G4V740_SCHMA Loading...

Putative aquaporin-3

AlphaFold DB , UniProt , Accession G4V740, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 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
1M53.1Low75.6Confident211 Ų211106.6 Ų106.6100%1.03952%0.518SS*.  0120.30-106.2164.3167.300107.7D5M1-D5 HydrophobicContact CG-CB 4.43Å
2G57.8Low76.6Confident38 Ų38106.2 Ų106.239%0.39251%0.514SS..  trans-64.1149.1174.200000109.5T4 D5G2-T4 PolarHBondContact O-N 2.98Å; G2-D5 PolarHBondContact O-N 3.41Å
3R57.6Low77.3Confident223 Ų223108 Ų10884%0.84251%0.512SS*.G310 helixtrans-50.1-27.1176.3-153.3177.1-171.4171.82111.9T6R3-T6 PolarHBondContact O-OG1 3.11Å
4T60.1Low78Confident74 Ų74113.6 Ų113.645%0.45453%0.526SS..G310 helixtrans-65.5-28.6175.953.20000115.5G2 T6 R13G2-T4 PolarHBondContact O-N 2.98Å; T4-T6 VanDerWaalsContact C-N 3.35Å; T4-R13 PolarHBondContact O-NH2 3.26Å
5D75.3Confident78.8Confident82 Ų82113.6 Ų113.644%0.43953%0.526SS..G310 helixtrans-89.8-5.8-173.8-60-28.9000113.3M1 G2 R10M1-D5 HydrophobicContact CG-CB 4.43Å; G2-D5 PolarHBondContact O-N 3.41Å; D5-R10 PolarHBondContact O-NH1 3.16Å
6T86.9Confident79.4Confident51 Ų51113.3 Ų113.331%0.31353%0.525SS..SBendtrans-68.9158.7173.366.60000111R3 T4 E8 G9 R10R3-T6 PolarHBondContact O-OG1 3.11Å; T4-T6 VanDerWaalsContact C-N 3.35Å; T6-E8 VanDerWaalsContact C-N 3.25Å; T6-E8 PolarHBondContact O-N 3.35Å; T6-G9 PolarHBondContact O-N 3.16Å; T6-G9 PolarHBondContact OG1-N 2.85Å; T6-R10 PolarHBondContact O-N 2.79Å; T6-R10 VanDerWaalsContact O-N 3.08Å
7F88.5Confident79.9Confident149 Ų149110.2 Ų110.265%0.65452%0.519SS*.Hα-helixtrans-57.6-41.6171.9172.9-98000111.4R10 L11F7-R10 PolarHBondContact O-N 2.81Å; F7-L11 HydrophobicContact CE1-CD2 4.44Å; F7-L11 PolarHBondContact O-N 3.48Å
8E88.3Confident80.3Confident136 Ų136110.1 Ų110.164%0.63652%0.521SS*.Hα-helixtrans-57.7-51.2175.1-64.6175.9173.200111.2T6 R10 L11 E12T6-E8 VanDerWaalsContact C-N 3.25Å; T6-E8 PolarHBondContact O-N 3.35Å; E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.31Å; E8-L11 PolarHBondContact O-N 3.05Å; E8-E12 WeakPolarHBondContact O-CG 3.27Å; E8-E12 PolarHBondContact O-N 3.08Å
9G87.5Confident80.5Confident5 Ų5105.9 Ų105.95%0.05251%0.508CS..Hα-helixtrans-63.8-26.6178.300000114.1T6 R13T6-G9 PolarHBondContact O-N 3.16Å; T6-G9 PolarHBondContact OG1-N 2.85Å; G9-R13 WeakPolarHBondContact O-CG 3.27Å; G9-R13 PolarHBondContact O-N 3.39Å; G9-R13 PolarHBondContact O-NE 3.02Å
10R86.6Confident80.8Confident128 Ų128105.1 Ų105.148%0.48351%0.506SS..Hα-helixtrans-75.1-40.7170.1-73.3-166.6-68.2-89.9-0.9112.1D5 T6 F7 E8 R14D5-R10 PolarHBondContact O-NH1 3.16Å; T6-R10 PolarHBondContact O-N 2.79Å; T6-R10 VanDerWaalsContact O-N 3.08Å; F7-R10 PolarHBondContact O-N 2.81Å; E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.31Å; R10-R14 WeakPolarHBondContact O-CG 3.31Å; R10-R14 PolarHBondContact O-N 3.19Å; R10-R14 VanDerWaalsContact O-N 3.08Å
11L89.5Confident80.9Confident76 Ų76107.9 Ų107.940%0.39852%0.516SS..Hα-helixtrans-65.2-47.3177.2179.560.5000111.2F7 E8 R13 R14 Q15F7-L11 HydrophobicContact CE1-CD2 4.44Å; F7-L11 PolarHBondContact O-N 3.48Å; E8-L11 PolarHBondContact O-N 3.05Å; L11-R13 PolarHBondContact O-N 3.03Å; L11-R14 WeakPolarHBondContact O-CB 3Å; L11-R14 PolarHBondContact O-N 3.16Å; L11-R14 VanDerWaalsContact O-N 3.12Å; L11-Q15 HydrophobicContact CD1-CG 4.33Å; L11-Q15 HydrophobicContact CG-CG 4.49Å; L11-Q15 WeakPolarHBondContact O-CG 3.3Å; L11-Q15 PolarHBondContact O-N 3.42Å
12E88.3Confident82.4Confident101 Ų101104.1 Ų104.147%0.47250%0.499SS..Hα-helixtrans-55.5-49.3175.8-73.8177.4168.100110.9E8 R14 Q15 H16E8-E12 WeakPolarHBondContact O-CG 3.27Å; E8-E12 PolarHBondContact O-N 3.08Å; E12-R14 VanDerWaalsContact C-N 3.32Å; E12-R14 PolarHBondContact O-N 3.06Å; E12-Q15 PolarHBondContact O-N 3.44Å; E12-Q15 VanDerWaalsContact O-N 3.16Å; E12-H16 WeakPolarHBondContact O-CB 3.5Å; E12-H16 PolarHBondContact O-CD2 3.22Å; E12-H16 PolarHBondContact O-N 3.26Å
13R85.5Confident83.7Confident130 Ų130108.6 Ų108.649%0.49150%0.504SS..Hα-helixtrans-60.7-38.7176.8-77.9-174.5-70-168.63.6113T4 G9 L11 S17T4-R13 PolarHBondContact O-NH2 3.26Å; G9-R13 WeakPolarHBondContact O-CG 3.27Å; G9-R13 PolarHBondContact O-N 3.39Å; G9-R13 PolarHBondContact O-NE 3.02Å; L11-R13 PolarHBondContact O-N 3.03Å; R13-S17 VanDerWaalsContact O-CB 3.26Å; R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 2.92Å
14R87.7Confident84.9Confident187 Ų187100.9 Ų100.971%0.70648%0.479SS*.Hα-helixtrans-65-44.4174.8-77-177.4172.8-154.9-1.1111.1R10 L11 E12 S17 L18R10-R14 WeakPolarHBondContact O-CG 3.31Å; R10-R14 PolarHBondContact O-N 3.19Å; R10-R14 VanDerWaalsContact O-N 3.08Å; L11-R14 WeakPolarHBondContact O-CB 3Å; L11-R14 PolarHBondContact O-N 3.16Å; L11-R14 VanDerWaalsContact O-N 3.12Å; E12-R14 VanDerWaalsContact C-N 3.32Å; E12-R14 PolarHBondContact O-N 3.06Å; R14-S17 PolarHBondContact O-N 3.33Å; R14-L18 WeakPolarHBondContact O-CB 3.14Å; R14-L18 VanDerWaalsContact O-CG 3.26Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.23Å
15Q89.6Confident85.7Confident113 Ų113102.3 Ų102.353%0.52848%0.484SS..Hα-helixtrans-62.3-46.3176.5-72.3174-28.200111.5L11 E12 L18 A19L11-Q15 HydrophobicContact CD1-CG 4.33Å; L11-Q15 HydrophobicContact CG-CG 4.49Å; L11-Q15 WeakPolarHBondContact O-CG 3.3Å; L11-Q15 PolarHBondContact O-N 3.42Å; E12-Q15 PolarHBondContact O-N 3.44Å; E12-Q15 VanDerWaalsContact O-N 3.16Å; Q15-L18 PolarHBondContact O-N 2.93Å; Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.05Å
16H88Confident86.1Confident109 Ų109110 Ų11051%0.50551%0.507SS..Hα-helixtrans-61.5-45.1175.7-77.4-67000112E12 L18 A19 D20E12-H16 WeakPolarHBondContact O-CB 3.5Å; E12-H16 PolarHBondContact O-CD2 3.22Å; E12-H16 PolarHBondContact O-N 3.26Å; H16-L18 PolarHBondContact O-N 3.24Å; H16-A19 PolarHBondContact O-N 3.24Å; H16-D20 WeakPolarHBondContact O-CB 2.82Å; H16-D20 VanDerWaalsContact O-CG 3.29Å; H16-D20 PolarHBondContact O-N 2.92Å
17S87.4Confident86.2Confident60 Ų60110 Ų11042%0.4251%0.508SS..Hα-helixtrans-63.6-40177.4-177.20000112.5R13 R14 K21R13-S17 VanDerWaalsContact O-CB 3.26Å; R13-S17 WeakPolarHBondContact O-CB 3.49Å; R13-S17 PolarHBondContact O-N 2.92Å; R14-S17 PolarHBondContact O-N 3.33Å; S17-K21 WeakPolarHBondContact O-CG 3.45Å; S17-K21 PolarHBondContact O-N 3.24Å
18L87.4Confident86.2Confident108 Ų108106.5 Ų106.557%0.56550%0.5SS*.Hα-helixtrans-66.7-43174.3-72.2172000111.4R14 Q15 H16 D20 K21 I22R14-L18 WeakPolarHBondContact O-CB 3.14Å; R14-L18 VanDerWaalsContact O-CG 3.26Å; R14-L18 WeakPolarHBondContact O-CG 3.47Å; R14-L18 PolarHBondContact O-N 3.23Å; Q15-L18 PolarHBondContact O-N 2.93Å; H16-L18 PolarHBondContact O-N 3.24Å; L18-D20 PolarHBondContact O-N 3.48Å; L18-K21 PolarHBondContact O-N 3.25Å; L18-I22 PolarHBondContact O-N 2.86Å
19A85.3Confident86.4Confident32 Ų32103 Ų10326%0.26448%0.483SS..Hα-helixtrans-60.3-45175.600000111.1Q15 H16 K21 I22 R23Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.37Å; Q15-A19 PolarHBondContact O-N 3.05Å; H16-A19 PolarHBondContact O-N 3.24Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.47Å; A19-I22 VanDerWaalsContact O-CG1 3.26Å; A19-I22 WeakPolarHBondContact O-CG1 3.27Å; A19-I22 PolarHBondContact O-N 3Å; A19-I22 VanDerWaalsContact O-N 3.1Å; A19-R23 VanDerWaalsContact O-CG 3.27Å; A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.95Å
