG 4.41Å; T255-L259 WeakPolarHBondContact O-CB 3.32Å; T255-L259 WeakPolarHBondContact O-CG 3.34Å; T255-L259 PolarHBondContact O-N 3.4Å; W257-L259 VanDerWaalsContact C-N 3.28Å; W257-L259 PolarHBondContact O-N 3.15Å; L259-G263 VanDerWaalsContact O-CA 3.27Å; L259-G263 WeakPolarHBondContact O-CA 3.24Å; L259-G263 PolarHBondContact O-N 3.03Å; L259-L544 HydrophobicContact CD2-CD1 3.67Å; L259-L544 HydrophobicContact CG-CD1 4.2Å
260I96.6Very high92.5Very high41 Ų4127.9 Ų27.921%0.2113%0.134CC..Iπ-helixtrans-80.7-59.3178.1-62.8175.9000110.4L101 I108 L256 W257 T264L101-I260 WeakPolarHBondContact O-CG1 3.43Å; I108-I260 HydrophobicContact CD1-CG2 4.1Å; L256-I260 HydrophobicContact CD2-CD1 3.92Å; L256-I260 HydrophobicContact CG-CD1 3.91Å; L256-I260 WeakPolarHBondContact O-CB 3.47Å; L256-I260 WeakPolarHBondContact O-CG1 3.29Å; L256-I260 PolarHBondContact O-N 3.13Å; W257-I260 PolarHBondContact O-N 2.91Å; I260-T264 WeakPolarHBondContact O-CB 3.48Å; I260-T264 PolarHBondContact O-N 3.3Å; I260-T264 PolarHBondContact O-OG1 3.45Å
261I95.4Very high92.8Very high89 Ų8925.8 Ų25.846%0.45612%0.12SC..Iπ-helixtrans-76.3-52.8-173.8-57.3-179.6000110.6W257 T264 G265 Y545W257-I261 HydrophobicContact CE3-CD1 3.76Å; W257-I261 HydrophobicContact CE3-CG1 4.41Å; W257-I261 HydrophobicContact CZ3-CD1 4.36Å; W257-I261 WeakPolarHBondContact O-CA 3.48Å; W257-I261 WeakPolarHBondContact O-CB 3.48Å; W257-I261 PolarHBondContact O-N 2.95Å; I261-T264 WeakPolarHBondContact O-CB 3.4Å; I261-T264 PolarHBondContact O-N 3.4Å; I261-G265 PolarHBondContact O-N 3.04Å; I261-Y545 HydrophobicContact CB-CE1 4.16Å; I261-Y545 HydrophobicContact CG2-CE1 4.09Å
262G93.7Very high93.1Very high0 Ų023.5 Ų23.50%011%0.11CC..Iπ-helixtrans-62.8-45.817700000111.5W257 T258 T264 G265 L266 L544 Y545W257-G262 PolarHBondContact O-N 3.45Å; T258-G262 CarbonylContact O-C 3.44Å; T258-G262 WeakPolarHBondContact O-CA 3.39Å; T258-G262 PolarHBondContact O-N 3.07Å; T258-G262 VanDerWaalsContact O-N 3.1Å; G262-T264 VanDerWaalsContact C-N 3.27Å; G262-T264 PolarHBondContact O-N 3.02Å; G262-G265 PolarHBondContact O-N 3.36Å; G262-L266 PolarHBondContact O-N 3.43Å; G262-L266 VanDerWaalsContact O-N 3.08Å; G262-L544 CarbonylContact C-O 3.46Å; G262-L544 VanDerWaalsContact C-O 3.27Å; G262-L544 WeakPolarHBondContact CA-O 3.49Å; G262-Y545 VanDerWaalsContact CA-CD1 3.46Å
263G93.3Very high93.5Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-57.8-36174.400000113.6T258 L259 G265 L266 V267T258-G263 PolarHBondContact O-N 3.24Å; L259-G263 VanDerWaalsContact O-CA 3.27Å; L259-G263 WeakPolarHBondContact O-CA 3.24Å; L259-G263 PolarHBondContact O-N 3.03Å; G263-G265 VanDerWaalsContact C-N 3.33Å; G263-G265 PolarHBondContact O-N 3.15Å; G263-L266 PolarHBondContact O-N 3.22Å; G263-V267 WeakPolarHBondContact O-CB 3.32Å; G263-V267 WeakPolarHBondContact O-CG2 3.4Å; G263-V267 PolarHBondContact O-N 3.06Å
264T95.6Very high94Very high17 Ų1717.3 Ų17.310%0.1049%0.085CC..Hα-helixtrans-57.5-46.3171.9-63.70000111.2G105 I108 A109 I260 I261 G262 V267 L268G105-T264 WeakPolarHBondContact CA-OG1 3.3Å; I108-T264 HydrophobicContact CB-CG2 3.98Å; I108-T264 HydrophobicContact CG2-CG2 3.65Å; A109-T264 HydrophobicContact CB-CG2 4.15Å; I260-T264 WeakPolarHBondContact O-CB 3.48Å; I260-T264 PolarHBondContact O-N 3.3Å; I260-T264 PolarHBondContact O-OG1 3.45Å; I261-T264 WeakPolarHBondContact O-CB 3.4Å; I261-T264 PolarHBondContact O-N 3.4Å; G262-T264 VanDerWaalsContact C-N 3.27Å; G262-T264 PolarHBondContact O-N 3.02Å; T264-V267 PolarHBondContact O-N 3.11Å; T264-L268 WeakPolarHBondContact O-CB 3.44Å; T264-L268 PolarHBondContact O-N 3.2Å
265G93.9Very high94.3Very high9 Ų916.7 Ų16.79%0.0938%0.082CC..Hα-helixtrans-62.7-43.7178.300000112.9I261 G262 G263 S269I261-G265 PolarHBondContact O-N 3.04Å; G262-G265 PolarHBondContact O-N 3.36Å; G263-G265 VanDerWaalsContact C-N 3.33Å; G263-G265 PolarHBondContact O-N 3.15Å; G265-S269 PolarHBondContact O-N 3.31Å
266L91.7Very high94.4Very high13 Ų1317.2 Ų17.27%0.0689%0.085CC..Hα-helixtrans-61.8-47.7175.7176.567000112G262 G263 S269 I270 F437 L544G262-L266 PolarHBondContact O-N 3.43Å; G262-L266 VanDerWaalsContact O-N 3.08Å; G263-L266 PolarHBondContact O-N 3.22Å; L266-S269 PolarHBondContact O-N 2.9Å; L266-S269 PolarHBondContact O-OG 3.46Å; L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.48Å; L266-I270 WeakPolarHBondContact O-CG1 3.43Å; L266-I270 PolarHBondContact O-N 3.39Å; L266-F437 HydrophobicContact CD1-CB 3.57Å; L266-L544 HydrophobicContact CD2-CD2 3.64Å
267V93.9Very high94.4Very high1 Ų115.7 Ų15.71%0.0068%0.077CC..Hα-helixtrans-68-42.9-179175.90000109.8L102 Y106 A109 G263 T264 S269 I270 F271L102-V267 HydrophobicContact CD1-CG2 4.42Å; Y106-V267 HydrophobicContact CD1-CG1 4.07Å; Y106-V267 HydrophobicContact CD1-CG2 3.75Å; Y106-V267 HydrophobicContact CE1-CG1 4.46Å; Y106-V267 HydrophobicContact CE1-CG2 3.61Å; A109-V267 HydrophobicContact CB-CB 3.71Å; A109-V267 HydrophobicContact CB-CG1 3.5Å; G263-V267 WeakPolarHBondContact O-CB 3.32Å; G263-V267 WeakPolarHBondContact O-CG2 3.4Å; G263-V267 PolarHBondContact O-N 3.06Å; T264-V267 PolarHBondContact O-N 3.11Å; V267-S269 VanDerWaalsContact C-N 3.3Å; V267-S269 PolarHBondContact O-N 2.93Å; V267-I270 PolarHBondContact O-N 2.86Å; V267-I270 VanDerWaalsContact O-N 3.11Å; V267-F271 HydrophobicContact CG1-CD2 3.59Å; V267-F271 HydrophobicContact CG1-CE2 3.97Å; V267-F271 VanDerWaalsContact O-CD2 3.32Å; V267-F271 WeakPolarHBondContact O-CD2 3.43Å; V267-F271 PolarHBondContact O-N 2.87Å
268L95.4Very high94.4Very high14 Ų1410.4 Ų10.47%0.0736%0.057CC..Hα-helixtrans-64.9-33.6179.3-17162.4000112.3A109 L112 A113 Y117 T264 I270 G272 L445A109-L268 HydrophobicContact CB-CB 4.16Å; L112-L268 HydrophobicContact CB-CD1 3.89Å; L112-L268 HydrophobicContact CB-CD2 4.5Å; L112-L268 HydrophobicContact CD1-CD2 4.09Å; A113-L268 HydrophobicContact CB-CD1 4.25Å; Y117-L268 HydrophobicContact CD2-CD1 4.2Å; Y117-L268 HydrophobicContact CE2-CD1 3.94Å; Y117-L268 HydrophobicContact CE2-CD2 4.12Å; Y117-L268 HydrophobicContact CE2-CG 4.33Å; T264-L268 WeakPolarHBondContact O-CB 3.44Å; T264-L268 PolarHBondContact O-N 3.2Å; L268-I270 PolarHBondContact O-N 2.83Å; L268-G272 VanDerWaalsContact O-CA 3.23Å; L268-G272 WeakPolarHBondContact O-CA 3.48Å; L268-G272 PolarHBondContact O-N 2.92Å; L268-L445 HydrophobicContact CB-CD2 4.22Å; L268-L445 HydrophobicContact CD2-CD1 4.16Å; L268-L445 HydrophobicContact CD2-CD2 4.28Å; L268-L445 HydrophobicContact CG-CD1 3.87Å; L268-L445 HydrophobicContact CG-CD2 4.2Å
269S94.5Very high94.5Very high2 Ų210.4 Ų10.41%0.0146%0.058CC..Hα-helixtrans-65.7-30.8175.378.20000112.4G265 L266 V267 N274 F437G265-S269 PolarHBondContact O-N 3.31Å; L266-S269 PolarHBondContact O-N 2.9Å; L266-S269 PolarHBondContact O-OG 3.46Å; V267-S269 VanDerWaalsContact C-N 3.3Å; V267-S269 PolarHBondContact O-N 2.93Å; S269-N274 PolarHBondContact O-N 2.98Å; S269-N274 VanDerWaalsContact O-N 3.15Å; S269-F437 PolarHBondContact OG-O 3.26Å
270I92.6Very high94.6Very high13 Ų1310.7 Ų10.77%0.0676%0.058CC..Hα-helixtrans-78.7-53.6176.8-63.1166.1000110.9F79 L266 V267 L268 N274 Q277 F437F79-I270 HydrophobicContact CD2-CD1 4.18Å; F79-I270 HydrophobicContact CD2-CG2 4.33Å; F79-I270 HydrophobicContact CE2-CD1 3.89Å; L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.48Å; L266-I270 WeakPolarHBondContact O-CG1 3.43Å; L266-I270 PolarHBondContact O-N 3.39Å; V267-I270 PolarHBondContact O-N 2.86Å; V267-I270 VanDerWaalsContact O-N 3.11Å; L268-I270 PolarHBondContact O-N 2.83Å; I270-N274 WeakPolarHBondContact O-CB 3.39Å; I270-N274 PolarHBondContact O-N 3.5Å; I270-Q277 HydrophobicContact CG2-CG 4.03Å; I270-Q277 WeakPolarHBondContact O-CB 3.26Å; I270-Q277 WeakPolarHBondContact O-CG 3.5Å; I270-F437 HydrophobicContact CD1-CB 4.34Å; I270-F437 HydrophobicContact CD1-CD1 4.11Å; I270-F437 HydrophobicContact CD1-CD2 4.35Å; I270-F437 HydrophobicContact CD1-CE1 4.5Å; I270-F437 HydrophobicContact CD1-CG 4.03Å; I270-F437 HydrophobicContact CG1-CB 4.34Å; I270-F437 HydrophobicContact CG1-CD1 3.53Å; I270-F437 HydrophobicContact CG1-CE1 3.9Å; I270-F437 HydrophobicContact CG1-CG 3.95Å
271F94.4Very high94.5Very high2 Ų28.8 Ų8.81%0.0095%0.049CC..Hα-helixtrans-88-22.6-170.8-70.5-91.3000113.9V75 F79 F110 A113 V267 Q277 Y281V75-F271 HydrophobicContact CG1-CD1 4.11Å; V75-F271 HydrophobicContact CG1-CE1 3.64Å; F79-F271 HydrophobicContact CB-CE2 4.3Å; F79-F271 HydrophobicContact CB-CZ 3.68Å; F79-F271 HydrophobicContact CD1-CZ 4.33Å; F79-F271 AromaticContact CD2-CE2 3.51Å; F79-F271 HydrophobicContact CD2-CE2 3.51Å; F79-F271 AromaticContact CD2-CZ 3.8Å; F79-F271 HydrophobicContact CD2-CZ 3.8Å; F79-F271 AromaticContact CE2-CE2 3.89Å; F79-F271 HydrophobicContact CE2-CE2 3.89Å; F79-F271 AromaticContact CG-CE2 3.87Å; F79-F271 HydrophobicContact CG-CE2 3.87Å; F79-F271 AromaticContact CG-CZ 3.67Å; F79-F271 HydrophobicContact CG-CZ 3.67Å; F110-F271 HydrophobicContact CD1-CD1 4.13Å; F110-F271 HydrophobicContact CD1-CG 4.29Å; F110-F271 AromaticContact CE1-CD1 3.39Å; F110-F271 HydrophobicContact CE1-CD1 3.39Å; F110-F271 HydrophobicContact CE1-CD2 4.04Å; F110-F271 AromaticContact CE1-CE1 3.39Å; F110-F271 HydrophobicContact CE1-CE1 3.39Å; F110-F271 HydrophobicContact CE1-CE2 4.01Å; F110-F271 AromaticContact CE1-CG 3.75Å; F110-F271 HydrophobicContact CE1-CG 3.75Å; F110-F271 AromaticContact CE1-CZ 3.7Å; F110-F271 HydrophobicContact CE1-CZ 3.7Å; F110-F271 HydrophobicContact CZ-CD1 4.22Å; F110-F271 HydrophobicContact CZ-CD2 4.3Å; F110-F271 AromaticContact CZ-CE1 3.87Å; F110-F271 HydrophobicContact CZ-CE1 3.87Å; F110-F271 AromaticContact CZ-CE2 3.91Å; F110-F271 HydrophobicContact CZ-CE2 3.91Å; F110-F271 HydrophobicContact CZ-CG 4.45Å; F110-F271 AromaticContact CZ-CZ 3.68Å; F110-F271 HydrophobicContact CZ-CZ 3.68Å; A113-F271 HydrophobicContact CB-CB 4.24Å; V267-F271 HydrophobicContact CG1-CD2 3.59Å; V267-F271 HydrophobicContact CG1-CE2 3.97Å; V267-F271 VanDerWaalsContact O-CD2 3.32Å; V267-F271 WeakPolarHBondContact O-CD2 3.43Å; V267-F271 PolarHBondContact O-N 2.87Å; F271-Q277 HydrophobicContact CD1-CG 4.43Å; F271-Y281 VanDerWaalsContact CD1-OH 3.27Å; F271-Y281 WeakPolarHBondContact CD1-OH 3.36Å; F271-Y281 WeakPolarHBondContact O-CE2 3.46Å
272G94.7Very high94.5Very high1 Ų14.5 Ų4.51%0.013%0.027CC..THydrogen-bonded Turntrans-101.7-20.6-178.100000114.8Y117 F121 L268Y117-G272 WeakPolarHBondContact CD1-O 3.32Å; F121-G272 WeakPolarHBondContact CE2-O 3.12Å; L268-G272 VanDerWaalsContact O-CA 3.23Å; L268-G272 WeakPolarHBondContact O-CA 3.48Å; L268-G272 PolarHBondContact O-N 2.92Å
273A94.7Very high94.5Very high0 Ų04.5 Ų4.50%03%0.027CC..THydrogen-bonded Turntrans-135-17.4-170.800000115.2I444 L445 F448A273-I444 HydrophobicContact CB-CG2 4.3Å; A273-L445 HydrophobicContact CB-CB 4.02Å; A273-L445 HydrophobicContact CB-CD1 3.99Å; A273-F448 HydrophobicContact CB-CD2 3.98Å
274N94.1Very high94.6Very high4 Ų44.5 Ų4.52%0.0213%0.027CC..  trans-82.6130.3-178.3-167.2-68000111.6S269 I270 T276 Q277 I278S269-N274 PolarHBondContact O-N 2.98Å; S269-N274 VanDerWaalsContact O-N 3.15Å; I270-N274 WeakPolarHBondContact O-CB 3.39Å; I270-N274 PolarHBondContact O-N 3.5Å; N274-T276 PolarHBondContact O-N 3.36Å; N274-T276 WeakPolarHBondContact OD1-CB 3.43Å; N274-T276 WeakPolarHBondContact OD1-CG2 3.37Å; N274-T276 PolarHBondContact OD1-N 2.87Å; N274-T276 PolarHBondContact OD1-OG1 2.84Å; N274-Q277 PolarHBondContact O-N 2.67Å; N274-Q277 VanDerWaalsContact O-N 3.11Å; N274-I278 WeakPolarHBondContact O-CG1 3.48Å; N274-I278 PolarHBondContact O-N 3.41Å
275Q95.7Very high94.4Very high0 Ų010.1 Ų10.10%05%0.046CC..Hα-helixtrans-55.8-36.9179.9178.166.418.700113.2N127 F149 Q277 I278 Q279 N376 V377N127-Q275 PolarHBondContact O-NE2 3.28Å; F149-Q275 HydrophobicContact CD2-CB 4.38Å; F149-Q275 HydrophobicContact CE1-CB 4.11Å; F149-Q275 HydrophobicContact CE2-CB 3.69Å; F149-Q275 HydrophobicContact CZ-CB 3.53Å; F149-Q275 HydrophobicContact CZ-CG 4.29Å; Q275-Q277 PolarHBondContact O-N 3.46Å; Q275-I278 PolarHBondContact O-N 2.79Å; Q275-Q279 WeakPolarHBondContact O-CB 3.48Å; Q275-Q279 PolarHBondContact O-N 3.37Å; Q275-N376 PolarHBondContact NE2-ND2 3.27Å; Q275-N376 VanDerWaalsContact NE2-ND2 3.1Å; Q275-V377 HydrophobicContact CB-CG2 4.16Å; Q275-V377 HydrophobicContact CG-CG2 3.63Å
276T94.1Very high94.4Very high10 Ų1012.3 Ų12.36%0.0616%0.056CC..Hα-helixtrans-57.8-34.7-179.560.20000112.8F149 M153 N274 R280 S373F149-T276 HydrophobicContact CZ-CG2 4.48Å; M153-T276 HydrophobicContact CE-CG2 3.55Å; M153-T276 HydrophobicContact SD-CG2 4.27Å; N274-T276 PolarHBondContact O-N 3.36Å; N274-T276 WeakPolarHBondContact OD1-CB 3.43Å; N274-T276 WeakPolarHBondContact OD1-CG2 3.37Å; N274-T276 PolarHBondContact OD1-N 2.87Å; N274-T276 PolarHBondContact OD1-OG1 2.84Å; T276-R280 PolarHBondContact O-NH1 3.26Å; T276-S373 VanDerWaalsContact CA-OG 3.25Å; T276-S373 WeakPolarHBondContact CA-OG 3.4Å
277Q95Very high94.6Very high1 Ų112.9 Ų12.91%0.0056%0.059CC..Hα-helixtrans-86.9-47.5178-65.8-61.4-6.100111.2V75 I270 F271 N274 Q275 Q279 R280 Y281V75-Q277 PolarHBondContact O-NE2 3.11Å; I270-Q277 HydrophobicContact CG2-CG 4.03Å; I270-Q277 WeakPolarHBondContact O-CB 3.26Å; I270-Q277 WeakPolarHBondContact O-CG 3.5Å; F271-Q277 HydrophobicContact CD1-CG 4.43Å; N274-Q277 PolarHBondContact O-N 2.67Å; N274-Q277 VanDerWaalsContact O-N 3.11Å; Q275-Q277 PolarHBondContact O-N 3.46Å; Q277-Q279 PolarHBondContact O-N 3.11Å; Q277-R280 WeakPolarHBondContact O-CB 3.23Å; Q277-R280 PolarHBondContact O-N 3.1Å; Q277-Y281 HydrophobicContact CB-CE2 3.95Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.25Å; Q277-Y281 WeakPolarHBondContact O-CE2 3.28Å; Q277-Y281 PolarHBondContact O-N 3.04Å
278I95.9Very high94.7Very high1 Ų117.5 Ų17.51%0.0058%0.079CC..Hα-helixtrans-56.2-41.5-179.7-64.9169.3000111.2F121 A129 N274 Q275 R280 Y281 L282F121-I278 HydrophobicContact CB-CG2 4.29Å; F121-I278 HydrophobicContact CD2-CD1 3.98Å; F121-I278 HydrophobicContact CD2-CG1 4.24Å; F121-I278 HydrophobicContact CD2-CG2 4.1Å; F121-I278 HydrophobicContact CE2-CD1 3.59Å; F121-I278 HydrophobicContact CE2-CG1 4.24Å; F121-I278 HydrophobicContact CG-CG2 4.26Å; F121-I278 HydrophobicContact CZ-CD1 4.07Å; A129-I278 HydrophobicContact CB-CB 4.26Å; A129-I278 HydrophobicContact CB-CD1 3.63Å; A129-I278 HydrophobicContact CB-CG2 3.88Å; N274-I278 WeakPolarHBondContact O-CG1 3.48Å; N274-I278 PolarHBondContact O-N 3.41Å; Q275-I278 PolarHBondContact O-N 2.79Å; I278-R280 VanDerWaalsContact C-N 3.29Å; I278-R280 PolarHBondContact O-N 2.89Å; I278-Y281 WeakPolarHBondContact O-CB 3.3Å; I278-Y281 PolarHBondContact O-N 3.38Å; I278-Y281 VanDerWaalsContact O-N 3.12Å; I278-L282 HydrophobicContact CG2-CD1 3.71Å; I278-L282 HydrophobicContact CG2-CG 4.01Å; I278-L282 VanDerWaalsContact O-CG 3.32Å; I278-L282 WeakPolarHBondContact O-CG 3.36Å; I278-L282 PolarHBondContact O-N 2.9Å
279Q96.1Very high94.8Very high1 Ų117.4 Ų17.41%0.0058%0.078CC..Hα-helixtrans-60-36.2-180-164.7176.7-17.100113.1F60 L61 I196 Q275 Q277 L282 A283 N372 S373F60-Q279 PolarHBondContact O-NE2 3.37Å; L61-Q279 HydrophobicContact CD2-CG 4.07Å; I196-Q279 HydrophobicContact CD1-CB 4.43Å; I196-Q279 HydrophobicContact CD1-CG 3.81Å; Q275-Q279 WeakPolarHBondContact O-CB 3.48Å; Q275-Q279 PolarHBondContact O-N 3.37Å; Q277-Q279 PolarHBondContact O-N 3.11Å; Q279-L282 PolarHBondContact O-N 2.71Å; Q279-A283 WeakPolarHBondContact O-CB 3.37Å; Q279-A283 PolarHBondContact O-N 3.34Å; Q279-N372 PolarHBondContact NE2-OD1 2.81Å; Q279-S373 PolarHBondContact OE1-OG 3.37Å
280R94.9Very high94.9Very high5 Ų517.3 Ų17.32%0.0198%0.078CC..Hα-helixtrans-66.5-40.8176-70174.2162.281.35.9111.7I71 S74 V75 S78 D203 T276 Q277 I278 L282 A283 C284 S369I71-R280 HydrophobicContact CD1-CB 4.35Å; I71-R280 WeakPolarHBondContact CD1-O 3.32Å; I71-R280 HydrophobicContact CG2-CB 4.5Å; S74-R280 PolarHBondContact OG-NE 3.28Å; S74-R280 PolarHBondContact OG-NH2 2.93Å; S74-R280 VanDerWaalsContact OG-NH2 3.11Å; V75-R280 HydrophobicContact CG2-CB 4.07Å; S78-R280 PolarHBondContact OG-NH1 2.88Å; S78-R280 PolarHBondContact OG-NH2 3.02Å; D203-R280 IonicContact OD2-CZ 3.54Å; D203-R280 IonicContact OD2-NH2 3.91Å; D203-R280 PolarHBondContact OD2-NH2 3.39Å; T276-R280 PolarHBondContact O-NH1 3.26Å; Q277-R280 WeakPolarHBondContact O-CB 3.23Å; Q277-R280 PolarHBondContact O-N 3.1Å; I278-R280 VanDerWaalsContact C-N 3.29Å; I278-R280 PolarHBondContact O-N 2.89Å; R280-L282 VanDerWaalsContact C-N 3.34Å; R280-A283 WeakPolarHBondContact O-CB 3.27Å; R280-A283 PolarHBondContact O-N 3.36Å; R280-C284 PolarHBondContact O-N 3.16Å; R280-S369 PolarHBondContact NH1-OG 2.78Å; R280-S369 PolarHBondContact NH2-OG 3.46Å
281Y95.1Very high95.1Very high1 Ų118.3 Ų18.30%0.0048%0.081CC..Hα-helixtrans-68.3-38.4177.8-47.5-37.1000111.4V75 M118 Y122 F271 Q277 I278 A283 C284 I294V75-Y281 HydrophobicContact CB-CE1 4.44Å; V75-Y281 HydrophobicContact CG1-CE1 4.06Å; V75-Y281 HydrophobicContact CG2-CD1 4.18Å; V75-Y281 HydrophobicContact CG2-CE1 3.47Å; V75-Y281 VanDerWaalsContact CG2-CE1 3.47Å; M118-Y281 HydrophobicContact CE-CD2 4.48Å; M118-Y281 WeakPolarHBondContact SD-CB 3.15Å; M118-Y281 HydrophobicContact SD-CD2 3.3Å; M118-Y281 WeakPolarHBondContact SD-CD2 3.4Å; M118-Y281 HydrophobicContact SD-CE2 4.42Å; M118-Y281 HydrophobicContact SD-CG 3.55Å; M118-Y281 VanDerWaalsContact SD-CG 3.55Å; Y122-Y281 WeakPolarHBondContact CE2-O 3.18Å; F271-Y281 VanDerWaalsContact CD1-OH 3.27Å; F271-Y281 WeakPolarHBondContact CD1-OH 3.36Å; F271-Y281 WeakPolarHBondContact O-CE2 3.46Å; Q277-Y281 HydrophobicContact CB-CE2 3.95Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.25Å; Q277-Y281 WeakPolarHBondContact O-CE2 3.28Å; Q277-Y281 PolarHBondContact O-N 3.04Å; I278-Y281 WeakPolarHBondContact O-CB 3.3Å; I278-Y281 PolarHBondContact O-N 3.38Å; I278-Y281 VanDerWaalsContact O-N 3.12Å; Y281-A283 PolarHBondContact O-N 2.79Å; Y281-C284 VanDerWaalsContact O-CB 3.28Å; Y281-C284 WeakPolarHBondContact O-CB 3.47Å; Y281-C284 PolarHBondContact O-N 2.72Å; Y281-C284 VanDerWaalsContact O-N 3.14Å; Y281-I294 HydrophobicContact CD1-CD1 4.2Å; Y281-I294 HydrophobicContact CD1-CG1 3.85Å; Y281-I294 HydrophobicContact CD2-CD1 3.9Å; Y281-I294 HydrophobicContact CD2-CG1 4.28Å; Y281-I294 HydrophobicContact CE1-CD1 4.17Å; Y281-I294 HydrophobicContact CE1-CG1 3.48Å; Y281-I294 VanDerWaalsContact CE1-CG1 3.48Å; Y281-I294 HydrophobicContact CE2-CD1 3.88Å; Y281-I294 HydrophobicContact CE2-CG1 3.95Å; Y281-I294 HydrophobicContact CG-CD1 4.09Å; Y281-I294 HydrophobicContact CG-CG1 4.26Å
282L95.2Very high95.3Very high0 Ų024.5 Ų24.50%010%0.104CC..Hα-helixtrans-68.3-20.8175.4-67.3178.1000113.1L61 R64 M118 F121 Y122 L126 I278 Q279 R280 C284L61-L282 HydrophobicContact CD2-CB 3.96Å; R64-L282 WeakPolarHBondContact CG-O 3.31Å; R64-L282 PolarHBondContact NH1-O 2.92Å; M118-L282 HydrophobicContact CE-CD2 3.81Å; M118-L282 HydrophobicContact CE-CG 4.26Å; F121-L282 HydrophobicContact CB-CD2 4.27Å; Y122-L282 HydrophobicContact CD2-CD2 4.36Å; L126-L282 HydrophobicContact CB-CD1 4.36Å; I278-L282 HydrophobicContact CG2-CD1 3.71Å; I278-L282 HydrophobicContact CG2-CG 4.01Å; I278-L282 VanDerWaalsContact O-CG 3.32Å; I278-L282 WeakPolarHBondContact O-CG 3.36Å; I278-L282 PolarHBondContact O-N 2.9Å; Q279-L282 PolarHBondContact O-N 2.71Å; R280-L282 VanDerWaalsContact C-N 3.34Å; L282-C284 VanDerWaalsContact C-N 3.34Å
283A94.9Very high95.4Very high0 Ų024.4 Ų24.40%010%0.104CC..THydrogen-bonded Turntrans-81.2-8.5172.900000113.9L61 R64 N65 L66 I196 Q279 R280 Y281L61-A283 WeakPolarHBondContact O-CA 3.36Å; L61-A283 WeakPolarHBondContact O-CB 3.49Å; R64-A283 CarbonylContact C-O 3.41Å; R64-A283 VanDerWaalsContact CA-O 3.28Å; R64-A283 WeakPolarHBondContact CA-O 3.28Å; N65-A283 PolarHBondContact N-O 3.39Å; L66-A283 WeakPolarHBondContact CB-O 3.47Å; L66-A283 HydrophobicContact CD1-CB 3.79Å; L66-A283 HydrophobicContact CG-CB 4.26Å; L66-A283 PolarHBondContact N-O 2.98Å; I196-A283 HydrophobicContact CD1-CB 4.3Å; Q279-A283 WeakPolarHBondContact O-CB 3.37Å; Q279-A283 PolarHBondContact O-N 3.34Å; R280-A283 WeakPolarHBondContact O-CB 3.27Å; R280-A283 PolarHBondContact O-N 3.36Å; Y281-A283 PolarHBondContact O-N 2.79Å
284C94.8Very high95.5Very high0 Ų024.4 Ų24.40%010%0.104CC..BIsolated β-bridgetrans-70.5149.6172.9-65.10000111.7R64 Y122 R280 Y281 L282 D286 T289 A290R64-C284 CarbonylContact O-C 3.46Å; Y122-C284 HydrophobicContact CE2-CB 4.34Å; Y122-C284 PolarHBondContact OH-O 3.3Å; R280-C284 PolarHBondContact O-N 3.16Å; Y281-C284 VanDerWaalsContact O-CB 3.28Å; Y281-C284 WeakPolarHBondContact O-CB 3.47Å; Y281-C284 PolarHBondContact O-N 2.72Å; Y281-C284 VanDerWaalsContact O-N 3.14Å; L282-C284 VanDerWaalsContact C-N 3.34Å; C284-D286 VanDerWaalsContact C-N 3.32Å; C284-D286 PolarHBondContact O-N 2.86Å; C284-T289 HydrophobicContact CB-CG2 4.06Å; C284-A290 HydrophobicContact CB-CB 4.09Å
285R91.1Very high95.7Very high134 Ų13426.1 Ų26.151%0.50611%0.113SC..SBendtrans-67.1-25.3177.174-173.5149.8-171.1-8.9116.2R64 Y122R64-R285 WeakPolarHBondContact O-CA 3.45Å; R64-R285 PolarHBondContact O-N 2.99Å; Y122-R285 PolarHBondContact OH-O 3.13Å
286D94.5Very high95.8Very high55 Ų5529.5 Ų29.529%0.29413%0.13SC..SBendtrans-153.2158.1-18067.382000110.9Y122 C284 K288 T289 A290Y122-D286 VanDerWaalsContact CZ-C 3.44Å; Y122-D286 WeakPolarHBondContact OH-CA 3.35Å; Y122-D286 PolarHBondContact OH-N 2.92Å; C284-D286 VanDerWaalsContact C-N 3.32Å; C284-D286 PolarHBondContact O-N 2.86Å; D286-K288 VanDerWaalsContact C-N 3.26Å; D286-K288 PolarHBondContact O-N 3.5Å; D286-K288 VanDerWaalsContact OD1-CA 3.29Å; D286-K288 WeakPolarHBondContact OD1-CA 3.44Å; D286-K288 WeakPolarHBondContact OD1-CB 3.28Å; D286-K288 PolarHBondContact OD1-N 3.46Å; D286-T289 WeakPolarHBondContact O-CB 3.42Å; D286-T289 PolarHBondContact O-N 2.88Å; D286-T289 PolarHBondContact OD1-N 2.7Å; D286-T289 PolarHBondContact OD1-OG1 3.35Å; D286-T289 PolarHBondContact OD2-OG1 3.36Å; D286-A290 PolarHBondContact O-N 3.14Å; D286-A290 VanDerWaalsContact O-N 3.14Å
287L95.6Very high95.8Very high25 Ų2529 Ų2913%0.13113%0.127CC..Hα-helixtrans-63-31.8-179.7176.160.3000112.3M118 P119 Y122 A290 R291 Y610M118-L287 HydrophobicContact CG-CD1 3.97Å; P119-L287 HydrophobicContact CB-CD2 4.25Å; Y122-L287 HydrophobicContact CD1-CB 3.76Å; Y122-L287 HydrophobicContact CD1-CD1 4.44Å; Y122-L287 HydrophobicContact CE1-CB 4.07Å; Y122-L287 HydrophobicContact CG-CB 4.13Å; Y122-L287 HydrophobicContact CG-CD1 4Å; L287-A290 PolarHBondContact O-N 3.02Å; L287-R291 HydrophobicContact CD1-CG 4.05Å; L287-R291 HydrophobicContact CG-CG 4.31Å; L287-R291 WeakPolarHBondContact O-CB 3.36Å; L287-R291 WeakPolarHBondContact O-CG 3.1Å; L287-R291 PolarHBondContact O-N 3.18Å; L287-Y610 WeakPolarHBondContact CD2-OH 3.48Å
288K96.1Very high95.9Very high99 Ų9930.7 Ų30.743%0.4314%0.136SC..Hα-helixtrans-66.1-41178.4177.6176.3-174.9152.80110.4D286 R292 S617D286-K288 VanDerWaalsContact C-N 3.26Å; D286-K288 PolarHBondContact O-N 3.5Å; D286-K288 VanDerWaalsContact OD1-CA 3.29Å; D286-K288 WeakPolarHBondContact OD1-CA 3.44Å; D286-K288 WeakPolarHBondContact OD1-CB 3.28Å; D286-K288 PolarHBondContact OD1-N 3.46Å; K288-R292 WeakPolarHBondContact O-CB 3.44Å; K288-R292 VanDerWaalsContact O-CG 3.23Å; K288-R292 WeakPolarHBondContact O-CG 3.33Å; K288-R292 PolarHBondContact O-N 3.25Å; K288-S617 PolarHBondContact NZ-OG 2.92Å
289T96.2Very high96Very high11 Ų1134.6 Ų34.67%0.06716%0.161CC..Hα-helixtrans-61.5-46.2173.1-64.10000110.5L68 C284 D286 R292 A293L68-T289 HydrophobicContact CB-CG2 4.08Å; L68-T289 HydrophobicContact CD1-CG2 4.24Å; L68-T289 WeakPolarHBondContact CD1-O 3.21Å; C284-T289 HydrophobicContact CB-CG2 4.06Å; D286-T289 WeakPolarHBondContact O-CB 3.42Å; D286-T289 PolarHBondContact O-N 2.88Å; D286-T289 PolarHBondContact OD1-N 2.7Å; D286-T289 PolarHBondContact OD1-OG1 3.35Å; D286-T289 PolarHBondContact OD2-OG1 3.36Å; T289-R292 PolarHBondContact O-N 3.05Å; T289-A293 WeakPolarHBondContact O-CB 3.45Å; T289-A293 PolarHBondContact O-N 2.92Å
290A96.8Very high95.9Very high0 Ų037.9 Ų37.90%018%0.178CC..Hα-helixtrans-60.2-49.2176.700000112.6M118 Y122 C284 D286 L287 R292 A293 I294M118-A290 HydrophobicContact CG-CB 4.22Å; Y122-A290 HydrophobicContact CD2-CB 4.23Å; Y122-A290 HydrophobicContact CE2-CB 4.36Å; C284-A290 HydrophobicContact CB-CB 4.09Å; D286-A290 PolarHBondContact O-N 3.14Å; D286-A290 VanDerWaalsContact O-N 3.14Å; L287-A290 PolarHBondContact O-N 3.02Å; A290-R292 PolarHBondContact O-N 3.38Å; A290-A293 WeakPolarHBondContact O-CB 3.15Å; A290-A293 PolarHBondContact O-N 3.39Å; A290-A293 VanDerWaalsContact O-N 3.15Å; A290-I294 WeakPolarHBondContact O-CG1 3.28Å; A290-I294 PolarHBondContact O-N 2.84Å; A290-I294 VanDerWaalsContact O-N 3.1Å
291R97.6Very high95.9Very high34 Ų3437.7 Ų37.713%0.12818%0.178CC..Hα-helixtrans-60.6-46.8177.4-76.6-177.2172.5161.2-6.3112.3A114 L287 A293 I294 L295A114-R291 HydrophobicContact CB-CG 4.42Å; A114-R291 WeakPolarHBondContact O-CG 3.45Å; A114-R291 PolarHBondContact O-NE 3.15Å; L287-R291 HydrophobicContact CD1-CG 4.05Å; L287-R291 HydrophobicContact CG-CG 4.31Å; L287-R291 WeakPolarHBondContact O-CB 3.36Å; L287-R291 WeakPolarHBondContact O-CG 3.1Å; L287-R291 PolarHBondContact O-N 3.18Å; R291-A293 PolarHBondContact O-N 3.32Å; R291-I294 PolarHBondContact O-N 3.48Å; R291-L295 WeakPolarHBondContact O-CG 3.44Å; R291-L295 PolarHBondContact O-N 3.34Å
292R97.8Very high95.9Very high132 Ų13238.5 Ų38.550%0.49818%0.184SC..Hα-helixtrans-60.1-36.9176.2-74.2178.872.1-175.64.9111.2L68 K288 T289 A290 L295 L296L68-R292 HydrophobicContact CD1-CB 3.82Å; L68-R292 HydrophobicContact CD2-CB 4.4Å; K288-R292 WeakPolarHBondContact O-CB 3.44Å; K288-R292 VanDerWaalsContact O-CG 3.23Å; K288-R292 WeakPolarHBondContact O-CG 3.33Å; K288-R292 PolarHBondContact O-N 3.25Å; T289-R292 PolarHBondContact O-N 3.05Å; A290-R292 PolarHBondContact O-N 3.38Å; R292-L295 PolarHBondContact O-N 3.16Å; R292-L296 VanDerWaalsContact O-CB 3.29Å; R292-L296 WeakPolarHBondContact O-CB 3.09Å; R292-L296 VanDerWaalsContact O-CG 3.23Å; R292-L296 WeakPolarHBondContact O-CG 3.23Å; R292-L296 PolarHBondContact O-N 3.13Å
293A96.7Very high95.9Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-63.8-43.7177.600000112.4L68 I71 V72 T289 A290 R291 N297L68-A293 HydrophobicContact CD1-CB 3.96Å; I71-A293 HydrophobicContact CB-CB 4.44Å; I71-A293 HydrophobicContact CG2-CB 3.65Å; V72-A293 HydrophobicContact CG2-CB 3.9Å; T289-A293 WeakPolarHBondContact O-CB 3.45Å; T289-A293 PolarHBondContact O-N 2.92Å; A290-A293 WeakPolarHBondContact O-CB 3.15Å; A290-A293 PolarHBondContact O-N 3.39Å; A290-A293 VanDerWaalsContact O-N 3.15Å; R291-A293 PolarHBondContact O-N 3.32Å; A293-N297 PolarHBondContact O-ND2 2.87Å
294I97.4Very high95.8Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-64.2-49.1175.8-61.5166.2000110.5F110 A113 A114 M118 Y281 A290 R291 L296 N297F110-I294 HydrophobicContact CB-CG2 4.33Å; F110-I294 HydrophobicContact CD1-CG2 3.83Å; F110-I294 WeakPolarHBondContact CD1-O 3.48Å; F110-I294 WeakPolarHBondContact O-CG2 3.49Å; A113-I294 HydrophobicContact CB-CG2 4.02Å; A114-I294 HydrophobicContact CB-CB 4.05Å; A114-I294 HydrophobicContact CB-CD1 4.34Å; A114-I294 HydrophobicContact CB-CG2 3.87Å; M118-I294 HydrophobicContact CB-CD1 3.91Å; M118-I294 HydrophobicContact CG-CD1 3.84Å; M118-I294 HydrophobicContact SD-CD1 4.08Å; Y281-I294 HydrophobicContact CD1-CD1 4.2Å; Y281-I294 HydrophobicContact CD1-CG1 3.85Å; Y281-I294 HydrophobicContact CD2-CD1 3.9Å; Y281-I294 HydrophobicContact CD2-CG1 4.28Å; Y281-I294 HydrophobicContact CE1-CD1 4.17Å; Y281-I294 HydrophobicContact CE1-CG1 3.48Å; Y281-I294 VanDerWaalsContact CE1-CG1 3.48Å; Y281-I294 HydrophobicContact CE2-CD1 3.88Å; Y281-I294 HydrophobicContact CE2-CG1 3.95Å; Y281-I294 HydrophobicContact CG-CD1 4.09Å; Y281-I294 HydrophobicContact CG-CG1 4.26Å; A290-I294 WeakPolarHBondContact O-CG1 3.28Å; A290-I294 PolarHBondContact O-N 2.84Å; A290-I294 VanDerWaalsContact O-N 3.1Å; R291-I294 PolarHBondContact O-N 3.48Å; I294-L296 PolarHBondContact O-N 3.39Å; I294-N297 WeakPolarHBondContact O-CB 3.48Å; I294-N297 PolarHBondContact O-N 2.94Å; I294-N297 VanDerWaalsContact O-N 3.17Å
295L98.2Very high95.7Very high40 Ų4040.9 Ų40.921%0.20921%0.205CC..Hα-helixtrans-68.7-35.5-175.3-66.7172.3000113.4P111 A114 Y115 R291 R292 N297 I298P111-L295 HydrophobicContact CB-CD2 4.5Å; P111-L295 HydrophobicContact CG-CD2 4.29Å; A114-L295 HydrophobicContact CB-CD1 4.47Å; A114-L295 HydrophobicContact CB-CD2 3.88Å; A114-L295 HydrophobicContact CB-CG 3.9Å; Y115-L295 HydrophobicContact CE2-CD1 3.82Å; Y115-L295 HydrophobicContact CE2-CD2 4.01Å; Y115-L295 HydrophobicContact CE2-CG 4.48Å; Y115-L295 WeakPolarHBondContact OH-CD1 3.41Å; R291-L295 WeakPolarHBondContact O-CG 3.44Å; R291-L295 PolarHBondContact O-N 3.34Å; R292-L295 PolarHBondContact O-N 3.16Å; L295-N297 PolarHBondContact O-N 3.26Å; L295-I298 HydrophobicContact CD2-CD1 4.24Å; L295-I298 WeakPolarHBondContact O-CB 3.2Å; L295-I298 WeakPolarHBondContact O-CG1 3.45Å; L295-I298 PolarHBondContact O-N 2.93Å
296L97.4Very high95.9Very high70 Ų7036.6 Ų36.637%0.36620%0.198SC..Hα-helixtrans-64.9-19.4175.4-76170.8000112.7L68 V72 R292 I294 I298 P299 L300L68-L296 HydrophobicContact CD1-CD1 4.34Å; L68-L296 HydrophobicContact CD2-CD1 4.05Å; L68-L296 HydrophobicContact CG-CD1 4.39Å; V72-L296 HydrophobicContact CG1-CB 4.35Å; V72-L296 HydrophobicContact CG2-CB 4.25Å; V72-L296 HydrophobicContact CG2-CD1 3.93Å; R292-L296 VanDerWaalsContact O-CB 3.29Å; R292-L296 WeakPolarHBondContact O-CB 3.09Å; R292-L296 VanDerWaalsContact O-CG 3.23Å; R292-L296 WeakPolarHBondContact O-CG 3.23Å; R292-L296 PolarHBondContact O-N 3.13Å; I294-L296 PolarHBondContact O-N 3.39Å; L296-I298 PolarHBondContact O-N 3.4Å; L296-P299 VanDerWaalsContact O-CD 3.3Å; L296-P299 WeakPolarHBondContact O-CD 3.28Å; L296-P299 WeakPolarHBondContact O-CG 3.38Å; L296-L300 HydrophobicContact CB-CD1 4.4Å; L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 WeakPolarHBondContact O-CD1 3.48Å; L296-L300 WeakPolarHBondContact O-CG 3.47Å; L296-L300 PolarHBondContact O-N 3.07Å
297N95.1Very high95.9Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-69.8-17.1173.2-85-97.2000112.9V75 M76 F110 A293 I294 L295 T301V75-N297 WeakPolarHBondContact CG1-ND2 3.37Å; M76-N297 VanDerWaalsContact CA-OD1 3.25Å; M76-N297 WeakPolarHBondContact CA-OD1 3.49Å; M76-N297 VanDerWaalsContact CB-OD1 3.3Å; M76-N297 WeakPolarHBondContact CB-OD1 3.35Å; M76-N297 PolarHBondContact N-OD1 3.22Å; F110-N297 HydrophobicContact CD1-CB 4.08Å; F110-N297 HydrophobicContact CE1-CB 3.4Å; F110-N297 HydrophobicContact CE2-CB 4.24Å; F110-N297 HydrophobicContact CZ-CB 3.51Å; A293-N297 PolarHBondContact O-ND2 2.87Å; I294-N297 WeakPolarHBondContact O-CB 3.48Å; I294-N297 PolarHBondContact O-N 2.94Å; I294-N297 VanDerWaalsContact O-N 3.17Å; L295-N297 PolarHBondContact O-N 3.26Å; N297-T301 WeakPolarHBondContact O-CB 3.44Å; N297-T301 PolarHBondContact O-N 3.16Å; N297-T301 PolarHBondContact O-OG1 3.07Å; N297-T301 PolarHBondContact OD1-OG1 3.38Å
298I97.2Very high95.9Very high37 Ų3734.9 Ų34.919%0.1919%0.19CC..Hα-helixtrans-58.2-64.3173.9-61.2166.1000110.8F110 P111 L295 L296 L300 S302F110-I298 HydrophobicContact CB-CD1 3.89Å; F110-I298 HydrophobicContact CB-CG1 3.47Å; F110-I298 VanDerWaalsContact CB-CG1 3.47Å; F110-I298 HydrophobicContact CD2-CB 4.41Å; F110-I298 HydrophobicContact CD2-CG1 3.59Å; F110-I298 HydrophobicContact CG-CG1 3.79Å; P111-I298 HydrophobicContact CG-CD1 4.05Å; L295-I298 HydrophobicContact CD2-CD1 4.24Å; L295-I298 WeakPolarHBondContact O-CB 3.2Å; L295-I298 WeakPolarHBondContact O-CG1 3.45Å; L295-I298 PolarHBondContact O-N 2.93Å; L296-I298 PolarHBondContact O-N 3.4Å; I298-L300 PolarHBondContact O-N 3.47Å; I298-S302 WeakPolarHBondContact O-CB 3.42Å; I298-S302 PolarHBondContact O-N 3.28Å; I298-S302 VanDerWaalsContact O-N 3.15Å; I298-S302 PolarHBondContact O-OG 2.84Å
299P97Very high95.8Very high82 Ų8230.2 Ų30.253%0.53217%0.17SC..Hα-helixtrans-66.8-36.618026.2-35.5000112.4L296 G303L296-P299 VanDerWaalsContact O-CD 3.3Å; L296-P299 WeakPolarHBondContact O-CD 3.28Å; L296-P299 WeakPolarHBondContact O-CG 3.38Å; P299-G303 PolarHBondContact O-N 3.45Å
300L94.8Very high95.9Very high71 Ų7131.9 Ų31.937%0.37218%0.176SC..Hα-helixtrans-69.2-50.3-175-68.1174.4000112.4V72 M76 L296 I298 S302 G303 F304V72-L300 HydrophobicContact CG1-CD1 3.33Å; M76-L300 HydrophobicContact CE-CB 4.23Å; M76-L300 WeakPolarHBondContact CE-O 3.16Å; M76-L300 HydrophobicContact SD-CB 3.73Å; M76-L300 HydrophobicContact SD-CD1 4.43Å; L296-L300 HydrophobicContact CB-CD1 4.4Å; L296-L300 WeakPolarHBondContact O-CB 3.28Å; L296-L300 WeakPolarHBondContact O-CD1 3.48Å; L296-L300 WeakPolarHBondContact O-CG 3.47Å; L296-L300 PolarHBondContact O-N 3.07Å; I298-L300 PolarHBondContact O-N 3.47Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.4Å; L300-G303 PolarHBondContact O-N 3.12Å; L300-F304 WeakPolarHBondContact O-CB 3.34Å; L300-F304 PolarHBondContact O-N 3.38Å
301T93.6Very high95.8Very high1 Ų131.9 Ų31.91%0.00618%0.176CC..Hα-helixtrans-67.9-34.1177.6-52.60000111F79 Y106 N297 L305F79-T301 HydrophobicContact CD1-CG2 3.62Å; F79-T301 HydrophobicContact CE1-CG2 3.56Å; Y106-T301 HydrophobicContact CD2-CG2 4.35Å; Y106-T301 HydrophobicContact CE1-CG2 4.39Å; Y106-T301 HydrophobicContact CE2-CG2 3.67Å; N297-T301 WeakPolarHBondContact O-CB 3.44Å; N297-T301 PolarHBondContact O-N 3.16Å; N297-T301 PolarHBondContact O-OG1 3.07Å; N297-T301 PolarHBondContact OD1-OG1 3.38Å; T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.47Å; T301-L305 PolarHBondContact O-N 3.15Å
302S95.5Very high95.8Very high18 Ų1830.3 Ų30.313%0.12617%0.17CC..Hα-helixtrans-65.5-48.1174.7-580000112.4I298 L300 F304 L305 A306I298-S302 WeakPolarHBondContact O-CB 3.42Å; I298-S302 PolarHBondContact O-N 3.28Å; I298-S302 VanDerWaalsContact O-N 3.15Å; I298-S302 PolarHBondContact O-OG 2.84Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.4Å; S302-F304 VanDerWaalsContact C-N 3.32Å; S302-F304 PolarHBondContact O-N 2.96Å; S302-L305 PolarHBondContact O-N 3Å; S302-A306 PolarHBondContact O-N 3.24Å
303G94.8Very high95.7Very high38 Ų3824 Ų2439%0.39215%0.147SC..Hα-helixtrans-61.6-42.1177.500000111.7P299 L300 A306 V307P299-G303 PolarHBondContact O-N 3.45Å; L300-G303 PolarHBondContact O-N 3.12Å; G303-A306 WeakPolarHBondContact O-CB 3.14Å; G303-A306 PolarHBondContact O-N 3.38Å; G303-V307 WeakPolarHBondContact O-CG2 3.33Å; G303-V307 PolarHBondContact O-N 3.47Å
304F92.8Very high95.8Very high8 Ų824 Ų244%0.03515%0.147CC..Hα-helixtrans-70.3-34.5177.2-170.7-101.7000113.4M76 L80 I85 L210 I211 L214 L300 S302 A306 V307 Q308M76-F304 HydrophobicContact CE-CB 3.49Å; M76-F304 VanDerWaalsContact CE-CB 3.49Å; M76-F304 HydrophobicContact CE-CD2 4.46Å; M76-F304 HydrophobicContact CE-CG 3.93Å; L80-F304 HydrophobicContact CB-CE1 4.27Å; L80-F304 HydrophobicContact CD1-CB 4.36Å; L80-F304 HydrophobicContact CD1-CD1 3.19Å; L80-F304 HydrophobicContact CD1-CE1 3.53Å; L80-F304 HydrophobicContact CD1-CG 3.76Å; L80-F304 HydrophobicContact CD1-CZ 4.37Å; L80-F304 HydrophobicContact CD2-CD1 3.34Å; L80-F304 HydrophobicContact CD2-CE1 3.67Å; L80-F304 HydrophobicContact CD2-CG 4.47Å; L80-F304 HydrophobicContact CG-CD1 3.8Å; L80-F304 HydrophobicContact CG-CE1 3.99Å; I85-F304 HydrophobicContact CD1-CZ 4.39Å; I85-F304 HydrophobicContact CG1-CE1 4.34Å; I85-F304 HydrophobicContact CG1-CZ 4.44Å; L210-F304 HydrophobicContact CD2-CE1 3.9Å; L210-F304 HydrophobicContact CD2-CE2 3.52Å; L210-F304 HydrophobicContact CD2-CZ 3.13Å; L210-F304 HydrophobicContact CG-CZ 4.37Å; I211-F304 HydrophobicContact CB-CE2 4.47Å; I211-F304 HydrophobicContact CD1-CD2 4.38Å; I211-F304 HydrophobicContact CG1-CD2 3.67Å; I211-F304 HydrophobicContact CG1-CE2 3.75Å; L214-F304 HydrophobicContact CD2-CE2 3.75Å; L214-F304 HydrophobicContact CD2-CZ 3.61Å; L300-F304 WeakPolarHBondContact O-CB 3.34Å; L300-F304 PolarHBondContact O-N 3.38Å; S302-F304 VanDerWaalsContact C-N 3.32Å; S302-F304 PolarHBondContact O-N 2.96Å; F304-A306 VanDerWaalsContact C-N 3.33Å; F304-V307 PolarHBondContact O-N 3.39Å; F304-Q308 HydrophobicContact CD1-CG 4.14Å; F304-Q308 HydrophobicContact CE1-CG 3.64Å; F304-Q308 HydrophobicContact CZ-CG 3.92Å; F304-Q308 WeakPolarHBondContact O-CG 3.33Å; F304-Q308 PolarHBondContact O-N 3.06Å; F304-Q308 PolarHBondContact O-NE2 3.29Å
305L94.1Very high95.8Very high4 Ų424 Ų242%0.02115%0.147CC..Hα-helixtrans-60.8-43.4170.217961.2000111.2T88 F99 I100 L102 V103 Y106 T301 S302 V307 Q308 L309T88-L305 HydrophobicContact CG2-CD1 4.04Å; F99-L305 HydrophobicContact CD1-CD1 3.96Å; F99-L305 HydrophobicContact CE1-CD1 4.11Å; I100-L305 HydrophobicContact CD1-CG 4.46Å; L102-L305 HydrophobicContact CB-CD2 4.22Å; V103-L305 HydrophobicContact CG2-CD2 4.17Å; Y106-L305 HydrophobicContact CE2-CD2 4Å; T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.47Å; T301-L305 PolarHBondContact O-N 3.15Å; S302-L305 PolarHBondContact O-N 3Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 2.76Å; L305-Q308 PolarHBondContact O-N 3.37Å; L305-L309 HydrophobicContact CD1-CD1 4.14Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 HydrophobicContact CG-CG 4.41Å; L305-L309 WeakPolarHBondContact O-CG 3.05Å; L305-L309 PolarHBondContact O-N 3.2Å
306A95.5Very high95.7Very high43 Ų4323.3 Ų23.336%0.35514%0.141SC..Hα-helixtrans-60.4-42.3176.600000112I100 S302 G303 F304 L309 F310I100-A306 HydrophobicContact CD1-CB 4.14Å; S302-A306 PolarHBondContact O-N 3.24Å; G303-A306 WeakPolarHBondContact O-CB 3.14Å; G303-A306 PolarHBondContact O-N 3.38Å; F304-A306 VanDerWaalsContact C-N 3.33Å; A306-L309 PolarHBondContact O-N 3.02Å; A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.46Å; A306-F310 PolarHBondContact O-N 2.91Å
307V94.6Very high95.7Very high39 Ų3920.2 Ų20.224%0.23613%0.126CC..Hα-helixtrans-61.1-48.9174.7175.30000111L214 G303 F304 L305 L309 F310 T311L214-V307 HydrophobicContact CD2-CG1 3.89Å; L214-V307 HydrophobicContact CG-CG1 4.03Å; G303-V307 WeakPolarHBondContact O-CG2 3.33Å; G303-V307 PolarHBondContact O-N 3.47Å; F304-V307 PolarHBondContact O-N 3.39Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 2.76Å; V307-L309 PolarHBondContact O-N 3.28Å; V307-F310 CarbonylContact O-C 3.41Å; V307-F310 PolarHBondContact O-N 3.5Å; V307-T311 PolarHBondContact O-N 3.35Å; V307-T311 PolarHBondContact O-OG1 2.89Å
308Q94Very high95.8Very high5 Ų524 Ų242%0.02314%0.141CC..Hα-helixtrans-59.3-45.3179.3-74169.39800113T88 L214 F304 L305 T311 G312T88-Q308 WeakPolarHBondContact OG1-CB 3.49Å; T88-Q308 PolarHBondContact OG1-OE1 3.02Å; T88-Q308 VanDerWaalsContact OG1-OE1 3.05Å; L214-Q308 HydrophobicContact CD2-CB 4.41Å; L214-Q308 HydrophobicContact CD2-CG 3.59Å; F304-Q308 HydrophobicContact CD1-CG 4.14Å; F304-Q308 HydrophobicContact CE1-CG 3.64Å; F304-Q308 HydrophobicContact CZ-CG 3.92Å; F304-Q308 WeakPolarHBondContact O-CG 3.33Å; F304-Q308 PolarHBondContact O-N 3.06Å; F304-Q308 PolarHBondContact O-NE2 3.29Å; L305-Q308 PolarHBondContact O-N 3.37Å; Q308-T311 WeakPolarHBondContact O-CB 3.47Å; Q308-T311 PolarHBondContact O-N 3.46Å; Q308-G312 PolarHBondContact O-N 2.89Å; Q308-G312 VanDerWaalsContact O-N 3.08Å
309L95.4Very high95.7Very high1 Ų123.3 Ų23.31%0.00514%0.136CC..Hα-helixtrans-64.5-43.7177.2-67.4173.5000110.5A92 I97 F99 I100 L305 A306 V307 T311 G312 L313A92-L309 HydrophobicContact CB-CB 4.31Å; A92-L309 HydrophobicContact CB-CD2 3.88Å; A92-L309 VanDerWaalsContact CB-O 3.27Å; A92-L309 WeakPolarHBondContact CB-O 3.44Å; I97-L309 HydrophobicContact CG1-CD1 4.48Å; F99-L309 HydrophobicContact CB-CD2 4.05Å; F99-L309 HydrophobicContact CD1-CD2 4.38Å; I100-L309 HydrophobicContact CB-CD1 3.7Å; I100-L309 HydrophobicContact CD1-CD1 3.84Å; I100-L309 HydrophobicContact CG1-CD1 4.35Å; L305-L309 HydrophobicContact CD1-CD1 4.14Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 HydrophobicContact CG-CG 4.41Å; L305-L309 WeakPolarHBondContact O-CG 3.05Å; L305-L309 PolarHBondContact O-N 3.2Å; A306-L309 PolarHBondContact O-N 3.02Å; V307-L309 PolarHBondContact O-N 3.28Å; L309-T311 VanDerWaalsContact C-N 3.3Å; L309-T311 PolarHBondContact O-N 3.34Å; L309-G312 PolarHBondContact O-N 2.97Å; L309-G312 VanDerWaalsContact O-N 3.09Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 2.82Å
310F96.9Very high95.6Very high47 Ų4721 Ų2121%0.20612%0.124CC..Hα-helixtrans-62.7-36.6176-172.6-108.6000112.2T218 F228 L231 W232 A306 V307 G312 L313 A314T218-F310 HydrophobicContact CG2-CD1 3.26Å; T218-F310 HydrophobicContact CG2-CE1 3.52Å; T218-F310 HydrophobicContact CG2-CG 4.4Å; F228-F310 HydrophobicContact CD2-CE2 4.25Å; F228-F310 AromaticContact CD2-CZ 3.75Å; F228-F310 HydrophobicContact CD2-CZ 3.75Å; F228-F310 AromaticContact CE2-CE2 3.68Å; F228-F310 HydrophobicContact CE2-CE2 3.68Å; F228-F310 AromaticContact CE2-CZ 3.62Å; F228-F310 HydrophobicContact CE2-CZ 3.62Å; L231-F310 HydrophobicContact CD1-CZ 4.36Å; L231-F310 HydrophobicContact CD2-CE2 3.79Å; L231-F310 HydrophobicContact CD2-CZ 3.87Å; W232-F310 HydrophobicContact CE3-CE2 4.23Å; W232-F310 HydrophobicContact CZ3-CD2 4.34Å; W232-F310 HydrophobicContact CZ3-CE2 4.18Å; A306-F310 VanDerWaalsContact O-CB 3.26Å; A306-F310 WeakPolarHBondContact O-CB 3.46Å; A306-F310 PolarHBondContact O-N 2.91Å; V307-F310 CarbonylContact O-C 3.41Å; V307-F310 PolarHBondContact O-N 3.5Å; F310-G312 VanDerWaalsContact C-N 3.35Å; F310-G312 PolarHBondContact O-N 3.49Å; F310-L313 PolarHBondContact O-N 3.11Å; F310-A314 WeakPolarHBondContact O-CB 3.49Å; F310-A314 PolarHBondContact O-N 3.37Å
311T95.9Very high95.4Very high0 Ų018.2 Ų18.20%011%0.113CC..Hα-helixtrans-57.5-47.6170.4-50.90000110.8L214 T218 V307 Q308 L309 L313 A314 I315 L337L214-T311 HydrophobicContact CD1-CG2 3.86Å; T218-T311 WeakPolarHBondContact OG1-CB 3.49Å; T218-T311 PolarHBondContact OG1-OG1 2.98Å; V307-T311 PolarHBondContact O-N 3.35Å; V307-T311 PolarHBondContact O-OG1 2.89Å; Q308-T311 WeakPolarHBondContact O-CB 3.47Å; Q308-T311 PolarHBondContact O-N 3.46Å; L309-T311 VanDerWaalsContact C-N 3.3Å; L309-T311 PolarHBondContact O-N 3.34Å; T311-L313 PolarHBondContact O-N 3.44Å; T311-A314 WeakPolarHBondContact O-CB 3.38Å; T311-A314 PolarHBondContact O-N 3.5Å; T311-I315 HydrophobicContact CG2-CD1 4.1Å; T311-I315 VanDerWaalsContact O-CG1 3.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.14Å; T311-I315 PolarHBondContact O-N 3.43Å; T311-L337 HydrophobicContact CG2-CD1 3.94Å
312G96.2Very high95.4Very high0 Ų019.7 Ų19.70%012%0.123CC..Hα-helixtrans-62.1-40.2177.200000113.4A89 Q308 L309 F310 I315 Y316A89-G312 WeakPolarHBondContact O-CA 3.35Å; Q308-G312 PolarHBondContact O-N 2.89Å; Q308-G312 VanDerWaalsContact O-N 3.08Å; L309-G312 PolarHBondContact O-N 2.97Å; L309-G312 VanDerWaalsContact O-N 3.09Å; F310-G312 VanDerWaalsContact C-N 3.35Å; F310-G312 PolarHBondContact O-N 3.49Å; G312-I315 PolarHBondContact O-N 3.34Å; G312-Y316 PolarHBondContact O-N 2.96Å
313L97.6Very high95.4Very high1 Ų118.9 Ų18.91%0.00512%0.117CC..Hα-helixtrans-64.7-38.9173.6-63.6179.5000112.3A92 I97 W232 V235 R240 L309 F310 T311 Y316 A317A92-L313 HydrophobicContact CB-CD2 4.29Å; A92-L313 HydrophobicContact CB-CG 4.32Å; I97-L313 HydrophobicContact CB-CD1 4.33Å; I97-L313 HydrophobicContact CD1-CD1 4.05Å; I97-L313 HydrophobicContact CG1-CD1 4.33Å; W232-L313 HydrophobicContact CZ3-CD1 4.5Å; V235-L313 HydrophobicContact CG1-CB 4.38Å; V235-L313 HydrophobicContact CG1-CD1 4.16Å; V235-L313 HydrophobicContact CG1-CD2 4Å; V235-L313 HydrophobicContact CG1-CG 4.41Å; V235-L313 HydrophobicContact CG2-CB 4.09Å; R240-L313 HydrophobicContact CB-CD2 3.81Å; R240-L313 HydrophobicContact CG-CD2 4.34Å; L309-L313 WeakPolarHBondContact O-CG 3.42Å; L309-L313 PolarHBondContact O-N 2.82Å; F310-L313 PolarHBondContact O-N 3.11Å; T311-L313 PolarHBondContact O-N 3.44Å; L313-Y316 WeakPolarHBondContact O-CB 3.43Å; L313-Y316 PolarHBondContact O-N 3.27Å; L313-A317 PolarHBondContact O-N 3.46Å
314A97.8Very high95.4Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-64.4-42.2175.700000111.5T218 I221 L231 F310 T311 Y316 A317 Y318T218-A314 HydrophobicContact CG2-CB 4.46Å; I221-A314 HydrophobicContact CB-CB 4.22Å; I221-A314 HydrophobicContact CG2-CB 3.74Å; I221-A314 VanDerWaalsContact CG2-O 3.25Å; I221-A314 WeakPolarHBondContact CG2-O 3.48Å; L231-A314 HydrophobicContact CD1-CB 3.68Å; F310-A314 WeakPolarHBondContact O-CB 3.49Å; F310-A314 PolarHBondContact O-N 3.37Å; T311-A314 WeakPolarHBondContact O-CB 3.38Å; T311-A314 PolarHBondContact O-N 3.5Å; A314-Y316 VanDerWaalsContact C-N 3.31Å; A314-Y316 PolarHBondContact O-N 2.9Å; A314-A317 PolarHBondContact O-N 2.92Å; A314-Y318 PolarHBondContact O-N 3.06Å
315I97.1Very high95.4Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-61.9-41.2174.2-65.6169.2000110.5Y93 I221 T311 G312 Y318 F319 I336 L337 I340Y93-I315 HydrophobicContact CD2-CB 4.25Å; Y93-I315 HydrophobicContact CD2-CG2 3.79Å; Y93-I315 HydrophobicContact CE2-CG2 3.97Å; I221-I315 HydrophobicContact CD1-CG1 3.74Å; T311-I315 HydrophobicContact CG2-CD1 4.1Å; T311-I315 VanDerWaalsContact O-CG1 3.24Å; T311-I315 WeakPolarHBondContact O-CG1 3.14Å; T311-I315 PolarHBondContact O-N 3.43Å; G312-I315 PolarHBondContact O-N 3.34Å; I315-Y318 PolarHBondContact O-N 2.93Å; I315-F319 HydrophobicContact CG2-CD2 3.8Å; I315-F319 HydrophobicContact CG2-CE2 3.96Å; I315-F319 WeakPolarHBondContact O-CD2 3.48Å; I315-F319 PolarHBondContact O-N 2.86Å; I315-F319 VanDerWaalsContact O-N 3.1Å; I315-I336 HydrophobicContact CG2-CD1 3.84Å; I315-I336 HydrophobicContact CG2-CG1 3.75Å; I315-I336 HydrophobicContact CG2-CG2 4.41Å; I315-L337 HydrophobicContact CD1-CB 4.22Å; I315-L337 HydrophobicContact CD1-CD1 3.75Å; I315-I340 HydrophobicContact CD1-CG2 3.78Å; I315-I340 HydrophobicContact CG1-CB 4.42Å; I315-I340 HydrophobicContact CG1-CG1 4.48Å; I315-I340 HydrophobicContact CG1-CG2 3.88Å
316Y97.2Very high95.3Very high25 Ų2522.5 Ų22.510%0.09813%0.128CC..Hα-helixtrans-58.5-49.1173.6169-100.4000111.7Y93 I234 V235 G238 R240 G312 L313 A314 Y318 F319 A320 L494Y93-Y316 VanDerWaalsContact CD2-CA 3.41Å; Y93-Y316 HydrophobicContact CE2-CD2 4.37Å; I234-Y316 HydrophobicContact CG2-CE1 4.16Å; V235-Y316 HydrophobicContact CG2-CD1 4.21Å; G238-Y316 VanDerWaalsContact CA-OH 3.3Å; G238-Y316 WeakPolarHBondContact CA-OH 3.29Å; R240-Y316 HydrophobicContact CG-CD1 4.23Å; R240-Y316 HydrophobicContact CG-CE1 4.27Å; R240-Y316 VanDerWaalsContact CZ-CZ 3.41Å; R240-Y316 PolarHBondContact NH1-OH 3.41Å; G312-Y316 PolarHBondContact O-N 2.96Å; L313-Y316 WeakPolarHBondContact O-CB 3.43Å; L313-Y316 PolarHBondContact O-N 3.27Å; A314-Y316 VanDerWaalsContact C-N 3.31Å; A314-Y316 PolarHBondContact O-N 2.9Å; Y316-Y318 VanDerWaalsContact C-N 3.28Å; Y316-Y318 PolarHBondContact O-N 3.37Å; Y316-F319 CarbonylContact O-C 3.28Å; Y316-F319 PolarHBondContact O-N 3.33Å; Y316-A320 PolarHBondContact O-N 2.67Å; Y316-L494 HydrophobicContact CD2-CD2 4.16Å; Y316-L494 HydrophobicContact CE2-CD2 4.04Å
317A97.1Very high95.2Very high5 Ų522.3 Ų22.34%0.04112%0.121CC..Hα-helixtrans-61.9-36.8179.300000112.7V225 L231 I234 V235 L313 A314 A320V225-A317 HydrophobicContact CG1-CB 4.24Å; V225-A317 HydrophobicContact CG2-CB 4.29Å; L231-A317 HydrophobicContact CB-CB 4.35Å; L231-A317 HydrophobicContact CD1-CB 4.47Å; L231-A317 HydrophobicContact CG-CB 3.73Å; I234-A317 HydrophobicContact CB-CB 4.21Å; I234-A317 HydrophobicContact CD1-CB 4.39Å; I234-A317 HydrophobicContact CG2-CB 4.05Å; V235-A317 HydrophobicContact CG2-CB 4.24Å; L313-A317 PolarHBondContact O-N 3.46Å; A314-A317 PolarHBondContact O-N 2.92Å; A317-A320 WeakPolarHBondContact O-CB 3.44Å; A317-A320 PolarHBondContact O-N 2.64Å
318Y96.5Very high95Very high80 Ų8023.3 Ų23.331%0.31414%0.14SC..Hα-helixtrans-64-42.2176.3-174.6-87.6000112.6I221 K224 V225 A314 I315 Y316 A320 I340 I343I221-Y318 HydrophobicContact CG2-CD2 4.44Å; K224-Y318 HydrophobicContact CB-CD2 4.25Å; K224-Y318 HydrophobicContact CB-CE2 3.97Å; V225-Y318 HydrophobicContact CG2-CD2 4.24Å; A314-Y318 PolarHBondContact O-N 3.06Å; I315-Y318 PolarHBondContact O-N 2.93Å; Y316-Y318 VanDerWaalsContact C-N 3.28Å; Y316-Y318 PolarHBondContact O-N 3.37Å; Y318-A320 VanDerWaalsContact C-N 3.34Å; Y318-I340 HydrophobicContact CD1-CD1 3.34Å; Y318-I340 HydrophobicContact CD2-CD1 4.3Å; Y318-I340 HydrophobicContact CE1-CD1 3.46Å; Y318-I340 VanDerWaalsContact CE1-CD1 3.46Å; Y318-I340 HydrophobicContact CE2-CD1 4.4Å; Y318-I340 HydrophobicContact CG-CD1 3.79Å; Y318-I343 HydrophobicContact CE1-CG2 4.49Å
319F96.1Very high94.8Very high22 Ų2225.2 Ų25.210%0.09615%0.154CC..THydrogen-bonded Turntrans-94.316.2179.2-67.7-61.2000113.7Y93 I315 Y316 G321 C322 P324 I336 Y339 I340 I343Y93-F319 HydrophobicContact CE2-CB 4.33Å; Y93-F319 HydrophobicContact CE2-CD2 4.35Å; I315-F319 HydrophobicContact CG2-CD2 3.8Å; I315-F319 HydrophobicContact CG2-CE2 3.96Å; I315-F319 WeakPolarHBondContact O-CD2 3.48Å; I315-F319 PolarHBondContact O-N 2.86Å; I315-F319 VanDerWaalsContact O-N 3.1Å; Y316-F319 CarbonylContact O-C 3.28Å; Y316-F319 PolarHBondContact O-N 3.33Å; F319-G321 PolarHBondContact O-N 3.16Å; F319-G321 VanDerWaalsContact O-N 3.1Å; F319-C322 CarbonylContact O-C 3.59Å; F319-C322 PolarHBondContact O-N 3.42Å; F319-P324 HydrophobicContact CB-CG 4.18Å; F319-P324 HydrophobicContact CD1-CG 3.54Å; F319-P324 HydrophobicContact CD2-CG 3.62Å; F319-P324 HydrophobicContact CE1-CG 3.69Å; F319-P324 HydrophobicContact CE2-CG 3.75Å; F319-P324 HydrophobicContact CG-CG 3.5Å; F319-P324 HydrophobicContact CZ-CG 3.79Å; F319-I336 HydrophobicContact CE2-CG1 4.47Å; F319-Y339 HydrophobicContact CE1-CE1 4.11Å; F319-Y339 HydrophobicContact CE2-CD1 4.31Å; F319-Y339 AromaticContact CZ-CD1 3.81Å; F319-Y339 HydrophobicContact CZ-CD1 3.81Å; F319-Y339 AromaticContact CZ-CE1 3.75Å; F319-Y339 HydrophobicContact CZ-CE1 3.75Å; F319-I340 HydrophobicContact CE2-CB 4.21Å; F319-I340 HydrophobicContact CE2-CD1 3.78Å; F319-I340 HydrophobicContact CE2-CG1 4.43Å; F319-I340 HydrophobicContact CZ-CD1 3.74Å; F319-I343 HydrophobicContact CE1-CD1 4.02Å; F319-I343 HydrophobicContact CZ-CD1 3.72Å
320A93.5Very high94.6Very high32 Ų3225.7 Ų25.726%0.26416%0.156SC..THydrogen-bonded Turntrans-60.5120-176.600000111I234 Y316 A317 Y318I234-A320 HydrophobicContact CG2-CB 3.38Å; Y316-A320 PolarHBondContact O-N 2.67Å; A317-A320 WeakPolarHBondContact O-CB 3.44Å; A317-A320 PolarHBondContact O-N 2.64Å; Y318-A320 VanDerWaalsContact C-N 3.34Å
321G90.5Very high94.1Very high14 Ų1431.9 Ų31.914%0.14418%0.183CC..THydrogen-bonded Turntrans88.9-10.1-176.200000115.2F319 T495 I496 K497 N498F319-G321 PolarHBondContact O-N 3.16Å; F319-G321 VanDerWaalsContact O-N 3.1Å; G321-T495 CarbonylContact C-O 3.05Å; G321-T495 VanDerWaalsContact C-O 3.28Å; G321-T495 WeakPolarHBondContact CA-OG1 3.23Å; G321-I496 CarbonylContact O-C 3.59Å; G321-I496 VanDerWaalsContact O-CA 3.29Å; G321-I496 WeakPolarHBondContact O-CA 2.86Å; G321-K497 PolarHBondContact O-N 3.3Å; G321-N498 WeakPolarHBondContact O-CA 3.19Å; G321-N498 PolarHBondContact O-N 3.16Å
322C94.5Very high93.6Very high31 Ų3135.3 Ų35.321%0.20920%0.196CC..  trans-140.678174.8-170.70000111.8F319 P324 N327 T495 C499F319-C322 CarbonylContact O-C 3.59Å; F319-C322 PolarHBondContact O-N 3.42Å; C322-P324 WeakPolarHBondContact O-CD 3.3Å; C322-N327 PolarHBondContact SG-ND2 3.31Å; C322-T495 PolarHBondContact N-O 2.95Å; C322-C499 WeakPolarHBondContact CA-SG 3.41Å; C322-C499 HydrophobicContact CB-CB 4Å; C322-C499 WeakPolarHBondContact CB-SG 3.49Å; C322-C499 WeakPolarHBondContact SG-CA 3.29Å; C322-C499 WeakPolarHBondContact SG-CB 3.45Å; C322-C499 CovalentContact SG-SG 2.04Å; C322-C499 PolarHBondContact SG-SG 3.49Å
323D95.6Very high93.2Very high1 Ų136.2 Ų36.21%0.00520%0.199CC..  trans-62.5124.2179.7-179.9-74.9000112.1Y93 V325 L326 N327 Y333 L494 T495Y93-D323 WeakPolarHBondContact CE1-OD2 3.47Å; Y93-D323 PolarHBondContact OH-OD2 3.29Å; D323-V325 VanDerWaalsContact C-N 3.31Å; D323-V325 PolarHBondContact O-N 3.4Å; D323-V325 WeakPolarHBondContact OD1-CA 3.4Å; D323-V325 WeakPolarHBondContact OD1-CB 3.4Å; D323-V325 PolarHBondContact OD1-N 3.11Å; D323-L326 HydrophobicContact CB-CB 4.03Å; D323-L326 HydrophobicContact CB-CD1 3.96Å; D323-L326 HydrophobicContact CB-CG 4.04Å; D323-L326 PolarHBondContact O-N 3.19Å; D323-L326 WeakPolarHBondContact OD1-CG 3.33Å; D323-L326 PolarHBondContact OD1-N 3.11Å; D323-N327 WeakPolarHBondContact O-CB 3.23Å; D323-N327 PolarHBondContact O-N 3.36Å; D323-N327 PolarHBondContact O-ND2 2.62Å; D323-Y333 WeakPolarHBondContact OD2-CE1 3.26Å; D323-Y333 PolarHBondContact OD2-OH 3.45Å; D323-L494 HydrophobicContact CB-CB 4.35Å; D323-L494 WeakPolarHBondContact OD2-CD1 3.32Å; D323-T495 PolarHBondContact N-O 3.34Å
324P94.1Very high92.5Very high1 Ų137.6 Ų37.61%0.00621%0.207CC..THydrogen-bonded Turntrans-67.6-22.6-177.3-26.137.3000115.7Y93 F319 C322 N327 S329 I330 Y339Y93-P324 WeakPolarHBondContact OH-CD 3.29Å; F319-P324 HydrophobicContact CB-CG 4.18Å; F319-P324 HydrophobicContact CD1-CG 3.54Å; F319-P324 HydrophobicContact CD2-CG 3.62Å; F319-P324 HydrophobicContact CE1-CG 3.69Å; F319-P324 HydrophobicContact CE2-CG 3.75Å; F319-P324 HydrophobicContact CG-CG 3.5Å; F319-P324 HydrophobicContact CZ-CG 3.79Å; C322-P324 WeakPolarHBondContact O-CD 3.3Å; P324-N327 WeakPolarHBondContact CA-OD1 2.95Å; P324-N327 PolarHBondContact O-OD1 2.91Å; P324-S329 PolarHBondContact O-N 2.82Å; P324-I330 HydrophobicContact CB-CD1 3.82Å; P324-I330 HydrophobicContact CB-CG1 3.65Å; P324-I330 WeakPolarHBondContact O-CG1 3.4Å; P324-I330 PolarHBondContact O-N 2.89Å; P324-Y339 HydrophobicContact CB-CD1 4.01Å; P324-Y339 HydrophobicContact CB-CE1 3.72Å; P324-Y339 HydrophobicContact CG-CD1 4.24Å; P324-Y339 HydrophobicContact CG-CE1 4Å
325V92.3Very high92Very high31 Ų3137.9 Ų37.919%0.18821%0.208CC..THydrogen-bonded Turntrans-82.5-47.1177.2177.30000109.5D323 N327 G328 I330 Y333D323-V325 VanDerWaalsContact C-N 3.31Å; D323-V325 PolarHBondContact O-N 3.4Å; D323-V325 WeakPolarHBondContact OD1-CA 3.4Å; D323-V325 WeakPolarHBondContact OD1-CB 3.4Å; D323-V325 PolarHBondContact OD1-N 3.11Å; V325-N327 VanDerWaalsContact C-N 3.32Å; V325-N327 PolarHBondContact O-N 3.29Å; V325-G328 PolarHBondContact O-N 2.91Å; V325-G328 VanDerWaalsContact O-N 3.14Å; V325-I330 WeakPolarHBondContact CA-O 3.46Å; V325-I330 HydrophobicContact CG2-CD1 3.79Å; V325-I330 HydrophobicContact CG2-CG1 3.7Å; V325-Y333 HydrophobicContact CB-CD1 4.37Å; V325-Y333 HydrophobicContact CB-CE1 3.82Å; V325-Y333 HydrophobicContact CB-CE2 4.2Å; V325-Y333 HydrophobicContact CG1-CE2 4.06Å; V325-Y333 HydrophobicContact CG2-CD1 3.54Å; V325-Y333 HydrophobicContact CG2-CD2 4.17Å; V325-Y333 HydrophobicContact CG2-CE1 3.49Å; V325-Y333 VanDerWaalsContact CG2-CE1 3.49Å; V325-Y333 HydrophobicContact CG2-CE2 4.15Å; V325-Y333 HydrophobicContact CG2-CG 3.87Å
326L92.8Very high91.8Very high95 Ų9537.9 Ų37.950%0.49721%0.208SC..THydrogen-bonded Turntrans-67.6-31.8179.9-62.6-179.2000112.3D323 G328 L494 I496D323-L326 HydrophobicContact CB-CB 4.03Å; D323-L326 HydrophobicContact CB-CD1 3.96Å; D323-L326 HydrophobicContact CB-CG 4.04Å; D323-L326 PolarHBondContact O-N 3.19Å; D323-L326 WeakPolarHBondContact OD1-CG 3.33Å; D323-L326 PolarHBondContact OD1-N 3.11Å; L326-G328 VanDerWaalsContact C-N 3.29Å; L326-L494 HydrophobicContact CD1-CB 3.88Å; L326-I496 HydrophobicContact CB-CG2 3.59Å
327N92.5Very high91.5Very high38 Ų3836.8 Ų36.820%0.20320%0.204CC..THydrogen-bonded Turntrans-82.2-5.3174.97914.5000113.8C322 D323 P324 V325 S329 I496C322-N327 PolarHBondContact SG-ND2 3.31Å; D323-N327 WeakPolarHBondContact O-CB 3.23Å; D323-N327 PolarHBondContact O-N 3.36Å; D323-N327 PolarHBondContact O-ND2 2.62Å; P324-N327 WeakPolarHBondContact CA-OD1 2.95Å; P324-N327 PolarHBondContact O-OD1 2.91Å; V325-N327 VanDerWaalsContact C-N 3.32Å; V325-N327 PolarHBondContact O-N 3.29Å; N327-S329 WeakPolarHBondContact OD1-CB 3.36Å; N327-S329 PolarHBondContact OD1-N 3.14Å; N327-S329 PolarHBondContact OD1-OG 2.92Å; N327-I496 HydrophobicContact CB-CG2 4.28Å
328G91.1Very high91.2Very high61 Ų6136.5 Ų36.563%0.62920%0.202SC*.THydrogen-bonded Turntrans82.37.5177.400000116.1V325 L326 I330V325-G328 PolarHBondContact O-N 2.91Å; V325-G328 VanDerWaalsContact O-N 3.14Å; L326-G328 VanDerWaalsContact C-N 3.29Å; G328-I330 VanDerWaalsContact C-N 3.32Å
329S90Very high91Very high45 Ų4534.9 Ų34.932%0.31520%0.196SC..SBendtrans-68-33.2176.9-58.60000112.6P324 N327 Y339P324-S329 PolarHBondContact O-N 2.82Å; N327-S329 WeakPolarHBondContact OD1-CB 3.36Å; N327-S329 PolarHBondContact OD1-N 3.14Å; N327-S329 PolarHBondContact OD1-OG 2.92Å; S329-Y339 VanDerWaalsContact CB-OH 3.28Å; S329-Y339 WeakPolarHBondContact CB-OH 3.19Å
330I90.9Very high90.7Very high10 Ų1033.9 Ų33.95%0.05119%0.191CC..  trans-132.1157172.355.8171.6000109.8V171 P324 V325 G328 Q335 I336 Y339V171-I330 HydrophobicContact CG1-CG2 4.32Å; P324-I330 HydrophobicContact CB-CD1 3.82Å; P324-I330 HydrophobicContact CB-CG1 3.65Å; P324-I330 WeakPolarHBondContact O-CG1 3.4Å; P324-I330 PolarHBondContact O-N 2.89Å; V325-I330 WeakPolarHBondContact CA-O 3.46Å; V325-I330 HydrophobicContact CG2-CD1 3.79Å; V325-I330 HydrophobicContact CG2-CG1 3.7Å; G328-I330 VanDerWaalsContact C-N 3.32Å; I330-Q335 HydrophobicContact CB-CB 4.34Å; I330-Q335 HydrophobicContact CD1-CB 4.36Å; I330-Q335 HydrophobicContact CG2-CB 4.43Å; I330-I336 HydrophobicContact CD1-CB 4.08Å; I330-I336 HydrophobicContact CD1-CG1 4.06Å; I330-Y339 HydrophobicContact CD1-CD1 4.43Å; I330-Y339 HydrophobicContact CG2-CD1 3.99Å; I330-Y339 HydrophobicContact CG2-CD2 3.47Å; I330-Y339 VanDerWaalsContact CG2-CD2 3.47Å; I330-Y339 HydrophobicContact CG2-CE1 4.44Å; I330-Y339 HydrophobicContact CG2-CE2 3.98Å; I330-Y339 HydrophobicContact CG2-CG 3.48Å; I330-Y339 VanDerWaalsContact CG2-CG 3.48Å
331K87Confident90.6Very high177 Ų17732.4 Ų32.477%0.7718%0.179SC*.SBendtrans-89.6-25.1-176.1-66.7-174.5179.6-178.60112.8
332R84.4Confident90.5Very high72 Ų7231.8 Ų31.827%0.27217%0.172SC..  trans-148.5153.3-171.6-62.7-172.7-170.8154.312.1112.3D334 Q335 S427R332-D334 VanDerWaalsContact C-N 3.34Å; R332-D334 WeakPolarHBondContact CB-OD1 3.43Å; R332-D334 PolarHBondContact O-N 2.94Å; R332-Q335 HydrophobicContact CB-CG 4.47Å; R332-Q335 WeakPolarHBondContact O-CB 3.29Å; R332-Q335 PolarHBondContact O-N 3.2Å; R332-S427 PolarHBondContact NH1-O 2.76Å; R332-S427 PolarHBondContact NH2-OG 3.35Å