20D84.8Confident86.6Confident88 Ų88107.2 Ų107.247%0.47150%0.503SS..Hα-helixtrans-60.8-33.5178.3-75.4-27.9000112.9H16 L18 R23H16-D20 WeakPolarHBondContact O-CB 2.82Å; H16-D20 VanDerWaalsContact O-CG 3.29Å; H16-D20 PolarHBondContact O-N 2.92Å; L18-D20 PolarHBondContact O-N 3.48Å; D20-R23 WeakPolarHBondContact OD1-CD 3.49Å; D20-R23 IonicContact OD1-CZ 3.78Å; D20-R23 IonicContact OD1-NE 3.6Å; D20-R23 PolarHBondContact OD1-NE 3.21Å; D20-R23 IonicContact OD1-NH1 3.24Å; D20-R23 PolarHBondContact OD1-NH1 2.82Å
21K82.8Confident87Confident164 Ų164105.9 Ų105.971%0.71350%0.498SS*.Hα-helixtrans-69.1-30.6175.8-72.2173.4-177-1770113.5S17 L18 A19S17-K21 WeakPolarHBondContact O-CG 3.45Å; S17-K21 PolarHBondContact O-N 3.24Å; L18-K21 PolarHBondContact O-N 3.25Å; A19-K21 VanDerWaalsContact C-N 3.25Å; A19-K21 PolarHBondContact O-N 3.47Å
22I86.3Confident87.3Confident133 Ų133102.5 Ų102.568%0.68248%0.482SS*.Hα-helixtrans-98.3-9.4-178.767.9175.9000113.2L18 A19 L24L18-I22 PolarHBondContact O-N 2.86Å; A19-I22 VanDerWaalsContact O-CG1 3.26Å; A19-I22 WeakPolarHBondContact O-CG1 3.27Å; A19-I22 PolarHBondContact O-N 3Å; A19-I22 VanDerWaalsContact O-N 3.1Å; I22-L24 PolarHBondContact O-N 3.14Å
23R85.2Confident87.7Confident132 Ų13298.5 Ų98.550%0.49847%0.465SS..  trans-61.3120.2-178.4-89.4174.3-173.4-177.4-7.1111.3A19 D20 N25A19-R23 VanDerWaalsContact O-CG 3.27Å; A19-R23 WeakPolarHBondContact O-CG 3.31Å; A19-R23 PolarHBondContact O-N 2.95Å; D20-R23 WeakPolarHBondContact OD1-CD 3.49Å; D20-R23 IonicContact OD1-CZ 3.78Å; D20-R23 IonicContact OD1-NE 3.6Å; D20-R23 PolarHBondContact OD1-NE 3.21Å; D20-R23 IonicContact OD1-NH1 3.24Å; D20-R23 PolarHBondContact OD1-NH1 2.82Å; R23-N25 PolarHBondContact O-N 3.03Å; R23-N25 VanDerWaalsContact O-N 3.09Å
24L80.9Confident88.2Confident60 Ų6096.5 Ų96.531%0.31446%0.463SS..G310 helixtrans-82.628.2176.8-62.2174.2000113.5I22 R26 C27 I30 R31 L34I22-L24 PolarHBondContact O-N 3.14Å; L24-R26 PolarHBondContact O-N 2.81Å; L24-C27 CarbonylContact O-C 3.6Å; L24-C27 PolarHBondContact O-N 2.77Å; L24-I30 HydrophobicContact CD1-CG2 3.98Å; L24-I30 HydrophobicContact CD2-CG2 4.46Å; L24-R31 HydrophobicContact CB-CB 4.14Å; L24-L34 HydrophobicContact CD1-CD2 4.18Å
25N78Confident88.7Confident105 Ų10588.1 Ų88.156%0.56143%0.434SS*.G310 helixtrans-59.6-31.4-176.9-73.3-15.2000112.8R23 C27R23-N25 PolarHBondContact O-N 3.03Å; R23-N25 VanDerWaalsContact O-N 3.09Å; N25-C27 VanDerWaalsContact C-N 3.34Å
26R83.8Confident89.1Confident243 Ų24382.7 Ų82.792%0.91741%0.409SS*.G310 helixtrans-84.4-7.1177.1-60.7-171.6-178.2-167.90.7113.7L24 P28L24-R26 PolarHBondContact O-N 2.81Å; R26-P28 VanDerWaalsContact C-CD 3.46Å; R26-P28 WeakPolarHBondContact O-CD 3.31Å
27C88.4Confident89.6Confident51 Ų5180.2 Ų80.235%0.34540%0.397SS..  trans-127.162.8-175.5-60.80000110.8L24 N25 F29 I30 R31L24-C27 CarbonylContact O-C 3.6Å; L24-C27 PolarHBondContact O-N 2.77Å; N25-C27 VanDerWaalsContact C-N 3.34Å; C27-F29 PolarHBondContact O-N 2.64Å; C27-F29 VanDerWaalsContact O-N 3.12Å; C27-I30 HydrophobicContact CB-CB 4.04Å; C27-I30 HydrophobicContact CB-CD1 3.93Å; C27-I30 HydrophobicContact CB-CG1 4.09Å; C27-I30 PolarHBondContact O-N 3.29Å; C27-R31 PolarHBondContact O-N 3.41Å
28P89.1Confident90.1Very high75 Ų7579.7 Ų79.749%0.48739%0.392SS..Hα-helixtrans-58.5-31-174.323.9-34.7000112.8R26 A32R26-P28 VanDerWaalsContact C-CD 3.46Å; R26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-A32 WeakPolarHBondContact O-CB 3.49Å; P28-A32 PolarHBondContact O-N 2.87Å
29F92Very high90.7Very high64 Ų6474.6 Ų74.628%0.28137%0.365SS..Hα-helixtrans-66.8-45.8175.6177.3-124.7000113C27 R31 A32 C33 R111 F114 Y115C27-F29 PolarHBondContact O-N 2.64Å; C27-F29 VanDerWaalsContact O-N 3.12Å; F29-R31 VanDerWaalsContact C-N 3.32Å; F29-R31 PolarHBondContact O-N 2.92Å; F29-A32 WeakPolarHBondContact O-CB 3.38Å; F29-A32 PolarHBondContact O-N 3.13Å; F29-A32 VanDerWaalsContact O-N 3.16Å; F29-C33 PolarHBondContact O-N 3.29Å; F29-C33 PolarHBondContact O-SG 2.86Å; F29-R111 HydrophobicContact CD2-CG 4.03Å; F29-R111 HydrophobicContact CE2-CB 3.83Å; F29-R111 HydrophobicContact CE2-CG 3.52Å; F29-R111 HydrophobicContact CZ-CB 4.48Å; F29-R111 HydrophobicContact CZ-CG 4.23Å; F29-F114 HydrophobicContact CE1-CB 4.37Å; F29-F114 HydrophobicContact CE1-CD1 4.43Å; F29-F114 HydrophobicContact CE1-CD2 4.21Å; F29-F114 HydrophobicContact CE1-CG 4.09Å; F29-F114 HydrophobicContact CE2-CB 4.32Å; F29-F114 HydrophobicContact CZ-CB 3.56Å; F29-F114 HydrophobicContact CZ-CD1 4.35Å; F29-F114 AromaticContact CZ-CD2 3.63Å; F29-F114 HydrophobicContact CZ-CD2 3.63Å; F29-F114 HydrophobicContact CZ-CE2 4.39Å; F29-F114 AromaticContact CZ-CG 3.59Å; F29-F114 HydrophobicContact CZ-CG 3.59Å; F29-Y115 HydrophobicContact CD2-CE2 4.47Å; F29-Y115 HydrophobicContact CE2-CD2 4.36Å; F29-Y115 HydrophobicContact CE2-CE2 4.09Å
30I92.9Very high91.3Very high92 Ų9273 Ų7347%0.47235%0.353SS..Hα-helixtrans-64.6-41.5176.9-58.9180000109.8L24 C27 A32 C33 L34L24-I30 HydrophobicContact CD1-CG2 3.98Å; L24-I30 HydrophobicContact CD2-CG2 4.46Å; C27-I30 HydrophobicContact CB-CB 4.04Å; C27-I30 HydrophobicContact CB-CD1 3.93Å; C27-I30 HydrophobicContact CB-CG1 4.09Å; C27-I30 PolarHBondContact O-N 3.29Å; I30-A32 PolarHBondContact O-N 3.43Å; I30-C33 PolarHBondContact O-N 3.3Å; I30-L34 PolarHBondContact O-N 3.46Å
31R93.7Very high92Very high100 Ų10069.3 Ų69.338%0.37733%0.334SS..Hα-helixtrans-57.3-40.7173.9-173.7177.568.5-163.22.1111.6L24 C27 F29 L34 A35L24-R31 HydrophobicContact CB-CB 4.14Å; C27-R31 PolarHBondContact O-N 3.41Å; F29-R31 VanDerWaalsContact C-N 3.32Å; F29-R31 PolarHBondContact O-N 2.92Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-A35 WeakPolarHBondContact O-CB 3.32Å; R31-A35 PolarHBondContact O-N 3.25Å
32A95.7Very high92.7Very high6 Ų662.9 Ų62.95%0.0531%0.307CS..Hα-helixtrans-68.5-4217800000113P28 F29 I30 L34 A35 E36 G88 Y115P28-A32 WeakPolarHBondContact O-CB 3.49Å; P28-A32 PolarHBondContact O-N 2.87Å; F29-A32 WeakPolarHBondContact O-CB 3.38Å; F29-A32 PolarHBondContact O-N 3.13Å; F29-A32 VanDerWaalsContact O-N 3.16Å; I30-A32 PolarHBondContact O-N 3.43Å; A32-L34 VanDerWaalsContact C-N 3.32Å; A32-L34 PolarHBondContact O-N 3.11Å; A32-A35 WeakPolarHBondContact O-CB 3.27Å; A32-A35 PolarHBondContact O-N 2.85Å; A32-E36 WeakPolarHBondContact O-CG 3.24Å; A32-E36 PolarHBondContact O-N 3.44Å; A32-G88 WeakPolarHBondContact CA-O 3.27Å; A32-G88 WeakPolarHBondContact CB-O 3.26Å; A32-G88 PolarHBondContact N-O 2.82Å; A32-Y115 HydrophobicContact CB-CE2 4.25Å; A32-Y115 WeakPolarHBondContact CB-OH 3.39Å
33C97.4Very high93.3Very high17 Ų1756.8 Ų56.812%0.11528%0.276CS..Hα-helixtrans-59.8-42.8171.8-69.60000111.8F29 I30 A35 E36 F37 S118F29-C33 PolarHBondContact O-N 3.29Å; F29-C33 PolarHBondContact O-SG 2.86Å; I30-C33 PolarHBondContact O-N 3.3Å; C33-A35 VanDerWaalsContact C-N 3.33Å; C33-A35 PolarHBondContact O-N 3.25Å; C33-E36 PolarHBondContact O-N 3.24Å; C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 3.24Å; C33-S118 WeakPolarHBondContact CB-OG 3.49Å; C33-S118 VanDerWaalsContact O-CB 3.29Å; C33-S118 WeakPolarHBondContact O-CB 3.38Å
34L96.3Very high94Very high87 Ų8750.5 Ų50.546%0.45525%0.252SS..Hα-helixtrans-63.4-39.6175.4-177.262.3000111.8L24 I30 R31 A32 F37 C38L24-L34 HydrophobicContact CD1-CD2 4.18Å; I30-L34 PolarHBondContact O-N 3.46Å; R31-L34 PolarHBondContact O-N 3.41Å; A32-L34 VanDerWaalsContact C-N 3.32Å; A32-L34 PolarHBondContact O-N 3.11Å; L34-F37 HydrophobicContact CD1-CD1 4.38Å; L34-F37 WeakPolarHBondContact O-CB 3.44Å; L34-F37 PolarHBondContact O-N 3.28Å; L34-C38 WeakPolarHBondContact O-CB 3.33Å; L34-C38 PolarHBondContact O-N 3.2Å; L34-C38 PolarHBondContact O-SG 3.42Å
35A97.6Very high94.8Very high11 Ų1150.3 Ų50.39%0.09125%0.251CS..Hα-helixtrans-64.1-43.9176.400000111.7R31 A32 C33 C38 G39 S85R31-A35 WeakPolarHBondContact O-CB 3.32Å; R31-A35 PolarHBondContact O-N 3.25Å; A32-A35 WeakPolarHBondContact O-CB 3.27Å; A32-A35 PolarHBondContact O-N 2.85Å; C33-A35 VanDerWaalsContact C-N 3.33Å; C33-A35 PolarHBondContact O-N 3.25Å; A35-C38 PolarHBondContact O-N 2.92Å; A35-G39 PolarHBondContact O-N 3.28Å; A35-S85 WeakPolarHBondContact O-CA 3.46Å; A35-S85 WeakPolarHBondContact O-CB 3.4Å
36E98.3Very high95.8Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-63.9-39.5174.5-68.6-68.8136.300112.4A32 C33 T40 S90 G91 H92 I93 Y115 Q119A32-E36 WeakPolarHBondContact O-CG 3.24Å; A32-E36 PolarHBondContact O-N 3.44Å; C33-E36 PolarHBondContact O-N 3.24Å; E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 2.68Å; E36-T40 PolarHBondContact O-OG1 2.97Å; E36-S90 PolarHBondContact OE1-N 3.04Å; E36-S90 PolarHBondContact OE1-OG 3.23Å; E36-G91 PolarHBondContact OE1-N 3.18Å; E36-H92 PolarHBondContact OE1-N 3.16Å; E36-I93 WeakPolarHBondContact OE2-CA 3.3Å; E36-I93 PolarHBondContact OE2-N 3.12Å; E36-Y115 HydrophobicContact CG-CD1 3.5Å; E36-Y115 VanDerWaalsContact CG-CD1 3.5Å; E36-Y115 HydrophobicContact CG-CE1 3.43Å; E36-Y115 VanDerWaalsContact CG-CE1 3.43Å; E36-Y115 HydrophobicContact CG-CG 4.16Å; E36-Q119 HydrophobicContact CB-CG 4.11Å; E36-Q119 PolarHBondContact OE2-NE2 3.16Å
37F98.5Very high96.5Very high57 Ų5738.2 Ų38.225%0.2520%0.2CC..Hα-helixtrans-58.6-52.9171.7170.1-85.5000111C33 L34 T40 A41 S118 L121 G122 V125C33-F37 WeakPolarHBondContact O-CB 3.39Å; C33-F37 PolarHBondContact O-N 3.24Å; L34-F37 HydrophobicContact CD1-CD1 4.38Å; L34-F37 WeakPolarHBondContact O-CB 3.44Å; L34-F37 PolarHBondContact O-N 3.28Å; F37-T40 PolarHBondContact O-N 3.01Å; F37-A41 WeakPolarHBondContact O-CB 3.36Å; F37-A41 PolarHBondContact O-N 3.3Å; F37-S118 WeakPolarHBondContact CA-O 3.45Å; F37-L121 HydrophobicContact CD2-CB 3.84Å; F37-L121 HydrophobicContact CE2-CB 3.87Å; F37-G122 VanDerWaalsContact CD2-N 3.28Å; F37-G122 WeakPolarHBondContact O-CA 3.35Å; F37-V125 HydrophobicContact CE2-CB 4.43Å; F37-V125 HydrophobicContact CE2-CG2 4.06Å; F37-V125 HydrophobicContact CZ-CB 4.06Å; F37-V125 HydrophobicContact CZ-CG1 4.26Å; F37-V125 HydrophobicContact CZ-CG2 3.89Å
38C98.4Very high97Very high49 Ų4935.8 Ų35.833%0.33118%0.184SC..Hα-helixtrans-62.5-46.5-179.1-720000111.7L34 A35 T40 A41 I42L34-C38 WeakPolarHBondContact O-CB 3.33Å; L34-C38 PolarHBondContact O-N 3.2Å; L34-C38 PolarHBondContact O-SG 3.42Å; A35-C38 PolarHBondContact O-N 2.92Å; C38-T40 VanDerWaalsContact C-N 3.35Å; C38-T40 PolarHBondContact O-N 2.88Å; C38-A41 PolarHBondContact O-N 2.87Å; C38-I42 VanDerWaalsContact O-CG1 3.28Å; C38-I42 WeakPolarHBondContact O-CG1 3.38Å; C38-I42 PolarHBondContact O-N 3.43Å
39G98.7Very high97.5Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-62.1-41178.300000112.7A35 I42 L43 G81A35-G39 PolarHBondContact O-N 3.28Å; G39-I42 PolarHBondContact O-N 3.13Å; G39-L43 WeakPolarHBondContact O-CB 3.39Å; G39-L43 PolarHBondContact O-N 3.4Å; G39-G81 VanDerWaalsContact CA-O 3.23Å; G39-G81 WeakPolarHBondContact CA-O 3.36Å; G39-G81 VanDerWaalsContact O-CA 3.25Å; G39-G81 WeakPolarHBondContact O-CA 3.29Å
40T98.9Very high97.8Very high0 Ų030.9 Ų30.90%016%0.16CC..Hα-helixtrans-72.2-32.3178-43.50000111.8E36 F37 C38 L43 M44 Q119 A123 A227E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 2.68Å; E36-T40 PolarHBondContact O-OG1 2.97Å; F37-T40 PolarHBondContact O-N 3.01Å; C38-T40 VanDerWaalsContact C-N 3.35Å; C38-T40 PolarHBondContact O-N 2.88Å; T40-L43 HydrophobicContact CG2-CD2 4.45Å; T40-L43 WeakPolarHBondContact O-CB 3.22Å; T40-L43 PolarHBondContact O-N 2.82Å; T40-M44 PolarHBondContact O-N 3.45Å; T40-Q119 HydrophobicContact CG2-CB 4.36Å; T40-Q119 VanDerWaalsContact CG2-O 3.24Å; T40-Q119 WeakPolarHBondContact CG2-O 3.46Å; T40-A123 HydrophobicContact CG2-CB 3.84Å; T40-A227 HydrophobicContact CG2-CB 4.29Å
41A98.9Very high98Very high9 Ų927.6 Ų27.67%0.07414%0.143CC..Hα-helixtrans-63.8-46170.900000111.6F37 C38 L43 M44 I45 G122 G126F37-A41 WeakPolarHBondContact O-CB 3.36Å; F37-A41 PolarHBondContact O-N 3.3Å; C38-A41 PolarHBondContact O-N 2.87Å; A41-L43 PolarHBondContact O-N 3Å; A41-M44 PolarHBondContact O-N 3.36Å; A41-I45 VanDerWaalsContact O-CG1 3.27Å; A41-I45 WeakPolarHBondContact O-CG1 3.45Å; A41-I45 PolarHBondContact O-N 2.92Å; A41-G122 WeakPolarHBondContact CA-O 3.45Å; A41-G122 WeakPolarHBondContact CB-O 3.12Å; A41-G126 WeakPolarHBondContact O-CA 3.41Å
42I98.8Very high98.3Very high30 Ų3022.9 Ų22.915%0.15413%0.125CC..Hα-helixtrans-62.1-42.7176-68.3-65.4000111.2C38 G39 M44 I45 F46 M80 F84C38-I42 VanDerWaalsContact O-CG1 3.28Å; C38-I42 WeakPolarHBondContact O-CG1 3.38Å; C38-I42 PolarHBondContact O-N 3.43Å; G39-I42 PolarHBondContact O-N 3.13Å; I42-M44 VanDerWaalsContact C-N 3.32Å; I42-M44 PolarHBondContact O-N 3.43Å; I42-I45 HydrophobicContact CD1-CD1 4.34Å; I42-I45 PolarHBondContact O-N 2.83Å; I42-F46 HydrophobicContact CG2-CD2 3.8Å; I42-F46 HydrophobicContact CG2-CE2 3.89Å; I42-F46 WeakPolarHBondContact O-CD2 3.24Å; I42-F46 PolarHBondContact O-N 2.94Å; I42-M80 HydrophobicContact CG2-CB 3.54Å; I42-F84 HydrophobicContact CD1-CD1 4.32Å; I42-F84 HydrophobicContact CD1-CE1 4.23Å; I42-F84 HydrophobicContact CD1-CZ 4.48Å; I42-F84 HydrophobicContact CG1-CB 4.26Å; I42-F84 HydrophobicContact CG1-CD1 3.89Å; I42-F84 HydrophobicContact CG1-CD2 4.38Å; I42-F84 HydrophobicContact CG1-CE1 4.3Å; I42-F84 HydrophobicContact CG1-CG 3.92Å; I42-F84 HydrophobicContact CG2-CD2 4.3Å
43L98.8Very high98.3Very high4 Ų426.3 Ų26.32%0.02114%0.14CC..Hα-helixtrans-52.5-50.4172170.264.3000111.1G39 T40 A41 G47 W74 A77 V78 I93G39-L43 WeakPolarHBondContact O-CB 3.39Å; G39-L43 PolarHBondContact O-N 3.4Å; T40-L43 HydrophobicContact CG2-CD2 4.45Å; T40-L43 WeakPolarHBondContact O-CB 3.22Å; T40-L43 PolarHBondContact O-N 2.82Å; A41-L43 PolarHBondContact O-N 3Å; L43-G47 PolarHBondContact O-N 3.49Å; L43-W74 HydrophobicContact CD1-CE3 4.2Å; L43-W74 HydrophobicContact CD1-CZ3 4.02Å; L43-W74 HydrophobicContact CG-CZ3 4.4Å; L43-A77 HydrophobicContact CD1-CB 3.82Å; L43-V78 HydrophobicContact CD1-CB 4.48Å; L43-V78 HydrophobicContact CD1-CG2 3.53Å; L43-I93 HydrophobicContact CB-CD1 4.35Å; L43-I93 HydrophobicContact CD2-CD1 4.08Å; L43-I93 HydrophobicContact CD2-CG1 4.43Å