333Y88.2Confident90.2Very high19 Ų1932.6 Ų32.68%0.07517%0.174CC..G310 helixtrans-71.6-22.8-178.3-69.3-73.6000114.4S90 Y93 Q94 D323 V325 Q335 I336 L494S90-Y333 VanDerWaalsContact OG-CB 3.24Å; S90-Y333 WeakPolarHBondContact OG-CB 3.34Å; S90-Y333 PolarHBondContact OG-O 3.1Å; Y93-Y333 AromaticContact CD1-CD1 3.94Å; Y93-Y333 HydrophobicContact CD1-CD1 3.94Å; Y93-Y333 AromaticContact CD1-CE1 3.98Å; Y93-Y333 HydrophobicContact CD1-CE1 3.98Å; Y93-Y333 HydrophobicContact CE1-CD1 4.05Å; Y93-Y333 AromaticContact CE1-CE1 3.71Å; Y93-Y333 HydrophobicContact CE1-CE1 3.71Å; Q94-Y333 HydrophobicContact CG-CD1 3.79Å; Q94-Y333 HydrophobicContact CG-CD2 3.96Å; Q94-Y333 HydrophobicContact CG-CE1 4.09Å; Q94-Y333 HydrophobicContact CG-CE2 4.22Å; Q94-Y333 HydrophobicContact CG-CG 3.74Å; D323-Y333 WeakPolarHBondContact OD2-CE1 3.26Å; D323-Y333 PolarHBondContact OD2-OH 3.45Å; V325-Y333 HydrophobicContact CB-CD1 4.37Å; V325-Y333 HydrophobicContact CB-CE1 3.82Å; V325-Y333 HydrophobicContact CB-CE2 4.2Å; V325-Y333 HydrophobicContact CG1-CE2 4.06Å; V325-Y333 HydrophobicContact CG2-CD1 3.54Å; V325-Y333 HydrophobicContact CG2-CD2 4.17Å; V325-Y333 HydrophobicContact CG2-CE1 3.49Å; V325-Y333 VanDerWaalsContact CG2-CE1 3.49Å; V325-Y333 HydrophobicContact CG2-CE2 4.15Å; V325-Y333 HydrophobicContact CG2-CG 3.87Å; Y333-Q335 PolarHBondContact O-N 3.43Å; Y333-I336 HydrophobicContact CD1-CD1 4.47Å; Y333-I336 VanDerWaalsContact O-CB 3.29Å; Y333-I336 WeakPolarHBondContact O-CB 3.36Å; Y333-I336 WeakPolarHBondContact O-CG2 3.17Å; Y333-I336 PolarHBondContact O-N 3.37Å; Y333-I336 VanDerWaalsContact O-N 3.1Å; Y333-L494 HydrophobicContact CE1-CD1 4.01Å; Y333-L494 VanDerWaalsContact OH-CD1 3.26Å; Y333-L494 WeakPolarHBondContact OH-CD1 2.94Å
334D82.4Confident89.8Confident31 Ų3133.5 Ų33.517%0.16618%0.178CC..G310 helixtrans-65-20.9171.859.1-20.1000112.6L86 R332 I336L86-D334 WeakPolarHBondContact CD2-O 3.38Å; R332-D334 VanDerWaalsContact C-N 3.34Å; R332-D334 WeakPolarHBondContact CB-OD1 3.43Å; R332-D334 PolarHBondContact O-N 2.94Å; D334-I336 VanDerWaalsContact C-N 3.3Å
335Q89Confident89.3Confident5 Ų534 Ų342%0.02318%0.181CC..G310 helixtrans-80-9174.6-58.7168.4-16.500113.2Q170 V171 I330 R332 Y333 L337 P338 Y339Q170-Q335 VanDerWaalsContact CD-NE2 3.29Å; V171-Q335 HydrophobicContact CG1-CB 3.97Å; I330-Q335 HydrophobicContact CB-CB 4.34Å; I330-Q335 HydrophobicContact CD1-CB 4.36Å; I330-Q335 HydrophobicContact CG2-CB 4.43Å; R332-Q335 HydrophobicContact CB-CG 4.47Å; R332-Q335 WeakPolarHBondContact O-CB 3.29Å; R332-Q335 PolarHBondContact O-N 3.2Å; Y333-Q335 PolarHBondContact O-N 3.43Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 2.96Å; Q335-P338 VanDerWaalsContact O-CD 3.32Å; Q335-P338 WeakPolarHBondContact O-CD 3.41Å; Q335-Y339 WeakPolarHBondContact O-CB 3.28Å; Q335-Y339 PolarHBondContact O-N 3.41Å
336I91.7Very high88.7Confident1 Ų137.4 Ų37.41%0.00520%0.198CC..Hα-helixtrans-66.8-36.9-167-153.8167.8000113.2Y93 I315 F319 I330 Y333 D334 Y339 I340Y93-I336 HydrophobicContact CD1-CD1 3.78Å; Y93-I336 HydrophobicContact CD2-CD1 3.39Å; Y93-I336 HydrophobicContact CE1-CD1 3.67Å; Y93-I336 HydrophobicContact CE2-CD1 3.23Å; Y93-I336 HydrophobicContact CG-CD1 3.66Å; Y93-I336 VanDerWaalsContact CZ-CD1 3.4Å; I315-I336 HydrophobicContact CG2-CD1 3.84Å; I315-I336 HydrophobicContact CG2-CG1 3.75Å; I315-I336 HydrophobicContact CG2-CG2 4.41Å; F319-I336 HydrophobicContact CE2-CG1 4.47Å; I330-I336 HydrophobicContact CD1-CB 4.08Å; I330-I336 HydrophobicContact CD1-CG1 4.06Å; Y333-I336 HydrophobicContact CD1-CD1 4.47Å; Y333-I336 VanDerWaalsContact O-CB 3.29Å; Y333-I336 WeakPolarHBondContact O-CB 3.36Å; Y333-I336 WeakPolarHBondContact O-CG2 3.17Å; Y333-I336 PolarHBondContact O-N 3.37Å; Y333-I336 VanDerWaalsContact O-N 3.1Å; D334-I336 VanDerWaalsContact C-N 3.3Å; I336-Y339 PolarHBondContact O-N 3.47Å; I336-I340 PolarHBondContact O-N 3.12Å
337L91.5Very high87.7Confident1 Ų135.7 Ų35.71%0.00520%0.203CC..Hα-helixtrans-70.5-48.3177.9174.467.7000111.3I85 A89 T311 I315 Q335 Y339 I340 V341 F355 I359I85-L337 HydrophobicContact CG2-CD2 3.6Å; A89-L337 HydrophobicContact CB-CB 4.33Å; A89-L337 HydrophobicContact CB-CD2 4.33Å; T311-L337 HydrophobicContact CG2-CD1 3.94Å; I315-L337 HydrophobicContact CD1-CB 4.22Å; I315-L337 HydrophobicContact CD1-CD1 3.75Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 2.96Å; L337-Y339 VanDerWaalsContact C-N 3.28Å; L337-Y339 PolarHBondContact O-N 3.08Å; L337-I340 HydrophobicContact CD1-CG2 4.39Å; L337-I340 WeakPolarHBondContact O-CG2 3.42Å; L337-V341 PolarHBondContact O-N 3.29Å; L337-F355 HydrophobicContact CD1-CZ 4.15Å; L337-F355 HydrophobicContact CD2-CZ 4.19Å; L337-F355 HydrophobicContact CG-CZ 3.87Å; L337-I359 HydrophobicContact CD2-CD1 4.36Å
338P90Very high86.9Confident0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-55.5-41.3168.4-2935.3000113.5L86 A167 F168 V171 Q335 V341 M342L86-P338 HydrophobicContact CD2-CG 4.19Å; A167-P338 HydrophobicContact CB-CG 4.05Å; F168-P338 HydrophobicContact CD1-CB 4.5Å; F168-P338 HydrophobicContact CD2-CG 4.38Å; F168-P338 HydrophobicContact CE2-CG 4.33Å; V171-P338 HydrophobicContact CB-CB 4.44Å; V171-P338 HydrophobicContact CG1-CB 4.29Å; V171-P338 HydrophobicContact CG2-CB 3.41Å; V171-P338 VanDerWaalsContact CG2-CB 3.41Å; Q335-P338 VanDerWaalsContact O-CD 3.32Å; Q335-P338 WeakPolarHBondContact O-CD 3.41Å; P338-V341 PolarHBondContact O-N 3.22Å; P338-M342 WeakPolarHBondContact O-CG 3.45Å; P338-M342 PolarHBondContact O-N 2.93Å; P338-M342 VanDerWaalsContact O-N 3.16Å
339Y91.9Very high85.9Confident46 Ų4637.8 Ų37.818%0.1821%0.205CC..Hα-helixtrans-64.7-46.4-177.2-178-116.4000113F319 P324 S329 I330 Q335 I336 L337 V341 M342 I343F319-Y339 HydrophobicContact CE1-CE1 4.11Å; F319-Y339 HydrophobicContact CE2-CD1 4.31Å; F319-Y339 AromaticContact CZ-CD1 3.81Å; F319-Y339 HydrophobicContact CZ-CD1 3.81Å; F319-Y339 AromaticContact CZ-CE1 3.75Å; F319-Y339 HydrophobicContact CZ-CE1 3.75Å; P324-Y339 HydrophobicContact CB-CD1 4.01Å; P324-Y339 HydrophobicContact CB-CE1 3.72Å; P324-Y339 HydrophobicContact CG-CD1 4.24Å; P324-Y339 HydrophobicContact CG-CE1 4Å; S329-Y339 VanDerWaalsContact CB-OH 3.28Å; S329-Y339 WeakPolarHBondContact CB-OH 3.19Å; I330-Y339 HydrophobicContact CD1-CD1 4.43Å; I330-Y339 HydrophobicContact CG2-CD1 3.99Å; I330-Y339 HydrophobicContact CG2-CD2 3.47Å; I330-Y339 VanDerWaalsContact CG2-CD2 3.47Å; I330-Y339 HydrophobicContact CG2-CE1 4.44Å; I330-Y339 HydrophobicContact CG2-CE2 3.98Å; I330-Y339 HydrophobicContact CG2-CG 3.48Å; I330-Y339 VanDerWaalsContact CG2-CG 3.48Å; Q335-Y339 WeakPolarHBondContact O-CB 3.28Å; Q335-Y339 PolarHBondContact O-N 3.41Å; I336-Y339 PolarHBondContact O-N 3.47Å; L337-Y339 VanDerWaalsContact C-N 3.28Å; L337-Y339 PolarHBondContact O-N 3.08Å; Y339-V341 PolarHBondContact O-N 3.12Å; Y339-M342 PolarHBondContact O-N 3.1Å; Y339-M342 VanDerWaalsContact O-N 3.16Å; Y339-I343 HydrophobicContact CD1-CD1 3.77Å; Y339-I343 HydrophobicContact CD2-CD1 4.4Å; Y339-I343 HydrophobicContact CE1-CD1 3.27Å; Y339-I343 HydrophobicContact CE1-CG1 4.47Å; Y339-I343 HydrophobicContact CE2-CD1 3.98Å; Y339-I343 HydrophobicContact CE2-CG1 4.43Å; Y339-I343 HydrophobicContact CG-CD1 4.3Å; Y339-I343 PolarHBondContact O-N 2.91Å; Y339-I343 VanDerWaalsContact O-N 3.13Å
340I91.4Very high85.1Confident0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-62.1-34.8178.1-171.360.6000111.5I221 I315 Y318 F319 I336 L337 I343 L344I221-I340 HydrophobicContact CD1-CG1 3.91Å; I221-I340 HydrophobicContact CD1-CG2 4.25Å; I221-I340 HydrophobicContact CG1-CG1 4.06Å; I315-I340 HydrophobicContact CD1-CG2 3.78Å; I315-I340 HydrophobicContact CG1-CB 4.42Å; I315-I340 HydrophobicContact CG1-CG1 4.48Å; I315-I340 HydrophobicContact CG1-CG2 3.88Å; Y318-I340 HydrophobicContact CD1-CD1 3.34Å; Y318-I340 HydrophobicContact CD2-CD1 4.3Å; Y318-I340 HydrophobicContact CE1-CD1 3.46Å; Y318-I340 VanDerWaalsContact CE1-CD1 3.46Å; Y318-I340 HydrophobicContact CE2-CD1 4.4Å; Y318-I340 HydrophobicContact CG-CD1 3.79Å; F319-I340 HydrophobicContact CE2-CB 4.21Å; F319-I340 HydrophobicContact CE2-CD1 3.78Å; F319-I340 HydrophobicContact CE2-CG1 4.43Å; F319-I340 HydrophobicContact CZ-CD1 3.74Å; I336-I340 PolarHBondContact O-N 3.12Å; L337-I340 HydrophobicContact CD1-CG2 4.39Å; L337-I340 WeakPolarHBondContact O-CG2 3.42Å; I340-I343 PolarHBondContact O-N 3.32Å; I340-L344 WeakPolarHBondContact O-CB 3.42Å; I340-L344 PolarHBondContact O-N 3.23Å
341V90.3Very high84.5Confident2 Ų240.6 Ų40.61%0.01222%0.217CC..Hα-helixtrans-66.2-42.3177.4172.10000110.9I217 L337 P338 Y339 I343 L344 F345 F355I217-V341 HydrophobicContact CD1-CG2 3.55Å; I217-V341 HydrophobicContact CG1-CG2 4.17Å; I217-V341 HydrophobicContact CG2-CG2 4.35Å; L337-V341 PolarHBondContact O-N 3.29Å; P338-V341 PolarHBondContact O-N 3.22Å; Y339-V341 PolarHBondContact O-N 3.12Å; V341-I343 PolarHBondContact O-N 2.89Å; V341-L344 PolarHBondContact O-N 2.91Å; V341-F345 HydrophobicContact CG1-CD2 3.69Å; V341-F345 HydrophobicContact CG1-CE2 4.01Å; V341-F345 WeakPolarHBondContact O-CD2 3.41Å; V341-F345 PolarHBondContact O-N 3.3Å; V341-F355 HydrophobicContact CB-CD1 3.71Å; V341-F355 HydrophobicContact CB-CE1 3.85Å; V341-F355 HydrophobicContact CB-CG 4.3Å; V341-F355 HydrophobicContact CG1-CB 3.8Å; V341-F355 HydrophobicContact CG1-CD1 3.43Å; V341-F355 VanDerWaalsContact CG1-CD1 3.43Å; V341-F355 HydrophobicContact CG1-CE1 4.12Å; V341-F355 HydrophobicContact CG1-CG 3.76Å; V341-F355 HydrophobicContact CG2-CD1 3.53Å; V341-F355 HydrophobicContact CG2-CD2 4.19Å; V341-F355 HydrophobicContact CG2-CE1 3.4Å; V341-F355 HydrophobicContact CG2-CE2 4.08Å; V341-F355 HydrophobicContact CG2-CG 3.86Å; V341-F355 HydrophobicContact CG2-CZ 3.66Å
342M88.2Confident84.2Confident1 Ų132.9 Ų32.91%0.00518%0.183CC..Hα-helixtrans-62.9-32.3177.4-65.8-54-62.900112.2P3 F5 V171 P338 Y339P3-M342 HydrophobicContact CB-CE 4.26Å; P3-M342 HydrophobicContact CG-CB 3.99Å; P3-M342 WeakPolarHBondContact CG-O 3.19Å; P3-M342 WeakPolarHBondContact O-CE 3.47Å; F5-M342 HydrophobicContact CE1-SD 4.07Å; F5-M342 HydrophobicContact CZ-SD 4.1Å; V171-M342 HydrophobicContact CB-CG 4.4Å; V171-M342 HydrophobicContact CG2-CG 4Å; P338-M342 WeakPolarHBondContact O-CG 3.45Å; P338-M342 PolarHBondContact O-N 2.93Å; P338-M342 VanDerWaalsContact O-N 3.16Å; Y339-M342 PolarHBondContact O-N 3.1Å; Y339-M342 VanDerWaalsContact O-N 3.16Å
343I89.3Confident84Confident47 Ų4729.5 Ų29.524%0.24117%0.17CC..Hα-helixtrans-75.7-50.1174.1-68.7163.3000111.9Y318 F319 Y339 I340 V341 F345 D346Y318-I343 HydrophobicContact CE1-CG2 4.49Å; F319-I343 HydrophobicContact CE1-CD1 4.02Å; F319-I343 HydrophobicContact CZ-CD1 3.72Å; Y339-I343 HydrophobicContact CD1-CD1 3.77Å; Y339-I343 HydrophobicContact CD2-CD1 4.4Å; Y339-I343 HydrophobicContact CE1-CD1 3.27Å; Y339-I343 HydrophobicContact CE1-CG1 4.47Å; Y339-I343 HydrophobicContact CE2-CD1 3.98Å; Y339-I343 HydrophobicContact CE2-CG1 4.43Å; Y339-I343 HydrophobicContact CG-CD1 4.3Å; Y339-I343 PolarHBondContact O-N 2.91Å; Y339-I343 VanDerWaalsContact O-N 3.13Å; I340-I343 PolarHBondContact O-N 3.32Å; V341-I343 PolarHBondContact O-N 2.89Å; I343-F345 PolarHBondContact O-N 3.33Å; I343-D346 WeakPolarHBondContact O-CB 3.44Å; I343-D346 PolarHBondContact O-N 3.23Å; I343-D346 VanDerWaalsContact O-N 3.09Å
344L86.7Confident83.6Confident20 Ų2031.9 Ų31.911%0.10518%0.184CC..Hα-helixtrans-63-34.3-169.3-172.766.3000112.4L220 I221 K224 I340 V341L220-L344 HydrophobicContact CB-CD1 4.43Å; L220-L344 HydrophobicContact CB-CD2 3.67Å; L220-L344 HydrophobicContact CB-CG 4.36Å; L220-L344 HydrophobicContact CD1-CD2 4.33Å; I221-L344 HydrophobicContact CG1-CD2 4.02Å; K224-L344 HydrophobicContact CB-CD1 4.49Å; K224-L344 HydrophobicContact CG-CD1 3.63Å; I340-L344 WeakPolarHBondContact O-CB 3.42Å; I340-L344 PolarHBondContact O-N 3.23Å; V341-L344 PolarHBondContact O-N 2.91Å
345F82.7Confident83.5Confident12 Ų1230.6 Ų30.65%0.05318%0.177CC..THydrogen-bonded Turntrans-106.324.1179.6-57.9-68.8000112.1I217 L220 V341 I343 G347 V348 V351 R352I217-F345 HydrophobicContact CG1-CE2 4.06Å; I217-F345 HydrophobicContact CG1-CZ 4.32Å; L220-F345 HydrophobicContact CD1-CE1 3.34Å; L220-F345 HydrophobicContact CD1-CZ 3.34Å; V341-F345 HydrophobicContact CG1-CD2 3.69Å; V341-F345 HydrophobicContact CG1-CE2 4.01Å; V341-F345 WeakPolarHBondContact O-CD2 3.41Å; V341-F345 PolarHBondContact O-N 3.3Å; I343-F345 PolarHBondContact O-N 3.33Å; F345-G347 PolarHBondContact O-N 3.47Å; F345-V348 HydrophobicContact CB-CB 4.33Å; F345-V348 HydrophobicContact CD1-CB 4.37Å; F345-V348 PolarHBondContact O-N 3.37Å; F345-V351 HydrophobicContact CD1-CB 3.74Å; F345-V351 HydrophobicContact CD1-CG1 3.5Å; F345-V351 HydrophobicContact CD1-CG2 4.45Å; F345-V351 HydrophobicContact CD2-CG1 4.25Å; F345-V351 HydrophobicContact CE1-CB 3.98Å; F345-V351 HydrophobicContact CE1-CG1 3.21Å; F345-V351 HydrophobicContact CE2-CG1 4.01Å; F345-V351 HydrophobicContact CG-CB 4.15Å; F345-V351 HydrophobicContact CG-CG1 4Å; F345-V351 HydrophobicContact CZ-CG1 3.47Å; F345-V351 VanDerWaalsContact CZ-CG1 3.47Å; F345-R352 HydrophobicContact CB-CG 3.64Å; F345-R352 VanDerWaalsContact O-CZ 3.31Å; F345-R352 PolarHBondContact O-NE 2.93Å; F345-R352 PolarHBondContact O-NH2 3.47Å
346D80.3Confident83.2Confident102 Ų10230.4 Ų30.455%0.54518%0.176SC..THydrogen-bonded Turntrans-60.4132.8169.7-162.123.3000110.1I343 V348 R352I343-D346 WeakPolarHBondContact O-CB 3.44Å; I343-D346 PolarHBondContact O-N 3.23Å; I343-D346 VanDerWaalsContact O-N 3.09Å; D346-V348 PolarHBondContact O-N 3.01Å; D346-V348 VanDerWaalsContact O-N 3.1Å; D346-R352 VanDerWaalsContact CA-NH2 3.31Å; D346-R352 IonicContact OD1-CZ 3.71Å; D346-R352 IonicContact OD1-NH2 2.81Å; D346-R352 PolarHBondContact OD1-NH2 3.06Å
347G72.4Confident82.9Confident60 Ų6030.6 Ų30.662%0.61918%0.177SC*.THydrogen-bonded Turntrans69.2-12.6-168.800000117.6F345 V349F345-G347 PolarHBondContact O-N 3.47Å; G347-V349 PolarHBondContact O-N 3.36Å
348V75.5Confident82.7Confident71 Ų7130.7 Ų30.743%0.4318%0.178SC..  trans-95.992.2177.8-169.60000110.4F345 D346 V351F345-V348 HydrophobicContact CB-CB 4.33Å; F345-V348 HydrophobicContact CD1-CB 4.37Å; F345-V348 PolarHBondContact O-N 3.37Å; D346-V348 PolarHBondContact O-N 3.01Å; D346-V348 VanDerWaalsContact O-N 3.1Å; V348-V351 HydrophobicContact CG1-CB 4.38Å; V348-V351 HydrophobicContact CG1-CG2 3.74Å
349V69.5Low82.5Confident71 Ų7130.7 Ų30.743%0.4318%0.178SC..THydrogen-bonded Turntrans-63.6149.5180-169.50000110.2H6 S8 G347 V351H6-V349 HydrophobicContact CB-CG1 4.46Å; S8-V349 WeakPolarHBondContact OG-CG1 3.23Å; G347-V349 PolarHBondContact O-N 3.36Å; V349-V351 VanDerWaalsContact C-N 3.28Å; V349-V351 PolarHBondContact O-N 3.49Å
350L74.6Confident82.3Confident82 Ų8228.5 Ų28.543%0.42917%0.169SC..THydrogen-bonded Turntrans84-41.1178.4-143.880.6000114.6D9 I12 R352 G353 I354D9-L350 PolarHBondContact OD1-N 3.03Å; D9-L350 VanDerWaalsContact OD1-N 3.15Å; I12-L350 HydrophobicContact CD1-CD1 3.69Å; I12-L350 HydrophobicContact CD1-CD2 4.2Å; I12-L350 HydrophobicContact CD1-CG 3.76Å; I12-L350 HydrophobicContact CG1-CD1 3.49Å; I12-L350 VanDerWaalsContact CG1-CD1 3.49Å; I12-L350 HydrophobicContact CG1-CG 3.66Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 2.9Å; L350-G353 PolarHBondContact O-N 3.04Å; L350-I354 PolarHBondContact O-N 3.32Å
351V77.6Confident82.1Confident33 Ų3328.5 Ų28.520%0.217%0.169CC..Hα-helixtrans-70.8-32-174.2-171.80000112.1F345 V348 V349 G353 I354 F355F345-V351 HydrophobicContact CD1-CB 3.74Å; F345-V351 HydrophobicContact CD1-CG1 3.5Å; F345-V351 HydrophobicContact CD1-CG2 4.45Å; F345-V351 HydrophobicContact CD2-CG1 4.25Å; F345-V351 HydrophobicContact CE1-CB 3.98Å; F345-V351 HydrophobicContact CE1-CG1 3.21Å; F345-V351 HydrophobicContact CE2-CG1 4.01Å; F345-V351 HydrophobicContact CG-CB 4.15Å; F345-V351 HydrophobicContact CG-CG1 4Å; F345-V351 HydrophobicContact CZ-CG1 3.47Å; F345-V351 VanDerWaalsContact CZ-CG1 3.47Å; V348-V351 HydrophobicContact CG1-CB 4.38Å; V348-V351 HydrophobicContact CG1-CG2 3.74Å; V349-V351 VanDerWaalsContact C-N 3.28Å; V349-V351 PolarHBondContact O-N 3.49Å; V351-G353 VanDerWaalsContact C-N 3.33Å; V351-G353 PolarHBondContact O-N 3.42Å; V351-I354 WeakPolarHBondContact O-CB 3.32Å; V351-I354 PolarHBondContact O-N 3.37Å; V351-F355 PolarHBondContact O-N 3.17Å
352R80.9Confident82Confident15 Ų1528.4 Ų28.46%0.05717%0.169CC..Hα-helixtrans-63.3-41.1173.6-53.1179.6-155178.84.5111.3T4 F5 F345 D346 L350 I354 F355 L356T4-R352 PolarHBondContact O-NH1 3.1Å; F5-R352 HydrophobicContact CD1-CB 4.03Å; F5-R352 HydrophobicContact CE1-CB 3.73Å; F345-R352 HydrophobicContact CB-CG 3.64Å; F345-R352 VanDerWaalsContact O-CZ 3.31Å; F345-R352 PolarHBondContact O-NE 2.93Å; F345-R352 PolarHBondContact O-NH2 3.47Å; D346-R352 VanDerWaalsContact CA-NH2 3.31Å; D346-R352 IonicContact OD1-CZ 3.71Å; D346-R352 IonicContact OD1-NH2 2.81Å; D346-R352 PolarHBondContact OD1-NH2 3.06Å; L350-R352 VanDerWaalsContact C-N 3.34Å; L350-R352 PolarHBondContact O-N 2.9Å; R352-I354 VanDerWaalsContact C-N 3.32Å; R352-I354 PolarHBondContact O-N 3.17Å; R352-F355 PolarHBondContact O-N 2.68Å; R352-L356 PolarHBondContact O-N 3.42Å
353G79.1Confident82.2Confident0 Ų028.4 Ų28.40%017%0.169CC..Hα-helixtrans-62.4-35.417500000113.5D9 L350 V351 L356 S357D9-G353 WeakPolarHBondContact O-CA 3.3Å; D9-G353 PolarHBondContact OD1-N 2.83Å; L350-G353 PolarHBondContact O-N 3.04Å; V351-G353 VanDerWaalsContact C-N 3.33Å; V351-G353 PolarHBondContact O-N 3.42Å; G353-L356 WeakPolarHBondContact O-CB 3.42Å; G353-L356 PolarHBondContact O-N 2.8Å; G353-S357 PolarHBondContact O-N 2.76Å; G353-S357 PolarHBondContact O-OG 3.5Å
354I80.8Confident82.3Confident69 Ų6926.2 Ų26.235%0.35416%0.158SC..Hα-helixtrans-62.7-45173.2-63.9172.8000110.2I12 L350 V351 R352 S357 V358I12-I354 HydrophobicContact CG2-CG1 3.95Å; L350-I354 PolarHBondContact O-N 3.32Å; V351-I354 WeakPolarHBondContact O-CB 3.32Å; V351-I354 PolarHBondContact O-N 3.37Å; R352-I354 VanDerWaalsContact C-N 3.32Å; R352-I354 PolarHBondContact O-N 3.17Å; I354-S357 CarbonylContact O-C 3.47Å; I354-S357 WeakPolarHBondContact O-CA 3.45Å; I354-S357 VanDerWaalsContact O-CB 3.28Å; I354-S357 WeakPolarHBondContact O-CB 3.38Å; I354-S357 PolarHBondContact O-N 2.7Å; I354-S357 VanDerWaalsContact O-N 3.15Å; I354-V358 WeakPolarHBondContact O-CG2 3.37Å; I354-V358 PolarHBondContact O-N 2.78Å
355F80.9Confident82.6Confident5 Ų525.4 Ų25.42%0.02215%0.154CC..Hα-helixtrans-68.1-37.4178.5-176.7-112.4000113.6F168 I217 L337 V341 V351 R352 S357 V358 I359F168-F355 AromaticContact CE1-CD1 3.96Å; F168-F355 HydrophobicContact CE1-CD1 3.96Å; F168-F355 HydrophobicContact CE1-CE1 4.2Å; F168-F355 HydrophobicContact CE2-CE1 4.31Å; F168-F355 AromaticContact CZ-CD1 3.46Å; F168-F355 HydrophobicContact CZ-CD1 3.46Å; F168-F355 VanDerWaalsContact CZ-CD1 3.46Å; F168-F355 AromaticContact CZ-CE1 3.47Å; F168-F355 HydrophobicContact CZ-CE1 3.47Å; F168-F355 VanDerWaalsContact CZ-CE1 3.47Å; I217-F355 HydrophobicContact CD1-CB 4.24Å; I217-F355 HydrophobicContact CD1-CD1 4.5Å; I217-F355 HydrophobicContact CD1-CD2 2.95Å; I217-F355 HydrophobicContact CD1-CE2 3.14Å; I217-F355 HydrophobicContact CD1-CG 3.67Å; I217-F355 HydrophobicContact CD1-CZ 3.99Å; I217-F355 HydrophobicContact CG1-CD2 4.41Å; L337-F355 HydrophobicContact CD1-CZ 4.15Å; L337-F355 HydrophobicContact CD2-CZ 4.19Å; L337-F355 HydrophobicContact CG-CZ 3.87Å; V341-F355 HydrophobicContact CB-CD1 3.71Å; V341-F355 HydrophobicContact CB-CE1 3.85Å; V341-F355 HydrophobicContact CB-CG 4.3Å; V341-F355 HydrophobicContact CG1-CB 3.8Å; V341-F355 HydrophobicContact CG1-CD1 3.43Å; V341-F355 VanDerWaalsContact CG1-CD1 3.43Å; V341-F355 HydrophobicContact CG1-CE1 4.12Å; V341-F355 HydrophobicContact CG1-CG 3.76Å; V341-F355 HydrophobicContact CG2-CD1 3.53Å; V341-F355 HydrophobicContact CG2-CD2 4.19Å; V341-F355 HydrophobicContact CG2-CE1 3.4Å; V341-F355 HydrophobicContact CG2-CE2 4.08Å; V341-F355 HydrophobicContact CG2-CG 3.86Å; V341-F355 HydrophobicContact CG2-CZ 3.66Å; V351-F355 PolarHBondContact O-N 3.17Å; R352-F355 PolarHBondContact O-N 2.68Å; F355-S357 PolarHBondContact O-N 2.99Å; F355-V358 HydrophobicContact CD2-CB 4.22Å; F355-V358 HydrophobicContact CD2-CG1 4.28Å; F355-V358 HydrophobicContact CE2-CG1 4.41Å; F355-V358 WeakPolarHBondContact O-CB 3.12Å; F355-V358 PolarHBondContact O-N 3.47Å; F355-I359 HydrophobicContact CD1-CD1 4.31Å; F355-I359 HydrophobicContact CE1-CD1 3.37Å; F355-I359 HydrophobicContact CE1-CG1 4.09Å; F355-I359 HydrophobicContact CE2-CD1 3.98Å; F355-I359 HydrophobicContact CE2-CG1 4.04Å; F355-I359 HydrophobicContact CZ-CD1 3.2Å; F355-I359 HydrophobicContact CZ-CG1 3.76Å; F355-I359 PolarHBondContact O-N 3.02Å; F355-I359 VanDerWaalsContact O-N 3.09Å
356L82.3Confident83Confident0 Ų025 Ų250%015%0.152CC..Hα-helixtrans-54.4-46.3170.5-169.364.3000109.9F5 F13 F168 L174 R352 G353 V358 I359 F360F5-L356 HydrophobicContact CE1-CD2 4.45Å; F5-L356 HydrophobicContact CE2-CD1 4.13Å; F5-L356 HydrophobicContact CE2-CD2 4.17Å; F5-L356 HydrophobicContact CZ-CB 4.27Å; F5-L356 HydrophobicContact CZ-CD1 3.85Å; F5-L356 HydrophobicContact CZ-CD2 4.01Å; F5-L356 HydrophobicContact CZ-CG 4.29Å; F13-L356 HydrophobicContact CB-CD2 3.87Å; F13-L356 HydrophobicContact CB-CG 4.45Å; F13-L356 HydrophobicContact CD1-CD2 4.03Å; F13-L356 HydrophobicContact CD2-CB 4.48Å; F13-L356 HydrophobicContact CD2-CD2 4.12Å; F13-L356 HydrophobicContact CD2-CG 3.93Å; F13-L356 HydrophobicContact CE2-CG 4.34Å; F13-L356 HydrophobicContact CG-CD2 3.73Å; F13-L356 HydrophobicContact CG-CG 4.08Å; F168-L356 HydrophobicContact CD1-CD1 3.63Å; F168-L356 HydrophobicContact CD2-CD1 4.35Å; F168-L356 HydrophobicContact CE1-CD1 3.72Å; F168-L356 HydrophobicContact CE2-CD1 4.39Å; F168-L356 HydrophobicContact CG-CD1 3.93Å; F168-L356 HydrophobicContact CZ-CD1 4.08Å; L174-L356 HydrophobicContact CD2-CD1 4.13Å; L174-L356 HydrophobicContact CD2-CD2 4.21Å; R352-L356 PolarHBondContact O-N 3.42Å; G353-L356 WeakPolarHBondContact O-CB 3.42Å; G353-L356 PolarHBondContact O-N 2.8Å; L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.27Å; L356-I359 PolarHBondContact O-N 3.01Å; L356-F360 HydrophobicContact CD1-CD2 3.72Å; L356-F360 HydrophobicContact CD1-CE2 3.43Å; L356-F360 VanDerWaalsContact CD1-CE2 3.43Å; L356-F360 HydrophobicContact CG-CD2 3.93Å; L356-F360 HydrophobicContact CG-CE2 4.08Å; L356-F360 WeakPolarHBondContact O-CB 3.39Å; L356-F360 VanDerWaalsContact O-CD2 3.28Å; L356-F360 WeakPolarHBondContact O-CD2 3.24Å; L356-F360 PolarHBondContact O-N 2.93Å; L356-F360 VanDerWaalsContact O-N 3.12Å
357S85.2Confident83.7Confident5 Ų520.2 Ų20.24%0.03513%0.127CC..Hα-helixtrans-61.9-35.9176.3-51.10000112.7S16 G353 I354 F355 A361S16-S357 PolarHBondContact OG-OG 3.05Å; G353-S357 PolarHBondContact O-N 2.76Å; G353-S357 PolarHBondContact O-OG 3.5Å; I354-S357 CarbonylContact O-C 3.47Å; I354-S357 WeakPolarHBondContact O-CA 3.45Å; I354-S357 VanDerWaalsContact O-CB 3.28Å; I354-S357 WeakPolarHBondContact O-CB 3.38Å; I354-S357 PolarHBondContact O-N 2.7Å; I354-S357 VanDerWaalsContact O-N 3.15Å; F355-S357 PolarHBondContact O-N 2.99Å; S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 3.07Å
358V86.2Confident84.7Confident3 Ų317.3 Ų17.32%0.01810%0.097CC..Hα-helixtrans-64.4-51.7177.9163.50000112.5V209 L210 I354 F355 L356 A361 A362V209-V358 HydrophobicContact CG1-CG2 3.84Å; V209-V358 WeakPolarHBondContact O-CG2 3.34Å; L210-V358 HydrophobicContact CB-CG1 4.33Å; L210-V358 HydrophobicContact CG-CG1 4.31Å; I354-V358 WeakPolarHBondContact O-CG2 3.37Å; I354-V358 PolarHBondContact O-N 2.78Å; F355-V358 HydrophobicContact CD2-CB 4.22Å; F355-V358 HydrophobicContact CD2-CG1 4.28Å; F355-V358 HydrophobicContact CE2-CG1 4.41Å; F355-V358 WeakPolarHBondContact O-CB 3.12Å; F355-V358 PolarHBondContact O-N 3.47Å; L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.27Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 3.4Å; V358-A362 PolarHBondContact O-N 2.85Å
359I86.6Confident85.6Confident0 Ų014.1 Ų14.10%08%0.078CC..Hα-helixtrans-68.8-40.6-178.2-72.4-173.8000110.6A82 L86 P164 F168 L337 F355 L356 A361 A362 A363A82-I359 HydrophobicContact CB-CG2 4Å; L86-I359 HydrophobicContact CD1-CD1 4.05Å; L86-I359 HydrophobicContact CD1-CG2 4.01Å; P164-I359 HydrophobicContact CB-CG2 3.5Å; P164-I359 VanDerWaalsContact CB-CG2 3.5Å; F168-I359 HydrophobicContact CD2-CG2 4.4Å; F168-I359 HydrophobicContact CE2-CB 3.68Å; F168-I359 HydrophobicContact CE2-CD1 3.36Å; F168-I359 HydrophobicContact CE2-CG1 3.96Å; F168-I359 HydrophobicContact CE2-CG2 3.78Å; F168-I359 HydrophobicContact CZ-CB 4.28Å; F168-I359 HydrophobicContact CZ-CD1 3.74Å; F168-I359 HydrophobicContact CZ-CG1 4.32Å; L337-I359 HydrophobicContact CD2-CD1 4.36Å; F355-I359 HydrophobicContact CD1-CD1 4.31Å; F355-I359 HydrophobicContact CE1-CD1 3.37Å; F355-I359 HydrophobicContact CE1-CG1 4.09Å; F355-I359 HydrophobicContact CE2-CD1 3.98Å; F355-I359 HydrophobicContact CE2-CG1 4.04Å; F355-I359 HydrophobicContact CZ-CD1 3.2Å; F355-I359 HydrophobicContact CZ-CG1 3.76Å; F355-I359 PolarHBondContact O-N 3.02Å; F355-I359 VanDerWaalsContact O-N 3.09Å; L356-I359 PolarHBondContact O-N 3.01Å; I359-A361 VanDerWaalsContact C-N 3.35Å; I359-A362 WeakPolarHBondContact O-CB 3.3Å; I359-A362 PolarHBondContact O-N 3.22Å; I359-A363 PolarHBondContact O-N 3.44Å
360F88Confident86.8Confident0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-72.1-27.8177.9-80.4-63.6000113.1F13 P164 A165 S179 T183 L356 A362 A363 L364F13-F360 HydrophobicContact CD2-CD2 4.48Å; F13-F360 HydrophobicContact CE2-CB 3.63Å; F13-F360 AromaticContact CE2-CD2 3.6Å; F13-F360 HydrophobicContact CE2-CD2 3.6Å; F13-F360 AromaticContact CE2-CG 3.82Å; F13-F360 HydrophobicContact CE2-CG 3.82Å; F13-F360 HydrophobicContact CZ-CB 4.14Å; F13-F360 AromaticContact CZ-CD2 3.73Å; F13-F360 HydrophobicContact CZ-CD2 3.73Å; F13-F360 HydrophobicContact CZ-CE2 4.34Å; F13-F360 AromaticContact CZ-CG 3.93Å; F13-F360 HydrophobicContact CZ-CG 3.93Å; P164-F360 HydrophobicContact CG-CE1 4.49Å; A165-F360 HydrophobicContact CB-CE1 4.3Å; A165-F360 HydrophobicContact CB-CZ 4.32Å; S179-F360 WeakPolarHBondContact OG-CZ 3.37Å; T183-F360 HydrophobicContact CG2-CB 3.89Å; T183-F360 HydrophobicContact CG2-CD1 3.35Å; T183-F360 HydrophobicContact CG2-CE1 4.02Å; T183-F360 HydrophobicContact CG2-CG 3.7Å; L356-F360 HydrophobicContact CD1-CD2 3.72Å; L356-F360 HydrophobicContact CD1-CE2 3.43Å; L356-F360 VanDerWaalsContact CD1-CE2 3.43Å; L356-F360 HydrophobicContact CG-CD2 3.93Å; L356-F360 HydrophobicContact CG-CE2 4.08Å; L356-F360 WeakPolarHBondContact O-CB 3.39Å; L356-F360 VanDerWaalsContact O-CD2 3.28Å; L356-F360 WeakPolarHBondContact O-CD2 3.24Å; L356-F360 PolarHBondContact O-N 2.93Å; L356-F360 VanDerWaalsContact O-N 3.12Å; F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 PolarHBondContact O-N 2.85Å; F360-A363 HydrophobicContact CD1-CB 4.45Å; F360-A363 PolarHBondContact O-N 3.32Å; F360-L364 WeakPolarHBondContact O-CB 3.31Å; F360-L364 WeakPolarHBondContact O-CD1 3.27Å; F360-L364 WeakPolarHBondContact O-CG 3.4Å; F360-L364 PolarHBondContact O-N 2.92Å
361A87.3Confident87.9Confident0 Ų06.9 Ų6.90%04%0.037CC..Hα-helixtrans-57.1-43.5167.400000111.4Q206 S357 V358 I359 A363 L364 S365Q206-A361 HydrophobicContact CB-CB 3.82Å; Q206-A361 HydrophobicContact CG-CB 3.71Å; Q206-A361 PolarHBondContact OE1-O 3.43Å; Q206-A361 VanDerWaalsContact OE1-O 3.07Å; S357-A361 WeakPolarHBondContact O-CB 3.47Å; S357-A361 PolarHBondContact O-N 3.07Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 3.4Å; I359-A361 VanDerWaalsContact C-N 3.35Å; A361-A363 PolarHBondContact O-N 3.47Å; A361-L364 PolarHBondContact O-N 3.05Å; A361-S365 PolarHBondContact O-N 3.38Å; A361-S365 VanDerWaalsContact O-N 3.07Å
362A88.5Confident88.7Confident1 Ų15.6 Ų5.61%0.0083%0.029CC..Hα-helixtrans-59.7-45.1174.500000112.3A82 I85 L210 V358 I359 F360 S365 T366A82-A362 HydrophobicContact CB-CB 4Å; I85-A362 HydrophobicContact CD1-CB 4.01Å; L210-A362 HydrophobicContact CD1-CB 3.31Å; V358-A362 PolarHBondContact O-N 2.85Å; I359-A362 WeakPolarHBondContact O-CB 3.3Å; I359-A362 PolarHBondContact O-N 3.22Å; F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 PolarHBondContact O-N 2.85Å; A362-S365 PolarHBondContact O-OG 3.06Å; A362-T366 PolarHBondContact O-N 3.42Å; A362-T366 PolarHBondContact O-OG1 3.18Å; A362-T366 VanDerWaalsContact O-OG1 3.13Å
363A91.1Very high89.4Confident0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-65-45.4177.900000111.9A82 P164 I359 F360 A361 S365 T366 V367A82-A363 HydrophobicContact CB-CB 4.16Å; P164-A363 HydrophobicContact CG-CB 3.96Å; I359-A363 PolarHBondContact O-N 3.44Å; F360-A363 HydrophobicContact CD1-CB 4.45Å; F360-A363 PolarHBondContact O-N 3.32Å; A361-A363 PolarHBondContact O-N 3.47Å; A363-S365 PolarHBondContact O-N 3.48Å; A363-T366 PolarHBondContact O-N 3.21Å; A363-T366 VanDerWaalsContact O-N 3.16Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 3.45Å
364L92.1Very high90.3Very high2 Ų25 Ų51%0.013%0.027CC..Hα-helixtrans-58.1-45.8179.7-75.2166.4000111.7L17 Y20 T183 A187 Y190 Q206 F360 A361 T366 V367 S368L17-L364 HydrophobicContact CD2-CD1 3.78Å; Y20-L364 HydrophobicContact CD2-CD1 3.52Å; Y20-L364 HydrophobicContact CE2-CD1 3.57Å; T183-L364 HydrophobicContact CG2-CD2 4.48Å; T183-L364 WeakPolarHBondContact O-CD2 3.41Å; A187-L364 HydrophobicContact CB-CD2 3.7Å; Y190-L364 HydrophobicContact CE1-CD2 4.48Å; Y190-L364 PolarHBondContact OH-O 3.26Å; Q206-L364 VanDerWaalsContact NE2-CB 3.35Å; F360-L364 WeakPolarHBondContact O-CB 3.31Å; F360-L364 WeakPolarHBondContact O-CD1 3.27Å; F360-L364 WeakPolarHBondContact O-CG 3.4Å; F360-L364 PolarHBondContact O-N 2.92Å; A361-L364 PolarHBondContact O-N 3.05Å; L364-T366 VanDerWaalsContact C-N 3.28Å; L364-T366 PolarHBondContact O-N 3.5Å; L364-V367 PolarHBondContact O-N 2.91Å; L364-S368 WeakPolarHBondContact O-CB 3.34Å; L364-S368 PolarHBondContact O-N 3.45Å; L364-S368 PolarHBondContact O-OG 3.36Å
365S92.3Very high91.1Very high2 Ų21.8 Ų1.81%0.0141%0.011CC..Hα-helixtrans-61.6-36.4177.869.50000112.6A77 D203 A361 A362 A363 S368 S369A77-S365 PolarHBondContact O-OG 3.39Å; D203-S365 VanDerWaalsContact OD1-CA 3.3Å; D203-S365 WeakPolarHBondContact OD1-CA 3.4Å; D203-S365 WeakPolarHBondContact OD1-CB 3.46Å; A361-S365 PolarHBondContact O-N 3.38Å; A361-S365 VanDerWaalsContact O-N 3.07Å; A362-S365 PolarHBondContact O-OG 3.06Å; A363-S365 PolarHBondContact O-N 3.48Å; S365-S368 WeakPolarHBondContact CA-OG 3.47Å; S365-S368 PolarHBondContact O-OG 3.19Å; S365-S368 VanDerWaalsContact O-OG 3.05Å; S365-S369 VanDerWaalsContact O-CB 3.3Å; S365-S369 WeakPolarHBondContact O-CB 3.39Å; S365-S369 PolarHBondContact O-N 3.11Å; S365-S369 PolarHBondContact O-OG 3.11Å
366T92.3Very high91.9Very high4 Ų41.6 Ų1.63%0.0251%0.01CC..Hα-helixtrans-70.6-45.5178.2-56.20000110.9S81 Y156 A160 A362 A363 L364 G370S81-T366 WeakPolarHBondContact CA-OG1 3.38Å; S81-T366 VanDerWaalsContact CB-OG1 3.29Å; S81-T366 WeakPolarHBondContact CB-OG1 3.46Å; Y156-T366 HydrophobicContact CD1-CG2 4.35Å; Y156-T366 HydrophobicContact CE1-CG2 3.42Å; Y156-T366 VanDerWaalsContact CE1-CG2 3.42Å; A160-T366 HydrophobicContact CB-CG2 3.71Å; A362-T366 PolarHBondContact O-N 3.42Å; A362-T366 PolarHBondContact O-OG1 3.18Å; A362-T366 VanDerWaalsContact O-OG1 3.13Å; A363-T366 PolarHBondContact O-N 3.21Å; A363-T366 VanDerWaalsContact O-N 3.16Å; L364-T366 VanDerWaalsContact C-N 3.28Å; L364-T366 PolarHBondContact O-N 3.5Å; T366-G370 PolarHBondContact O-N 2.71Å; T366-G370 VanDerWaalsContact O-N 3.08Å
367V94.3Very high92.6Very high1 Ų11.6 Ų1.61%0.0061%0.01CC..Hα-helixtrans-66.5-46-178.9173.20000111.2I157 L161 A187 A363 L364 S369 G370 I371 T415I157-V367 HydrophobicContact CB-CG2 4.49Å; L161-V367 HydrophobicContact CB-CG2 4.03Å; L161-V367 HydrophobicContact CD1-CG2 4.46Å; A187-V367 HydrophobicContact CB-CB 4.16Å; A187-V367 HydrophobicContact CB-CG1 3.7Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 3.45Å; L364-V367 PolarHBondContact O-N 2.91Å; V367-S369 PolarHBondContact O-N 3.2Å; V367-G370 PolarHBondContact O-N 2.82Å; V367-I371 HydrophobicContact CG1-CD1 3.63Å; V367-I371 HydrophobicContact CG1-CG1 4.28Å; V367-I371 VanDerWaalsContact O-CG1 3.31Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 2.95Å; V367-T415 HydrophobicContact CG1-CG2 4.21Å
368S94.6Very high93.2Very high0 Ų02.1 Ų2.10%01%0.014CC..Hα-helixtrans-62.2-42.7178.859.70000112.6Y190 T191 L364 S365 G370 I371 N372Y190-S368 WeakPolarHBondContact OH-CB 3.08Å; Y190-S368 PolarHBondContact OH-OG 3.02Å; Y190-S368 VanDerWaalsContact OH-OG 3.1Å; T191-S368 VanDerWaalsContact CG2-O 3.31Å; T191-S368 WeakPolarHBondContact CG2-O 3.43Å; T191-S368 VanDerWaalsContact OG1-CA 3.3Å; T191-S368 WeakPolarHBondContact OG1-CA 3.44Å; T191-S368 WeakPolarHBondContact OG1-CB 3.23Å; L364-S368 WeakPolarHBondContact O-CB 3.34Å; L364-S368 PolarHBondContact O-N 3.45Å; L364-S368 PolarHBondContact O-OG 3.36Å; S365-S368 WeakPolarHBondContact CA-OG 3.47Å; S365-S368 PolarHBondContact O-OG 3.19Å; S365-S368 VanDerWaalsContact O-OG 3.05Å; S368-G370 PolarHBondContact O-N 3.22Å; S368-I371 PolarHBondContact O-N 2.98Å; S368-N372 WeakPolarHBondContact O-CB 3.25Å; S368-N372 PolarHBondContact O-N 2.59Å
369S94Very high93.7Very high4 Ų42 Ų23%0.0281%0.013CC..Hα-helixtrans-56.4-49.8173.5-60.60000111.9S78 R280 S365 V367 N372 S373S78-S369 PolarHBondContact OG-OG 2.79Å; R280-S369 PolarHBondContact NH1-OG 2.78Å; R280-S369 PolarHBondContact NH2-OG 3.46Å; S365-S369 VanDerWaalsContact O-CB 3.3Å; S365-S369 WeakPolarHBondContact O-CB 3.39Å; S365-S369 PolarHBondContact O-N 3.11Å; S365-S369 PolarHBondContact O-OG 3.11Å; V367-S369 PolarHBondContact O-N 3.2Å; S369-N372 PolarHBondContact O-N 2.66Å; S369-S373 PolarHBondContact O-N 2.79Å; S369-S373 VanDerWaalsContact O-N 3.09Å; S369-S373 PolarHBondContact O-OG 2.9Å
370G94.9Very high94.1Very high0 Ų02.1 Ų2.10%01%0.013CC..Hα-helixtrans-66.2-45.2-179.400000112.4T366 V367 S368 N372 S373 L374T366-G370 PolarHBondContact O-N 2.71Å; T366-G370 VanDerWaalsContact O-N 3.08Å; V367-G370 PolarHBondContact O-N 2.82Å; S368-G370 PolarHBondContact O-N 3.22Å; G370-N372 VanDerWaalsContact C-N 3.32Å; G370-N372 PolarHBondContact O-N 3.38Å; G370-S373 PolarHBondContact O-N 2.95Å; G370-L374 VanDerWaalsContact O-CB 3.25Å; G370-L374 WeakPolarHBondContact O-CB 3.3Å; G370-L374 WeakPolarHBondContact O-CG 3.3Å; G370-L374 PolarHBondContact O-N 3.34Å
371I96.6Very high94.5Very high0 Ų02.1 Ų2.10%01%0.013CC..Hα-helixtrans-57.5-46.7177.1-69.5168.9000110.7I157 T191 V367 S368 S373 A375 G408I157-I371 HydrophobicContact CD1-CG1 4.27Å; T191-I371 HydrophobicContact CG2-CB 4.05Å; T191-I371 HydrophobicContact CG2-CG2 3.84Å; V367-I371 HydrophobicContact CG1-CD1 3.63Å; V367-I371 HydrophobicContact CG1-CG1 4.28Å; V367-I371 VanDerWaalsContact O-CG1 3.31Å; V367-I371 WeakPolarHBondContact O-CG1 3.33Å; V367-I371 PolarHBondContact O-N 2.95Å; S368-I371 PolarHBondContact O-N 2.98Å; I371-S373 PolarHBondContact O-N 3.41Å; I371-A375 WeakPolarHBondContact O-CB 3.38Å; I371-A375 PolarHBondContact O-N 2.83Å; I371-G408 VanDerWaalsContact CG2-O 3.24Å; I371-G408 WeakPolarHBondContact CG2-O 3.33Å
372N95.3Very high94.9Very high7 Ų74 Ų44%0.0372%0.024CC..Hα-helixtrans-62-45.3-179.5-170.9-97.2000111.9T191 Q279 S368 S369 G370 N376T191-N372 HydrophobicContact CG2-CB 3.83Å; Q279-N372 PolarHBondContact NE2-OD1 2.81Å; S368-N372 WeakPolarHBondContact O-CB 3.25Å; S368-N372 PolarHBondContact O-N 2.59Å; S369-N372 PolarHBondContact O-N 2.66Å; G370-N372 VanDerWaalsContact C-N 3.32Å; G370-N372 PolarHBondContact O-N 3.38Å; N372-N376 WeakPolarHBondContact O-CB 3.47Å; N372-N376 PolarHBondContact O-N 3.03Å
373S95.6Very high95.3Very high2 Ų26.4 Ų6.41%0.0144%0.036CC..Hα-helixtrans-74-34.8-180-63.50000113.9T276 Q279 S369 G370 I371 N376 V377T276-S373 VanDerWaalsContact CA-OG 3.25Å; T276-S373 WeakPolarHBondContact CA-OG 3.4Å; Q279-S373 PolarHBondContact OE1-OG 3.37Å; S369-S373 PolarHBondContact O-N 2.79Å; S369-S373 VanDerWaalsContact O-N 3.09Å; S369-S373 PolarHBondContact O-OG 2.9Å; G370-S373 PolarHBondContact O-N 2.95Å; I371-S373 PolarHBondContact O-N 3.41Å; S373-N376 PolarHBondContact O-N 3.31Å; S373-V377 WeakPolarHBondContact O-CB 3.48Å; S373-V377 WeakPolarHBondContact O-CG2 3.22Å; S373-V377 PolarHBondContact O-N 3.46Å
374L97.5Very high95.4Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-61.7-46172.3-74.1171.7000110.4F149 L150 M153 I154 I157 G370 N376 C378 F411F149-L374 HydrophobicContact CE1-CD2 4.41Å; L150-L374 HydrophobicContact CB-CD2 4.28Å; L150-L374 HydrophobicContact CD2-CB 4.32Å; L150-L374 HydrophobicContact CD2-CD2 3.42Å; L150-L374 VanDerWaalsContact CD2-CD2 3.42Å; L150-L374 HydrophobicContact CD2-CG 4.48Å; L150-L374 HydrophobicContact CG-CD2 4.4Å; M153-L374 HydrophobicContact CB-CD1 4.46Å; M153-L374 HydrophobicContact CB-CD2 3.63Å; M153-L374 HydrophobicContact CB-CG 4.1Å; I154-L374 HydrophobicContact CG1-CD1 3.88Å; I154-L374 HydrophobicContact CG1-CD2 4.01Å; I157-L374 HydrophobicContact CD1-CD1 3.56Å; G370-L374 VanDerWaalsContact O-CB 3.25Å; G370-L374 WeakPolarHBondContact O-CB 3.3Å; G370-L374 WeakPolarHBondContact O-CG 3.3Å; G370-L374 PolarHBondContact O-N 3.34Å; L374-N376 PolarHBondContact O-N 3.47Å; L374-C378 WeakPolarHBondContact O-CB 3.49Å; L374-C378 PolarHBondContact O-N 3.41Å; L374-F411 HydrophobicContact CB-CB 4.26Å; L374-F411 HydrophobicContact CB-CD1 4.11Å; L374-F411 HydrophobicContact CB-CD2 3.67Å; L374-F411 HydrophobicContact CB-CE1 4.4Å; L374-F411 HydrophobicContact CB-CE2 3.98Å; L374-F411 HydrophobicContact CB-CG 3.75Å; L374-F411 HydrophobicContact CB-CZ 4.34Å; L374-F411 HydrophobicContact CD1-CB 4.13Å; L374-F411 HydrophobicContact CD1-CD1 3.95Å; L374-F411 HydrophobicContact CD1-CG 4.06Å; L374-F411 WeakPolarHBondContact O-CE2 3.18Å
375A97.5Very high95.4Very high2 Ų210 Ų102%0.0175%0.051CC..Hα-helixtrans-62.2-42.9176.800000111.9F60 I371 L379 L407F60-A375 HydrophobicContact CE1-CB 3.89Å; F60-A375 HydrophobicContact CZ-CB 4.01Å; I371-A375 WeakPolarHBondContact O-CB 3.38Å; I371-A375 PolarHBondContact O-N 2.83Å; A375-L379 VanDerWaalsContact O-CB 3.29Å; A375-L379 WeakPolarHBondContact O-CB 3.41Å; A375-L379 PolarHBondContact O-N 3.45Å; A375-L407 HydrophobicContact CB-CB 3.9Å
376N96.9Very high95.5Very high1 Ų113.5 Ų13.51%0.0057%0.069CC..Hα-helixtrans-64.2-50.9177.1-175.644.9000112.2F60 N127 Q275 N372 S373 L374 C378 L379 E380F60-N376 HydrophobicContact CB-CB 4.35Å; F60-N376 HydrophobicContact CD1-CB 3.83Å; F60-N376 HydrophobicContact CD2-CB 3.93Å; F60-N376 WeakPolarHBondContact CD2-OD1 3.13Å; F60-N376 HydrophobicContact CE1-CB 4.01Å; F60-N376 HydrophobicContact CE2-CB 4.08Å; F60-N376 HydrophobicContact CG-CB 3.8Å; F60-N376 HydrophobicContact CZ-CB 4.13Å; N127-N376 PolarHBondContact O-ND2 3.43Å; Q275-N376 PolarHBondContact NE2-ND2 3.27Å; Q275-N376 VanDerWaalsContact NE2-ND2 3.1Å; N372-N376 WeakPolarHBondContact O-CB 3.47Å; N372-N376 PolarHBondContact O-N 3.03Å; S373-N376 PolarHBondContact O-N 3.31Å; L374-N376 PolarHBondContact O-N 3.47Å; N376-C378 PolarHBondContact O-N 2.83Å; N376-L379 PolarHBondContact O-N 2.69Å; N376-E380 WeakPolarHBondContact O-CB 3.25Å; N376-E380 PolarHBondContact O-N 3.31Å
377V97.8Very high95.6Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-63-44.9-179.9164.50000111.3F149 L150 Q275 S373 L379 D381F149-V377 HydrophobicContact CD1-CB 4.21Å; F149-V377 HydrophobicContact CD1-CG1 3.95Å; F149-V377 HydrophobicContact CD1-CG2 3.96Å; F149-V377 HydrophobicContact CE1-CB 4.15Å; F149-V377 HydrophobicContact CE1-CG1 4.4Å; F149-V377 HydrophobicContact CE1-CG2 3.75Å; L150-V377 HydrophobicContact CD1-CG1 4.4Å; L150-V377 HydrophobicContact CD2-CB 4.25Å; L150-V377 HydrophobicContact CD2-CG1 3.89Å; L150-V377 HydrophobicContact CG-CG1 3.95Å; Q275-V377 HydrophobicContact CB-CG2 4.16Å; Q275-V377 HydrophobicContact CG-CG2 3.63Å; S373-V377 WeakPolarHBondContact O-CB 3.48Å; S373-V377 WeakPolarHBondContact O-CG2 3.22Å; S373-V377 PolarHBondContact O-N 3.46Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.99Å; V377-D381 HydrophobicContact CG1-CB 4.43Å; V377-D381 WeakPolarHBondContact CG1-OD2 3.28Å; V377-D381 WeakPolarHBondContact O-CA 3.31Å; V377-D381 WeakPolarHBondContact O-CB 3.35Å; V377-D381 PolarHBondContact O-N 3.48Å
378C97.7Very high95.5Very high16 Ų1620.5 Ų20.511%0.10810%0.1CC..Iπ-helixtrans-61.7-42.5178.1-171.90000111.4L150 L374 N376 L382 I383 L407 F411L150-C378 HydrophobicContact CD2-CB 4.35Å; L374-C378 WeakPolarHBondContact O-CB 3.49Å; L374-C378 PolarHBondContact O-N 3.41Å; N376-C378 PolarHBondContact O-N 2.83Å; C378-L382 WeakPolarHBondContact O-CB 3.07Å; C378-L382 PolarHBondContact O-N 2.59Å; C378-I383 PolarHBondContact O-N 3.12Å; C378-L407 HydrophobicContact CB-CD1 4.16Å; C378-L407 HydrophobicContact CB-CD2 4.42Å; C378-F411 HydrophobicContact CB-CE2 3.68Å; C378-F411 HydrophobicContact CB-CZ 3.91Å
379L97.2Very high95.3Very high0 Ų025.9 Ų25.90%013%0.125CC..Iπ-helixtrans-68-55.1178.7-177.759000112.4V56 F60 A375 N376 V377 R384 K400 L403 A404 L407V56-L379 HydrophobicContact CG1-CD2 4.03Å; V56-L379 HydrophobicContact CG2-CD2 4.47Å; F60-L379 HydrophobicContact CE2-CB 4.43Å; F60-L379 HydrophobicContact CE2-CD2 3.7Å; F60-L379 HydrophobicContact CZ-CD2 4.36Å; A375-L379 VanDerWaalsContact O-CB 3.29Å; A375-L379 WeakPolarHBondContact O-CB 3.41Å; A375-L379 PolarHBondContact O-N 3.45Å; N376-L379 PolarHBondContact O-N 2.69Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 2.99Å; L379-R384 VanDerWaalsContact O-CB 3.24Å; L379-R384 WeakPolarHBondContact O-CB 3.15Å; L379-R384 PolarHBondContact O-N 2.9Å; L379-K400 HydrophobicContact CD1-CG 4.29Å; L379-K400 HydrophobicContact CD2-CG 3.8Å; L379-K400 HydrophobicContact CG-CG 4.34Å; L379-L403 HydrophobicContact CD1-CB 4.3Å; L379-L403 HydrophobicContact CD1-CD2 3.33Å; L379-L403 HydrophobicContact CD1-CG 3.83Å; L379-A404 HydrophobicContact CD2-CB 3.82Å; L379-L407 HydrophobicContact CB-CD1 3.84Å
380E95.5Very high95.2Very high2 Ų235.1 Ų35.11%0.00916%0.159CC..Iπ-helixtrans-79.5-32.5-170.2-69.6-62.5150.700112.8N127 R142 N376 R384 P385N127-E380 HydrophobicContact CB-CG 3.9Å; R142-E380 VanDerWaalsContact NH2-C 3.34Å; R142-E380 PolarHBondContact NH2-O 3.04Å; N376-E380 WeakPolarHBondContact O-CB 3.25Å; N376-E380 PolarHBondContact O-N 3.31Å; E380-R384 WeakPolarHBondContact OE2-CD 3.3Å; E380-R384 IonicContact OE2-NH1 3.83Å; E380-R384 PolarHBondContact OE2-NH1 3.09Å; E380-P385 WeakPolarHBondContact O-CD 3.29Å; E380-P385 VanDerWaalsContact O-CG 3.23Å; E380-P385 WeakPolarHBondContact O-CG 3.48Å
381D96.4Very high95.2Very high0 Ų041.3 Ų41.30%019%0.186CC..Iπ-helixtrans-96.7-29.2-176-58.5-30.8000114.2S128 H130 R142 W143 S146 V377 P385S128-D381 WeakPolarHBondContact CB-OD1 3.02Å; S128-D381 VanDerWaalsContact OG-CG 3.24Å; S128-D381 PolarHBondContact OG-OD1 3.48Å; S128-D381 VanDerWaalsContact OG-OD1 3.05Å; S128-D381 PolarHBondContact OG-OD2 3.02Å; H130-D381 WeakPolarHBondContact CB-OD2 3.43Å; H130-D381 IonicContact CE1-OD2 3.72Å; H130-D381 IonicContact CG-OD2 3.43Å; H130-D381 IonicContact ND1-OD2 3.86Å; H130-D381 PolarHBondContact ND1-OD2 2.73Å; R142-D381 IonicContact CZ-OD1 3.69Å; R142-D381 IonicContact NE-OD1 3.51Å; R142-D381 PolarHBondContact NE-OD1 3.39Å; R142-D381 IonicContact NH2-OD1 2.95Å; R142-D381 PolarHBondContact NH2-OD1 3.26Å; W143-D381 PolarHBondContact NE1-O 3.08Å; W143-D381 VanDerWaalsContact NE1-O 3.12Å; S146-D381 WeakPolarHBondContact OG-CB 3.26Å; S146-D381 PolarHBondContact OG-OD2 3.36Å; V377-D381 HydrophobicContact CG1-CB 4.43Å; V377-D381 WeakPolarHBondContact CG1-OD2 3.28Å; V377-D381 WeakPolarHBondContact O-CA 3.31Å; V377-D381 WeakPolarHBondContact O-CB 3.35Å; V377-D381 PolarHBondContact O-N 3.48Å; D381-P385 WeakPolarHBondContact O-CG 3.09Å
382L95.4Very high94.9Very high41 Ų4149 Ų4922%0.21522%0.222CC..Iπ-helixtrans-108.6-63.4-177.4-55.7-178.5000111.4L150 C378 L386L150-L382 HydrophobicContact CD1-CD1 3.46Å; L150-L382 VanDerWaalsContact CD1-CD1 3.46Å; L150-L382 HydrophobicContact CD1-CG 4.46Å; C378-L382 WeakPolarHBondContact O-CB 3.07Å; C378-L382 PolarHBondContact O-N 2.59Å; L382-L386 VanDerWaalsContact O-CB 3.28Å; L382-L386 WeakPolarHBondContact O-CB 3.26Å; L382-L386 WeakPolarHBondContact O-CD1 3.12Å; L382-L386 WeakPolarHBondContact O-CG 3.35Å; L382-L386 PolarHBondContact O-N 2.96Å; L382-L386 VanDerWaalsContact O-N 3.12Å
383I96.3Very high94.8Very high51 Ų5154.6 Ų54.626%0.26225%0.249SC..Iπ-helixtrans-70.1-48.9-168.6-58.6174000111.9C378 L386 Y387 I395 L403 L407C378-I383 PolarHBondContact O-N 3.12Å; I383-L386 PolarHBondContact O-N 3.1Å; I383-Y387 VanDerWaalsContact O-CB 3.27Å; I383-Y387 WeakPolarHBondContact O-CB 3.45Å; I383-Y387 PolarHBondContact O-N 2.95Å; I383-I395 HydrophobicContact CG2-CD1 4.29Å; I383-L403 HydrophobicContact CB-CD2 4.22Å; I383-L403 HydrophobicContact CD1-CD1 4.09Å; I383-L403 HydrophobicContact CD1-CD2 3.84Å; I383-L403 HydrophobicContact CD1-CG 4.2Å; I383-L403 HydrophobicContact CG2-CD2 3.56Å; I383-L407 HydrophobicContact CD1-CD1 3.94Å; I383-L407 HydrophobicContact CD1-CD2 4.14Å; I383-L407 HydrophobicContact CD1-CG 4.47Å
384R94.5Very high94.6Very high61 Ų6158 Ų5823%0.2327%0.267CS..Hα-helixtrans-62.9-47.5-178.6176.3178.4176.7-111.2-7.1112.2L379 E380 L386 Y387 I388 D394 I395L379-R384 VanDerWaalsContact O-CB 3.24Å; L379-R384 WeakPolarHBondContact O-CB 3.15Å; L379-R384 PolarHBondContact O-N 2.9Å; E380-R384 WeakPolarHBondContact OE2-CD 3.3Å; E380-R384 IonicContact OE2-NH1 3.83Å; E380-R384 PolarHBondContact OE2-NH1 3.09Å; R384-L386 PolarHBondContact O-N 3.43Å; R384-Y387 PolarHBondContact O-N 3.32Å; R384-I388 HydrophobicContact CG-CD1 3.85Å; R384-I388 HydrophobicContact CG-CG1 4.5Å; R384-I388 WeakPolarHBondContact O-CG1 3.44Å; R384-I388 PolarHBondContact O-N 3.23Å; R384-D394 IonicContact CZ-OD1 2.75Å; R384-D394 IonicContact CZ-OD2 2.83Å; R384-D394 IonicContact NE-OD1 3.98Å; R384-D394 PolarHBondContact NE-OD1 2.75Å; R384-D394 IonicContact NE-OD2 3.6Å; R384-D394 PolarHBondContact NE-OD2 3.46Å; R384-D394 VanDerWaalsContact NE-OD2 3.12Å; R384-D394 IonicContact NH2-OD1 3.12Å; R384-D394 IonicContact NH2-OD2 2.75Å; R384-D394 PolarHBondContact NH2-OD2 3.22Å; R384-I395 HydrophobicContact CB-CD1 4.13Å
385P92.1Very high94.4Very high16 Ų1658.3 Ų58.310%0.10427%0.269CS..Hα-helixtrans-63.1-39.8177.1-27.939.6000113.2W143 E380 D381 H389W143-P385 HydrophobicContact CZ2-CB 4.37Å; E380-P385 WeakPolarHBondContact O-CD 3.29Å; E380-P385 VanDerWaalsContact O-CG 3.23Å; E380-P385 WeakPolarHBondContact O-CG 3.48Å; D381-P385 WeakPolarHBondContact O-CG 3.09Å; P385-H389 WeakPolarHBondContact O-CB 3.17Å; P385-H389 PolarHBondContact O-N 3.05Å
386L93Very high94.2Very high75 Ų7561.5 Ų61.539%0.39329%0.291SS..Hα-helixtrans-64.9-42.1174.9-72.3170.8000111.6W143 L382 I383 R384 H389 W390W143-L386 HydrophobicContact CH2-CD2 4.05Å; W143-L386 HydrophobicContact CZ2-CD2 4.18Å; L382-L386 VanDerWaalsContact O-CB 3.28Å; L382-L386 WeakPolarHBondContact O-CB 3.26Å; L382-L386 WeakPolarHBondContact O-CD1 3.12Å; L382-L386 WeakPolarHBondContact O-CG 3.35Å; L382-L386 PolarHBondContact O-N 2.96Å; L382-L386 VanDerWaalsContact O-N 3.12Å; I383-L386 PolarHBondContact O-N 3.1Å; R384-L386 PolarHBondContact O-N 3.43Å; L386-H389 PolarHBondContact O-N 3.43Å; L386-W390 WeakPolarHBondContact O-CB 3.16Å; L386-W390 PolarHBondContact O-N 2.99Å
387Y93.9Very high93.9Very high91 Ų9165.9 Ų65.936%0.35731%0.311SS..Hα-helixtrans-62.2-47.2177-173.4-88000111.7I383 R384 H389 W390 K391 M393 I395I383-Y387 VanDerWaalsContact O-CB 3.27Å; I383-Y387 WeakPolarHBondContact O-CB 3.45Å; I383-Y387 PolarHBondContact O-N 2.95Å; R384-Y387 PolarHBondContact O-N 3.32Å; Y387-H389 VanDerWaalsContact C-N 3.28Å; Y387-H389 PolarHBondContact O-N 2.92Å; Y387-W390 PolarHBondContact O-N 2.97Å; Y387-K391 HydrophobicContact CD1-CB 4.29Å; Y387-K391 HydrophobicContact CD2-CG 4.28Å; Y387-K391 HydrophobicContact CE1-CB 3.97Å; Y387-K391 HydrophobicContact CE1-CG 4.27Å; Y387-K391 HydrophobicContact CE2-CG 3.93Å; Y387-K391 WeakPolarHBondContact O-CB 3.13Å; Y387-K391 PolarHBondContact O-N 2.88Å; Y387-M393 VanDerWaalsContact CD1-O 3.26Å; Y387-M393 WeakPolarHBondContact CD1-O 3.32Å; Y387-M393 WeakPolarHBondContact CE1-O 3.18Å; Y387-I395 HydrophobicContact CD1-CB 4.44Å; Y387-I395 HydrophobicContact CD1-CD1 4.34Å; Y387-I395 HydrophobicContact CD1-CG1 3.37Å; Y387-I395 HydrophobicContact CD2-CG1 4.15Å; Y387-I395 HydrophobicContact CE1-CG1 3.86Å; Y387-I395 HydrophobicContact CG-CD1 4.04Å; Y387-I395 HydrophobicContact CG-CG1 3.53Å
388I93.4Very high93.5Very high62 Ų6276 Ų7632%0.31835%0.349SS..Hα-helixtrans-60.6-40.7175.8-68.4167000110.4R384 W390 H392R384-I388 HydrophobicContact CG-CD1 3.85Å; R384-I388 HydrophobicContact CG-CG1 4.5Å; R384-I388 WeakPolarHBondContact O-CG1 3.44Å; R384-I388 PolarHBondContact O-N 3.23Å; I388-W390 VanDerWaalsContact C-N 3.35Å; I388-W390 PolarHBondContact O-N 3.42Å; I388-H392 WeakPolarHBondContact O-CA 3.26Å; I388-H392 PolarHBondContact O-N 2.93Å
389H90.5Very high93.3Very high113 Ų11378.1 Ų78.152%0.52336%0.362SS..Hα-helixtrans-64.2-38.5178.5-175.657.2000112.7P385 L386 Y387P385-H389 WeakPolarHBondContact O-CB 3.17Å; P385-H389 PolarHBondContact O-N 3.05Å; L386-H389 PolarHBondContact O-N 3.43Å; Y387-H389 VanDerWaalsContact C-N 3.28Å; Y387-H389 PolarHBondContact O-N 2.92Å
390W92.6Very high93.1Very high198 Ų19878.8 Ų78.875%0.7537%0.365SS*.Hα-helixtrans-88.7-31.9-175.4-75.440.8000114L386 Y387 I388L386-W390 WeakPolarHBondContact O-CB 3.16Å; L386-W390 PolarHBondContact O-N 2.99Å; Y387-W390 PolarHBondContact O-N 2.97Å; I388-W390 VanDerWaalsContact C-N 3.35Å; I388-W390 PolarHBondContact O-N 3.42Å
391K93Very high93Very high129 Ų12980 Ų8056%0.56137%0.369SS*.Hα-helixtrans-109.7-5.5-175-65.8-64.9-175.3-176.70113.5Y387 M393Y387-K391 HydrophobicContact CD1-CB 4.29Å; Y387-K391 HydrophobicContact CD2-CG 4.28Å; Y387-K391 HydrophobicContact CE1-CB 3.97Å; Y387-K391 HydrophobicContact CE1-CG 4.27Å; Y387-K391 HydrophobicContact CE2-CG 3.93Å; Y387-K391 WeakPolarHBondContact O-CB 3.13Å; Y387-K391 PolarHBondContact O-N 2.88Å; K391-M393 PolarHBondContact O-N 3.43Å
392H91Very high92.9Very high162 Ų16287.9 Ų87.975%0.7540%0.399SS*.SBendtrans53.522.3-177.5-58.3-71.7000114.4I388I388-H392 WeakPolarHBondContact O-CA 3.26Å; I388-H392 PolarHBondContact O-N 2.93Å
393M93.2Very high92.9Very high125 Ų12587.6 Ų87.662%0.61640%0.398SS*.SBendtrans-143.3154.3179-65.9-166.1-60.700109.9Y387 K391Y387-M393 VanDerWaalsContact CD1-O 3.26Å; Y387-M393 WeakPolarHBondContact CD1-O 3.32Å; Y387-M393 WeakPolarHBondContact CE1-O 3.18Å; K391-M393 PolarHBondContact O-N 3.43Å
394D91.7Very high92.9Very high72 Ų7285.3 Ų85.339%0.38539%0.386SS..PPolyproline II helixtrans-78.5156174.8-154.6-12.5000111.4R384 S396 K400R384-D394 IonicContact CZ-OD1 2.75Å; R384-D394 IonicContact CZ-OD2 2.83Å; R384-D394 IonicContact NE-OD1 3.98Å; R384-D394 PolarHBondContact NE-OD1 2.75Å; R384-D394 IonicContact NE-OD2 3.6Å; R384-D394 PolarHBondContact NE-OD2 3.46Å; R384-D394 VanDerWaalsContact NE-OD2 3.12Å; R384-D394 IonicContact NH2-OD1 3.12Å; R384-D394 IonicContact NH2-OD2 2.75Å; R384-D394 PolarHBondContact NH2-OD2 3.22Å; D394-S396 PolarHBondContact O-N 3.3Å; D394-K400 IonicContact OD1-NZ 2.81Å; D394-K400 IonicContact OD2-NZ 2.67Å
395I92.9Very high92.9Very high8 Ų883.9 Ų83.94%0.04138%0.383CS..PPolyproline II helixtrans-71.1128.2178.3-56.1172.7000108.6I383 R384 Y387 E397 V399 K400I383-I395 HydrophobicContact CG2-CD1 4.29Å; R384-I395 HydrophobicContact CB-CD1 4.13Å; Y387-I395 HydrophobicContact CD1-CB 4.44Å; Y387-I395 HydrophobicContact CD1-CD1 4.34Å; Y387-I395 HydrophobicContact CD1-CG1 3.37Å; Y387-I395 HydrophobicContact CD2-CG1 4.15Å; Y387-I395 HydrophobicContact CE1-CG1 3.86Å; Y387-I395 HydrophobicContact CG-CD1 4.04Å; Y387-I395 HydrophobicContact CG-CG1 3.53Å; I395-E397 PolarHBondContact O-N 2.79Å; I395-V399 HydrophobicContact CG2-CB 3.79Å; I395-V399 HydrophobicContact CG2-CG1 3.7Å; I395-K400 HydrophobicContact CB-CB 4.42Å; I395-K400 HydrophobicContact CG2-CB 3.97Å; I395-K400 WeakPolarHBondContact O-CE 3.07Å
396S92.9Very high93.1Very high68 Ų6888.9 Ų88.948%0.47640%0.403SS..PPolyproline II helixtrans-54.8141.4174.171.60000112D394 R398 V399 K400D394-S396 PolarHBondContact O-N 3.3Å; S396-R398 PolarHBondContact O-N 3.39Å; S396-R398 VanDerWaalsContact O-N 3.1Å; S396-V399 PolarHBondContact O-N 2.89Å; S396-V399 VanDerWaalsContact OG-CG2 3.25Å; S396-V399 WeakPolarHBondContact OG-CG2 3.33Å; S396-K400 PolarHBondContact O-N 3.11Å
397E90.3Very high93.4Very high94 Ų9485.5 Ų85.544%0.43939%0.385SS..Hα-helixtrans-54.4-36.8-175.4-75.9-59.4118.600113.7I395 K400 Y401I395-E397 PolarHBondContact O-N 2.79Å; E397-K400 IonicContact OE1-NZ 3.89Å; E397-K400 PolarHBondContact OE1-NZ 3.21Å; E397-Y401 VanDerWaalsContact O-CB 3.29Å; E397-Y401 WeakPolarHBondContact O-CB 3.49Å; E397-Y401 PolarHBondContact O-N 2.66Å
398R90.7Very high93.5Very high211 Ų21181.3 Ų81.380%0.79637%0.37SS*.Hα-helixtrans-66-39.6176.9-65.4-177.4-170.6163.23.5112.6S396 R402S396-R398 PolarHBondContact O-N 3.39Å; S396-R398 VanDerWaalsContact O-N 3.1Å; R398-R402 WeakPolarHBondContact O-CG 3.29Å; R398-R402 PolarHBondContact O-N 3.28Å
399V93.4Very high93.7Very high61 Ų6181.6 Ų81.637%0.3737%0.372SS..Hα-helixtrans-73.7-43.6178.3174.80000109.8I395 S396 Y401 R402 L403I395-V399 HydrophobicContact CG2-CB 3.79Å; I395-V399 HydrophobicContact CG2-CG1 3.7Å; S396-V399 PolarHBondContact O-N 2.89Å; S396-V399 VanDerWaalsContact OG-CG2 3.25Å; S396-V399 WeakPolarHBondContact OG-CG2 3.33Å; V399-Y401 VanDerWaalsContact C-N 3.3Å; V399-Y401 PolarHBondContact O-N 3.45Å; V399-R402 PolarHBondContact O-N 2.89Å; V399-R402 VanDerWaalsContact O-N 3.17Å; V399-L403 WeakPolarHBondContact O-CB 3.34Å; V399-L403 PolarHBondContact O-N 3.21Å
400K93.7Very high94Very high14 Ų1479.6 Ų79.66%0.06136%0.364CS..Hα-helixtrans-56.3-45.6176.6-162.5-173.8-66.41670111V56 L379 D394 I395 S396 E397 L403 A404V56-K400 HydrophobicContact CB-CD 4.22Å; V56-K400 HydrophobicContact CB-CG 4.41Å; V56-K400 HydrophobicContact CG1-CD 4.24Å; V56-K400 HydrophobicContact CG1-CG 4.42Å; V56-K400 VanDerWaalsContact CG2-C 3.47Å; V56-K400 HydrophobicContact CG2-CB 3.83Å; V56-K400 HydrophobicContact CG2-CD 3.83Å; V56-K400 HydrophobicContact CG2-CG 3.56Å; L379-K400 HydrophobicContact CD1-CG 4.29Å; L379-K400 HydrophobicContact CD2-CG 3.8Å; L379-K400 HydrophobicContact CG-CG 4.34Å; D394-K400 IonicContact OD1-NZ 2.81Å; D394-K400 IonicContact OD2-NZ 2.67Å; I395-K400 HydrophobicContact CB-CB 4.42Å; I395-K400 HydrophobicContact CG2-CB 3.97Å; I395-K400 WeakPolarHBondContact O-CE 3.07Å; S396-K400 PolarHBondContact O-N 3.11Å; E397-K400 IonicContact OE1-NZ 3.89Å; E397-K400 PolarHBondContact OE1-NZ 3.21Å; K400-L403 PolarHBondContact O-N 3.39Å; K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 3.44Å
401Y92.5Very high94.3Very high29 Ų2970.9 Ų70.911%0.11433%0.332CS..Hα-helixtrans-62.9-45.8175.2172.3-103.1000113.4R28 M54 L59 E397 V399 L403 A404 L405R28-Y401 PolarHBondContact NH1-OH 3.02Å; R28-Y401 PolarHBondContact NH2-OH 3.1Å; M54-Y401 HydrophobicContact CB-CE2 4.41Å; M54-Y401 HydrophobicContact CE-CE2 3.97Å; L59-Y401 HydrophobicContact CD2-CD2 4.47Å; L59-Y401 HydrophobicContact CD2-CE2 4.33Å; E397-Y401 VanDerWaalsContact O-CB 3.29Å; E397-Y401 WeakPolarHBondContact O-CB 3.49Å; E397-Y401 PolarHBondContact O-N 2.66Å; V399-Y401 VanDerWaalsContact C-N 3.3Å; V399-Y401 PolarHBondContact O-N 3.45Å; Y401-L403 VanDerWaalsContact C-N 3.3Å; Y401-L403 PolarHBondContact O-N 3.49Å; Y401-A404 WeakPolarHBondContact O-CB 3.36Å; Y401-A404 PolarHBondContact O-N 3.41Å; Y401-L405 PolarHBondContact O-N 2.96Å; Y401-L405 VanDerWaalsContact O-N 3.07Å
402R94.6Very high94.5Very high164 Ų16464.7 Ų64.762%0.61931%0.305SS*.Hα-helixtrans-63.1-38.7177.2-77.2-170.2-70.8171.6-1.8112.1R398 V399 L405 F406R398-R402 WeakPolarHBondContact O-CG 3.29Å; R398-R402 PolarHBondContact O-N 3.28Å; V399-R402 PolarHBondContact O-N 2.89Å; V399-R402 VanDerWaalsContact O-N 3.17Å; R402-L405 PolarHBondContact O-N 3.27Å; R402-F406 PolarHBondContact O-N 2.92Å
403L96Very high94.7Very high36 Ų3660.2 Ų60.219%0.18829%0.289CS..Hα-helixtrans-66.5-42176.7-177.160.1000111.3L379 I383 V399 K400 Y401 L405 F406 L407L379-L403 HydrophobicContact CD1-CB 4.3Å; L379-L403 HydrophobicContact CD1-CD2 3.33Å; L379-L403 HydrophobicContact CD1-CG 3.83Å; I383-L403 HydrophobicContact CB-CD2 4.22Å; I383-L403 HydrophobicContact CD1-CD1 4.09Å; I383-L403 HydrophobicContact CD1-CD2 3.84Å; I383-L403 HydrophobicContact CD1-CG 4.2Å; I383-L403 HydrophobicContact CG2-CD2 3.56Å; V399-L403 WeakPolarHBondContact O-CB 3.34Å; V399-L403 PolarHBondContact O-N 3.21Å; K400-L403 PolarHBondContact O-N 3.39Å; Y401-L403 VanDerWaalsContact C-N 3.3Å; Y401-L403 PolarHBondContact O-N 3.49Å; L403-L405 VanDerWaalsContact C-N 3.32Å; L403-L405 PolarHBondContact O-N 2.85Å; L403-F406 HydrophobicContact CD1-CD1 4.27Å; L403-F406 PolarHBondContact O-N 3.17Å; L403-L407 HydrophobicContact CD1-CG 4.37Å; L403-L407 HydrophobicContact CG-CD1 4.24Å; L403-L407 HydrophobicContact CG-CG 4.47Å; L403-L407 WeakPolarHBondContact O-CB 3.47Å; L403-L407 VanDerWaalsContact O-CG 3.3Å; L403-L407 WeakPolarHBondContact O-CG 3.23Å; L403-L407 PolarHBondContact O-N 3.24Å
404A95.5Very high94.9Very high2 Ų257.5 Ų57.52%0.01728%0.277CS..Hα-helixtrans-58.6-42.9174.600000112.4L59 F60 L379 K400 Y401 L407 G408L59-A404 HydrophobicContact CD2-CB 3.39Å; F60-A404 HydrophobicContact CE1-CB 4.45Å; F60-A404 HydrophobicContact CE2-CB 3.87Å; F60-A404 HydrophobicContact CZ-CB 3.56Å; L379-A404 HydrophobicContact CD2-CB 3.82Å; K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 3.44Å; Y401-A404 WeakPolarHBondContact O-CB 3.36Å; Y401-A404 PolarHBondContact O-N 3.41Å; A404-L407 PolarHBondContact O-N 2.84Å; A404-G408 PolarHBondContact O-N 3.49Å
405L94.5Very high95.1Very high32 Ų3254.1 Ų54.117%0.16826%0.259CS..Hα-helixtrans-63-46.4175.2-175.668.9000111.6A192 F193 Y401 R402 L403 L407 G408 I409A192-L405 HydrophobicContact CB-CD1 4.08Å; A192-L405 WeakPolarHBondContact O-CD1 3.42Å; F193-L405 HydrophobicContact CD1-CD1 3.85Å; F193-L405 HydrophobicContact CE1-CD1 3.94Å; F193-L405 HydrophobicContact CE1-CD2 4.16Å; F193-L405 HydrophobicContact CG-CD1 4.34Å; F193-L405 HydrophobicContact CZ-CD1 4.48Å; Y401-L405 PolarHBondContact O-N 2.96Å; Y401-L405 VanDerWaalsContact O-N 3.07Å; R402-L405 PolarHBondContact O-N 3.27Å; L403-L405 VanDerWaalsContact C-N 3.32Å; L403-L405 PolarHBondContact O-N 2.85Å; L405-L407 PolarHBondContact O-N 2.88Å; L405-G408 PolarHBondContact O-N 2.93Å; L405-I409 HydrophobicContact CG-CD1 4.37Å; L405-I409 WeakPolarHBondContact O-CG1 3.42Å; L405-I409 PolarHBondContact O-N 2.9Å; L405-I409 VanDerWaalsContact O-N 3.11Å
406F97Very high95.3Very high120 Ų12054.3 Ų54.353%0.52626%0.26SS..Hα-helixtrans-59.2-45.8176.7171-100.7000111.8R402 L403 G408 I409 L410R402-F406 PolarHBondContact O-N 2.92Å; L403-F406 HydrophobicContact CD1-CD1 4.27Å; L403-F406 PolarHBondContact O-N 3.17Å; F406-G408 VanDerWaalsContact C-N 3.35Å; F406-G408 PolarHBondContact O-N 2.71Å; F406-I409 PolarHBondContact O-N 2.92Å; F406-L410 HydrophobicContact CE1-CD2 4.05Å; F406-L410 HydrophobicContact CZ-CD2 4.41Å; F406-L410 WeakPolarHBondContact O-CB 3.25Å; F406-L410 PolarHBondContact O-N 3.48Å