44M98.8Very high98.3Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-71.8-31.1-179.3-67.9-48.3-56.600113.6T40 A41 I42 S48 W74 A123 R228 P232T40-M44 PolarHBondContact O-N 3.45Å; A41-M44 PolarHBondContact O-N 3.36Å; I42-M44 VanDerWaalsContact C-N 3.32Å; I42-M44 PolarHBondContact O-N 3.43Å; M44-S48 VanDerWaalsContact CE-OG 3.31Å; M44-S48 WeakPolarHBondContact CE-OG 3.45Å; M44-S48 WeakPolarHBondContact O-CB 3.34Å; M44-S48 PolarHBondContact O-N 2.86Å; M44-S48 PolarHBondContact O-OG 3.02Å; M44-W74 HydrophobicContact CE-CH2 4.07Å; M44-W74 HydrophobicContact SD-CH2 4.19Å; M44-A123 VanDerWaalsContact CG-CA 3.45Å; M44-A123 HydrophobicContact CG-CB 3.67Å; M44-A123 HydrophobicContact SD-CB 4.45Å; M44-R228 HydrophobicContact CE-CG 4.27Å; M44-R228 HydrophobicContact SD-CB 3.99Å; M44-R228 HydrophobicContact SD-CG 3.59Å; M44-R228 VanDerWaalsContact SD-CG 3.59Å; M44-P232 HydrophobicContact CE-CB 4.49Å; M44-P232 HydrophobicContact CE-CG 3.54Å; M44-P232 HydrophobicContact SD-CG 4.36Å
45I98.9Very high98.3Very high56 Ų5623 Ų2329%0.28712%0.122SC..Hα-helixtrans-61.1-52.3174.9-74.4164.4000110A41 I42 G49 A129 I130A41-I45 VanDerWaalsContact O-CG1 3.27Å; A41-I45 WeakPolarHBondContact O-CG1 3.45Å; A41-I45 PolarHBondContact O-N 2.92Å; I42-I45 HydrophobicContact CD1-CD1 4.34Å; I42-I45 PolarHBondContact O-N 2.83Å; I45-G49 WeakPolarHBondContact O-CA 3.45Å; I45-G49 PolarHBondContact O-N 2.76Å; I45-A129 HydrophobicContact CD1-CB 4.48Å; I45-A129 HydrophobicContact CG1-CB 4.28Å; I45-I130 HydrophobicContact CB-CG1 4.48Å; I45-I130 HydrophobicContact CG2-CD1 4.12Å; I45-I130 VanDerWaalsContact O-CD1 3.24Å; I45-I130 WeakPolarHBondContact O-CD1 3.45Å; I45-I130 WeakPolarHBondContact O-CG1 3.28Å
46F98.8Very high98.3Very high95 Ų9523 Ų2342%0.41712%0.12SC..Hα-helixtrans-72-44.1-179.9-77.9-77.7000112.4I42 G49 V50 A77 M80I42-F46 HydrophobicContact CG2-CD2 3.8Å; I42-F46 HydrophobicContact CG2-CE2 3.89Å; I42-F46 WeakPolarHBondContact O-CD2 3.24Å; I42-F46 PolarHBondContact O-N 2.94Å; F46-G49 PolarHBondContact O-N 2.89Å; F46-V50 PolarHBondContact O-N 3.07Å; F46-A77 HydrophobicContact CB-CB 3.53Å; F46-M80 HydrophobicContact CD2-CB 3.89Å; F46-M80 HydrophobicContact CD2-CG 4.1Å; F46-M80 HydrophobicContact CE2-CB 3.82Å; F46-M80 HydrophobicContact CE2-CG 3.78Å; F46-M80 HydrophobicContact CZ-CG 4.12Å
47G98.7Very high98Very high0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-66.7-44.9-177.700000113.3L43 V50 L51 W74L43-G47 PolarHBondContact O-N 3.49Å; G47-V50 VanDerWaalsContact O-CG1 3.27Å; G47-V50 WeakPolarHBondContact O-CG1 3.42Å; G47-L51 PolarHBondContact O-N 3.42Å; G47-W74 WeakPolarHBondContact O-CZ2 3.42Å
48S98.8Very high97.7Very high0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-73.5-32174-40.20000111M44 L51 A52M44-S48 VanDerWaalsContact CE-OG 3.31Å; M44-S48 WeakPolarHBondContact CE-OG 3.45Å; M44-S48 WeakPolarHBondContact O-CB 3.34Å; M44-S48 PolarHBondContact O-N 2.86Å; M44-S48 PolarHBondContact O-OG 3.02Å; S48-L51 PolarHBondContact O-N 3.09Å; S48-A52 WeakPolarHBondContact O-CB 3.28Å; S48-A52 PolarHBondContact O-N 3.34Å
49G98.5Very high97.2Very high10 Ų1026.4 Ų26.410%0.10314%0.135CC..Hα-helixtrans-61.3-44.6177.600000113I45 F46 L51 A52 Q53I45-G49 WeakPolarHBondContact O-CA 3.45Å; I45-G49 PolarHBondContact O-N 2.76Å; F46-G49 PolarHBondContact O-N 2.89Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.47Å; G49-A52 PolarHBondContact O-N 2.71Å; G49-Q53 WeakPolarHBondContact O-CG 3.35Å; G49-Q53 PolarHBondContact O-N 2.92Å
50V98.3Very high96.7Very high26 Ų2626.8 Ų26.816%0.15814%0.139CC..Hα-helixtrans-66.9-35.3176.769.80000112.2F46 G47 T54 S69F46-V50 PolarHBondContact O-N 3.07Å; G47-V50 VanDerWaalsContact O-CG1 3.27Å; G47-V50 WeakPolarHBondContact O-CG1 3.42Å; V50-T54 WeakPolarHBondContact O-CB 3.38Å; V50-T54 PolarHBondContact O-N 2.65Å; V50-T54 PolarHBondContact O-OG1 3.19Å; V50-S69 WeakPolarHBondContact CG2-O 3.37Å
51L98.1Very high96.2Very high23 Ų2333.3 Ų33.312%0.1217%0.167CC..Hα-helixtrans-69.2-39.8173.4-77.6170.6000111.8G47 S48 G49 T54 I55 V70 W74 I158G47-L51 PolarHBondContact O-N 3.42Å; S48-L51 PolarHBondContact O-N 3.09Å; G49-L51 VanDerWaalsContact C-N 3.33Å; G49-L51 PolarHBondContact O-N 3.47Å; L51-T54 PolarHBondContact O-N 3.44Å; L51-I55 HydrophobicContact CB-CD1 4.42Å; L51-I55 HydrophobicContact CD2-CD1 4.35Å; L51-I55 VanDerWaalsContact O-CB 3.29Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.97Å; L51-V70 HydrophobicContact CD2-CG1 3.88Å; L51-V70 HydrophobicContact CD2-CG2 4.08Å; L51-W74 HydrophobicContact CD1-CZ2 3.91Å; L51-I158 HydrophobicContact CB-CG2 4.38Å; L51-I158 WeakPolarHBondContact CD1-O 3.37Å
52A98.5Very high95.8Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-62.8-45.8177.200000111.2S48 G49 T54 L56 I130 Y134 I158S48-A52 WeakPolarHBondContact O-CB 3.28Å; S48-A52 PolarHBondContact O-N 3.34Å; G49-A52 PolarHBondContact O-N 2.71Å; A52-T54 PolarHBondContact O-N 2.94Å; A52-L56 HydrophobicContact CB-CD1 4.25Å; A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 WeakPolarHBondContact O-CG 3.31Å; A52-L56 PolarHBondContact O-N 3.42Å; A52-I130 HydrophobicContact CB-CG2 4.22Å; A52-Y134 HydrophobicContact CB-CD1 3.82Å; A52-Y134 HydrophobicContact CB-CD2 3.68Å; A52-Y134 HydrophobicContact CB-CE1 3.87Å; A52-Y134 HydrophobicContact CB-CE2 3.74Å; A52-Y134 HydrophobicContact CB-CG 3.72Å; A52-I158 HydrophobicContact CB-CD1 4.46Å; A52-I158 HydrophobicContact CB-CG2 3.89Å
53Q96.5Very high95.4Very high79 Ų7939.5 Ų39.537%0.36921%0.206SC..Hα-helixtrans-57.2-50173-75-68.2-14.800111.6G49 G57 H64 Y134G49-Q53 WeakPolarHBondContact O-CG 3.35Å; G49-Q53 PolarHBondContact O-N 2.92Å; Q53-G57 WeakPolarHBondContact O-CA 3.4Å; Q53-G57 PolarHBondContact O-N 2.98Å; Q53-H64 HydrophobicContact CB-CB 4.41Å; Q53-Y134 VanDerWaalsContact CG-OH 3.32Å; Q53-Y134 WeakPolarHBondContact CG-OH 3.49Å; Q53-Y134 PolarHBondContact NE2-OH 3.26Å
54T96.7Very high95Very high7 Ų745 Ų454%0.04323%0.231CC..Hα-helixtrans-67.7-45.2-176.9-52.60000111.7V50 L51 A52 Q62 V70V50-T54 WeakPolarHBondContact O-CB 3.38Å; V50-T54 PolarHBondContact O-N 2.65Å; V50-T54 PolarHBondContact O-OG1 3.19Å; L51-T54 PolarHBondContact O-N 3.44Å; A52-T54 PolarHBondContact O-N 2.94Å; T54-Q62 WeakPolarHBondContact O-CA 3.28Å; T54-Q62 WeakPolarHBondContact O-CB 3.27Å; T54-Q62 VanDerWaalsContact O-CG 3.25Å; T54-Q62 WeakPolarHBondContact O-CG 3.24Å; T54-V70 HydrophobicContact CG2-CG2 4.07Å
55I96.3Very high94.7Very high26 Ų2646.7 Ų46.713%0.13325%0.248CC..Hα-helixtrans-76.8-38.7-174.6-69.3170000111.8L51 G60 Y141 I158L51-I55 HydrophobicContact CB-CD1 4.42Å; L51-I55 HydrophobicContact CD2-CD1 4.35Å; L51-I55 VanDerWaalsContact O-CB 3.29Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CG1 3.16Å; L51-I55 PolarHBondContact O-N 2.97Å; I55-G60 WeakPolarHBondContact O-CA 3.48Å; I55-Y141 HydrophobicContact CG2-CE2 4.45Å; I55-I158 HydrophobicContact CB-CG1 4.25Å; I55-I158 HydrophobicContact CD1-CG1 3.78Å; I55-I158 HydrophobicContact CG2-CG1 4.36Å