407L97.5Very high95.5Very high4 Ų454.3 Ų54.32%0.02126%0.26CS..Hα-helixtrans-63-39.8178-71.8172.8000112.2A375 C378 L379 I383 L403 A404 L405 I409 L410 F411A375-L407 HydrophobicContact CB-CB 3.9Å; C378-L407 HydrophobicContact CB-CD1 4.16Å; C378-L407 HydrophobicContact CB-CD2 4.42Å; L379-L407 HydrophobicContact CB-CD1 3.84Å; I383-L407 HydrophobicContact CD1-CD1 3.94Å; I383-L407 HydrophobicContact CD1-CD2 4.14Å; I383-L407 HydrophobicContact CD1-CG 4.47Å; L403-L407 HydrophobicContact CD1-CG 4.37Å; L403-L407 HydrophobicContact CG-CD1 4.24Å; L403-L407 HydrophobicContact CG-CG 4.47Å; L403-L407 WeakPolarHBondContact O-CB 3.47Å; L403-L407 VanDerWaalsContact O-CG 3.3Å; L403-L407 WeakPolarHBondContact O-CG 3.23Å; L403-L407 PolarHBondContact O-N 3.24Å; A404-L407 PolarHBondContact O-N 2.84Å; L405-L407 PolarHBondContact O-N 2.88Å; L407-I409 VanDerWaalsContact C-N 3.32Å; L407-I409 PolarHBondContact O-N 3.08Å; L407-L410 HydrophobicContact CD2-CD2 4.27Å; L407-L410 PolarHBondContact O-N 3.25Å; L407-F411 HydrophobicContact CB-CD2 4.41Å; L407-F411 HydrophobicContact CB-CE2 4.42Å; L407-F411 HydrophobicContact CD2-CE2 4.2Å; L407-F411 WeakPolarHBondContact O-CD2 2.97Å; L407-F411 PolarHBondContact O-N 2.92Å
408G96.5Very high95.7Very high4 Ų451.5 Ų51.54%0.04125%0.248CC..Hα-helixtrans-59-44.2173.900000112.1I371 A404 L405 F406 G412I371-G408 VanDerWaalsContact CG2-O 3.24Å; I371-G408 WeakPolarHBondContact CG2-O 3.33Å; A404-G408 PolarHBondContact O-N 3.49Å; L405-G408 PolarHBondContact O-N 2.93Å; F406-G408 VanDerWaalsContact C-N 3.35Å; F406-G408 PolarHBondContact O-N 2.71Å; G408-G412 PolarHBondContact O-N 3.46Å; G408-G412 VanDerWaalsContact O-N 3.08Å
409I97.3Very high95.8Very high67 Ų6741.5 Ų41.534%0.34421%0.21SC..Hα-helixtrans-66.6-45.1176.2-64168.6000110.7A192 L405 F406 L407 G412 T413A192-I409 HydrophobicContact CB-CG1 4.02Å; L405-I409 HydrophobicContact CG-CD1 4.37Å; L405-I409 WeakPolarHBondContact O-CG1 3.42Å; L405-I409 PolarHBondContact O-N 2.9Å; L405-I409 VanDerWaalsContact O-N 3.11Å; F406-I409 PolarHBondContact O-N 2.92Å; L407-I409 VanDerWaalsContact C-N 3.32Å; L407-I409 PolarHBondContact O-N 3.08Å; I409-G412 PolarHBondContact O-N 3.24Å; I409-T413 HydrophobicContact CG2-CG2 4.38Å; I409-T413 WeakPolarHBondContact O-CG2 3.44Å; I409-T413 PolarHBondContact O-N 2.87Å; I409-T413 PolarHBondContact O-OG1 3.44Å
410L97.8Very high95.8Very high71 Ų7141.6 Ų41.637%0.37221%0.206SC..Hα-helixtrans-60.1-48.6-179.9177.366.6000112.3F406 L407 G412 T413 L414F406-L410 HydrophobicContact CE1-CD2 4.05Å; F406-L410 HydrophobicContact CZ-CD2 4.41Å; F406-L410 WeakPolarHBondContact O-CB 3.25Å; F406-L410 PolarHBondContact O-N 3.48Å; L407-L410 HydrophobicContact CD2-CD2 4.27Å; L407-L410 PolarHBondContact O-N 3.25Å; L410-G412 VanDerWaalsContact C-N 3.3Å; L410-G412 PolarHBondContact O-N 3.12Å; L410-T413 PolarHBondContact O-N 2.95Å; L410-T413 PolarHBondContact O-OG1 3.49Å; L410-L414 VanDerWaalsContact O-CB 3.26Å; L410-L414 WeakPolarHBondContact O-CB 3.26Å; L410-L414 PolarHBondContact O-N 3.21Å
411F97.6Very high95.7Very high15 Ų1545.4 Ų45.47%0.06623%0.226CC..Hα-helixtrans-70.1-30.6178.4-74.3-60.7000111.9L150 I154 L374 C378 L407 L414 T415L150-F411 HydrophobicContact CD2-CZ 4.26Å; I154-F411 HydrophobicContact CD1-CD1 4.3Å; I154-F411 HydrophobicContact CD1-CE1 3.91Å; I154-F411 HydrophobicContact CG1-CD1 4.22Å; I154-F411 HydrophobicContact CG1-CE1 4.28Å; L374-F411 HydrophobicContact CB-CB 4.26Å; L374-F411 HydrophobicContact CB-CD1 4.11Å; L374-F411 HydrophobicContact CB-CD2 3.67Å; L374-F411 HydrophobicContact CB-CE1 4.4Å; L374-F411 HydrophobicContact CB-CE2 3.98Å; L374-F411 HydrophobicContact CB-CG 3.75Å; L374-F411 HydrophobicContact CB-CZ 4.34Å; L374-F411 HydrophobicContact CD1-CB 4.13Å; L374-F411 HydrophobicContact CD1-CD1 3.95Å; L374-F411 HydrophobicContact CD1-CG 4.06Å; L374-F411 WeakPolarHBondContact O-CE2 3.18Å; C378-F411 HydrophobicContact CB-CE2 3.68Å; C378-F411 HydrophobicContact CB-CZ 3.91Å; L407-F411 HydrophobicContact CB-CD2 4.41Å; L407-F411 HydrophobicContact CB-CE2 4.42Å; L407-F411 HydrophobicContact CD2-CE2 4.2Å; L407-F411 WeakPolarHBondContact O-CD2 2.97Å; L407-F411 PolarHBondContact O-N 2.92Å; F411-L414 HydrophobicContact CD1-CD2 4.24Å; F411-T415 WeakPolarHBondContact O-CB 3.41Å; F411-T415 PolarHBondContact O-N 2.92Å; F411-T415 PolarHBondContact O-OG1 2.86Å
412G97Very high95.5Very high0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-64-48.5171.600000113.3T188 G408 I409 L410 T415 V416T188-G412 WeakPolarHBondContact OG1-CA 3.47Å; G408-G412 PolarHBondContact O-N 3.46Å; G408-G412 VanDerWaalsContact O-N 3.08Å; I409-G412 PolarHBondContact O-N 3.24Å; L410-G412 VanDerWaalsContact C-N 3.3Å; L410-G412 PolarHBondContact O-N 3.12Å; G412-T415 WeakPolarHBondContact O-CB 3.43Å; G412-T415 PolarHBondContact O-N 3.42Å; G412-V416 PolarHBondContact O-N 3.35Å; G412-V416 VanDerWaalsContact O-N 3.11Å
413T96.9Very high95.1Very high67 Ų6740.1 Ų40.141%0.41121%0.212SC..Hα-helixtrans-64.6-43.1176.155.20000111.5I409 L410 T415 V416 S417I409-T413 HydrophobicContact CG2-CG2 4.38Å; I409-T413 WeakPolarHBondContact O-CG2 3.44Å; I409-T413 PolarHBondContact O-N 2.87Å; I409-T413 PolarHBondContact O-OG1 3.44Å; L410-T413 PolarHBondContact O-N 2.95Å; L410-T413 PolarHBondContact O-OG1 3.49Å; T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 3.06Å; T413-V416 PolarHBondContact O-N 2.97Å; T413-S417 PolarHBondContact O-N 3.22Å; T413-S417 PolarHBondContact O-OG 3.36Å; T413-S417 VanDerWaalsContact O-OG 3.12Å
414L97.2Very high94.6Very high69 Ų6945.5 Ų45.536%0.36124%0.24SC..Hα-helixtrans-58.8-40.9175.3-178.162.1000112I154 L410 F411 S417 L418I154-L414 HydrophobicContact CD1-CD2 4.02Å; I154-L414 HydrophobicContact CG1-CD2 4.28Å; I154-L414 HydrophobicContact CG2-CD2 3.98Å; I154-L414 HydrophobicContact CG2-CG 4.28Å; L410-L414 VanDerWaalsContact O-CB 3.26Å; L410-L414 WeakPolarHBondContact O-CB 3.26Å; L410-L414 PolarHBondContact O-N 3.21Å; F411-L414 HydrophobicContact CD1-CD2 4.24Å; L414-S417 PolarHBondContact O-N 2.93Å; L414-L418 VanDerWaalsContact O-CB 3.32Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 PolarHBondContact O-N 3.49Å
415T96.4Very high93.5Very high1 Ų148.3 Ų48.31%0.00626%0.26CS..Hα-helixtrans-60.8-46.3176.4-61.50000111.5I157 A158 L161 V367 F411 G412 T413 L418 A419I157-T415 HydrophobicContact CB-CG2 4.34Å; I157-T415 HydrophobicContact CD1-CG2 4.2Å; I157-T415 WeakPolarHBondContact CD1-OG1 3.35Å; I157-T415 HydrophobicContact CG1-CG2 3.74Å; I157-T415 WeakPolarHBondContact CG1-OG1 3.42Å; A158-T415 HydrophobicContact CB-CG2 4.43Å; L161-T415 HydrophobicContact CD2-CG2 4.07Å; V367-T415 HydrophobicContact CG1-CG2 4.21Å; F411-T415 WeakPolarHBondContact O-CB 3.41Å; F411-T415 PolarHBondContact O-N 2.92Å; F411-T415 PolarHBondContact O-OG1 2.86Å; G412-T415 WeakPolarHBondContact O-CB 3.43Å; G412-T415 PolarHBondContact O-N 3.42Å; T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 3.06Å; T415-L418 PolarHBondContact O-N 3.38Å; T415-A419 WeakPolarHBondContact O-CB 3.5Å; T415-A419 PolarHBondContact O-N 3.33Å
416V96.4Very high91.6Very high12 Ų1251.6 Ų51.67%0.07329%0.286CS..Hα-helixtrans-62.7-47.5177.3170.70000111L161 I180 L181 G412 T413 L418 A419 F420L161-V416 HydrophobicContact CD2-CG2 4.22Å; I180-V416 HydrophobicContact CG2-CG1 4.27Å; L181-V416 HydrophobicContact CD2-CG1 3.77Å; G412-V416 PolarHBondContact O-N 3.35Å; G412-V416 VanDerWaalsContact O-N 3.11Å; T413-V416 PolarHBondContact O-N 2.97Å; V416-L418 PolarHBondContact O-N 3.45Å; V416-A419 PolarHBondContact O-N 3.22Å; V416-F420 HydrophobicContact CG1-CD2 4.05Å; V416-F420 HydrophobicContact CG1-CE2 3.9Å; V416-F420 VanDerWaalsContact O-CD2 3.29Å; V416-F420 WeakPolarHBondContact O-CD2 3.3Å; V416-F420 PolarHBondContact O-N 3.34Å
417S96.2Very high89.6Confident67 Ų6748.2 Ų48.247%0.46928%0.277SS..Hα-helixtrans-59.8-44.9178.1-61.80000111.9T413 L414 F420 I421T413-S417 PolarHBondContact O-N 3.22Å; T413-S417 PolarHBondContact O-OG 3.36Å; T413-S417 VanDerWaalsContact O-OG 3.12Å; L414-S417 PolarHBondContact O-N 2.93Å; S417-F420 WeakPolarHBondContact O-CB 3.49Å; S417-F420 PolarHBondContact O-N 2.86Å; S417-I421 WeakPolarHBondContact O-CG1 3.25Å; S417-I421 PolarHBondContact O-N 3.08Å
418L94.1Very high87.8Confident36 Ų3652.3 Ų52.319%0.18830%0.296CS..Hα-helixtrans-70.3-34-180-16466.5000112I154 A158 L414 T415 V416 F420 I421 F422I154-L418 HydrophobicContact CG2-CD2 3.76Å; A158-L418 HydrophobicContact CB-CB 3.77Å; A158-L418 HydrophobicContact CB-CD2 3.82Å; A158-L418 HydrophobicContact CB-CG 3.92Å; L414-L418 VanDerWaalsContact O-CB 3.32Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 PolarHBondContact O-N 3.49Å; T415-L418 PolarHBondContact O-N 3.38Å; V416-L418 PolarHBondContact O-N 3.45Å; L418-F420 VanDerWaalsContact C-N 3.29Å; L418-F420 PolarHBondContact O-N 2.64Å; L418-I421 HydrophobicContact CD1-CB 4.42Å; L418-I421 HydrophobicContact CD1-CD1 4.05Å; L418-I421 WeakPolarHBondContact O-CB 3.17Å; L418-I421 PolarHBondContact O-N 3.29Å; L418-I421 VanDerWaalsContact O-N 3.13Å; L418-F422 HydrophobicContact CD2-CE2 4.31Å; L418-F422 HydrophobicContact CG-CE2 4.01Å; L418-F422 HydrophobicContact CG-CZ 4.32Å; L418-F422 WeakPolarHBondContact O-CD2 3.48Å; L418-F422 PolarHBondContact O-N 3.32Å
419A93.1Very high86.1Confident0 Ų053 Ų530%030%0.298CS..Hα-helixtrans-61.3-37.5171.100000112L161 Y162 I180 T415 V416 F422 T423L161-A419 HydrophobicContact CB-CB 4.25Å; L161-A419 HydrophobicContact CD2-CB 3.87Å; L161-A419 HydrophobicContact CG-CB 4.12Å; Y162-A419 WeakPolarHBondContact CD2-O 3.4Å; I180-A419 HydrophobicContact CD1-CB 4.45Å; I180-A419 HydrophobicContact CG2-CB 3.92Å; T415-A419 WeakPolarHBondContact O-CB 3.5Å; T415-A419 PolarHBondContact O-N 3.33Å; V416-A419 PolarHBondContact O-N 3.22Å; A419-F422 PolarHBondContact O-N 2.9Å; A419-T423 PolarHBondContact O-N 2.86Å
420F93Very high84.1Confident64 Ų6451.6 Ų51.628%0.28129%0.291SS..Hα-helixtrans-65.8-40.2170.8-84.4-68.8000112.6W177 I180 L181 V416 S417 L418 F422 T423W177-F420 HydrophobicContact CB-CE1 3.71Å; W177-F420 HydrophobicContact CB-CZ 3.91Å; I180-F420 HydrophobicContact CB-CE2 4.42Å; I180-F420 HydrophobicContact CB-CZ 4.29Å; I180-F420 HydrophobicContact CD1-CD1 4.49Å; I180-F420 HydrophobicContact CG2-CD2 4.04Å; I180-F420 HydrophobicContact CG2-CE2 3.77Å; I180-F420 HydrophobicContact CG2-CZ 4.13Å; L181-F420 HydrophobicContact CD1-CZ 4.47Å; L181-F420 HydrophobicContact CD2-CE2 3.71Å; L181-F420 HydrophobicContact CD2-CZ 4.17Å; L181-F420 HydrophobicContact CG-CE2 3.95Å; L181-F420 HydrophobicContact CG-CZ 3.89Å; V416-F420 HydrophobicContact CG1-CD2 4.05Å; V416-F420 HydrophobicContact CG1-CE2 3.9Å; V416-F420 VanDerWaalsContact O-CD2 3.29Å; V416-F420 WeakPolarHBondContact O-CD2 3.3Å; V416-F420 PolarHBondContact O-N 3.34Å; S417-F420 WeakPolarHBondContact O-CB 3.49Å; S417-F420 PolarHBondContact O-N 2.86Å; L418-F420 VanDerWaalsContact C-N 3.29Å; L418-F420 PolarHBondContact O-N 2.64Å; F420-F422 PolarHBondContact O-N 3.37Å; F420-T423 HydrophobicContact CD1-CG2 4.41Å; F420-T423 VanDerWaalsContact O-CB 3.29Å; F420-T423 WeakPolarHBondContact O-CB 3.41Å; F420-T423 WeakPolarHBondContact O-CG2 3.24Å; F420-T423 PolarHBondContact O-N 3.15Å; F420-T423 PolarHBondContact O-OG1 3.06Å
421I91.8Very high82.4Confident93 Ų9352.3 Ų52.348%0.47729%0.293SS..Hα-helixtrans-60.1-37.6175.2-67.4168.6000110.6S417 L418 T423 L424S417-I421 WeakPolarHBondContact O-CG1 3.25Å; S417-I421 PolarHBondContact O-N 3.08Å; L418-I421 HydrophobicContact CD1-CB 4.42Å; L418-I421 HydrophobicContact CD1-CD1 4.05Å; L418-I421 WeakPolarHBondContact O-CB 3.17Å; L418-I421 PolarHBondContact O-N 3.29Å; L418-I421 VanDerWaalsContact O-N 3.13Å; I421-T423 PolarHBondContact O-N 2.93Å; I421-L424 VanDerWaalsContact O-CB 3.32Å; I421-L424 WeakPolarHBondContact O-CB 3.29Å; I421-L424 PolarHBondContact O-N 3.33Å
422F88.6Confident81Confident32 Ų3254.1 Ų54.114%0.1430%0.303CS..Hα-helixtrans-64.4-20.6174.6-71.2-48.3000114.2V155 A158 L159 Y162 L418 A419 F420 L424 S425V155-F422 HydrophobicContact CG1-CZ 4.19Å; A158-F422 HydrophobicContact CB-CD2 4.12Å; A158-F422 HydrophobicContact CB-CE2 3.71Å; L159-F422 HydrophobicContact CD2-CD1 3.89Å; L159-F422 HydrophobicContact CD2-CD2 3.63Å; L159-F422 HydrophobicContact CD2-CE1 3.78Å; L159-F422 HydrophobicContact CD2-CE2 3.48Å; L159-F422 VanDerWaalsContact CD2-CE2 3.48Å; L159-F422 HydrophobicContact CD2-CG 3.86Å; L159-F422 HydrophobicContact CD2-CZ 3.58Å; L159-F422 HydrophobicContact CG-CD2 4.14Å; L159-F422 HydrophobicContact CG-CE2 3.61Å; L159-F422 HydrophobicContact CG-CZ 3.85Å; Y162-F422 HydrophobicContact CD1-CB 4.1Å; Y162-F422 HydrophobicContact CD2-CB 3.96Å; Y162-F422 HydrophobicContact CE1-CB 4.5Å; Y162-F422 HydrophobicContact CE2-CB 4.32Å; Y162-F422 HydrophobicContact CG-CB 3.79Å; Y162-F422 PolarHBondContact OH-O 2.88Å; L418-F422 HydrophobicContact CD2-CE2 4.31Å; L418-F422 HydrophobicContact CG-CE2 4.01Å; L418-F422 HydrophobicContact CG-CZ 4.32Å; L418-F422 WeakPolarHBondContact O-CD2 3.48Å; L418-F422 PolarHBondContact O-N 3.32Å; A419-F422 PolarHBondContact O-N 2.9Å; F420-F422 PolarHBondContact O-N 3.37Å; F422-L424 PolarHBondContact O-N 2.85Å; F422-S425 PolarHBondContact O-N 3.22Å; F422-S425 VanDerWaalsContact O-N 3.09Å
423T86.3Confident79.7Confident51 Ų5154.2 Ų54.231%0.31330%0.303SS..Hα-helixtrans-64.3-22.8171.574.90000113.1Y162 I176 I180 A419 F420 I421Y162-T423 HydrophobicContact CD2-CG2 3.85Å; Y162-T423 VanDerWaalsContact CE2-CA 3.5Å; Y162-T423 HydrophobicContact CE2-CG2 3.69Å; I176-T423 HydrophobicContact CD1-CG2 4.01Å; I180-T423 HydrophobicContact CD1-CG2 3.89Å; A419-T423 PolarHBondContact O-N 2.86Å; F420-T423 HydrophobicContact CD1-CG2 4.41Å; F420-T423 VanDerWaalsContact O-CB 3.29Å; F420-T423 WeakPolarHBondContact O-CB 3.41Å; F420-T423 WeakPolarHBondContact O-CG2 3.24Å; F420-T423 PolarHBondContact O-N 3.15Å; F420-T423 PolarHBondContact O-OG1 3.06Å; I421-T423 PolarHBondContact O-N 2.93Å
424L85.5Confident78.3Confident148 Ų14853.2 Ų53.278%0.77529%0.293SS*.THydrogen-bonded Turntrans-84.1-15.4176.4-51.2176.7000112.6I421 F422I421-L424 VanDerWaalsContact O-CB 3.32Å; I421-L424 WeakPolarHBondContact O-CB 3.29Å; I421-L424 PolarHBondContact O-N 3.33Å; F422-L424 PolarHBondContact O-N 2.85Å
425S72.1Confident77.4Confident62 Ų6250.2 Ų50.243%0.43428%0.278SS..SBendtrans-94.3138.6-176.1-71.80000112.7F422F422-S425 PolarHBondContact O-N 3.22Å; F422-S425 VanDerWaalsContact O-N 3.09Å
426S55Low76.6Confident101 Ų10151 Ų5171%0.70628%0.282SS*.  trans-89.9108.5-17948.10000112.6H428S426-H428 PolarHBondContact O-N 2.92Å
427S55.9Low75.8Confident48 Ų4851.2 Ų51.234%0.33628%0.282SS..SBend91.6-14.5130-43.50000123.5R332R332-S427 PolarHBondContact NH1-O 2.76Å; R332-S427 PolarHBondContact NH2-OG 3.35Å
428H59.3Low75.2Confident91 Ų9148 Ų4842%0.42126%0.26SS..  trans-110.121.4-173.6-65.9-74.9000115.9S426 L430 I432 S485S426-H428 PolarHBondContact O-N 2.92Å; H428-L430 PolarHBondContact O-N 3.12Å; H428-I432 HydrophobicContact CB-CD1 4.04Å; H428-I432 WeakPolarHBondContact O-CD1 3.08Å; H428-I432 VanDerWaalsContact O-CG1 3.29Å; H428-I432 WeakPolarHBondContact O-CG1 3.39Å; H428-I432 PolarHBondContact O-N 3.39Å; H428-S485 PolarHBondContact CE1-OG 3.18Å
429I61.2Low75Confident18 Ų1846.3 Ų46.39%0.09225%0.251CS..Hα-helixtrans-70.6-34.3-156.5-74.1162.2000114.4L159 Y162 A163 S433L159-I429 HydrophobicContact CB-CG2 4.38Å; L159-I429 HydrophobicContact CD2-CB 4.32Å; L159-I429 HydrophobicContact CD2-CG1 4.16Å; L159-I429 HydrophobicContact CD2-CG2 3.52Å; L159-I429 HydrophobicContact CG-CG2 4.47Å; Y162-I429 HydrophobicContact CD1-CD1 3.78Å; Y162-I429 HydrophobicContact CD1-CG2 3.98Å; Y162-I429 HydrophobicContact CE1-CB 4.49Å; Y162-I429 HydrophobicContact CE1-CD1 3.13Å; Y162-I429 HydrophobicContact CE1-CG1 4.31Å; Y162-I429 HydrophobicContact CE1-CG2 4.21Å; A163-I429 HydrophobicContact CB-CG2 4.22Å; I429-S433 PolarHBondContact O-N 3.41Å; I429-S433 PolarHBondContact O-OG 3.45Å; I429-S433 VanDerWaalsContact O-OG 3.11Å
430L53.8Low74.8Confident38 Ų3847.2 Ų47.220%0.19926%0.256CS..Hα-helixtrans-71.4-41.2-176.2-161.1119000113V83 L86 H428 I432 S433 F434V83-L430 HydrophobicContact CB-CD1 4.42Å; V83-L430 HydrophobicContact CG1-CD1 3.64Å; V83-L430 HydrophobicContact CG1-CG 3.6Å; L86-L430 HydrophobicContact CB-CD1 4.4Å; H428-L430 PolarHBondContact O-N 3.12Å; L430-I432 VanDerWaalsContact C-N 3.35Å; L430-S433 WeakPolarHBondContact O-CB 3.21Å; L430-S433 PolarHBondContact O-N 2.79Å; L430-F434 HydrophobicContact CD2-CE2 4.19Å
431Q62.5Low74.8Confident86 Ų8644.3 Ų44.340%0.40224%0.244SC..Hα-helixtrans-70.3-34.3177.8-173.1174.2-3.900111.6S433 F434 S435Q431-S433 VanDerWaalsContact C-N 3.3Å; Q431-S433 PolarHBondContact O-N 3.5Å; Q431-F434 PolarHBondContact O-N 3.26Å; Q431-S435 WeakPolarHBondContact O-CB 3.43Å; Q431-S435 PolarHBondContact O-N 3.36Å; Q431-S435 PolarHBondContact O-OG 3.22Å
432I68.7Low75Confident53 Ų5339.9 Ų39.927%0.27222%0.221SC..Hα-helixtrans-59.3-44.2173.7-67.5167000109.9L159 H428 L430 F434 S435 L436L159-I432 HydrophobicContact CD1-CG2 4.04Å; H428-I432 HydrophobicContact CB-CD1 4.04Å; H428-I432 WeakPolarHBondContact O-CD1 3.08Å; H428-I432 VanDerWaalsContact O-CG1 3.29Å; H428-I432 WeakPolarHBondContact O-CG1 3.39Å; H428-I432 PolarHBondContact O-N 3.39Å; L430-I432 VanDerWaalsContact C-N 3.35Å; I432-F434 PolarHBondContact O-N 3.3Å; I432-S435 PolarHBondContact O-N 3.21Å; I432-S435 VanDerWaalsContact O-N 3.16Å; I432-L436 HydrophobicContact CG2-CD1 4.1Å; I432-L436 HydrophobicContact CG2-CG 4.26Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 3.29Å
433S69.8Low75.4Confident1 Ų138.4 Ų38.41%0.00721%0.214CC..Hα-helixtrans-56.5-46.8179.9-62.30000113.6I429 L430 Q431I429-S433 PolarHBondContact O-N 3.41Å; I429-S433 PolarHBondContact O-OG 3.45Å; I429-S433 VanDerWaalsContact O-OG 3.11Å; L430-S433 WeakPolarHBondContact O-CB 3.21Å; L430-S433 PolarHBondContact O-N 2.79Å; Q431-S433 VanDerWaalsContact C-N 3.3Å; Q431-S433 PolarHBondContact O-N 3.5Å
434F67.2Low75.9Confident47 Ų4736.1 Ų36.121%0.20620%0.2CC..Hα-helixtrans-70.5-36.5177.1-73-61.5000112.6A84 L430 Q431 I432 L436 F437 Y543A84-F434 HydrophobicContact CB-CZ 4.41Å; L430-F434 HydrophobicContact CD2-CE2 4.19Å; Q431-F434 PolarHBondContact O-N 3.26Å; I432-F434 PolarHBondContact O-N 3.3Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 2.95Å; F434-F437 PolarHBondContact O-N 2.91Å; F434-Y543 HydrophobicContact CB-CD2 3.98Å; F434-Y543 HydrophobicContact CB-CE2 3.76Å; F434-Y543 HydrophobicContact CG-CE2 4.37Å
435S77.9Confident76.5Confident6 Ų629.1 Ų29.14%0.04216%0.164CC..Hα-helixtrans-64.4-33179-57.80000111.8Q431 I432 F437 G438 A439Q431-S435 WeakPolarHBondContact O-CB 3.43Å; Q431-S435 PolarHBondContact O-N 3.36Å; Q431-S435 PolarHBondContact O-OG 3.22Å; I432-S435 PolarHBondContact O-N 3.21Å; I432-S435 VanDerWaalsContact O-N 3.16Å; S435-F437 PolarHBondContact O-N 3.06Å; S435-G438 PolarHBondContact O-N 3.11Å; S435-A439 WeakPolarHBondContact O-CB 3.18Å; S435-A439 PolarHBondContact O-N 3.17Å
436L81Confident77.7Confident18 Ų1826.1 Ų26.19%0.09414%0.143CC..Hα-helixtrans-62.1-39.6178.9-75.6168.8000113.3Q152 V155 L159 I432 F434 I440Q152-L436 PolarHBondContact NE2-O 3.46Å; V155-L436 HydrophobicContact CG1-CD1 3.71Å; L159-L436 HydrophobicContact CD1-CD1 3.78Å; I432-L436 HydrophobicContact CG2-CD1 4.1Å; I432-L436 HydrophobicContact CG2-CG 4.26Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 3.29Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 2.95Å; L436-I440 HydrophobicContact CD2-CD1 3.71Å; L436-I440 WeakPolarHBondContact O-CB 3.29Å; L436-I440 PolarHBondContact O-N 3.12Å
437F79.6Confident79.7Confident15 Ų1521.3 Ų21.37%0.06611%0.109CC..Hα-helixtrans-69.9-35.3177-81.2-73.5000113Y156 L266 S269 I270 F434 S435 G441 G442Y156-F437 AromaticContact CD1-CE2 3.98Å; Y156-F437 HydrophobicContact CD1-CE2 3.98Å; Y156-F437 AromaticContact CD1-CZ 3.78Å; Y156-F437 HydrophobicContact CD1-CZ 3.78Å; Y156-F437 AromaticContact CD2-CE2 3.76Å; Y156-F437 HydrophobicContact CD2-CE2 3.76Å; Y156-F437 HydrophobicContact CD2-CZ 4.39Å; Y156-F437 AromaticContact CE1-CE2 3.71Å; Y156-F437 HydrophobicContact CE1-CE2 3.71Å; Y156-F437 AromaticContact CE1-CZ 3.6Å; Y156-F437 HydrophobicContact CE1-CZ 3.6Å; Y156-F437 HydrophobicContact CE2-CD2 4.39Å; Y156-F437 AromaticContact CE2-CE2 3.5Å; Y156-F437 HydrophobicContact CE2-CE2 3.5Å; Y156-F437 HydrophobicContact CE2-CZ 4.26Å; Y156-F437 AromaticContact CG-CE2 4Å; Y156-F437 HydrophobicContact CG-CE2 4Å; Y156-F437 HydrophobicContact CG-CZ 4.18Å; Y156-F437 AromaticContact CZ-CE2 3.46Å; Y156-F437 VanDerWaalsContact CZ-CE2 3.46Å; Y156-F437 AromaticContact CZ-CZ 3.86Å; L266-F437 HydrophobicContact CD1-CB 3.57Å; S269-F437 PolarHBondContact OG-O 3.26Å; I270-F437 HydrophobicContact CD1-CB 4.34Å; I270-F437 HydrophobicContact CD1-CD1 4.11Å; I270-F437 HydrophobicContact CD1-CD2 4.35Å; I270-F437 HydrophobicContact CD1-CE1 4.5Å; I270-F437 HydrophobicContact CD1-CG 4.03Å; I270-F437 HydrophobicContact CG1-CB 4.34Å; I270-F437 HydrophobicContact CG1-CD1 3.53Å; I270-F437 HydrophobicContact CG1-CE1 3.9Å; I270-F437 HydrophobicContact CG1-CG 3.95Å; F434-F437 PolarHBondContact O-N 2.91Å; S435-F437 PolarHBondContact O-N 3.06Å; F437-G441 CarbonylContact O-C 3.23Å; F437-G441 WeakPolarHBondContact O-CA 3.42Å; F437-G441 PolarHBondContact O-N 3.23Å; F437-G442 PolarHBondContact O-N 3.21Å
438G83.4Confident81.7Confident0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-68.6-51.1172.800000111.7S435 G442 Y546 A547S435-G438 PolarHBondContact O-N 3.11Å; G438-G442 WeakPolarHBondContact O-CA 3.35Å; G438-G442 PolarHBondContact O-N 3.34Å; G438-G442 VanDerWaalsContact O-N 3.12Å; G438-Y546 VanDerWaalsContact C-CB 3.47Å; G438-Y546 CarbonylContact O-C 3.6Å; G438-A547 PolarHBondContact O-N 3.32Å
439A88.6Confident83.6Confident1 Ų115.6 Ų15.61%0.0088%0.078CC..Hα-helixtrans-72.4-36.6-172.500000114S435 P443 G473 C477 Y546S435-A439 WeakPolarHBondContact O-CB 3.18Å; S435-A439 PolarHBondContact O-N 3.17Å; A439-P443 WeakPolarHBondContact O-CD 3.39Å; A439-P443 VanDerWaalsContact O-CG 3.31Å; A439-P443 WeakPolarHBondContact O-CG 3.45Å; A439-G473 WeakPolarHBondContact CB-O 3.24Å; A439-G473 WeakPolarHBondContact O-CA 3.47Å; A439-C477 HydrophobicContact CB-CB 3.83Å; A439-Y546 HydrophobicContact CB-CD2 4.01Å
440I90.6Very high85.3Confident19 Ų1914.7 Ų14.710%0.0977%0.074CC..THydrogen-bonded Turntrans-111-32.7-177-50.2175.4000112.1V148 Q152 L436 P443 I444 L474V148-I440 HydrophobicContact CG1-CG2 3.31Å; Q152-I440 HydrophobicContact CB-CB 4.1Å; Q152-I440 HydrophobicContact CB-CD1 4.04Å; Q152-I440 HydrophobicContact CB-CG2 3.72Å; Q152-I440 HydrophobicContact CG-CB 3.94Å; Q152-I440 HydrophobicContact CG-CD1 4.18Å; Q152-I440 HydrophobicContact CG-CG2 4.09Å; L436-I440 HydrophobicContact CD2-CD1 3.71Å; L436-I440 WeakPolarHBondContact O-CB 3.29Å; L436-I440 PolarHBondContact O-N 3.12Å; I440-P443 VanDerWaalsContact O-CD 3.3Å; I440-P443 WeakPolarHBondContact O-CD 3.14Å; I440-I444 WeakPolarHBondContact O-CG1 3.32Å; I440-L474 HydrophobicContact CD1-CD2 4.11Å; I440-L474 HydrophobicContact CG1-CD2 3.96Å
441G92Very high87.3Confident3 Ų312.9 Ų12.93%0.0317%0.065CC..Hα-helixtrans-71.1-31.317100000113F437 I444 L445F437-G441 CarbonylContact O-C 3.23Å; F437-G441 WeakPolarHBondContact O-CA 3.42Å; F437-G441 PolarHBondContact O-N 3.23Å; G441-I444 PolarHBondContact O-N 3.3Å; G441-L445 WeakPolarHBondContact O-CB 3.46Å; G441-L445 PolarHBondContact O-N 3.06Å
442G95.2Very high88.9Confident0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-56.7-50.3175.100000114.3F437 G438 I444 L445 T446F437-G442 PolarHBondContact O-N 3.21Å; G438-G442 WeakPolarHBondContact O-CA 3.35Å; G438-G442 PolarHBondContact O-N 3.34Å; G438-G442 VanDerWaalsContact O-N 3.12Å; G442-I444 PolarHBondContact O-N 2.87Å; G442-L445 WeakPolarHBondContact O-CB 3.12Å; G442-L445 PolarHBondContact O-N 2.75Å; G442-T446 WeakPolarHBondContact O-CB 3.38Å; G442-T446 PolarHBondContact O-N 2.83Å; G442-T446 PolarHBondContact O-OG1 3.37Å
443P97.1Very high90.1Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-59.9-42.4175.4-2735000113.5A439 I440 T446 V447 L466 G469 V470 C550A439-P443 WeakPolarHBondContact O-CD 3.39Å; A439-P443 VanDerWaalsContact O-CG 3.31Å; A439-P443 WeakPolarHBondContact O-CG 3.45Å; I440-P443 VanDerWaalsContact O-CD 3.3Å; I440-P443 WeakPolarHBondContact O-CD 3.14Å; P443-T446 WeakPolarHBondContact O-CB 3.28Å; P443-T446 PolarHBondContact O-N 3.35Å; P443-V447 PolarHBondContact O-N 2.88Å; P443-L466 HydrophobicContact CB-CD1 4.14Å; P443-G469 WeakPolarHBondContact CG-O 3.47Å; P443-V470 HydrophobicContact CB-CG2 3.66Å; P443-V470 HydrophobicContact CG-CB 4.46Å; P443-V470 HydrophobicContact CG-CG2 3.97Å; P443-C550 VanDerWaalsContact CD-SG 3.54Å; P443-C550 HydrophobicContact CG-CB 4.18Å
444I97.4Very high91.3Very high4 Ų411 Ų112%0.0215%0.053CC..Hα-helixtrans-62-48175.8-62.8174.7000109.8T145 V148 F149 A273 I440 G441 G442 T446 V447 F448T145-I444 HydrophobicContact CG2-CG1 4.11Å; T145-I444 HydrophobicContact CG2-CG2 4Å; V148-I444 HydrophobicContact CG1-CD1 4.22Å; V148-I444 HydrophobicContact CG1-CG1 4.25Å; F149-I444 HydrophobicContact CB-CD1 3.95Å; A273-I444 HydrophobicContact CB-CG2 4.3Å; I440-I444 WeakPolarHBondContact O-CG1 3.32Å; G441-I444 PolarHBondContact O-N 3.3Å; G442-I444 PolarHBondContact O-N 2.87Å; I444-T446 VanDerWaalsContact C-N 3.25Å; I444-T446 PolarHBondContact O-N 3.24Å; I444-V447 VanDerWaalsContact O-CG1 3.28Å; I444-V447 WeakPolarHBondContact O-CG1 3.49Å; I444-V447 PolarHBondContact O-N 3.19Å; I444-F448 HydrophobicContact CG2-CD2 3.73Å; I444-F448 HydrophobicContact CG2-CE2 3.6Å; I444-F448 WeakPolarHBondContact O-CD2 3.46Å; I444-F448 PolarHBondContact O-N 3.16Å; I444-F448 VanDerWaalsContact O-N 3.14Å
445L97.1Very high92.3Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-56.2-42.4174174.964.4000111.5Y117 L268 A273 G441 G442 F448 T449 I551Y117-L445 HydrophobicContact CE1-CD1 4.05Å; L268-L445 HydrophobicContact CB-CD2 4.22Å; L268-L445 HydrophobicContact CD2-CD1 4.16Å; L268-L445 HydrophobicContact CD2-CD2 4.28Å; L268-L445 HydrophobicContact CG-CD1 3.87Å; L268-L445 HydrophobicContact CG-CD2 4.2Å; A273-L445 HydrophobicContact CB-CB 4.02Å; A273-L445 HydrophobicContact CB-CD1 3.99Å; G441-L445 WeakPolarHBondContact O-CB 3.46Å; G441-L445 PolarHBondContact O-N 3.06Å; G442-L445 WeakPolarHBondContact O-CB 3.12Å; G442-L445 PolarHBondContact O-N 2.75Å; L445-F448 PolarHBondContact O-N 3.26Å; L445-T449 WeakPolarHBondContact O-CB 3.41Å; L445-T449 PolarHBondContact O-N 3.41Å; L445-T449 PolarHBondContact O-OG1 3.24Å; L445-I551 HydrophobicContact CD2-CD1 4.02Å; L445-I551 HydrophobicContact CG-CD1 4.47Å
446T97.9Very high92.9Very high0 Ų09.8 Ų9.80%05%0.05CC..Hα-helixtrans-64-47.4-177.1-52.70000111.3G442 P443 I444 F448 T449 V450 T465 I551 I555G442-T446 WeakPolarHBondContact O-CB 3.38Å; G442-T446 PolarHBondContact O-N 2.83Å; G442-T446 PolarHBondContact O-OG1 3.37Å; P443-T446 WeakPolarHBondContact O-CB 3.28Å; P443-T446 PolarHBondContact O-N 3.35Å; I444-T446 VanDerWaalsContact C-N 3.25Å; I444-T446 PolarHBondContact O-N 3.24Å; T446-F448 PolarHBondContact O-N 3.12Å; T446-T449 WeakPolarHBondContact O-CB 3.47Å; T446-T449 PolarHBondContact O-N 3.4Å; T446-V450 WeakPolarHBondContact O-CB 3.11Å; T446-V450 WeakPolarHBondContact O-CG2 3.5Å; T446-V450 PolarHBondContact O-N 2.89Å; T446-T465 HydrophobicContact CG2-CG2 3.58Å; T446-I551 HydrophobicContact CG2-CG1 4.31Å; T446-I551 VanDerWaalsContact OG1-CG1 3.28Å; T446-I551 WeakPolarHBondContact OG1-CG1 3.27Å; T446-I551 PolarHBondContact OG1-N 3.12Å; T446-I555 HydrophobicContact CG2-CG1 3.97Å
447V98.2Very high93.5Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-66.3-36.7179.471.60000112.2L133 F137 V141 P443 I444 G451 G462 L466L133-V447 HydrophobicContact CD1-CG1 3.92Å; L133-V447 HydrophobicContact CD2-CG1 4.29Å; L133-V447 HydrophobicContact CD2-CG2 4.16Å; F137-V447 HydrophobicContact CD2-CG2 4.43Å; F137-V447 HydrophobicContact CE2-CG2 4.25Å; V141-V447 HydrophobicContact CG1-CG2 3.87Å; P443-V447 PolarHBondContact O-N 2.88Å; I444-V447 VanDerWaalsContact O-CG1 3.28Å; I444-V447 WeakPolarHBondContact O-CG1 3.49Å; I444-V447 PolarHBondContact O-N 3.19Å; V447-G451 PolarHBondContact O-N 3.05Å; V447-G462 WeakPolarHBondContact CG2-O 3.2Å; V447-L466 HydrophobicContact CB-CB 4.22Å; V447-L466 HydrophobicContact CG1-CD1 4.09Å; V447-L466 HydrophobicContact CG2-CB 4.34Å
448F98Very high94.1Very high0 Ų08.4 Ų8.40%04%0.043CC..Hα-helixtrans-64.6-46.3171.8-82.5-66.5000112Y117 F121 A129 H130 Y132 L133 A273 I444 L445 T446 V450 G451 I452Y117-F448 HydrophobicContact CE1-CB 4.44Å; F121-F448 AromaticContact CE1-CD1 3.71Å; F121-F448 HydrophobicContact CE1-CD1 3.71Å; F121-F448 AromaticContact CE1-CE1 3.55Å; F121-F448 HydrophobicContact CE1-CE1 3.55Å; F121-F448 HydrophobicContact CE1-CZ 4.44Å; F121-F448 AromaticContact CZ-CD1 3.6Å; F121-F448 HydrophobicContact CZ-CD1 3.6Å; F121-F448 AromaticContact CZ-CE1 3.74Å; F121-F448 HydrophobicContact CZ-CE1 3.74Å; F121-F448 HydrophobicContact CZ-CG 4.21Å; F121-F448 HydrophobicContact CZ-CZ 4.43Å; A129-F448 HydrophobicContact CB-CZ 4.04Å; A129-F448 WeakPolarHBondContact O-CE1 3.18Å; H130-F448 AromaticContact CD2-CZ 3.91Å; Y132-F448 AromaticContact CD1-CD1 3.53Å; Y132-F448 HydrophobicContact CD1-CD1 3.53Å; Y132-F448 AromaticContact CD1-CE1 3.62Å; Y132-F448 HydrophobicContact CD1-CE1 3.62Å; Y132-F448 AromaticContact CE1-CD1 3.97Å; Y132-F448 HydrophobicContact CE1-CD1 3.97Å; Y132-F448 HydrophobicContact CE1-CE1 4.5Å; Y132-F448 HydrophobicContact CG-CD1 4.47Å; Y132-F448 HydrophobicContact CG-CE1 4.27Å; L133-F448 HydrophobicContact CD1-CE1 4.14Å; L133-F448 HydrophobicContact CD1-CE2 4.28Å; L133-F448 HydrophobicContact CD1-CZ 3.98Å; L133-F448 HydrophobicContact CD2-CD1 3.95Å; L133-F448 HydrophobicContact CD2-CE1 4.08Å; L133-F448 HydrophobicContact CD2-CG 4.47Å; L133-F448 HydrophobicContact CG-CD1 4.21Å; L133-F448 HydrophobicContact CG-CE1 3.81Å; L133-F448 HydrophobicContact CG-CZ 4.14Å; A273-F448 HydrophobicContact CB-CD2 3.98Å; I444-F448 HydrophobicContact CG2-CD2 3.73Å; I444-F448 HydrophobicContact CG2-CE2 3.6Å; I444-F448 WeakPolarHBondContact O-CD2 3.46Å; I444-F448 PolarHBondContact O-N 3.16Å; I444-F448 VanDerWaalsContact O-N 3.14Å; L445-F448 PolarHBondContact O-N 3.26Å; T446-F448 PolarHBondContact O-N 3.12Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 2.87Å; F448-G451 PolarHBondContact O-N 2.68Å; F448-I452 WeakPolarHBondContact O-CB 3.41Å; F448-I452 VanDerWaalsContact O-CG1 3.23Å; F448-I452 WeakPolarHBondContact O-CG1 3.42Å; F448-I452 PolarHBondContact O-N 2.85Å
449T97.8Very high94.6Very high18 Ų1810.1 Ų10.111%0.116%0.058CC..Hα-helixtrans-56-47.3178.1-55.50000110.2Y117 L445 T446 I452 F453Y117-T449 PolarHBondContact OH-OG1 2.86Å; L445-T449 WeakPolarHBondContact O-CB 3.41Å; L445-T449 PolarHBondContact O-N 3.41Å; L445-T449 PolarHBondContact O-OG1 3.24Å; T446-T449 WeakPolarHBondContact O-CB 3.47Å; T446-T449 PolarHBondContact O-N 3.4Å; T449-I452 PolarHBondContact O-N 3.3Å; T449-F453 HydrophobicContact CG2-CD2 3.93Å; T449-F453 HydrophobicContact CG2-CE2 4.41Å; T449-F453 WeakPolarHBondContact O-CD2 3.41Å; T449-F453 PolarHBondContact O-N 2.8Å
450V97Very high95Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-63.9-43.6-179.7165.70000112F137 T446 F448 I452 F454 I457 T465 I555F137-V450 HydrophobicContact CZ-CG1 4.1Å; T446-V450 WeakPolarHBondContact O-CB 3.11Å; T446-V450 WeakPolarHBondContact O-CG2 3.5Å; T446-V450 PolarHBondContact O-N 2.89Å; F448-V450 VanDerWaalsContact C-N 3.27Å; F448-V450 PolarHBondContact O-N 2.87Å; V450-I452 VanDerWaalsContact C-N 3.33Å; V450-I452 PolarHBondContact O-N 3.4Å; V450-F454 HydrophobicContact CB-CD2 4.25Å; V450-F454 HydrophobicContact CG1-CD2 4.34Å; V450-F454 HydrophobicContact CG2-CD2 4.05Å; V450-F454 HydrophobicContact CG2-CE2 4.33Å; V450-F454 PolarHBondContact O-N 2.79Å; V450-I457 HydrophobicContact CB-CD1 4.44Å; V450-I457 HydrophobicContact CG1-CB 3.82Å; V450-I457 HydrophobicContact CG1-CD1 3.31Å; V450-I457 HydrophobicContact CG1-CG1 4.08Å; V450-I457 HydrophobicContact CG1-CG2 3.6Å; V450-I457 HydrophobicContact CG2-CD1 4.38Å; V450-T465 HydrophobicContact CG2-CG2 4.03Å; V450-I555 HydrophobicContact CG2-CB 4.45Å; V450-I555 HydrophobicContact CG2-CD1 4.43Å; V450-I555 HydrophobicContact CG2-CG1 3.68Å
451G96.2Very high95.3Very high0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-59.4-43.1174.900000113.2Y132 R136 F137 V447 F448 L578Y132-G451 PolarHBondContact OH-O 3.23Å; R136-G451 PolarHBondContact NE-O 2.7Å; F137-G451 VanDerWaalsContact CZ-CA 3.49Å; V447-G451 PolarHBondContact O-N 3.05Å; F448-G451 PolarHBondContact O-N 2.68Å; G451-L578 WeakPolarHBondContact O-CD2 3.32Å
452I96.1Very high95.5Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-76.1-33.9-171.8-72.6172000112.4V116 Y117 V120 F121 Y132 F448 T449 V450 L578 A579V116-I452 HydrophobicContact CG1-CG2 4.26Å; Y117-I452 HydrophobicContact CD1-CD1 3.47Å; Y117-I452 VanDerWaalsContact CD1-CD1 3.47Å; Y117-I452 HydrophobicContact CE1-CD1 3.82Å; Y117-I452 HydrophobicContact CG-CD1 4.28Å; V120-I452 HydrophobicContact CG2-CG2 4.37Å; F121-I452 HydrophobicContact CZ-CD1 4.28Å; Y132-I452 HydrophobicContact CE1-CG1 4.05Å; Y132-I452 HydrophobicContact CE2-CG1 4.47Å; Y132-I452 VanDerWaalsContact OH-CA 3.3Å; Y132-I452 WeakPolarHBondContact OH-CA 3.35Å; Y132-I452 WeakPolarHBondContact OH-CG1 3.31Å; Y132-I452 PolarHBondContact OH-N 3.1Å; Y132-I452 VanDerWaalsContact OH-N 3.07Å; F448-I452 WeakPolarHBondContact O-CB 3.41Å; F448-I452 VanDerWaalsContact O-CG1 3.23Å; F448-I452 WeakPolarHBondContact O-CG1 3.42Å; F448-I452 PolarHBondContact O-N 2.85Å; T449-I452 PolarHBondContact O-N 3.3Å; V450-I452 VanDerWaalsContact C-N 3.33Å; V450-I452 PolarHBondContact O-N 3.4Å; I452-L578 WeakPolarHBondContact O-CA 3.43Å; I452-A579 HydrophobicContact CG2-CB 3.39Å; I452-A579 PolarHBondContact O-N 3.33Å
453F94.8Very high95.6Very high51 Ų5115 Ų1522%0.2248%0.08CC..Hα-helixtrans-107.8-28.2-172.4-76.3-77.1000115.2V116 T449 P455 A579 A582 Y586V116-F453 HydrophobicContact CB-CZ 4.41Å; V116-F453 HydrophobicContact CG1-CE1 4.22Å; V116-F453 HydrophobicContact CG1-CE2 3.49Å; V116-F453 VanDerWaalsContact CG1-CE2 3.49Å; V116-F453 HydrophobicContact CG1-CZ 3.22Å; V116-F453 HydrophobicContact CG2-CZ 4.34Å; T449-F453 HydrophobicContact CG2-CD2 3.93Å; T449-F453 HydrophobicContact CG2-CE2 4.41Å; T449-F453 WeakPolarHBondContact O-CD2 3.41Å; T449-F453 PolarHBondContact O-N 2.8Å; F453-P455 WeakPolarHBondContact O-CD 3.46Å; F453-A579 HydrophobicContact CE1-CB 4.29Å; F453-A582 HydrophobicContact CD1-CB 3.94Å; F453-Y586 VanDerWaalsContact O-CE2 3.26Å; F453-Y586 WeakPolarHBondContact O-CE2 3.44Å; F453-Y586 PolarHBondContact O-OH 3.4Å
454F93.2Very high95.7Very high50 Ų5017 Ų1722%0.2199%0.093CC..  trans-114.599.2-171.2-53.9-57.9000111R136 V450 C456 I457 I555 F559R136-F454 PolarHBondContact NH2-O 2.8Å; V450-F454 HydrophobicContact CB-CD2 4.25Å; V450-F454 HydrophobicContact CG1-CD2 4.34Å; V450-F454 HydrophobicContact CG2-CD2 4.05Å; V450-F454 HydrophobicContact CG2-CE2 4.33Å; V450-F454 PolarHBondContact O-N 2.79Å; F454-C456 PolarHBondContact O-N 3.04Å; F454-I457 HydrophobicContact CB-CD1 3.97Å; F454-I457 HydrophobicContact CB-CG1 4.17Å; F454-I457 HydrophobicContact CD2-CD1 4.18Å; F454-I457 HydrophobicContact CG-CD1 4.37Å; F454-I555 HydrophobicContact CE2-CD1 4.12Å; F454-I555 HydrophobicContact CE2-CG2 4.13Å; F454-F559 HydrophobicContact CB-CZ 4.27Å; F454-F559 HydrophobicContact CD1-CE2 4.3Å; F454-F559 AromaticContact CD1-CZ 3.79Å; F454-F559 HydrophobicContact CD1-CZ 3.79Å; F454-F559 HydrophobicContact CD2-CE2 4.16Å; F454-F559 HydrophobicContact CD2-CZ 4.31Å; F454-F559 HydrophobicContact CE1-CE2 4.45Å; F454-F559 HydrophobicContact CE1-CZ 4.22Å; F454-F559 HydrophobicContact CE2-CE2 4.35Å; F454-F559 HydrophobicContact CG-CE2 4.17Å; F454-F559 AromaticContact CG-CZ 3.86Å; F454-F559 HydrophobicContact CG-CZ 3.86Å; F454-F559 HydrophobicContact CZ-CE2 4.5Å
455P89.9Confident95.7Very high3 Ų316.8 Ų16.82%0.0199%0.092CC..THydrogen-bonded Turntrans-70.9-19.1179.928.9-33.5000112.9R136 F453 N568 L578 Y586 L593R136-P455 PolarHBondContact NH2-O 3.32Å; F453-P455 WeakPolarHBondContact O-CD 3.46Å; P455-N568 PolarHBondContact O-ND2 2.95Å; P455-L578 HydrophobicContact CB-CD1 4.09Å; P455-L578 HydrophobicContact CB-CD2 4.48Å; P455-Y586 VanDerWaalsContact CD-OH 3.26Å; P455-Y586 WeakPolarHBondContact CD-OH 3.32Å; P455-Y586 HydrophobicContact CG-CD2 4.04Å; P455-Y586 HydrophobicContact CG-CE1 4.21Å; P455-Y586 HydrophobicContact CG-CE2 3.7Å; P455-Y586 HydrophobicContact CG-CG 4.5Å; P455-L593 HydrophobicContact CG-CD1 3.99Å
456C89.4Confident95.8Very high23 Ų2316.8 Ų16.816%0.1559%0.092CC..THydrogen-bonded Turntrans-76.1-25.5-179.954.80000113.8F454 N458 F559 F567 N568 P594F454-C456 PolarHBondContact O-N 3.04Å; C456-N458 PolarHBondContact O-N 3.12Å; C456-F559 WeakPolarHBondContact SG-CE1 3.16Å; C456-F567 HydrophobicContact CB-CD1 4.07Å; C456-F567 WeakPolarHBondContact O-CB 3.28Å; C456-F567 WeakPolarHBondContact O-CD1 3.27Å; C456-N568 PolarHBondContact O-N 3.09Å; C456-P594 HydrophobicContact CB-CG 3.89Å
457I93.1Very high95.8Very high0 Ų020.3 Ų20.30%011%0.11CC..  trans-71.6127.7-177-67.7178.5000109.9R136 F137 V450 F454 F559 S562 N568R136-I457 VanDerWaalsContact CZ-O 3.3Å; R136-I457 PolarHBondContact NH1-O 3.32Å; R136-I457 PolarHBondContact NH2-O 3.49Å; F137-I457 HydrophobicContact CE1-CG2 3.97Å; F137-I457 WeakPolarHBondContact CE1-O 3.39Å; F137-I457 HydrophobicContact CZ-CG2 4.33Å; V450-I457 HydrophobicContact CB-CD1 4.44Å; V450-I457 HydrophobicContact CG1-CB 3.82Å; V450-I457 HydrophobicContact CG1-CD1 3.31Å; V450-I457 HydrophobicContact CG1-CG1 4.08Å; V450-I457 HydrophobicContact CG1-CG2 3.6Å; V450-I457 HydrophobicContact CG2-CD1 4.38Å; F454-I457 HydrophobicContact CB-CD1 3.97Å; F454-I457 HydrophobicContact CB-CG1 4.17Å; F454-I457 HydrophobicContact CD2-CD1 4.18Å; F454-I457 HydrophobicContact CG-CD1 4.37Å; I457-F559 HydrophobicContact CD1-CD1 4.38Å; I457-F559 HydrophobicContact CD1-CD2 3.84Å; I457-F559 HydrophobicContact CD1-CE1 4.39Å; I457-F559 HydrophobicContact CD1-CE2 3.83Å; I457-F559 HydrophobicContact CD1-CG 4.11Å; I457-F559 HydrophobicContact CD1-CZ 4.12Å; I457-F559 HydrophobicContact CG1-CD1 4.42Å; I457-F559 HydrophobicContact CG1-CE1 4.47Å; I457-S562 WeakPolarHBondContact CA-OG 3.41Å; I457-N568 PolarHBondContact O-ND2 3.07Å
458N93.1Very high95.8Very high5 Ų521.1 Ų21.13%0.02712%0.116CC..  trans-94.5-176.6-178.662.211.9000112.9F137 C456 E460 G461 G462 S562 T565 F567 N568F137-N458 VanDerWaalsContact CD1-O 3.29Å; F137-N458 WeakPolarHBondContact CD1-O 3.17Å; F137-N458 WeakPolarHBondContact CE1-O 3.44Å; C456-N458 PolarHBondContact O-N 3.12Å; N458-E460 VanDerWaalsContact C-N 3.35Å; N458-E460 PolarHBondContact O-N 3.3Å; N458-G461 PolarHBondContact O-N 3.42Å; N458-G461 PolarHBondContact OD1-N 3.12Å; N458-G462 PolarHBondContact O-N 3.5Å; N458-S562 PolarHBondContact N-OG 3.05Å; N458-S562 WeakPolarHBondContact OD1-CA 3.23Å; N458-S562 WeakPolarHBondContact OD1-CB 3.4Å; N458-S562 PolarHBondContact OD1-OG 3.29Å; N458-T565 PolarHBondContact ND2-OG1 3.28Å; N458-T565 PolarHBondContact OD1-OG1 3.32Å; N458-F567 WeakPolarHBondContact CB-O 3.36Å; N458-F567 PolarHBondContact ND2-O 3.3Å; N458-N568 VanDerWaalsContact CA-OD1 3.24Å; N458-N568 WeakPolarHBondContact CA-OD1 3.3Å; N458-N568 VanDerWaalsContact CB-OD1 3.27Å; N458-N568 WeakPolarHBondContact CB-OD1 3.47Å
459A94.7Very high95.7Very high36 Ų3621.1 Ų21.130%0.29812%0.116SC..Hα-helixtrans-58.2-45.3-176.800000112.4F137 G462 L463F137-A459 WeakPolarHBondContact O-CB 3.35Å; A459-G462 PolarHBondContact O-N 3.4Å; A459-L463 PolarHBondContact O-N 3.05Å
460E95.7Very high95.6Very high95 Ų9521.5 Ų21.544%0.44412%0.118SC..Hα-helixtrans-64.7-45.7179.4-6376.4-17100110.8N458 G462 L463 C464 I561 T565N458-E460 VanDerWaalsContact C-N 3.35Å; N458-E460 PolarHBondContact O-N 3.3Å; E460-G462 PolarHBondContact O-N 3.02Å; E460-L463 PolarHBondContact O-N 2.88Å; E460-C464 WeakPolarHBondContact O-CB 3.49Å; E460-C464 PolarHBondContact O-N 2.98Å; E460-C464 PolarHBondContact O-SG 3.48Å; E460-I561 HydrophobicContact CB-CG2 4.07Å; E460-T565 HydrophobicContact CB-CG2 4.09Å; E460-T565 HydrophobicContact CG-CG2 4.24Å
461G96.8Very high95.6Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-63.9-39.8175.200000112.8N458 C464 T465 S562N458-G461 PolarHBondContact O-N 3.42Å; N458-G461 PolarHBondContact OD1-N 3.12Å; G461-C464 PolarHBondContact O-N 2.89Å; G461-T465 WeakPolarHBondContact O-CB 3.45Å; G461-T465 PolarHBondContact O-N 3.49Å; G461-T465 PolarHBondContact O-OG1 2.87Å; G461-S562 WeakPolarHBondContact CA-OG 3.24Å
462G97.2Very high95.6Very high0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-62-42.9174.600000112.6V447 N458 A459 E460 T465 L466V447-G462 WeakPolarHBondContact CG2-O 3.2Å; N458-G462 PolarHBondContact O-N 3.5Å; A459-G462 PolarHBondContact O-N 3.4Å; E460-G462 PolarHBondContact O-N 3.02Å; G462-T465 WeakPolarHBondContact O-CB 3.14Å; G462-T465 PolarHBondContact O-N 2.99Å; G462-L466 PolarHBondContact O-N 3.21Å
463L97.9Very high95.5Very high30 Ų3027.5 Ų27.516%0.15715%0.15CC..Hα-helixtrans-65-48.2175.7-175.964.2000111.9L140 V141 T144 A459 E460 T465 L466 I467L140-L463 HydrophobicContact CD2-CD2 3.53Å; L140-L463 HydrophobicContact CG-CD1 4.25Å; L140-L463 HydrophobicContact CG-CD2 4.05Å; V141-L463 HydrophobicContact CG2-CB 3.9Å; V141-L463 HydrophobicContact CG2-CD1 4.3Å; T144-L463 HydrophobicContact CG2-CD1 4.43Å; A459-L463 PolarHBondContact O-N 3.05Å; E460-L463 PolarHBondContact O-N 2.88Å; L463-T465 VanDerWaalsContact C-N 3.28Å; L463-T465 PolarHBondContact O-N 2.63Å; L463-L466 PolarHBondContact O-N 3.05Å; L463-L466 VanDerWaalsContact O-N 3.16Å; L463-I467 HydrophobicContact CD1-CD1 4.02Å; L463-I467 HydrophobicContact CD1-CG1 4.38Å; L463-I467 HydrophobicContact CD2-CD1 4.36Å; L463-I467 HydrophobicContact CG-CD1 3.81Å; L463-I467 HydrophobicContact CG-CG1 4.46Å; L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 3.43Å
464C98.1Very high95.3Very high41 Ų4128.2 Ų28.228%0.27716%0.156SC..Hα-helixtrans-65.1-32.5179.5-72.10000112.3E460 G461 S468 I557 I561E460-C464 WeakPolarHBondContact O-CB 3.49Å; E460-C464 PolarHBondContact O-N 2.98Å; E460-C464 PolarHBondContact O-SG 3.48Å; G461-C464 PolarHBondContact O-N 2.89Å; C464-S468 VanDerWaalsContact O-CB 3.22Å; C464-S468 WeakPolarHBondContact O-CB 3.12Å; C464-S468 PolarHBondContact O-N 3.47Å; C464-S468 PolarHBondContact O-OG 2.9Å; C464-I557 HydrophobicContact CB-CG2 4.09Å; C464-I561 HydrophobicContact CB-CB 4.25Å; C464-I561 HydrophobicContact CB-CG1 3.83Å; C464-I561 HydrophobicContact CB-CG2 4.24Å
465T98.4Very high95.3Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-57-48.9170.7-630000110.9T446 V450 G461 G462 L463 S468 G469 G554 G558T446-T465 HydrophobicContact CG2-CG2 3.58Å; V450-T465 HydrophobicContact CG2-CG2 4.03Å; G461-T465 WeakPolarHBondContact O-CB 3.45Å; G461-T465 PolarHBondContact O-N 3.49Å; G461-T465 PolarHBondContact O-OG1 2.87Å; G462-T465 WeakPolarHBondContact O-CB 3.14Å; G462-T465 PolarHBondContact O-N 2.99Å; L463-T465 VanDerWaalsContact C-N 3.28Å; L463-T465 PolarHBondContact O-N 2.63Å; T465-S468 PolarHBondContact O-OG 2.84Å; T465-G469 PolarHBondContact O-N 3.13Å; T465-G469 VanDerWaalsContact O-N 3.09Å; T465-G554 PolarHBondContact OG1-O 3.4Å; T465-G558 WeakPolarHBondContact OG1-CA 3.14Å
466L98Very high95.3Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-65.2-51.1179.617765.9000111.6T144 T145 P443 V447 G462 L463 G469 V470T144-L466 HydrophobicContact CG2-CD2 3.64Å; T145-L466 VanDerWaalsContact OG1-CD2 3.28Å; T145-L466 WeakPolarHBondContact OG1-CD2 3.33Å; P443-L466 HydrophobicContact CB-CD1 4.14Å; V447-L466 HydrophobicContact CB-CB 4.22Å; V447-L466 HydrophobicContact CG1-CD1 4.09Å; V447-L466 HydrophobicContact CG2-CB 4.34Å; G462-L466 PolarHBondContact O-N 3.21Å; L463-L466 PolarHBondContact O-N 3.05Å; L463-L466 VanDerWaalsContact O-N 3.16Å; L466-G469 PolarHBondContact O-N 3.22Å; L466-V470 HydrophobicContact CD1-CG2 4.31Å; L466-V470 WeakPolarHBondContact O-CG2 3.4Å; L466-V470 PolarHBondContact O-N 2.97Å
467I98Very high95.3Very high74 Ų7432.7 Ų32.738%0.37917%0.17SC..Hα-helixtrans-63.1-47.8-175.5-66.6173.9000110.8L463 G469 V470 I471L463-I467 HydrophobicContact CD1-CD1 4.02Å; L463-I467 HydrophobicContact CD1-CG1 4.38Å; L463-I467 HydrophobicContact CD2-CD1 4.36Å; L463-I467 HydrophobicContact CG-CD1 3.81Å; L463-I467 HydrophobicContact CG-CG1 4.46Å; L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 3.43Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 3.13Å; I467-V470 PolarHBondContact O-N 3.04Å; I467-I471 HydrophobicContact CG2-CD1 3.81Å; I467-I471 HydrophobicContact CG2-CG1 4.45Å; I467-I471 WeakPolarHBondContact O-CG1 3.31Å; I467-I471 PolarHBondContact O-N 3.23Å
468S97.9Very high94.9Very high18 Ų1837 Ų3713%0.12619%0.192CC..Hα-helixtrans-62.9-38.8178.3600000112.2C464 T465 I471 C472C464-S468 VanDerWaalsContact O-CB 3.22Å; C464-S468 WeakPolarHBondContact O-CB 3.12Å; C464-S468 PolarHBondContact O-N 3.47Å; C464-S468 PolarHBondContact O-OG 2.9Å; T465-S468 PolarHBondContact O-OG 2.84Å; S468-I471 PolarHBondContact O-N 3.34Å; S468-C472 VanDerWaalsContact O-CB 3.3Å; S468-C472 WeakPolarHBondContact O-CB 3.01Å; S468-C472 PolarHBondContact O-N 3.43Å
469G96.9Very high94.6Very high0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-58.4-50.4171.700000111.9P443 T465 L466 I467 I471 C472 G473P443-G469 WeakPolarHBondContact CG-O 3.47Å; T465-G469 PolarHBondContact O-N 3.13Å; T465-G469 VanDerWaalsContact O-N 3.09Å; L466-G469 PolarHBondContact O-N 3.22Å; I467-G469 VanDerWaalsContact C-N 3.31Å; I467-G469 PolarHBondContact O-N 3.13Å; G469-I471 VanDerWaalsContact C-N 3.35Å; G469-I471 PolarHBondContact O-N 2.88Å; G469-C472 PolarHBondContact O-N 3.01Å; G469-G473 PolarHBondContact O-N 3.31Å
470V96Very high94Very high26 Ų2636.3 Ų36.316%0.15819%0.186CC..Hα-helixtrans-60.2-45179.9170.60000111.1V148 P443 L466 I467 G473 L474V148-V470 HydrophobicContact CG1-CG2 3.94Å; V148-V470 HydrophobicContact CG2-CG2 4.05Å; P443-V470 HydrophobicContact CB-CG2 3.66Å; P443-V470 HydrophobicContact CG-CB 4.46Å; P443-V470 HydrophobicContact CG-CG2 3.97Å; L466-V470 HydrophobicContact CD1-CG2 4.31Å; L466-V470 WeakPolarHBondContact O-CG2 3.4Å; L466-V470 PolarHBondContact O-N 2.97Å; I467-V470 PolarHBondContact O-N 3.04Å; V470-G473 PolarHBondContact O-N 3.46Å; V470-L474 HydrophobicContact CG1-CD1 3.73Å; V470-L474 HydrophobicContact CG1-CG 4.27Å; V470-L474 WeakPolarHBondContact O-CB 3.29Å; V470-L474 WeakPolarHBondContact O-CG 3.5Å; V470-L474 PolarHBondContact O-N 3.11Å
471I96.7Very high93.1Very high108 Ų10834.8 Ų34.855%0.55418%0.183SC*.Hα-helixtrans-58.8-49.8175.9-68.1168.5000109.8I467 S468 G469 W475I467-I471 HydrophobicContact CG2-CD1 3.81Å; I467-I471 HydrophobicContact CG2-CG1 4.45Å; I467-I471 WeakPolarHBondContact O-CG1 3.31Å; I467-I471 PolarHBondContact O-N 3.23Å; S468-I471 PolarHBondContact O-N 3.34Å; G469-I471 VanDerWaalsContact C-N 3.35Å; G469-I471 PolarHBondContact O-N 2.88Å; I471-W475 WeakPolarHBondContact O-CB 3.2Å; I471-W475 PolarHBondContact O-N 3.21Å
472C95.5Very high92.1Very high17 Ų1742.8 Ų42.812%0.11522%0.218CC..Hα-helixtrans-59.1-51.4179.4-178.80000112.1S468 G469 W475 I476 V553S468-C472 VanDerWaalsContact O-CB 3.3Å; S468-C472 WeakPolarHBondContact O-CB 3.01Å; S468-C472 PolarHBondContact O-N 3.43Å; G469-C472 PolarHBondContact O-N 3.01Å; C472-W475 PolarHBondContact O-N 3.46Å; C472-I476 VanDerWaalsContact O-CG1 3.27Å; C472-I476 WeakPolarHBondContact O-CG1 3.2Å; C472-I476 PolarHBondContact O-N 3.31Å; C472-V553 HydrophobicContact CB-CB 4.46Å; C472-V553 HydrophobicContact CB-CG1 4.29Å
473G93.9Very high90.9Very high0 Ų047.3 Ų47.30%024%0.241CC..Hα-helixtrans-63-47.1-177.500000112.7A439 G469 V470 C477A439-G473 WeakPolarHBondContact CB-O 3.24Å; A439-G473 WeakPolarHBondContact O-CA 3.47Å; G469-G473 PolarHBondContact O-N 3.31Å; V470-G473 PolarHBondContact O-N 3.46Å; G473-C477 VanDerWaalsContact O-CB 3.23Å; G473-C477 WeakPolarHBondContact O-CB 3.33Å; G473-C477 PolarHBondContact O-N 3.43Å
474L91.8Very high89Confident66 Ų6647.3 Ų47.335%0.34624%0.242SC..Hα-helixtrans-66.6-41.3177.1-69179000111.8I440 V470 I476 C477 I478I440-L474 HydrophobicContact CD1-CD2 4.11Å; I440-L474 HydrophobicContact CG1-CD2 3.96Å; V470-L474 HydrophobicContact CG1-CD1 3.73Å; V470-L474 HydrophobicContact CG1-CG 4.27Å; V470-L474 WeakPolarHBondContact O-CB 3.29Å; V470-L474 WeakPolarHBondContact O-CG 3.5Å; V470-L474 PolarHBondContact O-N 3.11Å; L474-I476 PolarHBondContact O-N 2.88Å; L474-C477 PolarHBondContact O-N 2.82Å; L474-I478 HydrophobicContact CB-CD1 4.29Å; L474-I478 VanDerWaalsContact O-CB 3.27Å; L474-I478 WeakPolarHBondContact O-CB 3.35Å; L474-I478 WeakPolarHBondContact O-CG1 3.39Å; L474-I478 PolarHBondContact O-N 3.27Å
475W92.8Very high86.9Confident156 Ų15648.5 Ų48.559%0.59125%0.251SS*.Hα-helixtrans-58.4-48.1178.6-175.9-92.2000111.9I471 C472 G479 Y539I471-W475 WeakPolarHBondContact O-CB 3.2Å; I471-W475 PolarHBondContact O-N 3.21Å; C472-W475 PolarHBondContact O-N 3.46Å; W475-G479 PolarHBondContact O-N 3.25Å; W475-Y539 AromaticContact CD1-CE1 3.85Å; W475-Y539 WeakPolarHBondContact CZ2-OH 3.16Å; W475-Y539 AromaticContact NE1-CE1 3.65Å; W475-Y539 AromaticContact NE1-CZ 3.73Å; W475-Y539 PolarHBondContact NE1-OH 3.04Å; W475-Y539 VanDerWaalsContact NE1-OH 3.12Å
476I90.6Very high84.5Confident1 Ų160 Ų601%0.00529%0.294CS..Hα-helixtrans-66.4-46.6178.4-60.5164.3000110.3C472 L474 G479 N480 F538 L541 Y546 A549C472-I476 VanDerWaalsContact O-CG1 3.27Å; C472-I476 WeakPolarHBondContact O-CG1 3.2Å; C472-I476 PolarHBondContact O-N 3.31Å; L474-I476 PolarHBondContact O-N 2.88Å; I476-G479 PolarHBondContact O-N 3.24Å; I476-N480 VanDerWaalsContact O-CB 3.3Å; I476-N480 WeakPolarHBondContact O-CB 3.41Å; I476-N480 PolarHBondContact O-N 3.33Å; I476-F538 HydrophobicContact CD1-CE1 4.1Å; I476-F538 HydrophobicContact CD1-CZ 3.85Å; I476-F538 HydrophobicContact CG1-CD1 4.4Å; I476-F538 HydrophobicContact CG1-CE1 3.46Å; I476-F538 VanDerWaalsContact CG1-CE1 3.46Å; I476-F538 HydrophobicContact CG1-CZ 3.76Å; I476-L541 HydrophobicContact CD1-CD2 4.25Å; I476-L541 HydrophobicContact CG2-CB 4.38Å; I476-Y546 HydrophobicContact CB-CE1 4.37Å; I476-Y546 HydrophobicContact CG2-CD1 3.93Å; I476-Y546 HydrophobicContact CG2-CE1 3.34Å; I476-A549 HydrophobicContact CD1-CB 4.04Å
477C87.6Confident82.4Confident14 Ų1467.4 Ų67.410%0.09532%0.323CS..Hα-helixtrans-63.1-45.9-176.9-174.20000112.8A439 G473 L474 T481 Y546A439-C477 HydrophobicContact CB-CB 3.83Å; G473-C477 VanDerWaalsContact O-CB 3.23Å; G473-C477 WeakPolarHBondContact O-CB 3.33Å; G473-C477 PolarHBondContact O-N 3.43Å; L474-C477 PolarHBondContact O-N 2.82Å; C477-T481 PolarHBondContact O-N 3.48Å; C477-T481 PolarHBondContact O-OG1 3.1Å; C477-Y546 HydrophobicContact CB-CD2 4.47Å; C477-Y546 HydrophobicContact CB-CE2 3.86Å
478I86.2Confident80.3Confident90 Ų9066.3 Ų66.346%0.46232%0.318SS..Hα-helixtrans-66.9-47.6179.4-66.9169.9000109.5L474 N480 T481 F482L474-I478 HydrophobicContact CB-CD1 4.29Å; L474-I478 VanDerWaalsContact O-CB 3.27Å; L474-I478 WeakPolarHBondContact O-CB 3.35Å; L474-I478 WeakPolarHBondContact O-CG1 3.39Å; L474-I478 PolarHBondContact O-N 3.27Å; I478-N480 VanDerWaalsContact C-N 3.32Å; I478-N480 PolarHBondContact O-N 3.28Å; I478-T481 WeakPolarHBondContact O-CB 3.46Å; I478-T481 PolarHBondContact O-N 3.28Å; I478-T481 VanDerWaalsContact O-N 3.08Å; I478-F482 HydrophobicContact CG2-CD2 3.75Å; I478-F482 HydrophobicContact CG2-CE2 3.5Å; I478-F482 VanDerWaalsContact O-CD2 3.23Å; I478-F482 WeakPolarHBondContact O-CD2 3.26Å; I478-F482 PolarHBondContact O-N 2.78Å
479G85.5Confident78.3Confident9 Ų972.4 Ų72.49%0.09335%0.348CS..Hα-helixtrans-62.1-37.3178.700000113.2W475 I476 T481 F482 I483 Y539W475-G479 PolarHBondContact O-N 3.25Å; I476-G479 PolarHBondContact O-N 3.24Å; G479-T481 VanDerWaalsContact C-N 3.29Å; G479-T481 PolarHBondContact O-N 2.83Å; G479-F482 PolarHBondContact O-N 2.86Å; G479-I483 VanDerWaalsContact O-CB 3.3Å; G479-I483 WeakPolarHBondContact O-CB 3.27Å; G479-I483 WeakPolarHBondContact O-CG1 3.42Å; G479-I483 PolarHBondContact O-N 3.37Å; G479-Y539 VanDerWaalsContact CA-CD1 3.44Å
480N82.6Confident76.7Confident18 Ų1875 Ų7510%0.09637%0.367CS..Hα-helixtrans-59.8-41.4173.6-171.1-4.5000111.5I476 I478 F482 T484 Y539 Y546I476-N480 VanDerWaalsContact O-CB 3.3Å; I476-N480 WeakPolarHBondContact O-CB 3.41Å; I476-N480 PolarHBondContact O-N 3.33Å; I478-N480 VanDerWaalsContact C-N 3.32Å; I478-N480 PolarHBondContact O-N 3.28Å; N480-F482 VanDerWaalsContact C-N 3.32Å; N480-F482 PolarHBondContact O-N 2.84Å; N480-T484 PolarHBondContact O-N 2.87Å; N480-T484 PolarHBondContact O-OG1 3.22Å; N480-T484 WeakPolarHBondContact OD1-CB 3.49Å; N480-T484 PolarHBondContact OD1-OG1 3.18Å; N480-Y539 WeakPolarHBondContact CB-O 3.42Å; N480-Y539 VanDerWaalsContact CG-O 3.3Å; N480-Y546 WeakPolarHBondContact CB-OH 3.24Å; N480-Y546 PolarHBondContact ND2-OH 2.75Å
481T76.2Confident76Confident63 Ų6380 Ų8039%0.38738%0.383SS..Hα-helixtrans-63.2-37.9179.8-53.40000112.1C477 I478 G479C477-T481 PolarHBondContact O-N 3.48Å; C477-T481 PolarHBondContact O-OG1 3.1Å; I478-T481 WeakPolarHBondContact O-CB 3.46Å; I478-T481 PolarHBondContact O-N 3.28Å; I478-T481 VanDerWaalsContact O-N 3.08Å; G479-T481 VanDerWaalsContact C-N 3.29Å; G479-T481 PolarHBondContact O-N 2.83Å
482F75.7Confident75.6Confident168 Ų16876.3 Ų76.374%0.73736%0.364SS*.Hα-helixtrans-83.4-36.3179.8-71.9-68.3000114I478 G479 N480I478-F482 HydrophobicContact CG2-CD2 3.75Å; I478-F482 HydrophobicContact CG2-CE2 3.5Å; I478-F482 VanDerWaalsContact O-CD2 3.23Å; I478-F482 WeakPolarHBondContact O-CD2 3.26Å; I478-F482 PolarHBondContact O-N 2.78Å; G479-F482 PolarHBondContact O-N 2.86Å; N480-F482 VanDerWaalsContact C-N 3.32Å; N480-F482 PolarHBondContact O-N 2.84Å
483I71.9Confident75.3Confident94 Ų9479.8 Ų79.848%0.48239%0.386SS..Hα-helixtrans-96.4-42.2-168.4-66.1164.5000111.9G479 Y539G479-I483 VanDerWaalsContact O-CB 3.3Å; G479-I483 WeakPolarHBondContact O-CB 3.27Å; G479-I483 WeakPolarHBondContact O-CG1 3.42Å; G479-I483 PolarHBondContact O-N 3.37Å; I483-Y539 HydrophobicContact CD1-CD1 4.39Å; I483-Y539 HydrophobicContact CD1-CD2 3.11Å; I483-Y539 HydrophobicContact CD1-CE2 3.38Å; I483-Y539 HydrophobicContact CD1-CG 3.64Å; I483-Y539 HydrophobicContact CG1-CD2 4.46Å
484T59.8Low75.2Confident30 Ų3081.4 Ų81.418%0.18440%0.395CS..SBendtrans-95.80.7-164.8-27.50000113.5N480 R486 R487 Y539N480-T484 PolarHBondContact O-N 2.87Å; N480-T484 PolarHBondContact O-OG1 3.22Å; N480-T484 WeakPolarHBondContact OD1-CB 3.49Å; N480-T484 PolarHBondContact OD1-OG1 3.18Å; T484-R486 PolarHBondContact O-N 2.75Å; T484-R487 PolarHBondContact O-N 3.05Å; T484-Y539 PolarHBondContact OG1-O 2.86Å
485S52.3Low75.1Confident67 Ų6781 Ų8147%0.46940%0.395SS..THydrogen-bonded Turntrans-62.512.4-178.6-147.80000115.2H428H428-S485 PolarHBondContact CE1-OG 3.18Å
486R48.5Very low75Confident240 Ų24077.5 Ų77.591%0.90639%0.387SS*.THydrogen-bonded Turntrans-126.54.9178.9-78.8-171.4179.4-175.80.9116.4T484T484-R486 PolarHBondContact O-N 2.75Å
487R53.3Low74.9Confident157 Ų15786.4 Ų86.459%0.59243%0.426SS*.  trans-140.279.4-173.2-71.1-178.8175.6150.4-3.7113.3T484T484-R487 PolarHBondContact O-N 3.05Å
488D55.4Low74.7Confident51 Ų5191.5 Ų91.527%0.27345%0.452SS..  trans-114.481.2163.2-156.3-3.3000109.9R253 S490R253-D488 IonicContact CZ-OD2 3.37Å; R253-D488 IonicContact NE-OD2 3.44Å; R253-D488 IonicContact NH1-OD2 3.75Å; R253-D488 PolarHBondContact NH1-OD2 2.59Å; D488-S490 PolarHBondContact O-N 2.78Å; D488-S490 WeakPolarHBondContact OD1-CB 3.49Å; D488-S490 PolarHBondContact OD1-OG 2.87Å
489N55.1Low74.7Confident145 Ų14588.8 Ų88.878%0.77544%0.441SS*.THydrogen-bonded Turntrans-78.69177.7-75-17000112.8R491N489-R491 VanDerWaalsContact C-N 3.3Å; N489-R491 PolarHBondContact O-N 3.39Å
490S64.1Low74Confident56 Ų5694 Ų9439%0.39247%0.471SS..THydrogen-bonded Turntrans-84.1-4.7-175.1-29.60000113.3D488D488-S490 PolarHBondContact O-N 2.78Å; D488-S490 WeakPolarHBondContact OD1-CB 3.49Å; D488-S490 PolarHBondContact OD1-OG 2.87Å
491R80.7Confident72.6Confident130 Ų13097.3 Ų97.349%0.49150%0.495SS..PPolyproline II helixtrans-74.5131.3-176.2-61.3-176.2-175.5173.51110.9Q94 N489Q94-R491 VanDerWaalsContact OE1-NE 3.1Å; N489-R491 VanDerWaalsContact C-N 3.3Å; N489-R491 PolarHBondContact O-N 3.39Å
492L89Confident71.2Confident31 Ų3199.4 Ų99.416%0.16251%0.508CS..PPolyproline II helixtrans-72.3153.8171.8-66.2167.6000110.2Q94 R240 L494Q94-L492 PolarHBondContact O-N 2.94Å; R240-L492 HydrophobicContact CB-CD1 4.48Å; R240-L492 HydrophobicContact CG-CD1 3.91Å; L492-L494 PolarHBondContact O-N 3.5Å
493P89.4Confident69.8Low89 Ų8996.2 Ų96.258%0.57850%0.498SS*.PPolyproline II helixtrans-59.5124.2-175.9-2433.2000112.8R240R240-P493 PolarHBondContact NH1-O 2.72Å; R240-P493 PolarHBondContact NH2-O 3.24Å
494L91.1Very high68.2Low34 Ų3497.8 Ų97.818%0.17851%0.507CS..  trans-111152.5174.3-66.1161.3000108.9Y93 Y316 D323 L326 Y333 L492Y93-L494 HydrophobicContact CD1-CD2 4.31Å; Y93-L494 HydrophobicContact CE1-CD1 4.2Å; Y93-L494 HydrophobicContact CE1-CD2 3.66Å; Y316-L494 HydrophobicContact CD2-CD2 4.16Å; Y316-L494 HydrophobicContact CE2-CD2 4.04Å; D323-L494 HydrophobicContact CB-CB 4.35Å; D323-L494 WeakPolarHBondContact OD2-CD1 3.32Å; L326-L494 HydrophobicContact CD1-CB 3.88Å; Y333-L494 HydrophobicContact CE1-CD1 4.01Å; Y333-L494 VanDerWaalsContact OH-CD1 3.26Å; Y333-L494 WeakPolarHBondContact OH-CD1 2.94Å; L492-L494 PolarHBondContact O-N 3.5Å
495T89.7Confident67.3Low57 Ų57103.9 Ų103.935%0.3553%0.531SS..  trans-141.8157.6-172.782.40000112.6G321 C322 D323G321-T495 CarbonylContact C-O 3.05Å; G321-T495 VanDerWaalsContact C-O 3.28Å; G321-T495 WeakPolarHBondContact CA-OG1 3.23Å; C322-T495 PolarHBondContact N-O 2.95Å; D323-T495 PolarHBondContact N-O 3.34Å
496I91.2Very high66.7Low83 Ų83107.3 Ų107.343%0.42654%0.544SS..  trans-115.213.6173.457.5167.2000112.4G321 L326 N327 N498 C499G321-I496 CarbonylContact O-C 3.59Å; G321-I496 VanDerWaalsContact O-CA 3.29Å; G321-I496 WeakPolarHBondContact O-CA 2.86Å; L326-I496 HydrophobicContact CB-CG2 3.59Å; N327-I496 HydrophobicContact CB-CG2 4.28Å; I496-N498 VanDerWaalsContact C-N 3.25Å; I496-N498 PolarHBondContact O-N 3.02Å; I496-C499 WeakPolarHBondContact O-CB 2.98Å; I496-C499 PolarHBondContact O-N 3.08Å; I496-C499 VanDerWaalsContact O-N 3.08Å
497K87.5Confident66.2Low188 Ų188103.6 Ų103.682%0.81754%0.539SS*.THydrogen-bonded Turntrans-60.5-32.1-172.1-72.4-173.8177.3-177.10113.6G321G321-K497 PolarHBondContact O-N 3.3Å