56L97.3Very high94.5Very high12 Ų1245.5 Ų45.56%0.06325%0.25CS..Hα-helixtrans-93.9-11.6-172.5-54.7171.4000113.1A52 G60 Y134 K137 I138 Y141 I158A52-L56 HydrophobicContact CB-CD1 4.25Å; A52-L56 WeakPolarHBondContact O-CB 3.41Å; A52-L56 WeakPolarHBondContact O-CG 3.31Å; A52-L56 PolarHBondContact O-N 3.42Å; L56-G60 PolarHBondContact O-N 3.48Å; L56-Y134 HydrophobicContact CD1-CD1 3.86Å; L56-Y134 HydrophobicContact CD1-CG 4.21Å; L56-K137 HydrophobicContact CB-CB 4.3Å; L56-K137 HydrophobicContact CD1-CB 3.88Å; L56-I138 HydrophobicContact CD1-CG1 3.74Å; L56-I138 HydrophobicContact CD2-CG1 4.43Å; L56-Y141 HydrophobicContact CD2-CD2 3.99Å; L56-Y141 HydrophobicContact CD2-CG 4.12Å; L56-I158 HydrophobicContact CD1-CD1 3.81Å; L56-I158 HydrophobicContact CD2-CD1 4.05Å; L56-I158 HydrophobicContact CG-CD1 3.9Å
57G93.8Very high94.3Very high5 Ų546.4 Ų46.45%0.05225%0.254CS..Hα-helixtrans-60.7142.5-175.800000114.2Q53 H59 G60 K61 Q62Q53-G57 WeakPolarHBondContact O-CA 3.4Å; Q53-G57 PolarHBondContact O-N 2.98Å; G57-H59 PolarHBondContact O-N 2.77Å; G57-G60 CarbonylContact O-C 3.6Å; G57-G60 WeakPolarHBondContact O-CA 3.32Å; G57-G60 PolarHBondContact O-N 2.97Å; G57-G60 VanDerWaalsContact O-N 3.09Å; G57-K61 PolarHBondContact O-N 3.46Å; G57-Q62 PolarHBondContact O-N 2.96Å
58D91Very high94.2Very high68 Ų6852 Ų5236%0.36428%0.283SS..Hα-helixtrans44.261.2-171.1-177.120.3000112.1G60 K61 A63D58-G60 PolarHBondContact O-N 3.44Å; D58-G60 VanDerWaalsContact O-N 3.13Å; D58-K61 HydrophobicContact CB-CB 4.24Å; D58-K61 HydrophobicContact CB-CD 4.44Å; D58-K61 WeakPolarHBondContact O-CB 3.27Å; D58-K61 WeakPolarHBondContact O-CD 3.31Å; D58-K61 WeakPolarHBondContact O-CG 3.3Å; D58-K61 PolarHBondContact O-N 3.5Å; D58-K61 IonicContact OD1-NZ 3.65Å; D58-K61 WeakPolarHBondContact OD2-CD 3.38Å; D58-K61 IonicContact OD2-NZ 3.42Å; D58-K61 PolarHBondContact OD2-NZ 3.25Å; D58-A63 HydrophobicContact CB-CB 3.43Å; D58-A63 VanDerWaalsContact CB-CB 3.43Å
59H87.6Confident94Very high104 Ų10454 Ų5448%0.48130%0.298SS..Hα-helixtrans52.540.6-179.3-53.1-84.2000111.4G57 E140 R145G57-H59 PolarHBondContact O-N 2.77Å; H59-E140 IonicContact CE1-OE1 3.29Å; H59-E140 PolarHBondContact CE1-OE1 3.48Å; H59-E140 VanDerWaalsContact CE1-OE1 3.29Å; H59-E140 IonicContact CG-OE1 3.78Å; H59-E140 IonicContact ND1-OE1 2.61Å; H59-E140 PolarHBondContact ND1-OE1 2.88Å; H59-R145 PolarHBondContact O-NH1 2.78Å; H59-R145 PolarHBondContact O-NH2 3.33Å
60G88.1Confident94Very high8 Ų854.4 Ų54.48%0.08230%0.298CS..Hα-helixtrans73.117.7-178.100000118.1I55 L56 G57 D58 Q62 R145I55-G60 WeakPolarHBondContact O-CA 3.48Å; L56-G60 PolarHBondContact O-N 3.48Å; G57-G60 CarbonylContact O-C 3.6Å; G57-G60 WeakPolarHBondContact O-CA 3.32Å; G57-G60 PolarHBondContact O-N 2.97Å; G57-G60 VanDerWaalsContact O-N 3.09Å; D58-G60 PolarHBondContact O-N 3.44Å; D58-G60 VanDerWaalsContact O-N 3.13Å; G60-Q62 PolarHBondContact O-N 2.85Å; G60-R145 PolarHBondContact O-NH1 3.43Å
61K89.8Confident94Very high137 Ų13753.3 Ų53.360%0.59629%0.291SS*.THydrogen-bonded Turntrans-79.42.9167.7-65.5164-179.2166.30113.5G57 D58G57-K61 PolarHBondContact O-N 3.46Å; D58-K61 HydrophobicContact CB-CB 4.24Å; D58-K61 HydrophobicContact CB-CD 4.44Å; D58-K61 WeakPolarHBondContact O-CB 3.27Å; D58-K61 WeakPolarHBondContact O-CD 3.31Å; D58-K61 WeakPolarHBondContact O-CG 3.3Å; D58-K61 PolarHBondContact O-N 3.5Å; D58-K61 IonicContact OD1-NZ 3.65Å; D58-K61 WeakPolarHBondContact OD2-CD 3.38Å; D58-K61 IonicContact OD2-NZ 3.42Å; D58-K61 PolarHBondContact OD2-NZ 3.25Å
62Q89.7Confident94Very high105 Ų10555.7 Ų55.749%0.49130%0.303SS..  trans66.733.7176.2-46.3-173.8-600115.9T54 G57 G60 H64T54-Q62 WeakPolarHBondContact O-CA 3.28Å; T54-Q62 WeakPolarHBondContact O-CB 3.27Å; T54-Q62 VanDerWaalsContact O-CG 3.25Å; T54-Q62 WeakPolarHBondContact O-CG 3.24Å; G57-Q62 PolarHBondContact O-N 2.96Å; G60-Q62 PolarHBondContact O-N 2.85Å; Q62-H64 VanDerWaalsContact C-N 3.27Å; Q62-H64 PolarHBondContact O-N 3.32Å
63A89.8Confident94Very high65 Ų6556.4 Ų56.454%0.53731%0.311SS..THydrogen-bonded Turntrans-71.3-15.2-177.700000115.1D58D58-A63 HydrophobicContact CB-CB 3.43Å; D58-A63 VanDerWaalsContact CB-CB 3.43Å
64H91.8Very high94.1Very high119 Ų11953.5 Ų53.555%0.55130%0.297SS*.THydrogen-bonded Turntrans-102.441.1-178.5-65.4-68000113Q53 Q62Q53-H64 HydrophobicContact CB-CB 4.41Å; Q62-H64 VanDerWaalsContact C-N 3.27Å; Q62-H64 PolarHBondContact O-N 3.32Å
65G92.7Very high94.2Very high36 Ų3653.2 Ų53.237%0.37130%0.296SS..  trans153.2-172.3172.500000114S69G65-S69 VanDerWaalsContact CA-OG 3.24Å; G65-S69 WeakPolarHBondContact CA-OG 3.01Å
66G94Very high94.3Very high31 Ų3156.8 Ų56.832%0.3231%0.31SS..  trans-163.8-166171.900000109.5L68 S69 V70G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.41Å; G66-S69 PolarHBondContact N-OG 3.21Å; G66-S69 PolarHBondContact O-N 3.14Å; G66-S69 VanDerWaalsContact O-N 3.17Å; G66-S69 PolarHBondContact O-OG 3.4Å; G66-V70 WeakPolarHBondContact O-CG2 3.27Å; G66-V70 PolarHBondContact O-N 3.03Å
67F94.2Very high94.4Very high113 Ų11356.2 Ų56.250%0.49631%0.307SS..Hα-helixtrans-60.1-40.7-175.8-171.9-113000113.2S69 V70 S71 V213 A217F67-S69 PolarHBondContact O-N 3.22Å; F67-V70 PolarHBondContact O-N 3.21Å; F67-S71 PolarHBondContact O-N 2.83Å; F67-S71 PolarHBondContact O-OG 3.31Å; F67-V213 WeakPolarHBondContact CZ-O 3.14Å; F67-A217 HydrophobicContact CE2-CB 3.61Å; F67-A217 HydrophobicContact CZ-CB 3.83Å
68L96.1Very high94.6Very high118 Ų11856.8 Ų56.862%0.61831%0.31SS*.Hα-helixtrans-59.3-43.5176.9-179.563.3000112.4G66 S71 L72 Y210G66-L68 VanDerWaalsContact C-N 3.31Å; G66-L68 PolarHBondContact O-N 3.41Å; L68-S71 PolarHBondContact O-N 3.39Å; L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 PolarHBondContact O-N 2.93Å; L68-Y210 HydrophobicContact CD1-CE2 4.22Å; L68-Y210 WeakPolarHBondContact CD1-OH 3.03Å
69S95.7Very high95Very high43 Ų4356.8 Ų56.830%0.30131%0.305SS..Hα-helixtrans-69.1-36.7178.263.10000111.5V50 G65 G66 F67 G73V50-S69 WeakPolarHBondContact CG2-O 3.37Å; G65-S69 VanDerWaalsContact CA-OG 3.24Å; G65-S69 WeakPolarHBondContact CA-OG 3.01Å; G66-S69 PolarHBondContact N-OG 3.21Å; G66-S69 PolarHBondContact O-N 3.14Å; G66-S69 VanDerWaalsContact O-N 3.17Å; G66-S69 PolarHBondContact O-OG 3.4Å; F67-S69 PolarHBondContact O-N 3.22Å; S69-G73 WeakPolarHBondContact O-CA 3.41Å; S69-G73 PolarHBondContact O-N 2.93Å
70V97.3Very high95.5Very high18 Ų1854.8 Ų54.811%0.10930%0.297CS..Hα-helixtrans-62.4-49.8174.5171.60000110.6L51 T54 G66 F67 L72 G73 W74L51-V70 HydrophobicContact CD2-CG1 3.88Å; L51-V70 HydrophobicContact CD2-CG2 4.08Å; T54-V70 HydrophobicContact CG2-CG2 4.07Å; G66-V70 WeakPolarHBondContact O-CG2 3.27Å; G66-V70 PolarHBondContact O-N 3.03Å; F67-V70 PolarHBondContact O-N 3.21Å; V70-L72 PolarHBondContact O-N 3.14Å; V70-G73 PolarHBondContact O-N 3.46Å; V70-W74 VanDerWaalsContact O-CD1 3.28Å; V70-W74 PolarHBondContact O-N 3.37Å
71S98.3Very high96Very high2 Ų254.4 Ų54.41%0.01429%0.293CS..Hα-helixtrans-59.6-48.9177.8-58.10000111.4F67 L68 G73 W74 G75F67-S71 PolarHBondContact O-N 2.83Å; F67-S71 PolarHBondContact O-OG 3.31Å; L68-S71 PolarHBondContact O-N 3.39Å; S71-G73 VanDerWaalsContact C-N 3.32Å; S71-G73 PolarHBondContact O-N 3.29Å; S71-W74 PolarHBondContact O-N 2.94Å; S71-G75 PolarHBondContact O-N 3.1Å