498N83.5Confident65.5Low121 Ų12199.8 Ų99.865%0.64754%0.536SS*.THydrogen-bonded Turntrans-101.211.7179.9-63.5-12.3000112.6G321 I496 T500G321-N498 WeakPolarHBondContact O-CA 3.19Å; G321-N498 PolarHBondContact O-N 3.16Å; I496-N498 VanDerWaalsContact C-N 3.25Å; I496-N498 PolarHBondContact O-N 3.02Å; N498-T500 PolarHBondContact O-N 2.9Å
499C85.3Confident64.5Low33 Ų33101.9 Ų101.922%0.22356%0.555CS.*  trans-69.3120.7171.2-69.90000109.4C322 I496 S501C322-C499 WeakPolarHBondContact CA-SG 3.41Å; C322-C499 HydrophobicContact CB-CB 4Å; C322-C499 WeakPolarHBondContact CB-SG 3.49Å; C322-C499 WeakPolarHBondContact SG-CA 3.29Å; C322-C499 WeakPolarHBondContact SG-CB 3.45Å; C322-C499 CovalentContact SG-SG 2.04Å; C322-C499 PolarHBondContact SG-SG 3.49Å; I496-C499 WeakPolarHBondContact O-CB 2.98Å; I496-C499 PolarHBondContact O-N 3.08Å; I496-C499 VanDerWaalsContact O-N 3.08Å; C499-S501 PolarHBondContact O-N 3.34Å
500T71.4Confident63.6Low120 Ų120100.1 Ų100.174%0.73655%0.554SS**  trans-58.3127.8169.223.70000109.2N498 T502N498-T500 PolarHBondContact O-N 2.9Å; T500-T502 PolarHBondContact O-N 3.31Å
501S53.1Low62.1Low86 Ų86102.3 Ų102.360%0.60157%0.569SS**THydrogen-bonded Turntrans-68.929.9-168.851.30000115.2C499C499-S501 PolarHBondContact O-N 3.34Å
502T47.5Very low60Low107 Ų107101.1 Ų101.166%0.65658%0.581SS**THydrogen-bonded Turntrans-80.8-19.5-178.5-32.60000111.9T500T500-T502 PolarHBondContact O-N 3.31Å
503I45.8Very low57.2Low102 Ų102106.8 Ų106.852%0.52361%0.61SS.*THydrogen-bonded Turntrans-98.2-28.3-177.8-61-179000113K505 N506I503-K505 PolarHBondContact O-N 2.7Å; I503-N506 PolarHBondContact O-N 3.27Å
504L39.1Very low54.5Low126 Ų126109.3 Ų109.366%0.6662%0.617SS**G310 helixtrans-67-21.1177.5-87.3160.4000113.6N506 S508L504-N506 VanDerWaalsContact C-N 3.35Å; L504-N506 PolarHBondContact O-N 3.14Å; L504-S508 PolarHBondContact O-OG 3.39Å
505K39.4Very low51.5Low158 Ų158113.2 Ų113.269%0.68764%0.642SS**G310 helixtrans-72.3-22177.4-77.4-173.7176.6-177.90114.5I503 S509I503-K505 PolarHBondContact O-N 2.7Å; K505-S509 PolarHBondContact O-OG 3.45Å
506N40.1Very low48.9Very low139 Ų139116.5 Ų116.574%0.74366%0.662SS**G310 helixtrans-90.5-2.2-177.4-73.8-3.4000114I503 L504I503-N506 PolarHBondContact O-N 3.27Å; L504-N506 VanDerWaalsContact C-N 3.35Å; L504-N506 PolarHBondContact O-N 3.14Å
507M38.9Very low46Very low162 Ų162118.3 Ų118.380%0.79868%0.677SS**THydrogen-bonded Turntrans-109.4-9.6174.1-128.3175.2-85.200112.9
508S37.2Very low43.3Very low77 Ų77115.4 Ų115.454%0.53868%0.676SS.*SBendtrans-87.9-7.5175.5-43.50000114L504 S510 S511L504-S508 PolarHBondContact O-OG 3.39Å; S508-S510 PolarHBondContact O-N 3.38Å; S508-S511 PolarHBondContact O-OG 3.47Å
509S35.9Very low40.8Very low96 Ų96114.8 Ų114.867%0.67168%0.681SS**SBendtrans-81.19-177-35.70000114.6K505K505-S509 PolarHBondContact O-OG 3.45Å
510S35.4Very low38.4Very low108 Ų108119.6 Ų119.676%0.75571%0.712SS**  trans-123.147.1174.8-53.30000110.6S508 S512S508-S510 PolarHBondContact O-N 3.38Å; S510-S512 PolarHBondContact O-N 3.37Å
511S33.6Very low36.4Very low101 Ų101118.8 Ų118.871%0.70671%0.711SS**  trans-92.885.1163.7-54.10000107.6S508 I513S508-S511 PolarHBondContact O-OG 3.47Å; S511-I513 PolarHBondContact O-N 3.43Å
512S35Very low35.2Very low105 Ų105120.7 Ų120.773%0.73472%0.719SS**  trans-59.5121.6158.132.70000108S510 I514S510-S512 PolarHBondContact O-N 3.37Å; S512-I514 PolarHBondContact O-N 3.14Å; S512-I514 VanDerWaalsContact O-N 3.12Å
513I30.3Very low34.4Very low151 Ų151122.2 Ų122.277%0.77473%0.728SS**  trans-48.1111.1172-62.6161.5000108.8S511 T515S511-I513 PolarHBondContact O-N 3.43Å; I513-T515 WeakPolarHBondContact CG2-OG1 3.39Å
514I34.4Very low33.5Very low142 Ų142122.3 Ų122.373%0.72873%0.734SS**  trans-124.993.3154.5-60.2-179.2000106.8S512 T516S512-I514 PolarHBondContact O-N 3.14Å; S512-I514 VanDerWaalsContact O-N 3.12Å; I514-T516 PolarHBondContact O-N 3.03Å
515T27.6Very low33.1Very low116 Ų116122.3 Ų122.371%0.71274%0.739SS**  trans-67.6108.7167.3-33.20000108I513I513-T515 WeakPolarHBondContact CG2-OG1 3.39Å
516T34.5Very low32.5Very low126 Ų126120.2 Ų120.277%0.77374%0.74SS**  trans-134.9127.5156.537.20000109.8I514I514-T516 PolarHBondContact O-N 3.03Å
517T30Very low31.9Very low120 Ų120118.8 Ų118.874%0.73674%0.736SS**  trans-76.5160.4-176.837.40000111.8
518T32.2Very low31.5Very low128 Ų128116.5 Ų116.579%0.78573%0.731SS**  trans109.8112.5152.967.50000120.1
519S30.9Very low31.1Very low108 Ų108119.2 Ų119.276%0.75574%0.739SS**  trans91.4129.1135.2-58.40000121.1
520P34.3Very low31.1Very low134 Ų134121.2 Ų121.287%0.8774%0.741SS**  trans-86.2121.6-178.734.6-29.2000110.3
521S29.2Very low31Very low102 Ų102122.8 Ų122.871%0.71374%0.74SS**  trans-136.2115.5166.147.80000110.5
522T27.8Very low31.4Very low126 Ų126126.9 Ų126.977%0.77375%0.746SS**  trans33.794.5143.8-5.60000116.4T524T522-T524 PolarHBondContact O-N 3.26Å
523T30.7Very low31.5Very low140 Ų140126 Ų12686%0.85974%0.735SS**  trans-68.781164.3-37.10000109.2T525T523-T525 PolarHBondContact O-N 3.36Å; T523-T525 VanDerWaalsContact O-N 3.12Å
524T26.7Very low32.5Very low104 Ų104124.7 Ų124.764%0.63874%0.735SS**  trans-57.9112.5152.535.90000106.7T522 T526T522-T524 PolarHBondContact O-N 3.26Å; T524-T526 PolarHBondContact O-N 3.03Å
525T30.7Very low33.5Very low125 Ų125122.4 Ų122.477%0.76773%0.728SS**  trans-55.884.115824.10000107.9T523 T527T523-T525 PolarHBondContact O-N 3.36Å; T523-T525 VanDerWaalsContact O-N 3.12Å; T525-T527 PolarHBondContact O-N 3.04Å
526T27.2Very low35.3Very low115 Ų115125 Ų12571%0.70673%0.725SS**  trans-68.579.2160.6330000106.8T524 V528T524-T526 PolarHBondContact O-N 3.03Å; T526-V528 PolarHBondContact O-N 3.4Å
527T27.9Very low37.2Very low108 Ų108120.3 Ų120.366%0.66370%0.697SS**  trans-52.693.3142.645.90000105.3T525 N529T525-T527 PolarHBondContact O-N 3.04Å; T527-N529 PolarHBondContact O-N 2.93Å
528V30.2Very low39.7Very low114 Ų114118.8 Ų118.869%0.69168%0.68SS**  trans-62.585.4160.4-178.30000104.1T526 I530T526-V528 PolarHBondContact O-N 3.4Å; V528-I530 HydrophobicContact CG1-CG1 3.73Å; V528-I530 PolarHBondContact O-N 2.79Å
529N29.5Very low42.2Very low134 Ų134115.2 Ų115.272%0.71765%0.653SS**  trans-58.682.6154.8-80.6-22.6000104.4T527 L531T527-N529 PolarHBondContact O-N 2.93Å; N529-L531 PolarHBondContact O-N 3.14Å
530I35.8Very low44.7Very low139 Ų139111.7 Ų111.771%0.71363%0.628SS**  trans-57.596155.7-59.1179.8000102.4V528 K532V528-I530 HydrophobicContact CG1-CG1 3.73Å; V528-I530 PolarHBondContact O-N 2.79Å; I530-K532 PolarHBondContact O-N 2.75Å
531L33.4Very low47.3Very low140 Ų140106.3 Ų106.373%0.73359%0.592SS**  trans-40.8108167.6-97.5140.9000105.9N529 T533N529-L531 PolarHBondContact O-N 3.14Å; L531-T533 HydrophobicContact CB-CG2 4.31Å; L531-T533 HydrophobicContact CD2-CG2 4.19Å; L531-T533 PolarHBondContact O-N 2.67Å
532K41.5Very low50.2Low188 Ų188101.6 Ų101.682%0.81756%0.559SS**  trans-65.460.2166-82.4178.9172.8175.40107.4I530 T534I530-K532 PolarHBondContact O-N 2.75Å; K532-T534 PolarHBondContact O-N 2.78Å
533T37.6Very low53Low85 Ų8596.2 Ų96.252%0.52152%0.524SS..  trans-79.977.9161.150.20000105.4L531 T535L531-T533 HydrophobicContact CB-CG2 4.31Å; L531-T533 HydrophobicContact CD2-CG2 4.19Å; L531-T533 PolarHBondContact O-N 2.67Å; T533-T535 PolarHBondContact O-N 2.83Å
534T50Low55.8Low124 Ų12489.6 Ų89.676%0.76148%0.484SS*.  trans-60.680159.324.90000107.1K532 W536K532-T534 PolarHBondContact O-N 2.78Å; T534-W536 PolarHBondContact O-N 3.15Å; T534-W536 VanDerWaalsContact O-N 3.08Å
535T55.4Low59Low94 Ų9486.1 Ų86.158%0.57746%0.459SS*.  trans-68.3106.5165.353.40000105.7T533 S537T533-T535 PolarHBondContact O-N 2.83Å; T535-S537 PolarHBondContact O-N 2.9Å
536W66Low62Low172 Ų17280.2 Ų80.265%0.65242%0.423SS*.  trans-44.2127.3169.4174.987.6000109.3F251 T534 F538F251-W536 AromaticContact CD1-NE1 3.74Å; F251-W536 AromaticContact CD2-CD1 3.61Å; F251-W536 AromaticContact CD2-NE1 3.28Å; F251-W536 VanDerWaalsContact CD2-NE1 3.28Å; F251-W536 AromaticContact CE1-CE2 3.86Å; F251-W536 AromaticContact CE1-CZ2 3.99Å; F251-W536 HydrophobicContact CE1-CZ2 3.99Å; F251-W536 AromaticContact CE1-NE1 3.38Å; F251-W536 AromaticContact CE2-CD1 3.71Å; F251-W536 AromaticContact CE2-CE2 3.92Å; F251-W536 HydrophobicContact CE2-CZ2 4.38Å; F251-W536 AromaticContact CE2-NE1 2.89Å; F251-W536 AromaticContact CG-CD1 3.94Å; F251-W536 AromaticContact CG-NE1 3.73Å; F251-W536 AromaticContact CZ-CE2 3.57Å; F251-W536 AromaticContact CZ-CZ2 3.66Å; F251-W536 HydrophobicContact CZ-CZ2 3.66Å; F251-W536 AromaticContact CZ-NE1 2.96Å; T534-W536 PolarHBondContact O-N 3.15Å; T534-W536 VanDerWaalsContact O-N 3.08Å; W536-F538 HydrophobicContact CH2-CB 4.08Å; W536-F538 HydrophobicContact CZ2-CB 4.45Å
537S75.2Confident65.1Low27 Ų2774.8 Ų74.819%0.18939%0.389CS..  trans-127.3130.2173.2176.80000107.4F251 T535 Y539 S540F251-S537 WeakPolarHBondContact CD1-O 3.34Å; T535-S537 PolarHBondContact O-N 2.9Å; S537-Y539 PolarHBondContact O-N 3.5Å; S537-Y539 VanDerWaalsContact O-N 3.09Å; S537-Y539 PolarHBondContact OG-N 3.05Å; S537-S540 WeakPolarHBondContact O-CB 3.37Å; S537-S540 PolarHBondContact O-N 2.8Å
538F81.6Confident68.3Low87 Ų8771 Ų7138%0.38237%0.369SS..G310 helixtrans-51.7-32.3174.1178.4-104000112.2I476 W536 S540 L541I476-F538 HydrophobicContact CD1-CE1 4.1Å; I476-F538 HydrophobicContact CD1-CZ 3.85Å; I476-F538 HydrophobicContact CG1-CD1 4.4Å; I476-F538 HydrophobicContact CG1-CE1 3.46Å; I476-F538 VanDerWaalsContact CG1-CE1 3.46Å; I476-F538 HydrophobicContact CG1-CZ 3.76Å; W536-F538 HydrophobicContact CH2-CB 4.08Å; W536-F538 HydrophobicContact CZ2-CB 4.45Å; F538-S540 PolarHBondContact O-N 3.25Å; F538-L541 PolarHBondContact O-N 3.33Å
539Y84.5Confident71.4Confident54 Ų5466.3 Ų66.321%0.21234%0.343CS..G310 helixtrans-75.5-7179.1-57.7-71.5000114.6W475 G479 N480 I483 T484 S537 L541W475-Y539 AromaticContact CD1-CE1 3.85Å; W475-Y539 WeakPolarHBondContact CZ2-OH 3.16Å; W475-Y539 AromaticContact NE1-CE1 3.65Å; W475-Y539 AromaticContact NE1-CZ 3.73Å; W475-Y539 PolarHBondContact NE1-OH 3.04Å; W475-Y539 VanDerWaalsContact NE1-OH 3.12Å; G479-Y539 VanDerWaalsContact CA-CD1 3.44Å; N480-Y539 WeakPolarHBondContact CB-O 3.42Å; N480-Y539 VanDerWaalsContact CG-O 3.3Å; I483-Y539 HydrophobicContact CD1-CD1 4.39Å; I483-Y539 HydrophobicContact CD1-CD2 3.11Å; I483-Y539 HydrophobicContact CD1-CE2 3.38Å; I483-Y539 HydrophobicContact CD1-CG 3.64Å; I483-Y539 HydrophobicContact CG1-CD2 4.46Å; T484-Y539 PolarHBondContact OG1-O 2.86Å; S537-Y539 PolarHBondContact O-N 3.5Å; S537-Y539 VanDerWaalsContact O-N 3.09Å; S537-Y539 PolarHBondContact OG-N 3.05Å; Y539-L541 VanDerWaalsContact C-N 3.28Å
540S84.5Confident74.6Confident34 Ų3460 Ų6024%0.23831%0.309CS..G310 helixtrans-85.93.2173.9-56.70000113F251 S537 F538 S542F251-S540 CarbonylContact C-O 3.27Å; F251-S540 WeakPolarHBondContact CA-O 3.47Å; S537-S540 WeakPolarHBondContact O-CB 3.37Å; S537-S540 PolarHBondContact O-N 2.8Å; F538-S540 PolarHBondContact O-N 3.25Å; S540-S542 PolarHBondContact O-N 3.33Å
541L88.9Confident77.4Confident20 Ų2055.5 Ų55.511%0.10529%0.286CS..SBendtrans-53.3133.6175.9-175.269.6000110.4P250 F251 I476 F538 Y539 Y543 Y545 Y546 A549P250-L541 HydrophobicContact CB-CD1 4.12Å; F251-L541 HydrophobicContact CD1-CB 4.31Å; F251-L541 HydrophobicContact CE1-CB 4.28Å; F251-L541 HydrophobicContact CE1-CD1 4.32Å; I476-L541 HydrophobicContact CD1-CD2 4.25Å; I476-L541 HydrophobicContact CG2-CB 4.38Å; F538-L541 PolarHBondContact O-N 3.33Å; Y539-L541 VanDerWaalsContact C-N 3.28Å; L541-Y543 PolarHBondContact O-N 3.49Å; L541-Y545 HydrophobicContact CD1-CD2 4.33Å; L541-Y546 HydrophobicContact CD2-CD1 4.28Å; L541-A549 HydrophobicContact CD2-CB 4.05Å
542S88.4Confident80.4Confident4 Ų453.8 Ų53.83%0.02828%0.281CS..  trans-53.3133.1175.6-179.30000110.8P250 K252 R253 S540 L544 Y545P250-S542 PolarHBondContact O-N 3.48Å; K252-S542 WeakPolarHBondContact O-CB 3.41Å; R253-S542 PolarHBondContact O-OG 3.35Å; S540-S542 PolarHBondContact O-N 3.33Å; S542-L544 PolarHBondContact O-N 2.86Å; S542-L544 PolarHBondContact OG-N 3.37Å; S542-Y545 PolarHBondContact O-N 2.86Å
543Y87Confident83Confident12 Ų1247.4 Ų47.45%0.04726%0.257CS..G310 helixtrans-58.8-22.9177.872.5-87.6000112.9R253 H254 F434 L541 Y545 Y546R253-Y543 HydrophobicContact CG-CE1 4.31Å; H254-Y543 AromaticContact NE2-CE1 3.65Å; H254-Y543 AromaticContact NE2-CZ 3.72Å; H254-Y543 PolarHBondContact NE2-OH 2.85Å; F434-Y543 HydrophobicContact CB-CD2 3.98Å; F434-Y543 HydrophobicContact CB-CE2 3.76Å; F434-Y543 HydrophobicContact CG-CE2 4.37Å; L541-Y543 PolarHBondContact O-N 3.49Å; Y543-Y545 VanDerWaalsContact C-N 3.29Å; Y543-Y545 PolarHBondContact O-N 3.29Å; Y543-Y546 PolarHBondContact O-N 2.96Å
544L90.1Very high85.9Confident1 Ų143.3 Ų43.31%0.00523%0.233CC..G310 helixtrans-67.5-29.2174.3-65.6172.9000112.1T258 L259 G262 L266 S542 Y546T258-L544 WeakPolarHBondContact O-CD1 3.08Å; L259-L544 HydrophobicContact CD2-CD1 3.67Å; L259-L544 HydrophobicContact CG-CD1 4.2Å; G262-L544 CarbonylContact C-O 3.46Å; G262-L544 VanDerWaalsContact C-O 3.27Å; G262-L544 WeakPolarHBondContact CA-O 3.49Å; L266-L544 HydrophobicContact CD2-CD2 3.64Å; S542-L544 PolarHBondContact O-N 2.86Å; S542-L544 PolarHBondContact OG-N 3.37Å; L544-Y546 VanDerWaalsContact C-N 3.34Å
545Y93.1Very high88.1Confident32 Ų3238.9 Ų38.913%0.12520%0.204CC..G310 helixtrans-84.8-0.9178.9-77.6-51.7000114.3P250 W257 T258 I261 G262 L541 S542 Y543 A547 A548 A549P250-Y545 HydrophobicContact CB-CD2 3.91Å; P250-Y545 HydrophobicContact CB-CE2 3.72Å; W257-Y545 PolarHBondContact O-OH 3.47Å; T258-Y545 HydrophobicContact CG2-CD2 3.96Å; T258-Y545 HydrophobicContact CG2-CE2 3.32Å; T258-Y545 PolarHBondContact N-OH 2.93Å; I261-Y545 HydrophobicContact CB-CE1 4.16Å; I261-Y545 HydrophobicContact CG2-CE1 4.09Å; G262-Y545 VanDerWaalsContact CA-CD1 3.46Å; L541-Y545 HydrophobicContact CD1-CD2 4.33Å; S542-Y545 PolarHBondContact O-N 2.86Å; Y543-Y545 VanDerWaalsContact C-N 3.29Å; Y543-Y545 PolarHBondContact O-N 3.29Å; Y545-A547 VanDerWaalsContact C-N 3.3Å; Y545-A547 PolarHBondContact O-N 3.05Å; Y545-A548 HydrophobicContact CD1-CB 4.12Å; Y545-A548 CarbonylContact O-C 3.32Å; Y545-A548 WeakPolarHBondContact O-CB 3.33Å; Y545-A548 PolarHBondContact O-N 3.45Å; Y545-A548 VanDerWaalsContact O-N 3.1Å; Y545-A549 WeakPolarHBondContact O-CB 3.39Å; Y545-A549 PolarHBondContact O-N 2.92Å
546Y93.6Very high90.2Very high1 Ų137.4 Ų37.40%0.00420%0.196CC..Hα-helixtrans-60-40.6-178.8-70.51.4000112.5G438 A439 I476 C477 N480 L541 Y543 L544 A549 C550G438-Y546 VanDerWaalsContact C-CB 3.47Å; G438-Y546 CarbonylContact O-C 3.6Å; A439-Y546 HydrophobicContact CB-CD2 4.01Å; I476-Y546 HydrophobicContact CB-CE1 4.37Å; I476-Y546 HydrophobicContact CG2-CD1 3.93Å; I476-Y546 HydrophobicContact CG2-CE1 3.34Å; C477-Y546 HydrophobicContact CB-CD2 4.47Å; C477-Y546 HydrophobicContact CB-CE2 3.86Å; N480-Y546 WeakPolarHBondContact CB-OH 3.24Å; N480-Y546 PolarHBondContact ND2-OH 2.75Å; L541-Y546 HydrophobicContact CD2-CD1 4.28Å; Y543-Y546 PolarHBondContact O-N 2.96Å; L544-Y546 VanDerWaalsContact C-N 3.34Å; Y546-A549 PolarHBondContact O-N 2.83Å; Y546-C550 PolarHBondContact O-N 3.28Å; Y546-C550 PolarHBondContact O-SG 2.85Å
547A93.8Very high91.7Very high0 Ų031.8 Ų31.80%018%0.178CC..Hα-helixtrans-64-42.2175.700000111.9G438 Y545 C550 I551G438-A547 PolarHBondContact O-N 3.32Å; Y545-A547 VanDerWaalsContact C-N 3.3Å; Y545-A547 PolarHBondContact O-N 3.05Å; A547-C550 PolarHBondContact O-N 3.48Å; A547-I551 WeakPolarHBondContact O-CG1 3.28Å; A547-I551 PolarHBondContact O-N 3.06Å; A547-I551 VanDerWaalsContact O-N 3.08Å
548A93.8Very high92.7Very high28 Ų2830.5 Ų30.523%0.23117%0.169CC..Hα-helixtrans-64-41.3175.700000111.8Y545 C550 I551 V552Y545-A548 HydrophobicContact CD1-CB 4.12Å; Y545-A548 CarbonylContact O-C 3.32Å; Y545-A548 WeakPolarHBondContact O-CB 3.33Å; Y545-A548 PolarHBondContact O-N 3.45Å; Y545-A548 VanDerWaalsContact O-N 3.1Å; A548-C550 VanDerWaalsContact C-N 3.32Å; A548-C550 PolarHBondContact O-N 3.18Å; A548-I551 WeakPolarHBondContact O-CB 3.28Å; A548-I551 PolarHBondContact O-N 3.49Å; A548-I551 VanDerWaalsContact O-N 3.15Å; A548-V552 VanDerWaalsContact O-CG2 3.31Å; A548-V552 WeakPolarHBondContact O-CG2 3.31Å; A548-V552 PolarHBondContact O-N 2.85Å
549A95Very high93.4Very high17 Ų1729.7 Ų29.714%0.1417%0.165CC..Hα-helixtrans-60.3-42.7175.600000111.4I476 L541 Y545 Y546 I551 V552 V553I476-A549 HydrophobicContact CD1-CB 4.04Å; L541-A549 HydrophobicContact CD2-CB 4.05Å; Y545-A549 WeakPolarHBondContact O-CB 3.39Å; Y545-A549 PolarHBondContact O-N 2.92Å; Y546-A549 PolarHBondContact O-N 2.83Å; A549-I551 VanDerWaalsContact C-N 3.31Å; A549-I551 PolarHBondContact O-N 3.46Å; A549-V552 PolarHBondContact O-N 3.49Å; A549-V553 WeakPolarHBondContact O-CB 3.32Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.41Å
550C96.4Very high94.1Very high0 Ų031.7 Ų31.70%018%0.179CC..Hα-helixtrans-62.3-38.1175.3-62.60000112.2P443 Y546 A547 A548 G554P443-C550 VanDerWaalsContact CD-SG 3.54Å; P443-C550 HydrophobicContact CG-CB 4.18Å; Y546-C550 PolarHBondContact O-N 3.28Å; Y546-C550 PolarHBondContact O-SG 2.85Å; A547-C550 PolarHBondContact O-N 3.48Å; A548-C550 VanDerWaalsContact C-N 3.32Å; A548-C550 PolarHBondContact O-N 3.18Å; C550-G554 WeakPolarHBondContact O-CA 3.44Å; C550-G554 PolarHBondContact O-N 3.07Å
551I95.8Very high94.7Very high45 Ų4532.3 Ų32.323%0.23118%0.179CC..Hα-helixtrans-66.7-48.5175.6-70.7171.8000111.1L445 T446 A547 A548 A549 V553 G554 I555L445-I551 HydrophobicContact CD2-CD1 4.02Å; L445-I551 HydrophobicContact CG-CD1 4.47Å; T446-I551 HydrophobicContact CG2-CG1 4.31Å; T446-I551 VanDerWaalsContact OG1-CG1 3.28Å; T446-I551 WeakPolarHBondContact OG1-CG1 3.27Å; T446-I551 PolarHBondContact OG1-N 3.12Å; A547-I551 WeakPolarHBondContact O-CG1 3.28Å; A547-I551 PolarHBondContact O-N 3.06Å; A547-I551 VanDerWaalsContact O-N 3.08Å; A548-I551 WeakPolarHBondContact O-CB 3.28Å; A548-I551 PolarHBondContact O-N 3.49Å; A548-I551 VanDerWaalsContact O-N 3.15Å; A549-I551 VanDerWaalsContact C-N 3.31Å; A549-I551 PolarHBondContact O-N 3.46Å; I551-V553 VanDerWaalsContact C-N 3.27Å; I551-V553 PolarHBondContact O-N 3.43Å; I551-G554 PolarHBondContact O-N 2.94Å; I551-I555 HydrophobicContact CG2-CD1 3.55Å; I551-I555 HydrophobicContact CG2-CG1 4.17Å; I551-I555 WeakPolarHBondContact O-CB 3.43Å; I551-I555 WeakPolarHBondContact O-CG1 3.38Å; I551-I555 PolarHBondContact O-N 3.44Å
552V95.7Very high95Very high105 Ų10531.4 Ų31.464%0.63617%0.174SC*.Hα-helixtrans-63.1-33.4-178.3169.80000111.8A548 A549 P556A548-V552 VanDerWaalsContact O-CG2 3.31Å; A548-V552 WeakPolarHBondContact O-CG2 3.31Å; A548-V552 PolarHBondContact O-N 2.85Å; A549-V552 PolarHBondContact O-N 3.49Å; V552-P556 WeakPolarHBondContact O-CD 3.24Å; V552-P556 WeakPolarHBondContact O-CG 3.32Å
553V97Very high95.2Very high53 Ų5333.6 Ų33.632%0.32119%0.193SC..Hα-helixtrans-84.4-46.7175.9172.50000111.6C472 A549 I551 P556 I557C472-V553 HydrophobicContact CB-CB 4.46Å; C472-V553 HydrophobicContact CB-CG1 4.29Å; A549-V553 WeakPolarHBondContact O-CB 3.32Å; A549-V553 WeakPolarHBondContact O-CG2 3.34Å; A549-V553 PolarHBondContact O-N 3.41Å; I551-V553 VanDerWaalsContact C-N 3.27Å; I551-V553 PolarHBondContact O-N 3.43Å; V553-P556 WeakPolarHBondContact O-CD 3.28Å; V553-I557 HydrophobicContact CG1-CD1 3.68Å; V553-I557 WeakPolarHBondContact O-CD1 3.39Å; V553-I557 WeakPolarHBondContact O-CG1 3.17Å; V553-I557 PolarHBondContact O-N 3.15Å
554G97.5Very high95.6Very high0 Ų039.4 Ų39.40%022%0.223CC..Hα-helixtrans-70.1-42.7-171.100000113.6T465 C550 I551 I557 G558T465-G554 PolarHBondContact OG1-O 3.4Å; C550-G554 WeakPolarHBondContact O-CA 3.44Å; C550-G554 PolarHBondContact O-N 3.07Å; I551-G554 PolarHBondContact O-N 2.94Å; G554-I557 PolarHBondContact O-N 2.96Å; G554-G558 PolarHBondContact O-N 2.99Å
555I97.4Very high95.8Very high31 Ų3142 Ų4216%0.15924%0.239CC..Hα-helixtrans-62-52.8-177.9-65.8-177.8000111.4T446 V450 F454 I551 I557 G558 F559T446-I555 HydrophobicContact CG2-CG1 3.97Å; V450-I555 HydrophobicContact CG2-CB 4.45Å; V450-I555 HydrophobicContact CG2-CD1 4.43Å; V450-I555 HydrophobicContact CG2-CG1 3.68Å; F454-I555 HydrophobicContact CE2-CD1 4.12Å; F454-I555 HydrophobicContact CE2-CG2 4.13Å; I551-I555 HydrophobicContact CG2-CD1 3.55Å; I551-I555 HydrophobicContact CG2-CG1 4.17Å; I551-I555 WeakPolarHBondContact O-CB 3.43Å; I551-I555 WeakPolarHBondContact O-CG1 3.38Å; I551-I555 PolarHBondContact O-N 3.44Å; I555-I557 VanDerWaalsContact C-N 3.31Å; I555-I557 PolarHBondContact O-N 3.3Å; I555-G558 PolarHBondContact O-N 2.92Å; I555-G558 VanDerWaalsContact O-N 3.12Å; I555-F559 HydrophobicContact CG2-CD2 3.76Å; I555-F559 HydrophobicContact CG2-CE2 3.67Å; I555-F559 WeakPolarHBondContact O-CD2 3.4Å; I555-F559 PolarHBondContact O-N 3.36Å
556P98.1Very high95.5Very high63 Ų6342 Ų4241%0.40925%0.249SC..Hα-helixtrans-58.9-41.1178.4-26.737.3000113V552 V553 G558 F559 I560V552-P556 WeakPolarHBondContact O-CD 3.24Å; V552-P556 WeakPolarHBondContact O-CG 3.32Å; V553-P556 WeakPolarHBondContact O-CD 3.28Å; P556-G558 VanDerWaalsContact C-N 3.31Å; P556-G558 PolarHBondContact O-N 3.23Å; P556-F559 PolarHBondContact O-N 3.35Å; P556-I560 VanDerWaalsContact O-CG1 3.27Å; P556-I560 WeakPolarHBondContact O-CG1 3.15Å; P556-I560 PolarHBondContact O-N 2.77Å
557I98Very high95.2Very high53 Ų5345.7 Ų45.727%0.27227%0.265SS..Hα-helixtrans-62-41.9176.3-69.7172000110.7C464 V553 G554 I555 F559 I560 I561C464-I557 HydrophobicContact CB-CG2 4.09Å; V553-I557 HydrophobicContact CG1-CD1 3.68Å; V553-I557 WeakPolarHBondContact O-CD1 3.39Å; V553-I557 WeakPolarHBondContact O-CG1 3.17Å; V553-I557 PolarHBondContact O-N 3.15Å; G554-I557 PolarHBondContact O-N 2.96Å; I555-I557 VanDerWaalsContact C-N 3.31Å; I555-I557 PolarHBondContact O-N 3.3Å; I557-F559 VanDerWaalsContact C-N 3.33Å; I557-F559 PolarHBondContact O-N 3.4Å; I557-I560 PolarHBondContact O-N 2.61Å; I557-I561 HydrophobicContact CG2-CG1 4.12Å; I557-I561 WeakPolarHBondContact O-CB 3.5Å; I557-I561 WeakPolarHBondContact O-CG1 3.14Å; I557-I561 PolarHBondContact O-N 3.21Å
558G97.4Very high94.6Very high0 Ų046.1 Ų46.10%027%0.267CS..Hα-helixtrans-56.1-46.3173.900000112.7T465 G554 I555 P556 S562T465-G558 WeakPolarHBondContact OG1-CA 3.14Å; G554-G558 PolarHBondContact O-N 2.99Å; I555-G558 PolarHBondContact O-N 2.92Å; I555-G558 VanDerWaalsContact O-N 3.12Å; P556-G558 VanDerWaalsContact C-N 3.31Å; P556-G558 PolarHBondContact O-N 3.23Å; G558-S562 VanDerWaalsContact O-CB 3.28Å; G558-S562 WeakPolarHBondContact O-CB 3.43Å; G558-S562 PolarHBondContact O-N 3.46Å; G558-S562 PolarHBondContact O-OG 3.44Å; G558-S562 VanDerWaalsContact O-OG 3.13Å
559F96.3Very high93.2Very high71 Ų7148.1 Ų48.131%0.31128%0.28SS..Hα-helixtrans-63.9-46.6175.5-85.4-78.6000112.9F454 C456 I457 I555 P556 I557 S562 A563F454-F559 HydrophobicContact CB-CZ 4.27Å; F454-F559 HydrophobicContact CD1-CE2 4.3Å; F454-F559 AromaticContact CD1-CZ 3.79Å; F454-F559 HydrophobicContact CD1-CZ 3.79Å; F454-F559 HydrophobicContact CD2-CE2 4.16Å; F454-F559 HydrophobicContact CD2-CZ 4.31Å; F454-F559 HydrophobicContact CE1-CE2 4.45Å; F454-F559 HydrophobicContact CE1-CZ 4.22Å; F454-F559 HydrophobicContact CE2-CE2 4.35Å; F454-F559 HydrophobicContact CG-CE2 4.17Å; F454-F559 AromaticContact CG-CZ 3.86Å; F454-F559 HydrophobicContact CG-CZ 3.86Å; F454-F559 HydrophobicContact CZ-CE2 4.5Å; C456-F559 WeakPolarHBondContact SG-CE1 3.16Å; I457-F559 HydrophobicContact CD1-CD1 4.38Å; I457-F559 HydrophobicContact CD1-CD2 3.84Å; I457-F559 HydrophobicContact CD1-CE1 4.39Å; I457-F559 HydrophobicContact CD1-CE2 3.83Å; I457-F559 HydrophobicContact CD1-CG 4.11Å; I457-F559 HydrophobicContact CD1-CZ 4.12Å; I457-F559 HydrophobicContact CG1-CD1 4.42Å; I457-F559 HydrophobicContact CG1-CE1 4.47Å; I555-F559 HydrophobicContact CG2-CD2 3.76Å; I555-F559 HydrophobicContact CG2-CE2 3.67Å; I555-F559 WeakPolarHBondContact O-CD2 3.4Å; I555-F559 PolarHBondContact O-N 3.36Å; P556-F559 PolarHBondContact O-N 3.35Å; I557-F559 VanDerWaalsContact C-N 3.33Å; I557-F559 PolarHBondContact O-N 3.4Å; F559-S562 PolarHBondContact O-N 3.24Å; F559-A563 WeakPolarHBondContact O-CB 3.29Å; F559-A563 PolarHBondContact O-N 2.92Å
560I97.5Very high91.6Very high96 Ų9658.2 Ų58.249%0.49231%0.314SS..Hα-helixtrans-61.4-49.8-178.9-69.3164000110.4P556 I557 A563 I564P556-I560 VanDerWaalsContact O-CG1 3.27Å; P556-I560 WeakPolarHBondContact O-CG1 3.15Å; P556-I560 PolarHBondContact O-N 2.77Å; I557-I560 PolarHBondContact O-N 2.61Å; I560-A563 WeakPolarHBondContact O-CB 3.38Å; I560-A563 PolarHBondContact O-N 3.28Å; I560-I564 HydrophobicContact CG2-CD1 3.83Å; I560-I564 WeakPolarHBondContact O-CG1 3.33Å; I560-I564 PolarHBondContact O-N 2.72Å
561I97.2Very high90.2Very high47 Ų4761.7 Ų61.724%0.24134%0.338CS..Hα-helixtrans-65.3-44.1-179.3-64.5-62.1000110.4E460 C464 I557 A563 I564 T565E460-I561 HydrophobicContact CB-CG2 4.07Å; C464-I561 HydrophobicContact CB-CB 4.25Å; C464-I561 HydrophobicContact CB-CG1 3.83Å; C464-I561 HydrophobicContact CB-CG2 4.24Å; I557-I561 HydrophobicContact CG2-CG1 4.12Å; I557-I561 WeakPolarHBondContact O-CB 3.5Å; I557-I561 WeakPolarHBondContact O-CG1 3.14Å; I557-I561 PolarHBondContact O-N 3.21Å; I561-A563 VanDerWaalsContact C-N 3.3Å; I561-A563 PolarHBondContact O-N 3.24Å; I561-I564 PolarHBondContact O-N 2.97Å; I561-T565 HydrophobicContact CG2-CG2 4.3Å; I561-T565 WeakPolarHBondContact O-CG2 3.12Å; I561-T565 PolarHBondContact O-N 3.28Å; I561-T565 PolarHBondContact O-OG1 3.12Å
562S94.8Very high89.2Confident0 Ų065.7 Ų65.70%035%0.354CS..Hα-helixtrans-61.3-38.2174.6-71.10000112.5I457 N458 G461 G558 F559 I564 T565 G566 F567I457-S562 WeakPolarHBondContact CA-OG 3.41Å; N458-S562 PolarHBondContact N-OG 3.05Å; N458-S562 WeakPolarHBondContact OD1-CA 3.23Å; N458-S562 WeakPolarHBondContact OD1-CB 3.4Å; N458-S562 PolarHBondContact OD1-OG 3.29Å; G461-S562 WeakPolarHBondContact CA-OG 3.24Å; G558-S562 VanDerWaalsContact O-CB 3.28Å; G558-S562 WeakPolarHBondContact O-CB 3.43Å; G558-S562 PolarHBondContact O-N 3.46Å; G558-S562 PolarHBondContact O-OG 3.44Å; G558-S562 VanDerWaalsContact O-OG 3.13Å; F559-S562 PolarHBondContact O-N 3.24Å; S562-I564 VanDerWaalsContact C-N 3.34Å; S562-I564 PolarHBondContact O-N 3.4Å; S562-T565 PolarHBondContact O-N 2.64Å; S562-G566 PolarHBondContact O-N 3.19Å; S562-F567 WeakPolarHBondContact O-CA 3.15Å; S562-F567 PolarHBondContact O-N 3.02Å
563A93.4Very high88.6Confident51 Ų5161.1 Ų61.142%0.42133%0.327SS..Hα-helixtrans-61.1-43.9175.700000111.8F559 I560 I561 G566 F567F559-A563 WeakPolarHBondContact O-CB 3.29Å; F559-A563 PolarHBondContact O-N 2.92Å; I560-A563 WeakPolarHBondContact O-CB 3.38Å; I560-A563 PolarHBondContact O-N 3.28Å; I561-A563 VanDerWaalsContact C-N 3.3Å; I561-A563 PolarHBondContact O-N 3.24Å; A563-G566 PolarHBondContact O-N 3.04Å; A563-F567 VanDerWaalsContact CA-CZ 3.49Å; A563-F567 HydrophobicContact CB-CE1 4.12Å; A563-F567 HydrophobicContact CB-CE2 3.91Å; A563-F567 HydrophobicContact CB-CZ 3.51Å
564I95.4Very high88.1Confident133 Ų13361.8 Ų61.868%0.68233%0.328SS*.Hα-helixtrans-69.6-35.9179.8-62.8164.5000111.6I560 I561 S562 G566I560-I564 HydrophobicContact CG2-CD1 3.83Å; I560-I564 WeakPolarHBondContact O-CG1 3.33Å; I560-I564 PolarHBondContact O-N 2.72Å; I561-I564 PolarHBondContact O-N 2.97Å; S562-I564 VanDerWaalsContact C-N 3.34Å; S562-I564 PolarHBondContact O-N 3.4Å; I564-G566 VanDerWaalsContact C-N 3.34Å
565T93.6Very high87.5Confident57 Ų5762 Ų6235%0.3533%0.33SS..Hα-helixtrans-90.36.2-179.260.20000113.8N458 E460 I561 S562N458-T565 PolarHBondContact ND2-OG1 3.28Å; N458-T565 PolarHBondContact OD1-OG1 3.32Å; E460-T565 HydrophobicContact CB-CG2 4.09Å; E460-T565 HydrophobicContact CG-CG2 4.24Å; I561-T565 HydrophobicContact CG2-CG2 4.3Å; I561-T565 WeakPolarHBondContact O-CG2 3.12Å; I561-T565 PolarHBondContact O-N 3.28Å; I561-T565 PolarHBondContact O-OG1 3.12Å; S562-T565 PolarHBondContact O-N 2.64Å
566G87.2Confident87.1Confident32 Ų3266.2 Ų66.233%0.3334%0.344SS..THydrogen-bonded Turntrans89.325.4170.800000115.8S562 A563 I564 S569S562-G566 PolarHBondContact O-N 3.19Å; A563-G566 PolarHBondContact O-N 3.04Å; I564-G566 VanDerWaalsContact C-N 3.34Å; G566-S569 WeakPolarHBondContact O-CB 3.44Å; G566-S569 PolarHBondContact O-N 3.1Å; G566-S569 PolarHBondContact O-OG 2.94Å
567F88.1Confident86.8Confident77 Ų7763.6 Ų63.634%0.33833%0.326SS..THydrogen-bonded Turntrans47-152.3-177.1-65.9-70.5000111.3C456 N458 S562 A563 S569C456-F567 HydrophobicContact CB-CD1 4.07Å; C456-F567 WeakPolarHBondContact O-CB 3.28Å; C456-F567 WeakPolarHBondContact O-CD1 3.27Å; N458-F567 WeakPolarHBondContact CB-O 3.36Å; N458-F567 PolarHBondContact ND2-O 3.3Å; S562-F567 WeakPolarHBondContact O-CA 3.15Å; S562-F567 PolarHBondContact O-N 3.02Å; A563-F567 VanDerWaalsContact CA-CZ 3.49Å; A563-F567 HydrophobicContact CB-CE1 4.12Å; A563-F567 HydrophobicContact CB-CE2 3.91Å; A563-F567 HydrophobicContact CB-CZ 3.51Å; F567-S569 PolarHBondContact O-N 2.82Å; F567-S569 VanDerWaalsContact O-N 3.17Å
568N80.5Confident86.6Confident9 Ų961.4 Ų61.45%0.04832%0.315CS..THydrogen-bonded Turntrans-82.330.6176.7-81.7-41.7000114.1P455 C456 I457 N458 R570 S571 Q596P455-N568 PolarHBondContact O-ND2 2.95Å; C456-N568 PolarHBondContact O-N 3.09Å; I457-N568 PolarHBondContact O-ND2 3.07Å; N458-N568 VanDerWaalsContact CA-OD1 3.24Å; N458-N568 WeakPolarHBondContact CA-OD1 3.3Å; N458-N568 VanDerWaalsContact CB-OD1 3.27Å; N458-N568 WeakPolarHBondContact CB-OD1 3.47Å; N568-R570 PolarHBondContact O-N 3.38Å; N568-S571 PolarHBondContact O-N 2.81Å; N568-Q596 VanDerWaalsContact CA-OE1 3.24Å; N568-Q596 VanDerWaalsContact CB-OE1 3.27Å; N568-Q596 WeakPolarHBondContact O-CG 3.44Å; N568-Q596 PolarHBondContact O-OE1 3.24Å