72L98.3Very high96.4Very high73 Ų7348.5 Ų48.538%0.38227%0.268SS..Hα-helixtrans-63.9-40.4-179.8-172.763.9000111.4L68 V70 G75 F76 Y210L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 PolarHBondContact O-N 2.93Å; V70-L72 PolarHBondContact O-N 3.14Å; L72-G75 PolarHBondContact O-N 2.92Å; L72-F76 HydrophobicContact CD1-CD2 4.04Å; L72-F76 HydrophobicContact CD1-CE2 3.56Å; L72-F76 HydrophobicContact CD1-CZ 4.36Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CG-CD2 3.84Å; L72-F76 HydrophobicContact CG-CE2 3.63Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 PolarHBondContact O-N 3.36Å; L72-Y210 HydrophobicContact CB-CD2 4.27Å; L72-Y210 HydrophobicContact CB-CE2 4.26Å; L72-Y210 HydrophobicContact CD1-CD2 4.31Å; L72-Y210 HydrophobicContact CD1-CE2 4.46Å
73G98.5Very high96.7Very high16 Ų1647 Ų4717%0.16526%0.263CS..Hα-helixtrans-63-41.3177.300000112.9S69 V70 S71 F76 A77S69-G73 WeakPolarHBondContact O-CA 3.41Å; S69-G73 PolarHBondContact O-N 2.93Å; V70-G73 PolarHBondContact O-N 3.46Å; S71-G73 VanDerWaalsContact C-N 3.32Å; S71-G73 PolarHBondContact O-N 3.29Å; G73-F76 PolarHBondContact O-N 3.47Å; G73-A77 VanDerWaalsContact O-CB 3.29Å; G73-A77 WeakPolarHBondContact O-CB 3.42Å; G73-A77 PolarHBondContact O-N 3.27Å
74W98.6Very high97Very high17 Ų1749.5 Ų49.56%0.06426%0.262CS..Hα-helixtrans-68-36.4173.6-83.8102.7000113L43 M44 G47 L51 V70 S71 A77 V78 V209 V213 R228L43-W74 HydrophobicContact CD1-CE3 4.2Å; L43-W74 HydrophobicContact CD1-CZ3 4.02Å; L43-W74 HydrophobicContact CG-CZ3 4.4Å; M44-W74 HydrophobicContact CE-CH2 4.07Å; M44-W74 HydrophobicContact SD-CH2 4.19Å; G47-W74 WeakPolarHBondContact O-CZ2 3.42Å; L51-W74 HydrophobicContact CD1-CZ2 3.91Å; V70-W74 VanDerWaalsContact O-CD1 3.28Å; V70-W74 PolarHBondContact O-N 3.37Å; S71-W74 PolarHBondContact O-N 2.94Å; W74-A77 HydrophobicContact CE3-CB 4.42Å; W74-A77 WeakPolarHBondContact O-CB 3.31Å; W74-A77 PolarHBondContact O-N 3.29Å; W74-V78 PolarHBondContact O-N 2.72Å; W74-V78 VanDerWaalsContact O-N 3.08Å; W74-V209 HydrophobicContact CB-CG1 4.49Å; W74-V213 HydrophobicContact CB-CG2 3.83Å; W74-V213 HydrophobicContact CG-CG2 4.31Å; W74-R228 HydrophobicContact CH2-CG 3.82Å; W74-R228 VanDerWaalsContact CZ2-CZ 3.42Å; W74-R228 HydrophobicContact CZ3-CG 3.8Å
75G98.8Very high97.2Very high2 Ų243.8 Ų43.82%0.02124%0.235CC..Hα-helixtrans-57.2-51.6170.400000111.7S71 L72 A77 V78 Y79 A206S71-G75 PolarHBondContact O-N 3.1Å; L72-G75 PolarHBondContact O-N 2.92Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 3.45Å; G75-V78 PolarHBondContact O-N 2.97Å; G75-Y79 PolarHBondContact O-N 2.89Å; G75-A206 VanDerWaalsContact CA-O 3.31Å; G75-A206 WeakPolarHBondContact CA-O 3.49Å; G75-A206 WeakPolarHBondContact O-CA 3.5Å; G75-A206 VanDerWaalsContact O-CB 3.24Å; G75-A206 WeakPolarHBondContact O-CB 3.42Å
76F98.7Very high96.6Very high100 Ų10043.7 Ų43.744%0.43923%0.234SC..Hα-helixtrans-69.2-26.3176.7-75.3-58.9000114L72 G73 V78 Y79 M80L72-F76 HydrophobicContact CD1-CD2 4.04Å; L72-F76 HydrophobicContact CD1-CE2 3.56Å; L72-F76 HydrophobicContact CD1-CZ 4.36Å; L72-F76 HydrophobicContact CD2-CE2 4.1Å; L72-F76 HydrophobicContact CG-CD2 3.84Å; L72-F76 HydrophobicContact CG-CE2 3.63Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 PolarHBondContact O-N 3.36Å; G73-F76 PolarHBondContact O-N 3.47Å; F76-V78 VanDerWaalsContact C-N 3.31Å; F76-Y79 WeakPolarHBondContact O-CB 3.27Å; F76-Y79 PolarHBondContact O-N 3.21Å; F76-M80 WeakPolarHBondContact O-CG 3.08Å; F76-M80 PolarHBondContact O-N 3.2Å
77A98.9Very high95.8Very high0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-63.4-40.9171.900000111.1L43 F46 G73 W74 G75 G81L43-A77 HydrophobicContact CD1-CB 3.82Å; F46-A77 HydrophobicContact CB-CB 3.53Å; G73-A77 VanDerWaalsContact O-CB 3.29Å; G73-A77 WeakPolarHBondContact O-CB 3.42Å; G73-A77 PolarHBondContact O-N 3.27Å; W74-A77 HydrophobicContact CE3-CB 4.42Å; W74-A77 WeakPolarHBondContact O-CB 3.31Å; W74-A77 PolarHBondContact O-N 3.29Å; G75-A77 VanDerWaalsContact C-N 3.32Å; G75-A77 PolarHBondContact O-N 3.45Å; A77-G81 PolarHBondContact O-N 3.02Å
78V98.7Very high94.7Very high18 Ų1844.3 Ų44.311%0.10925%0.25CC..Hα-helixtrans-68.8-42.1172.3169.20000111.4L43 W74 G75 F76 M80 G81 V82 L205 V209L43-V78 HydrophobicContact CD1-CB 4.48Å; L43-V78 HydrophobicContact CD1-CG2 3.53Å; W74-V78 PolarHBondContact O-N 2.72Å; W74-V78 VanDerWaalsContact O-N 3.08Å; G75-V78 PolarHBondContact O-N 2.97Å; F76-V78 VanDerWaalsContact C-N 3.31Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.38Å; V78-G81 PolarHBondContact O-N 3.44Å; V78-V82 HydrophobicContact CG1-CG2 4.04Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.28Å; V78-L205 HydrophobicContact CG1-CB 4.28Å; V78-V209 HydrophobicContact CB-CB 4.28Å; V78-V209 HydrophobicContact CB-CG1 4.43Å; V78-V209 HydrophobicContact CB-CG2 4.25Å; V78-V209 HydrophobicContact CG1-CG2 4.1Å; V78-V209 HydrophobicContact CG2-CB 4.09Å; V78-V209 HydrophobicContact CG2-CG1 3.82Å; V78-V209 HydrophobicContact CG2-CG2 3.93Å
79Y98.6Very high94Very high68 Ų6839.7 Ų39.727%0.26723%0.23SC..Hα-helixtrans-49.4-56.4172.9-178.6-105000111.3G75 F76 V82 I83 P202 L203 A206G75-Y79 PolarHBondContact O-N 2.89Å; F76-Y79 WeakPolarHBondContact O-CB 3.27Å; F76-Y79 PolarHBondContact O-N 3.21Å; Y79-V82 PolarHBondContact O-N 2.92Å; Y79-I83 HydrophobicContact CD1-CG1 4.38Å; Y79-I83 HydrophobicContact CE1-CG1 4.08Å; Y79-I83 HydrophobicContact CE2-CD1 4.48Å; Y79-I83 HydrophobicContact CE2-CG1 4.34Å; Y79-I83 WeakPolarHBondContact O-CG1 3.26Å; Y79-I83 PolarHBondContact O-N 3.05Å; Y79-P202 HydrophobicContact CD2-CB 3.91Å; Y79-P202 HydrophobicContact CE2-CB 3.99Å; Y79-L203 HydrophobicContact CD2-CB 4.4Å; Y79-L203 HydrophobicContact CE2-CB 4.09Å; Y79-L203 HydrophobicContact CE2-CD1 4.45Å; Y79-A206 HydrophobicContact CD2-CB 4.27Å; Y79-A206 HydrophobicContact CG-CB 4.42Å
80M98.6Very high93.7Very high62 Ų6239.7 Ų39.731%0.30523%0.23SC..Hα-helixtrans-67.3-39.8-178.2-66.4-61-177.800111.7I42 F46 F76 V78 V82 I83 F84I42-M80 HydrophobicContact CG2-CB 3.54Å; F46-M80 HydrophobicContact CD2-CB 3.89Å; F46-M80 HydrophobicContact CD2-CG 4.1Å; F46-M80 HydrophobicContact CE2-CB 3.82Å; F46-M80 HydrophobicContact CE2-CG 3.78Å; F46-M80 HydrophobicContact CZ-CG 4.12Å; F76-M80 WeakPolarHBondContact O-CG 3.08Å; F76-M80 PolarHBondContact O-N 3.2Å; V78-M80 VanDerWaalsContact C-N 3.34Å; V78-M80 PolarHBondContact O-N 3.38Å; M80-V82 PolarHBondContact O-N 3.02Å; M80-I83 PolarHBondContact O-N 3.16Å; M80-F84 VanDerWaalsContact O-CD2 3.24Å; M80-F84 WeakPolarHBondContact O-CD2 3.47Å; M80-F84 PolarHBondContact O-N 3.2Å
81G98.6Very high93.6Very high0 Ų039.2 Ų39.20%023%0.23CC..Hα-helixtrans-58.4-46.1176.200000112.7G39 A77 V78 F84 S85G39-G81 VanDerWaalsContact CA-O 3.23Å; G39-G81 WeakPolarHBondContact CA-O 3.36Å; G39-G81 VanDerWaalsContact O-CA 3.25Å; G39-G81 WeakPolarHBondContact O-CA 3.29Å; A77-G81 PolarHBondContact O-N 3.02Å; V78-G81 PolarHBondContact O-N 3.44Å; G81-F84 PolarHBondContact O-N 3.05Å; G81-S85 WeakPolarHBondContact O-CB 3.32Å; G81-S85 PolarHBondContact O-N 3.4Å; G81-S85 VanDerWaalsContact O-N 3.13Å; G81-S85 PolarHBondContact O-OG 2.92Å
82V98.2Very high93.6Very high12 Ų1240.3 Ų40.37%0.07324%0.235CC..Hα-helixtrans-68.9-39.9177.8-179.90000111V78 Y79 M80 F84 S85 G86 I93 P202 L205V78-V82 HydrophobicContact CG1-CG2 4.04Å; V78-V82 VanDerWaalsContact O-CG2 3.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 3.28Å; Y79-V82 PolarHBondContact O-N 2.92Å; M80-V82 PolarHBondContact O-N 3.02Å; V82-F84 VanDerWaalsContact C-N 3.29Å; V82-F84 PolarHBondContact O-N 2.83Å; V82-S85 WeakPolarHBondContact CA-OG 3.33Å; V82-S85 PolarHBondContact O-N 3.48Å; V82-S85 PolarHBondContact O-OG 3.44Å; V82-G86 WeakPolarHBondContact O-CA 3.4Å; V82-G86 PolarHBondContact O-N 2.85Å; V82-I93 HydrophobicContact CG2-CD1 3.99Å; V82-P202 HydrophobicContact CB-CB 4.14Å; V82-P202 HydrophobicContact CB-CG 4.49Å; V82-P202 HydrophobicContact CG1-CB 3.99Å; V82-P202 HydrophobicContact CG1-CG 3.86Å; V82-L205 HydrophobicContact CG1-CD1 4.18Å; V82-L205 HydrophobicContact CG2-CD1 4.1Å
83I97Very high93.6Very high74 Ų7437.2 Ų37.238%0.37922%0.218SC..Hα-helixtrans-57.1-43.1175.1-71.9-72.4000111.3Y79 M80 P202Y79-I83 HydrophobicContact CD1-CG1 4.38Å; Y79-I83 HydrophobicContact CE1-CG1 4.08Å; Y79-I83 HydrophobicContact CE2-CD1 4.48Å; Y79-I83 HydrophobicContact CE2-CG1 4.34Å; Y79-I83 WeakPolarHBondContact O-CG1 3.26Å; Y79-I83 PolarHBondContact O-N 3.05Å; M80-I83 PolarHBondContact O-N 3.16Å; I83-P202 HydrophobicContact CD1-CB 3.88Å; I83-P202 HydrophobicContact CD1-CG 3.75Å; I83-P202 HydrophobicContact CG1-CB 3.94Å; I83-P202 HydrophobicContact CG1-CG 4.25Å
84F95Very high93.6Very high117 Ų11736.7 Ų36.751%0.51321%0.212SC..Hα-helixtrans-78.1-20.6-178.1-84.6-110.2000114.1I42 M80 G81 V82I42-F84 HydrophobicContact CD1-CD1 4.32Å; I42-F84 HydrophobicContact CD1-CE1 4.23Å; I42-F84 HydrophobicContact CD1-CZ 4.48Å; I42-F84 HydrophobicContact CG1-CB 4.26Å; I42-F84 HydrophobicContact CG1-CD1 3.89Å; I42-F84 HydrophobicContact CG1-CD2 4.38Å; I42-F84 HydrophobicContact CG1-CE1 4.3Å; I42-F84 HydrophobicContact CG1-CG 3.92Å; I42-F84 HydrophobicContact CG2-CD2 4.3Å; M80-F84 VanDerWaalsContact O-CD2 3.24Å; M80-F84 WeakPolarHBondContact O-CD2 3.47Å; M80-F84 PolarHBondContact O-N 3.2Å; G81-F84 PolarHBondContact O-N 3.05Å; V82-F84 VanDerWaalsContact C-N 3.29Å; V82-F84 PolarHBondContact O-N 2.83Å
85S95.5Very high93.7Very high0 Ų035.9 Ų35.90%021%0.209CC..Hα-helixtrans-104.8-30.6-177.350.30000114A35 G81 V82 C87 G88 G89 G91 I93A35-S85 WeakPolarHBondContact O-CA 3.46Å; A35-S85 WeakPolarHBondContact O-CB 3.4Å; G81-S85 WeakPolarHBondContact O-CB 3.32Å; G81-S85 PolarHBondContact O-N 3.4Å; G81-S85 VanDerWaalsContact O-N 3.13Å; G81-S85 PolarHBondContact O-OG 2.92Å; V82-S85 WeakPolarHBondContact CA-OG 3.33Å; V82-S85 PolarHBondContact O-N 3.48Å; V82-S85 PolarHBondContact O-OG 3.44Å; S85-C87 PolarHBondContact O-N 2.99Å; S85-G88 PolarHBondContact O-N 3.08Å; S85-G89 WeakPolarHBondContact O-CA 3.29Å; S85-G89 PolarHBondContact O-N 3.43Å; S85-G91 WeakPolarHBondContact OG-CA 3.43Å; S85-I93 VanDerWaalsContact OG-CG2 3.3Å; S85-I93 WeakPolarHBondContact OG-CG2 3.34Å
86G81Confident93.7Very high33 Ų3335.8 Ų35.834%0.3421%0.208SC..Hα-helixtrans-65.8-40.2-166.400000115.1V82 G88 G89V82-G86 WeakPolarHBondContact O-CA 3.4Å; V82-G86 PolarHBondContact O-N 2.85Å; G86-G88 VanDerWaalsContact C-N 3.32Å; G86-G88 PolarHBondContact O-N 3.33Å; G86-G89 VanDerWaalsContact O-O 3.12Å
87C77.4Confident93.7Very high134 Ų13431.5 Ų31.591%0.90519%0.19SC*.THydrogen-bonded Turntrans-74-23.8179.1-63.60000113.3S85S85-C87 PolarHBondContact O-N 2.99Å
88G71.1Confident93.7Very high23 Ų2331.5 Ų31.524%0.23719%0.19CC..THydrogen-bonded Turntrans-99.9-27.7-177.800000114.2A32 S85 G86A32-G88 WeakPolarHBondContact CA-O 3.27Å; A32-G88 WeakPolarHBondContact CB-O 3.26Å; A32-G88 PolarHBondContact N-O 2.82Å; S85-G88 PolarHBondContact O-N 3.08Å; G86-G88 VanDerWaalsContact C-N 3.32Å; G86-G88 PolarHBondContact O-N 3.33Å
89G80.3Confident93.7Very high21 Ų2132.9 Ų32.922%0.21620%0.196CC..SBendtrans-135-145.8-175.300000112.6S85 G86S85-G89 WeakPolarHBondContact O-CA 3.29Å; S85-G89 PolarHBondContact O-N 3.43Å; G86-G89 VanDerWaalsContact O-O 3.12Å
90S90.7Very high93.7Very high43 Ų4329.6 Ų29.630%0.30118%0.183SC..  trans-97.8-14.3177.166.80000113.1E36 H92 Y115E36-S90 PolarHBondContact OE1-N 3.04Å; E36-S90 PolarHBondContact OE1-OG 3.23Å; S90-H92 VanDerWaalsContact C-N 3.28Å; S90-H92 PolarHBondContact OG-CD2 2.9Å; S90-H92 PolarHBondContact OG-CE1 3.08Å; S90-H92 PolarHBondContact OG-ND1 3.22Å; S90-H92 VanDerWaalsContact OG-ND1 3.14Å; S90-H92 PolarHBondContact OG-NE2 3.35Å; S90-Y115 WeakPolarHBondContact OG-CE1 3.42Å
91G95.1Very high93.7Very high9 Ų927.5 Ų27.59%0.09317%0.172CC..SBendtrans76.316.9-176.700000113.3E36 S85E36-G91 PolarHBondContact OE1-N 3.18Å; S85-G91 WeakPolarHBondContact OG-CA 3.43Å
92H98.3Very high93.7Very high25 Ų2528 Ų2812%0.11618%0.176CC..  trans-71.1-41.4-176.7-70170.7000111.7E36 S90 N94 V97 T98 F101 F107E36-H92 PolarHBondContact OE1-N 3.16Å; S90-H92 VanDerWaalsContact C-N 3.28Å; S90-H92 PolarHBondContact OG-CD2 2.9Å; S90-H92 PolarHBondContact OG-CE1 3.08Å; S90-H92 PolarHBondContact OG-ND1 3.22Å; S90-H92 VanDerWaalsContact OG-ND1 3.14Å; S90-H92 PolarHBondContact OG-NE2 3.35Å; H92-N94 WeakPolarHBondContact O-CB 3.41Å; H92-N94 PolarHBondContact O-N 2.85Å; H92-V97 HydrophobicContact CB-CG1 4.43Å; H92-T98 VanDerWaalsContact CB-OG1 3.29Å; H92-T98 WeakPolarHBondContact CB-OG1 3.24Å; H92-T98 WeakPolarHBondContact ND1-CA 3.34Å; H92-T98 PolarHBondContact ND1-OG1 3.35Å; H92-T98 VanDerWaalsContact ND1-OG1 3.1Å; H92-F101 AromaticContact NE2-CD1 3.62Å; H92-F107 AromaticContact CE1-CD2 3.67Å; H92-F107 AromaticContact CE1-CG 4Å
93I98.6Very high93.7Very high7 Ų731.9 Ų31.94%0.03620%0.195CC..  trans47.123.9-179.862175.4000113.5E36 L43 V82 S85 N225E36-I93 WeakPolarHBondContact OE2-CA 3.3Å; E36-I93 PolarHBondContact OE2-N 3.12Å; L43-I93 HydrophobicContact CB-CD1 4.35Å; L43-I93 HydrophobicContact CD2-CD1 4.08Å; L43-I93 HydrophobicContact CD2-CG1 4.43Å; V82-I93 HydrophobicContact CG2-CD1 3.99Å; S85-I93 VanDerWaalsContact OG-CG2 3.3Å; S85-I93 WeakPolarHBondContact OG-CG2 3.34Å; I93-N225 PolarHBondContact O-ND2 2.88Å
94N98.8Very high93.7Very high6 Ų630.3 Ų30.33%0.03219%0.187CC..  trans-158115.5-167.2-175.4-26000110.2H92 A96 V97 T98 Q119 L224 N225 P226H92-N94 WeakPolarHBondContact O-CB 3.41Å; H92-N94 PolarHBondContact O-N 2.85Å; N94-A96 VanDerWaalsContact C-N 3.3Å; N94-A96 PolarHBondContact O-N 3.42Å; N94-A96 WeakPolarHBondContact OD1-CB 3.23Å; N94-A96 PolarHBondContact OD1-N 2.83Å; N94-V97 HydrophobicContact CB-CB 4.05Å; N94-V97 HydrophobicContact CB-CG2 3.99Å; N94-V97 PolarHBondContact O-N 2.8Å; N94-V97 PolarHBondContact OD1-N 3.46Å; N94-T98 WeakPolarHBondContact O-CB 3.3Å; N94-T98 PolarHBondContact O-N 3.22Å; N94-T98 PolarHBondContact O-OG1 3.1Å; N94-Q119 VanDerWaalsContact C-OE1 3.26Å; N94-L224 PolarHBondContact ND2-O 3.26Å; N94-N225 HydrophobicContact CB-CB 4.38Å; N94-N225 VanDerWaalsContact CG-CG 3.45Å; N94-N225 WeakPolarHBondContact ND2-CB 3.38Å; N94-P226 WeakPolarHBondContact OD1-CD 3.45Å
95P98.9Very high93.8Very high0 Ų027.9 Ų27.90%020%0.196CC..Hα-helixtrans-60.3-36.5179.1-28.535.9000114T98 L99 T116 Q119 N225 P226 A227 Y261P95-T98 PolarHBondContact O-N 3.49Å; P95-L99 PolarHBondContact O-N 3.29Å; P95-T116 HydrophobicContact CB-CG2 3.88Å; P95-T116 HydrophobicContact CG-CG2 3.95Å; P95-Q119 VanDerWaalsContact CA-OE1 3.3Å; P95-Q119 HydrophobicContact CG-CB 4.37Å; P95-Q119 VanDerWaalsContact CG-OE1 3.3Å; P95-N225 VanDerWaalsContact CD-OD1 3.26Å; P95-N225 WeakPolarHBondContact CD-OD1 3.39Å; P95-P226 HydrophobicContact CB-CB 4.31Å; P95-P226 HydrophobicContact CB-CG 4.32Å; P95-P226 HydrophobicContact CG-CB 4.28Å; P95-A227 HydrophobicContact CG-CB 3.73Å; P95-Y261 HydrophobicContact CB-CE1 4.02Å; P95-Y261 WeakPolarHBondContact CB-OH 3.25Å