569S65.7Low86.4Confident70 Ų7061.5 Ų61.549%0.4932%0.315SS..THydrogen-bonded Turntrans-55.9-19.4-178.254.40000115G566 F567G566-S569 WeakPolarHBondContact O-CB 3.44Å; G566-S569 PolarHBondContact O-N 3.1Å; G566-S569 PolarHBondContact O-OG 2.94Å; F567-S569 PolarHBondContact O-N 2.82Å; F567-S569 VanDerWaalsContact O-N 3.17Å
570R60.7Low86.1Confident229 Ų22962.8 Ų62.886%0.86432%0.318SS*.THydrogen-bonded Turntrans-100.5-18.9-175.7-60.2-177.6-179-179.60114.9N568N568-R570 PolarHBondContact O-N 3.38Å
571S67.1Low85.9Confident73 Ų7360.5 Ų60.551%0.5131%0.306SS..SBendtrans-147.2132.8-17665.90000112.2N568N568-S571 PolarHBondContact O-N 2.81Å
572K74.3Confident85.5Confident130 Ų13058.5 Ų58.557%0.56530%0.296SS*.PPolyproline II helixtrans-77.1134.5-179.2-64.9-165.1169.9-170.50111.9Q596K572-Q596 CarbonylContact C-O 3.55Å; K572-Q596 WeakPolarHBondContact CA-O 3.2Å; K572-Q596 VanDerWaalsContact CB-O 3.25Å; K572-Q596 WeakPolarHBondContact CB-O 3.33Å
573V84.3Confident85.1Confident9 Ų959 Ų596%0.05530%0.298CS..BIsolated β-bridgetrans-81.3126.8176.8-177.70000110P575 L578 Q596V573-P575 WeakPolarHBondContact O-CD 3.23Å; V573-L578 HydrophobicContact CG1-CD2 4.43Å; V573-L578 HydrophobicContact CG1-CG 4.5Å; V573-Q596 PolarHBondContact N-O 2.81Å
574N86.1Confident84.8Confident66 Ų6659 Ų5935%0.35329%0.294SS..PPolyproline II helixtrans-70123.8174.4-174.5-38.1000110R576 L577N574-R576 PolarHBondContact O-N 3.42Å; N574-R576 VanDerWaalsContact O-N 3.08Å; N574-R576 WeakPolarHBondContact OD1-CB 3.44Å; N574-R576 WeakPolarHBondContact OD1-CG 3.48Å; N574-R576 PolarHBondContact OD1-N 3.28Å; N574-L577 HydrophobicContact CB-CD1 4.19Å; N574-L577 HydrophobicContact CB-CG 4.22Å; N574-L577 WeakPolarHBondContact O-CB 3.15Å; N574-L577 PolarHBondContact O-N 3.35Å
575P85.1Confident84.4Confident5 Ų557.4 Ų57.43%0.03228%0.283CS..G310 helixtrans-57-26.5-179.3-26.534.7000114.7V573 L577 L578 R583 L603V573-P575 WeakPolarHBondContact O-CD 3.23Å; P575-L577 PolarHBondContact O-N 2.88Å; P575-L577 VanDerWaalsContact O-N 3.16Å; P575-L578 PolarHBondContact O-N 3.44Å; P575-R583 WeakPolarHBondContact O-CD 3.23Å; P575-L603 HydrophobicContact CB-CD1 3.52Å; P575-L603 HydrophobicContact CG-CD1 3.68Å
576R89Confident83.9Confident120 Ų12055.9 Ų55.945%0.45327%0.271SS..G310 helixtrans-64.6-17.1178.2-59.8-179.1-169.7-162.81.7113.2N574 L578 E602N574-R576 PolarHBondContact O-N 3.42Å; N574-R576 VanDerWaalsContact O-N 3.08Å; N574-R576 WeakPolarHBondContact OD1-CB 3.44Å; N574-R576 WeakPolarHBondContact OD1-CG 3.48Å; N574-R576 PolarHBondContact OD1-N 3.28Å; R576-L578 VanDerWaalsContact C-N 3.33Å; R576-E602 IonicContact CZ-OE1 2.93Å; R576-E602 IonicContact CZ-OE2 2.82Å; R576-E602 IonicContact NE-OE1 3.37Å; R576-E602 IonicContact NE-OE2 3.93Å; R576-E602 PolarHBondContact NE-OE2 2.81Å; R576-E602 IonicContact NH2-OE1 3.93Å; R576-E602 PolarHBondContact NH2-OE1 3.49Å; R576-E602 IonicContact NH2-OE2 3.88Å; R576-E602 PolarHBondContact NH2-OE2 3.25Å
577L92.2Very high83.5Confident7 Ų761.1 Ų61.14%0.03728%0.281CS..G310 helixtrans-83.1-8.9176-56.8177.3000113.2L124 Y132 M135 R136 N574 P575L124-L577 HydrophobicContact CD1-CD2 3.86Å; L124-L577 HydrophobicContact CD2-CD2 4.04Å; Y132-L577 HydrophobicContact CD2-CD2 4.22Å; Y132-L577 HydrophobicContact CE2-CB 4Å; Y132-L577 HydrophobicContact CE2-CD2 4.15Å; Y132-L577 VanDerWaalsContact CE2-O 3.24Å; Y132-L577 WeakPolarHBondContact CE2-O 3.37Å; Y132-L577 PolarHBondContact OH-O 3.48Å; M135-L577 HydrophobicContact CB-CD1 4.18Å; M135-L577 HydrophobicContact CB-CD2 3.82Å; M135-L577 HydrophobicContact CE-CD2 4.2Å; M135-L577 WeakPolarHBondContact O-CD1 3.32Å; M135-L577 HydrophobicContact SD-CD2 4.26Å; R136-L577 HydrophobicContact CB-CD1 4.44Å; N574-L577 HydrophobicContact CB-CD1 4.19Å; N574-L577 HydrophobicContact CB-CG 4.22Å; N574-L577 WeakPolarHBondContact O-CB 3.15Å; N574-L577 PolarHBondContact O-N 3.35Å; P575-L577 PolarHBondContact O-N 2.88Å; P575-L577 VanDerWaalsContact O-N 3.16Å
578L92.9Very high83.2Confident8 Ų863.9 Ų63.94%0.04230%0.295CS..SBendtrans-102.8148.3-177.2-58.3176.6000111.2G451 I452 P455 V573 P575 R576 R583G451-L578 WeakPolarHBondContact O-CD2 3.32Å; I452-L578 WeakPolarHBondContact O-CA 3.43Å; P455-L578 HydrophobicContact CB-CD1 4.09Å; P455-L578 HydrophobicContact CB-CD2 4.48Å; V573-L578 HydrophobicContact CG1-CD2 4.43Å; V573-L578 HydrophobicContact CG1-CG 4.5Å; P575-L578 PolarHBondContact O-N 3.44Å; R576-L578 VanDerWaalsContact C-N 3.33Å; L578-R583 HydrophobicContact CB-CG 3.91Å; L578-R583 HydrophobicContact CD1-CG 4.49Å
579A93.3Very high83.1Confident1 Ų168.2 Ų68.21%0.00831%0.313CS..  trans-59.4146.116900000110.4V116 I452 F453 Q581 A582 R583V116-A579 HydrophobicContact CG1-CB 4.09Å; I452-A579 HydrophobicContact CG2-CB 3.39Å; I452-A579 PolarHBondContact O-N 3.33Å; F453-A579 HydrophobicContact CE1-CB 4.29Å; A579-Q581 PolarHBondContact O-N 3.24Å; A579-A582 HydrophobicContact CB-CB 4.3Å; A579-A582 WeakPolarHBondContact O-CB 3.03Å; A579-A582 PolarHBondContact O-N 3.26Å; A579-A582 VanDerWaalsContact O-N 3.12Å; A579-R583 WeakPolarHBondContact O-CG 3.04Å; A579-R583 PolarHBondContact O-N 3.42Å
580W90.1Very high83.1Confident98 Ų9868.9 Ų68.937%0.37132%0.316SS..Hα-helixtrans-64.4-30.8179.373.4-89.7000112.1Y115 R583 S584Y115-W580 PolarHBondContact O-NE1 2.94Å; W580-R583 PolarHBondContact O-N 3.32Å; W580-S584 WeakPolarHBondContact O-CB 3.39Å; W580-S584 PolarHBondContact O-N 2.94Å
581Q92.7Very high83.4Confident49 Ų4965.5 Ų65.523%0.22932%0.315CS..Hα-helixtrans-61.3-46.6172.5-60.587.8-21.400110.9Y115 A579 S584 F585Y115-Q581 PolarHBondContact O-NE2 3.04Å; Y115-Q581 VanDerWaalsContact O-NE2 3.1Å; A579-Q581 PolarHBondContact O-N 3.24Å; Q581-S584 PolarHBondContact O-N 2.93Å; Q581-F585 WeakPolarHBondContact O-CB 3.3Å; Q581-F585 PolarHBondContact O-N 3.09Å
582A89.1Confident83.2Confident4 Ų471 Ų713%0.03332%0.324CS..Hα-helixtrans-60.6-47.8175.800000110.5F453 A579 S584 F585 Y586F453-A582 HydrophobicContact CD1-CB 3.94Å; A579-A582 HydrophobicContact CB-CB 4.3Å; A579-A582 WeakPolarHBondContact O-CB 3.03Å; A579-A582 PolarHBondContact O-N 3.26Å; A579-A582 VanDerWaalsContact O-N 3.12Å; A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 2.75Å; A582-F585 WeakPolarHBondContact O-CB 3.1Å; A582-F585 PolarHBondContact O-N 2.71Å; A582-Y586 HydrophobicContact CB-CD2 4.41Å; A582-Y586 HydrophobicContact CB-CE2 4.1Å; A582-Y586 WeakPolarHBondContact O-CD2 3.07Å; A582-Y586 PolarHBondContact O-N 2.87Å
583R85.8Confident82.4Confident10 Ų1066.6 Ų66.64%0.03831%0.307CS..Hα-helixtrans-58.2-43.7176.6-66.9-172.9-70158.615.4112.8P575 L578 A579 W580 R587P575-R583 WeakPolarHBondContact O-CD 3.23Å; L578-R583 HydrophobicContact CB-CG 3.91Å; L578-R583 HydrophobicContact CD1-CG 4.49Å; A579-R583 WeakPolarHBondContact O-CG 3.04Å; A579-R583 PolarHBondContact O-N 3.42Å; W580-R583 PolarHBondContact O-N 3.32Å; R583-R587 WeakPolarHBondContact O-CB 3.35Å; R583-R587 PolarHBondContact O-N 3.25Å
584S87.1Confident80.9Confident51 Ų5167.4 Ų67.436%0.35731%0.313SS..Hα-helixtrans-63.1-44.2177.4-171.20000111.5W580 Q581 A582 R587 H588W580-S584 WeakPolarHBondContact O-CB 3.39Å; W580-S584 PolarHBondContact O-N 2.94Å; Q581-S584 PolarHBondContact O-N 2.93Å; A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 2.75Å; S584-R587 PolarHBondContact O-N 3.12Å; S584-H588 PolarHBondContact O-ND1 3.38Å
585F88Confident79.4Confident101 Ų10169.5 Ų69.544%0.44333%0.332SS..Hα-helixtrans-59.1-53.1176.4179.1-96.8000111.6Q581 A582 R587 H588 F589Q581-F585 WeakPolarHBondContact O-CB 3.3Å; Q581-F585 PolarHBondContact O-N 3.09Å; A582-F585 WeakPolarHBondContact O-CB 3.1Å; A582-F585 PolarHBondContact O-N 2.71Å; F585-R587 VanDerWaalsContact C-N 3.28Å; F585-R587 PolarHBondContact O-N 3.25Å; F585-H588 PolarHBondContact O-N 3.47Å; F585-H588 VanDerWaalsContact O-N 3.12Å; F585-F589 HydrophobicContact CD2-CD2 4.22Å; F585-F589 HydrophobicContact CD2-CE2 4.19Å; F585-F589 HydrophobicContact CE1-CD2 4.27Å; F585-F589 AromaticContact CE2-CD2 3.9Å; F585-F589 HydrophobicContact CE2-CD2 3.9Å; F585-F589 AromaticContact CE2-CE2 3.77Å; F585-F589 HydrophobicContact CE2-CE2 3.77Å; F585-F589 AromaticContact CZ-CD2 3.93Å; F585-F589 HydrophobicContact CZ-CD2 3.93Å; F585-F589 HydrophobicContact CZ-CE2 4.17Å; F585-F589 WeakPolarHBondContact O-CD2 3.29Å; F585-F589 PolarHBondContact O-N 2.89Å
586Y83Confident77.9Confident24 Ų2470.9 Ų70.99%0.09434%0.338CS..Hα-helixtrans-68-24.5-177.8-66.2-64.2000114F453 P455 A582 H588 F589 L593F453-Y586 VanDerWaalsContact O-CE2 3.26Å; F453-Y586 WeakPolarHBondContact O-CE2 3.44Å; F453-Y586 PolarHBondContact O-OH 3.4Å; P455-Y586 VanDerWaalsContact CD-OH 3.26Å; P455-Y586 WeakPolarHBondContact CD-OH 3.32Å; P455-Y586 HydrophobicContact CG-CD2 4.04Å; P455-Y586 HydrophobicContact CG-CE1 4.21Å; P455-Y586 HydrophobicContact CG-CE2 3.7Å; P455-Y586 HydrophobicContact CG-CG 4.5Å; A582-Y586 HydrophobicContact CB-CD2 4.41Å; A582-Y586 HydrophobicContact CB-CE2 4.1Å; A582-Y586 WeakPolarHBondContact O-CD2 3.07Å; A582-Y586 PolarHBondContact O-N 2.87Å; Y586-H588 PolarHBondContact O-N 2.93Å; Y586-F589 CarbonylContact O-C 3.17Å; Y586-F589 VanDerWaalsContact O-C 3.23Å; Y586-F589 PolarHBondContact O-N 2.85Å; Y586-L593 VanDerWaalsContact CB-CD1 3.48Å; Y586-L593 HydrophobicContact CD1-CD1 4.03Å; Y586-L593 HydrophobicContact CD2-CD1 4.21Å; Y586-L593 HydrophobicContact CG-CD1 3.65Å
587R78.2Confident76.2Confident142 Ų14266.2 Ų66.254%0.53632%0.323SS..Hα-helixtrans-60.8-34.9172.6-173.7-178-179.8149.511.3112.2R583 S584 F585 D604R583-R587 WeakPolarHBondContact O-CB 3.35Å; R583-R587 PolarHBondContact O-N 3.25Å; S584-R587 PolarHBondContact O-N 3.12Å; F585-R587 VanDerWaalsContact C-N 3.28Å; F585-R587 PolarHBondContact O-N 3.25Å; R587-D604 IonicContact CZ-OD1 3.91Å; R587-D604 IonicContact NH1-OD1 3.06Å; R587-D604 PolarHBondContact NH1-OD1 3.03Å; R587-D604 IonicContact NH2-OD1 3.86Å; R587-D604 PolarHBondContact NH2-OD1 2.9Å; R587-D604 IonicContact NH2-OD2 3.04Å
588H81.7Confident74.3Confident136 Ų13667.8 Ų67.863%0.6334%0.337SS*.Hα-helixtrans-83.1-16.7178.9-65.686.7000113S584 F585 Y586 P590S584-H588 PolarHBondContact O-ND1 3.38Å; F585-H588 PolarHBondContact O-N 3.47Å; F585-H588 VanDerWaalsContact O-N 3.12Å; Y586-H588 PolarHBondContact O-N 2.93Å; H588-P590 VanDerWaalsContact C-CD 3.44Å; H588-P590 WeakPolarHBondContact O-CD 3.25Å
589F78.2Confident72.2Confident100 Ų10073.7 Ų73.744%0.43937%0.369SS..  trans-126.764.8-179.9-60.3-76.9000110.9F585 Y586 N591 W592F585-F589 HydrophobicContact CD2-CD2 4.22Å; F585-F589 HydrophobicContact CD2-CE2 4.19Å; F585-F589 HydrophobicContact CE1-CD2 4.27Å; F585-F589 AromaticContact CE2-CD2 3.9Å; F585-F589 HydrophobicContact CE2-CD2 3.9Å; F585-F589 AromaticContact CE2-CE2 3.77Å; F585-F589 HydrophobicContact CE2-CE2 3.77Å; F585-F589 AromaticContact CZ-CD2 3.93Å; F585-F589 HydrophobicContact CZ-CD2 3.93Å; F585-F589 HydrophobicContact CZ-CE2 4.17Å; F585-F589 WeakPolarHBondContact O-CD2 3.29Å; F585-F589 PolarHBondContact O-N 2.89Å; Y586-F589 CarbonylContact O-C 3.17Å; Y586-F589 VanDerWaalsContact O-C 3.23Å; Y586-F589 PolarHBondContact O-N 2.85Å; F589-N591 PolarHBondContact O-N 3.37Å; F589-N591 VanDerWaalsContact O-N 3.14Å; F589-W592 HydrophobicContact CB-CB 4.22Å; F589-W592 HydrophobicContact CB-CG 4.25Å; F589-W592 WeakPolarHBondContact O-CB 3.3Å; F589-W592 PolarHBondContact O-N 3.17Å
590P66Low70.2Confident83 Ų8378.6 Ų78.654%0.53940%0.395SS..G310 helixtrans-60.3-29-174.322.5-32.6000113H588 W592 L593H588-P590 VanDerWaalsContact C-CD 3.44Å; H588-P590 WeakPolarHBondContact O-CD 3.25Å; P590-W592 PolarHBondContact O-N 3.44Å; P590-L593 VanDerWaalsContact O-CB 3.3Å; P590-L593 WeakPolarHBondContact O-CB 3.38Å; P590-L593 PolarHBondContact O-N 3.18Å; P590-L593 VanDerWaalsContact O-N 3.08Å
591N67.4Low68.1Low159 Ų15981.9 Ų81.985%0.8541%0.414SS*.G310 helixtrans-65.8-20.4176.3-61.8-11.6000113.5F589F589-N591 PolarHBondContact O-N 3.37Å; F589-N591 VanDerWaalsContact O-N 3.14Å
592W62.4Low65.8Low187 Ų18783.4 Ų83.471%0.70842%0.421SS*.G310 helixtrans-93.5-10.6177.9-70.854000111.9F589 P590 P594F589-W592 HydrophobicContact CB-CB 4.22Å; F589-W592 HydrophobicContact CB-CG 4.25Å; F589-W592 WeakPolarHBondContact O-CB 3.3Å; F589-W592 PolarHBondContact O-N 3.17Å; P590-W592 PolarHBondContact O-N 3.44Å; W592-P594 WeakPolarHBondContact O-CD 3.42Å
593L56.8Low63.6Low39 Ų3984.3 Ų84.320%0.20443%0.426CS..SBendtrans-78.7121.3167.1-150.563.2000106.4P455 Y586 P590 S595 T597P455-L593 HydrophobicContact CG-CD1 3.99Å; Y586-L593 VanDerWaalsContact CB-CD1 3.48Å; Y586-L593 HydrophobicContact CD1-CD1 4.03Å; Y586-L593 HydrophobicContact CD2-CD1 4.21Å; Y586-L593 HydrophobicContact CG-CD1 3.65Å; P590-L593 VanDerWaalsContact O-CB 3.3Å; P590-L593 WeakPolarHBondContact O-CB 3.38Å; P590-L593 PolarHBondContact O-N 3.18Å; P590-L593 VanDerWaalsContact O-N 3.08Å; L593-S595 PolarHBondContact O-N 2.93Å; L593-T597 HydrophobicContact CD1-CG2 4.07Å; L593-T597 HydrophobicContact CD2-CG2 4.22Å; L593-T597 WeakPolarHBondContact CD2-OG1 3.36Å; L593-T597 HydrophobicContact CG-CG2 4.13Å
594P54.6Low61.5Low26 Ų2687.4 Ų87.417%0.16944%0.443CS..  trans-54.2147.6164.2-1426.4000107.3C456 W592 Q596C456-P594 HydrophobicContact CB-CG 3.89Å; W592-P594 WeakPolarHBondContact O-CD 3.42Å; P594-Q596 HydrophobicContact CB-CB 3.98Å; P594-Q596 HydrophobicContact CB-CG 3.87Å; P594-Q596 PolarHBondContact O-N 2.93Å
595S53.3Low59.2Low109 Ų10991.8 Ų91.876%0.76246%0.458SS*.SBendtrans-59.916.7175.651.80000114.6L593L593-S595 PolarHBondContact O-N 2.93Å
596Q55Low56.9Low34 Ų3488.8 Ų88.816%0.15945%0.448CS..  trans-117.322.6-159.1-531556.500110.8N568 K572 V573 P594N568-Q596 VanDerWaalsContact CA-OE1 3.24Å; N568-Q596 VanDerWaalsContact CB-OE1 3.27Å; N568-Q596 WeakPolarHBondContact O-CG 3.44Å; N568-Q596 PolarHBondContact O-OE1 3.24Å; K572-Q596 CarbonylContact C-O 3.55Å; K572-Q596 WeakPolarHBondContact CA-O 3.2Å; K572-Q596 VanDerWaalsContact CB-O 3.25Å; K572-Q596 WeakPolarHBondContact CB-O 3.33Å; V573-Q596 PolarHBondContact N-O 2.81Å; P594-Q596 HydrophobicContact CB-CB 3.98Å; P594-Q596 HydrophobicContact CB-CG 3.87Å; P594-Q596 PolarHBondContact O-N 2.93Å
597T52.3Low54.8Low22 Ų2288.8 Ų88.814%0.13545%0.451CS..BIsolated β-bridgetrans-102.5145.4166.937.80000110.1L593L593-T597 HydrophobicContact CD1-CG2 4.07Å; L593-T597 HydrophobicContact CD2-CG2 4.22Å; L593-T597 WeakPolarHBondContact CD2-OG1 3.36Å; L593-T597 HydrophobicContact CG-CG2 4.13Å
598A51.7Low53Low41 Ų4185 Ų8534%0.33945%0.446SS..  trans-64.6152.317800000111.7
599N50.2Low51.1Low132 Ų13281.6 Ų81.671%0.70644%0.435SS*.  trans-42.5136.8-170.9-103.16.6000114.9Q601N599-Q601 PolarHBondContact O-N 3.05Å
600D50.2Low49.2Very low103 Ų10377.8 Ų77.855%0.55142%0.418SS*.THydrogen-bonded Turntrans-61.4-16.1-170.1-64.3-44.6000115.9E602 L603D600-E602 VanDerWaalsContact C-N 3.28Å; D600-E602 PolarHBondContact O-N 3.47Å; D600-L603 VanDerWaalsContact O-CB 3.23Å; D600-L603 WeakPolarHBondContact O-CB 3.28Å; D600-L603 PolarHBondContact O-N 3.11Å
601Q45.7Very low48.2Very low167 Ų16778.5 Ų78.578%0.7842%0.416SS*.Hα-helixtrans-64.2-25.8-177.7-76.5-174.3-30.900114N599N599-Q601 PolarHBondContact O-N 3.05Å
602E45.7Very low46.9Very low81 Ų8176.3 Ų76.338%0.37940%0.401SS..Hα-helixtrans-78.2-21.2170.7-81.4-156157.600113.2R576 D600 V606R576-E602 IonicContact CZ-OE1 2.93Å; R576-E602 IonicContact CZ-OE2 2.82Å; R576-E602 IonicContact NE-OE1 3.37Å; R576-E602 IonicContact NE-OE2 3.93Å; R576-E602 PolarHBondContact NE-OE2 2.81Å; R576-E602 IonicContact NH2-OE1 3.93Å; R576-E602 PolarHBondContact NH2-OE1 3.49Å; R576-E602 IonicContact NH2-OE2 3.88Å; R576-E602 PolarHBondContact NH2-OE2 3.25Å; D600-E602 VanDerWaalsContact C-N 3.28Å; D600-E602 PolarHBondContact O-N 3.47Å; E602-V606 PolarHBondContact O-N 3.46Å
603L42.7Very low45.8Very low23 Ų2372.9 Ų72.912%0.1239%0.393CS..Hα-helixtrans-69.3-38.8-178.7-13396.4000111.1P575 D600 S607P575-L603 HydrophobicContact CB-CD1 3.52Å; P575-L603 HydrophobicContact CG-CD1 3.68Å; D600-L603 VanDerWaalsContact O-CB 3.23Å; D600-L603 WeakPolarHBondContact O-CB 3.28Å; D600-L603 PolarHBondContact O-N 3.11Å; L603-S607 WeakPolarHBondContact O-CB 3.08Å; L603-S607 PolarHBondContact O-N 3Å
604D41.5Very low45.1Very low76 Ų7673.2 Ų73.241%0.40640%0.397SS..Hα-helixtrans-74.9-38.9-177.1-79-33.2000113.4R587 S608R587-D604 IonicContact CZ-OD1 3.91Å; R587-D604 IonicContact NH1-OD1 3.06Å; R587-D604 PolarHBondContact NH1-OD1 3.03Å; R587-D604 IonicContact NH2-OD1 3.86Å; R587-D604 PolarHBondContact NH2-OD1 2.9Å; R587-D604 IonicContact NH2-OD2 3.04Å; D604-S608 WeakPolarHBondContact O-CB 3.26Å; D604-S608 PolarHBondContact O-N 3.09Å; D604-S608 PolarHBondContact O-OG 2.86Å
605Q39.7Very low44.3Very low143 Ų14377.2 Ų77.267%0.66841%0.413SS*.Hα-helixtrans-69.3-37.1178.3-80.3-175-17.200112.5S608 T609Q605-S608 PolarHBondContact O-OG 2.81Å; Q605-T609 WeakPolarHBondContact O-CB 3.44Å; Q605-T609 PolarHBondContact O-N 2.74Å; Q605-T609 PolarHBondContact O-OG1 2.92Å
606V39.4Very low43.7Very low38 Ų3876.4 Ų76.423%0.2340%0.4CS..Hα-helixtrans-83.2-32.1-176.2-179.20000112.3E602 Y610E602-V606 PolarHBondContact O-N 3.46Å; V606-Y610 HydrophobicContact CG1-CD2 4.41Å; V606-Y610 VanDerWaalsContact O-CB 3.32Å; V606-Y610 WeakPolarHBondContact O-CB 3.46Å; V606-Y610 WeakPolarHBondContact O-CD2 3.18Å; V606-Y610 PolarHBondContact O-N 3.5Å
607S37.5Very low42.8Very low24 Ų2476.6 Ų76.617%0.16840%0.404CS..Hα-helixtrans-75.6-37.8176.2-81.60000112.7L603 Y610 I611L603-S607 WeakPolarHBondContact O-CB 3.08Å; L603-S607 PolarHBondContact O-N 3Å; S607-Y610 WeakPolarHBondContact O-CB 3.35Å; S607-Y610 PolarHBondContact O-N 2.94Å; S607-I611 WeakPolarHBondContact O-CG1 3.4Å; S607-I611 PolarHBondContact O-N 3.1Å
608S40.4Very low42Very low61 Ų6180.6 Ų80.643%0.42743%0.425SS..Hα-helixtrans-65.4-43.1174.459.90000111.5D604 Q605 Y610 I611 Q612D604-S608 WeakPolarHBondContact O-CB 3.26Å; D604-S608 PolarHBondContact O-N 3.09Å; D604-S608 PolarHBondContact O-OG 2.86Å; Q605-S608 PolarHBondContact O-OG 2.81Å; S608-Y610 VanDerWaalsContact C-N 3.25Å; S608-Y610 PolarHBondContact O-N 3.05Å; S608-I611 PolarHBondContact O-N 3.14Å; S608-Q612 WeakPolarHBondContact O-CB 3.34Å; S608-Q612 PolarHBondContact O-N 3.47Å
609T42.2Very low41.2Very low66 Ų6685.6 Ų85.641%0.40544%0.443SS..Hα-helixtrans-63.5-32.1172.6-45.70000111.6Q605 E613Q605-T609 WeakPolarHBondContact O-CB 3.44Å; Q605-T609 PolarHBondContact O-N 2.74Å; Q605-T609 PolarHBondContact O-OG1 2.92Å; T609-E613 HydrophobicContact CG2-CG 4.43Å; T609-E613 VanDerWaalsContact O-CB 3.23Å; T609-E613 WeakPolarHBondContact O-CB 3.29Å; T609-E613 VanDerWaalsContact O-CG 3.3Å; T609-E613 WeakPolarHBondContact O-CG 3.37Å; T609-E613 PolarHBondContact O-N 3.37Å
610Y39.2Very low40.3Very low19 Ų1987 Ų878%0.07544%0.443CS..Hα-helixtrans-72.3-44.1175.8-109.1-114.7000113.1P119 K123 L287 V606 S607 S608 Q612 E613 T614P119-Y610 HydrophobicContact CB-CE1 4.31Å; K123-Y610 HydrophobicContact CD-CE2 4.49Å; K123-Y610 WeakPolarHBondContact CE-OH 3.44Å; K123-Y610 PolarHBondContact NZ-OH 2.87Å; L287-Y610 WeakPolarHBondContact CD2-OH 3.48Å; V606-Y610 HydrophobicContact CG1-CD2 4.41Å; V606-Y610 VanDerWaalsContact O-CB 3.32Å; V606-Y610 WeakPolarHBondContact O-CB 3.46Å; V606-Y610 WeakPolarHBondContact O-CD2 3.18Å; V606-Y610 PolarHBondContact O-N 3.5Å; S607-Y610 WeakPolarHBondContact O-CB 3.35Å; S607-Y610 PolarHBondContact O-N 2.94Å; S608-Y610 VanDerWaalsContact C-N 3.25Å; S608-Y610 PolarHBondContact O-N 3.05Å; Y610-Q612 VanDerWaalsContact C-N 3.33Å; Y610-E613 PolarHBondContact O-N 3.4Å; Y610-T614 VanDerWaalsContact O-CB 3.29Å; Y610-T614 WeakPolarHBondContact O-CB 3.41Å; Y610-T614 PolarHBondContact O-N 3.47Å; Y610-T614 PolarHBondContact O-OG1 3.44Å
611I44.2Very low39.3Very low98 Ų9888 Ų8850%0.50345%0.448SS..Hα-helixtrans-64.5-44.1175.7-66.1168.2000108.6S607 S608 T614 E615S607-I611 WeakPolarHBondContact O-CG1 3.4Å; S607-I611 PolarHBondContact O-N 3.1Å; S608-I611 PolarHBondContact O-N 3.14Å; I611-T614 PolarHBondContact O-N 3.34Å; I611-E615 HydrophobicContact CG2-CG 4.13Å; I611-E615 VanDerWaalsContact O-CB 3.24Å; I611-E615 WeakPolarHBondContact O-CB 3.35Å; I611-E615 WeakPolarHBondContact O-CG 2.87Å; I611-E615 PolarHBondContact O-N 2.68Å
612Q40.1Very low38.6Very low114 Ų11485.5 Ų85.553%0.53345%0.446SS..Hα-helixtrans-61.7-45172.8-94.7179.6-29.400113S608 Y610 T614 I616S608-Q612 WeakPolarHBondContact O-CB 3.34Å; S608-Q612 PolarHBondContact O-N 3.47Å; Y610-Q612 VanDerWaalsContact C-N 3.33Å; Q612-T614 VanDerWaalsContact C-N 3.29Å; Q612-T614 PolarHBondContact O-N 2.89Å; Q612-I616 HydrophobicContact CB-CD1 4.05Å; Q612-I616 HydrophobicContact CG-CD1 4.25Å; Q612-I616 WeakPolarHBondContact O-CA 3.41Å; Q612-I616 WeakPolarHBondContact O-CB 3.28Å; Q612-I616 VanDerWaalsContact O-CD1 3.32Å; Q612-I616 WeakPolarHBondContact O-CD1 3.43Å; Q612-I616 WeakPolarHBondContact O-CG1 3.42Å; Q612-I616 PolarHBondContact O-N 3.29Å
613E40.7Very low37.8Very low114 Ų11492.2 Ų92.253%0.53347%0.468SS..Hα-helixtrans-67.6-30.3178.1-81.6-177165.400112.5T609 Y610 S617T609-E613 HydrophobicContact CG2-CG 4.43Å; T609-E613 VanDerWaalsContact O-CB 3.23Å; T609-E613 WeakPolarHBondContact O-CB 3.29Å; T609-E613 VanDerWaalsContact O-CG 3.3Å; T609-E613 WeakPolarHBondContact O-CG 3.37Å; T609-E613 PolarHBondContact O-N 3.37Å; Y610-E613 PolarHBondContact O-N 3.4Å; E613-S617 WeakPolarHBondContact O-CB 3.25Å; E613-S617 PolarHBondContact O-N 3.01Å; E613-S617 VanDerWaalsContact O-N 3.1Å
614T40.9Very low37.4Very low47 Ų4796.1 Ų96.129%0.28849%0.487SS..Hα-helixtrans-79.4-46.4177.9-42.90000110.3Y610 I611 Q612 S617 D618Y610-T614 VanDerWaalsContact O-CB 3.29Å; Y610-T614 WeakPolarHBondContact O-CB 3.41Å; Y610-T614 PolarHBondContact O-N 3.47Å; Y610-T614 PolarHBondContact O-OG1 3.44Å; I611-T614 PolarHBondContact O-N 3.34Å; Q612-T614 VanDerWaalsContact C-N 3.29Å; Q612-T614 PolarHBondContact O-N 2.89Å; T614-S617 PolarHBondContact O-N 2.98Å; T614-D618 WeakPolarHBondContact O-CB 3.49Å; T614-D618 VanDerWaalsContact O-CG 3.28Å; T614-D618 PolarHBondContact O-N 2.86Å
615E38.4Very low36.8Very low110 Ų110100 Ų10051%0.51450%0.503SS..Hα-helixtrans-66.1-42175.5-76.2-176.3157.300112.6I611 S617 D618 M619I611-E615 HydrophobicContact CG2-CG 4.13Å; I611-E615 VanDerWaalsContact O-CB 3.24Å; I611-E615 WeakPolarHBondContact O-CB 3.35Å; I611-E615 WeakPolarHBondContact O-CG 2.87Å; I611-E615 PolarHBondContact O-N 2.68Å; E615-S617 VanDerWaalsContact C-N 3.31Å; E615-S617 PolarHBondContact O-N 3.32Å; E615-D618 PolarHBondContact O-N 3.38Å; E615-M619 HydrophobicContact CB-CE 3.95Å; E615-M619 VanDerWaalsContact O-CB 3.26Å; E615-M619 WeakPolarHBondContact O-CB 3.31Å; E615-M619 PolarHBondContact O-N 3.45Å
616I40.6Very low36.5Very low92 Ų9296.7 Ų96.747%0.47250%0.5SS..Hα-helixtrans-71.1-28.8176.1-62.8165.8000110.8Q612Q612-I616 HydrophobicContact CB-CD1 4.05Å; Q612-I616 HydrophobicContact CG-CD1 4.25Å; Q612-I616 WeakPolarHBondContact O-CA 3.41Å; Q612-I616 WeakPolarHBondContact O-CB 3.28Å; Q612-I616 VanDerWaalsContact O-CD1 3.32Å; Q612-I616 WeakPolarHBondContact O-CD1 3.43Å; Q612-I616 WeakPolarHBondContact O-CG1 3.42Å; Q612-I616 PolarHBondContact O-N 3.29Å
617S36.6Very low36.3Very low37 Ų37100.3 Ų100.326%0.25952%0.522SS..Hα-helixtrans-75.8-32.3174178.40000112.8K288 E613 T614 E615K288-S617 PolarHBondContact NZ-OG 2.92Å; E613-S617 WeakPolarHBondContact O-CB 3.25Å; E613-S617 PolarHBondContact O-N 3.01Å; E613-S617 VanDerWaalsContact O-N 3.1Å; T614-S617 PolarHBondContact O-N 2.98Å; E615-S617 VanDerWaalsContact C-N 3.31Å; E615-S617 PolarHBondContact O-N 3.32Å
618D35.2Very low36.1Very low106 Ų106104.8 Ų104.857%0.56754%0.543SS*.Hα-helixtrans-91.3-22.1-178.2-67.6-17.4000112.6T614 E615 K620T614-D618 WeakPolarHBondContact O-CB 3.49Å; T614-D618 VanDerWaalsContact O-CG 3.28Å; T614-D618 PolarHBondContact O-N 2.86Å; E615-D618 PolarHBondContact O-N 3.38Å; D618-K620 VanDerWaalsContact C-N 3.28Å; D618-K620 PolarHBondContact O-N 2.67Å
619M33.4Very low35.8Very low147 Ų147108.5 Ų108.572%0.72456%0.558SS**SBendtrans-74.4-11.4169.8-95.7-177.3-91.500114.3E615 L621E615-M619 HydrophobicContact CB-CE 3.95Å; E615-M619 VanDerWaalsContact O-CB 3.26Å; E615-M619 WeakPolarHBondContact O-CB 3.31Å; E615-M619 PolarHBondContact O-N 3.45Å; M619-L621 VanDerWaalsContact C-N 3.27Å; M619-L621 PolarHBondContact O-N 2.96Å
620K31.5Very low35.4Very low161 Ų161116.1 Ų116.170%0.758%0.58SS**  trans-9355.7172-71.2-172.8-179.71800111.5D618 P622D618-K620 VanDerWaalsContact C-N 3.28Å; D618-K620 PolarHBondContact O-N 2.67Å; K620-P622 VanDerWaalsContact O-CD 3.27Å; K620-P622 WeakPolarHBondContact O-CD 3.5Å
621L30.1Very low35Very low124 Ų124124.2 Ų124.265%0.64962%0.615SS**  trans-95.891.3153-146.793000107.5M619 R623 I624M619-L621 VanDerWaalsContact C-N 3.27Å; M619-L621 PolarHBondContact O-N 2.96Å; L621-R623 PolarHBondContact O-N 3.07Å; L621-I624 HydrophobicContact CD2-CD1 4.14Å; L621-I624 HydrophobicContact CD2-CG1 4.35Å
622P29.9Very low34.3Very low114 Ų114127 Ų12774%0.7463%0.63SS**THydrogen-bonded Turntrans-69.9124.217330.2-29.8000107.4K620K620-P622 VanDerWaalsContact O-CD 3.27Å; K620-P622 WeakPolarHBondContact O-CD 3.5Å
623R29.5Very low33.8Very low222 Ų222129.4 Ų129.484%0.83865%0.645SS**THydrogen-bonded Turntrans100.937.1162.6-53.7177.9170.9-173.2-3.3119.9L621L621-R623 PolarHBondContact O-N 3.07Å
624I34.1Very low33.3Very low105 Ų105129.2 Ų129.254%0.53865%0.653SS.*SBendtrans-126.1-28.9156.9-57.5-176000113.4L621 A626L621-I624 HydrophobicContact CD2-CD1 4.14Å; L621-I624 HydrophobicContact CD2-CG1 4.35Å; I624-A626 PolarHBondContact O-N 3.2Å
625Q29.1Very low32.7Very low158 Ų158132.2 Ų132.274%0.73868%0.677SS**Hα-helixtrans-74.5-21.8176.6-133.984.17.200114.8
626A33.5Very low32.4Very low73 Ų73133.3 Ų133.360%0.60369%0.691SS**Hα-helixtrans-84.4-7.2-176.700000114.5I624I624-A626 PolarHBondContact O-N 3.2Å
627V35.8Very low31.7Very low115 Ų115137.3 Ų137.370%0.69771%0.707SS**Hα-helixtrans-99.6-19.6178.1178.70000111.7
628I33.5Very low31.4Very low118 Ų118142.9 Ų142.961%0.60573%0.734SS**Hα-helixtrans-91.5-31.1-179.4-63.8174.7000111.7R630I628-R630 VanDerWaalsContact C-N 3.33Å; I628-R630 PolarHBondContact O-N 3.02Å
629N33.6Very low31Very low138 Ų138144.7 Ų144.774%0.73874%0.744SS**THydrogen-bonded Turntrans-87.412.5178.5-77.60.1000115.3
630R32.7Very low30.7Very low227 Ų227146.3 Ų146.386%0.85775%0.75SS**THydrogen-bonded Turntrans-110.212.4178.8-105.5-175.2-174.6-170.41.8115I628I628-R630 VanDerWaalsContact C-N 3.33Å; I628-R630 PolarHBondContact O-N 3.02Å
631K32.2Very low30.6Very low189 Ų189144 Ų14482%0.82275%0.754SS**SBendtrans-133.87.8-178.2-91-168.1174.7-172.60117.6
632L27.9Very low30.7Very low156 Ų156147.8 Ų147.882%0.81777%0.765SS**  trans-143.970.4-178.4-84.8159.7000112.5
633I31Very low30.5Very low164 Ų164149.7 Ų149.784%0.84177%0.769SS**  trans-150.4108.1147.7-54.5-177.5000107.7
634P29.8Very low30.4Very low110 Ų110144 Ų14471%0.71476%0.763SS**  trans-88138.2153.826.4-13.1000110.3
635S27.8Very low30.3Very low111 Ų111145.4 Ų145.478%0.77678%0.777SS**  trans-20.8128.6161.850.80000118.2
636V31.7Very low30.3Very low133 Ų133144.8 Ų144.881%0.80678%0.777SS**  trans-165.9102.2144.4179.50000105
637E27.4Very low30.1Very low176 Ų176152.7 Ų152.782%0.82279%0.793SS**  5811373.2-138.2169.2-147.400114.4
638N30Very low29.9Very low153 Ų153155.3 Ų155.382%0.81880%0.797SS**  trans157.992.7162.3-84.2-12000106.4
639D27.4Very low29.8Very low144 Ų144159 Ų15977%0.7781%0.809SS**  47.9115.973.7-92.1-10.3000115.8
640E26.5Very low29.8Very low182 Ų182159.3 Ų159.385%0.8581%0.811SS**  trans56.3105.8149.5-60.9-172.2154.600119.7
641S30Very low30Very low112 Ų112158 Ų15878%0.78381%0.814SS**  -154.6116.8125.355.80000114
642K30.4Very low30.5Very low204 Ų204157.2 Ų157.289%0.88782%0.818SS**  trans76.993.9136.1-66.6-177.5177.7-179.70119.8
643D27.4Very low31Very low153 Ų153162 Ų16282%0.81884%0.839SS**  trans-43.9155.1136.3-88.8-43.2000115.3
644S27.8Very low31Very low104 Ų104161.9 Ų161.973%0.72784%0.839SS**  trans79.5100.5155.273.30000118.1
645T30.5Very low31.1Very low134 Ų134164.6 Ų164.682%0.82285%0.846SS**  -168.9105.6101.9-9.30000111.9
646I29.7Very low31.3Very low145 Ų145167.6 Ų167.674%0.74485%0.85SS**  20.4109.9129-54.9171.2000116.2
647Y30Very low31.2Very low239 Ų239169.6 Ų169.694%0.93785%0.852SS**  trans-136.1108.6137-105.9-84.7000109
648Q30.1Very low31.5Very low169 Ų169169.2 Ų169.279%0.7985%0.854SS**  trans-118.3114.8175.5-166.6-174.910.800107.2
649K33.1Very low31.6Very low196 Ų196170.3 Ų170.385%0.85286%0.856SS**  trans-178.199.6148.3-111.4179.5172.5179.80106.9
650N33.6Very low31.9Very low144 Ų144172.1 Ų172.177%0.7786%0.863SS**  56.910794.9-76.2-1.6000112.7
651E36.8Very low32.3Very low200 Ų200171.4 Ų171.494%0.93586%0.864SS**  -156.9127.3106.8-107.1175.9-179.500110.2
652L41Very low32.5Very low172 Ų172176.3 Ų176.390%0.90187%0.87SS**  trans-97.7134171.7-120.3147.5000106.3
653M39.3Very low32.6Very low256 Ų256173.8 Ų173.8100%1.26187%0.869SS**  trans-127.40148.3-139.1-170.3-141.500107.7

Retrieved 653 of 653 residues in 796.6 ms (Link to these results)

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