96A98.9Very high93.7Very high0 Ų032 Ų320%021%0.213CC..Hα-helixtrans-68.6-45.1-178.500000111.6N94 T98 L99 A100 T178 P226 P260 Y261 A264N94-A96 VanDerWaalsContact C-N 3.3Å; N94-A96 PolarHBondContact O-N 3.42Å; N94-A96 WeakPolarHBondContact OD1-CB 3.23Å; N94-A96 PolarHBondContact OD1-N 2.83Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 2.95Å; A96-L99 PolarHBondContact O-N 3.26Å; A96-A100 VanDerWaalsContact O-CB 3.31Å; A96-A100 WeakPolarHBondContact O-CB 3.48Å; A96-A100 PolarHBondContact O-N 3.23Å; A96-T178 HydrophobicContact CB-CG2 4.5Å; A96-P226 HydrophobicContact CB-CG 4Å; A96-P260 HydrophobicContact CB-CB 3.99Å; A96-P260 WeakPolarHBondContact CB-O 3.36Å; A96-Y261 HydrophobicContact CB-CD1 4.02Å; A96-Y261 HydrophobicContact CB-CE1 4.47Å; A96-Y261 HydrophobicContact CB-CG 4.4Å; A96-A264 HydrophobicContact CB-CB 3.78Å; A96-A264 WeakPolarHBondContact O-CB 3.42Å
97V98.8Very high94.5Very high10 Ų1031.3 Ų31.36%0.06120%0.201CC..Hα-helixtrans-62.1-42.2173.5175.10000110.4H92 N94 L99 A100 F101 L181H92-V97 HydrophobicContact CB-CG1 4.43Å; N94-V97 HydrophobicContact CB-CB 4.05Å; N94-V97 HydrophobicContact CB-CG2 3.99Å; N94-V97 PolarHBondContact O-N 2.8Å; N94-V97 PolarHBondContact OD1-N 3.46Å; V97-L99 PolarHBondContact O-N 2.81Å; V97-A100 PolarHBondContact O-N 3.36Å; V97-F101 HydrophobicContact CG1-CD2 3.75Å; V97-F101 HydrophobicContact CG1-CE2 3.68Å; V97-F101 HydrophobicContact CG1-CG 4.44Å; V97-F101 HydrophobicContact CG1-CZ 4.3Å; V97-F101 WeakPolarHBondContact O-CB 3.37Å; V97-F101 VanDerWaalsContact O-CD2 3.3Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 PolarHBondContact O-N 3.44Å; V97-L181 HydrophobicContact CG2-CD2 4.27Å; V97-L181 HydrophobicContact CG2-CG 4.43Å
98T98.8Very high95.4Very high0 Ų027.8 Ų27.80%018%0.177CC..Hα-helixtrans-60.7-45178.8-55.90000112.2H92 N94 P95 A96 S102 F107 V112 Y115 Q119H92-T98 VanDerWaalsContact CB-OG1 3.29Å; H92-T98 WeakPolarHBondContact CB-OG1 3.24Å; H92-T98 WeakPolarHBondContact ND1-CA 3.34Å; H92-T98 PolarHBondContact ND1-OG1 3.35Å; H92-T98 VanDerWaalsContact ND1-OG1 3.1Å; N94-T98 WeakPolarHBondContact O-CB 3.3Å; N94-T98 PolarHBondContact O-N 3.22Å; N94-T98 PolarHBondContact O-OG1 3.1Å; P95-T98 PolarHBondContact O-N 3.49Å; A96-T98 VanDerWaalsContact C-N 3.31Å; A96-T98 PolarHBondContact O-N 2.95Å; T98-S102 WeakPolarHBondContact O-CB 3.43Å; T98-S102 PolarHBondContact O-N 3.39Å; T98-S102 VanDerWaalsContact O-N 3.16Å; T98-F107 HydrophobicContact CG2-CD1 3.84Å; T98-F107 HydrophobicContact CG2-CE1 3.57Å; T98-F107 HydrophobicContact CG2-CZ 4.14Å; T98-V112 HydrophobicContact CG2-CB 4.43Å; T98-V112 HydrophobicContact CG2-CG1 4.29Å; T98-V112 HydrophobicContact CG2-CG2 4.15Å; T98-Y115 HydrophobicContact CG2-CD1 4.11Å; T98-Y115 HydrophobicContact CG2-CG 4.33Å; T98-Q119 PolarHBondContact OG1-NE2 2.91Å
99L98.9Very high96.7Very high46 Ų4632 Ų3224%0.24119%0.193CC..Hα-helixtrans-65.5-47175.2179.563.8000111.5P95 A96 V97 F101 S102 I103 L109 V112 Y261P95-L99 PolarHBondContact O-N 3.29Å; A96-L99 PolarHBondContact O-N 3.26Å; V97-L99 PolarHBondContact O-N 2.81Å; L99-F101 PolarHBondContact O-N 3.31Å; L99-S102 WeakPolarHBondContact O-CA 3.44Å; L99-S102 VanDerWaalsContact O-CB 3.3Å; L99-S102 WeakPolarHBondContact O-CB 3.46Å; L99-S102 PolarHBondContact O-N 2.9Å; L99-I103 HydrophobicContact CD1-CD1 4.26Å; L99-I103 HydrophobicContact CD1-CG1 4.37Å; L99-I103 HydrophobicContact CG-CD1 4.07Å; L99-I103 WeakPolarHBondContact O-CG1 3.2Å; L99-I103 PolarHBondContact O-N 3.05Å; L99-L109 HydrophobicContact CD1-CD1 4.25Å; L99-V112 HydrophobicContact CB-CG1 4.24Å; L99-V112 HydrophobicContact CD1-CG1 4.29Å; L99-Y261 HydrophobicContact CB-CD1 4.23Å; L99-Y261 HydrophobicContact CB-CE1 4.21Å; L99-Y261 HydrophobicContact CD2-CD1 3.6Å; L99-Y261 HydrophobicContact CD2-CE1 4.01Å
100A98.9Very high97.5Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-60.5-47.1-178.100000112.3A96 V97 S102 I103 I104 A264 V265 A268A96-A100 VanDerWaalsContact O-CB 3.31Å; A96-A100 WeakPolarHBondContact O-CB 3.48Å; A96-A100 PolarHBondContact O-N 3.23Å; V97-A100 PolarHBondContact O-N 3.36Å; A100-S102 PolarHBondContact O-N 3.03Å; A100-I103 PolarHBondContact O-N 3.41Å; A100-I104 PolarHBondContact O-N 3.34Å; A100-A264 VanDerWaalsContact CB-C 3.42Å; A100-A264 HydrophobicContact CB-CB 3.72Å; A100-A264 VanDerWaalsContact CB-O 3.28Å; A100-A264 WeakPolarHBondContact CB-O 3.48Å; A100-V265 HydrophobicContact CB-CG2 4.21Å; A100-A268 HydrophobicContact CB-CB 3.88Å
101F98.5Very high97.8Very high18 Ų1845.1 Ų45.18%0.07923%0.23CC..Hα-helixtrans-61.3-31.5174.9-84.4-131.4000111.3H92 V97 L99 I104 G105 K106 F107 A185 L186H92-F101 AromaticContact NE2-CD1 3.62Å; V97-F101 HydrophobicContact CG1-CD2 3.75Å; V97-F101 HydrophobicContact CG1-CE2 3.68Å; V97-F101 HydrophobicContact CG1-CG 4.44Å; V97-F101 HydrophobicContact CG1-CZ 4.3Å; V97-F101 WeakPolarHBondContact O-CB 3.37Å; V97-F101 VanDerWaalsContact O-CD2 3.3Å; V97-F101 WeakPolarHBondContact O-CD2 3.22Å; V97-F101 PolarHBondContact O-N 3.44Å; L99-F101 PolarHBondContact O-N 3.31Å; F101-I104 WeakPolarHBondContact O-CG1 3.48Å; F101-G105 PolarHBondContact O-N 3.12Å; F101-K106 HydrophobicContact CB-CB 4.43Å; F101-K106 HydrophobicContact CD1-CB 4.31Å; F101-K106 CarbonylContact O-C 3.56Å; F101-K106 WeakPolarHBondContact O-CA 3.34Å; F101-K106 PolarHBondContact O-N 3.43Å; F101-F107 HydrophobicContact CB-CB 4.05Å; F101-F107 PolarHBondContact O-N 3.3Å; F101-F107 VanDerWaalsContact O-N 3.13Å; F101-A185 HydrophobicContact CZ-CB 4.22Å; F101-L186 HydrophobicContact CD1-CD2 4.32Å; F101-L186 HydrophobicContact CD2-CD2 4.33Å; F101-L186 HydrophobicContact CE1-CD2 3.74Å; F101-L186 HydrophobicContact CE1-CG 4.46Å; F101-L186 HydrophobicContact CE2-CD1 4.32Å; F101-L186 HydrophobicContact CE2-CD2 3.75Å; F101-L186 HydrophobicContact CE2-CG 3.69Å; F101-L186 HydrophobicContact CZ-CD2 3.42Å; F101-L186 VanDerWaalsContact CZ-CD2 3.42Å; F101-L186 HydrophobicContact CZ-CG 3.64Å
102S98.5Very high98Very high11 Ų1145.3 Ų45.38%0.07723%0.229CC..Hα-helixtrans-71.4-42.2176.1-168.40000113.6T98 L99 A100 I104 G105 F107 L109T98-S102 WeakPolarHBondContact O-CB 3.43Å; T98-S102 PolarHBondContact O-N 3.39Å; T98-S102 VanDerWaalsContact O-N 3.16Å; L99-S102 WeakPolarHBondContact O-CA 3.44Å; L99-S102 VanDerWaalsContact O-CB 3.3Å; L99-S102 WeakPolarHBondContact O-CB 3.46Å; L99-S102 PolarHBondContact O-N 2.9Å; A100-S102 PolarHBondContact O-N 3.03Å; S102-I104 VanDerWaalsContact C-N 3.28Å; S102-I104 PolarHBondContact O-N 3Å; S102-G105 PolarHBondContact O-N 3.27Å; S102-F107 WeakPolarHBondContact CA-O 3.46Å; S102-F107 VanDerWaalsContact CB-O 3.27Å; S102-F107 WeakPolarHBondContact CB-O 3.37Å; S102-F107 PolarHBondContact OG-O 2.93Å; S102-L109 WeakPolarHBondContact OG-CA 3.17Å; S102-L109 WeakPolarHBondContact OG-CB 3.29Å; S102-L109 PolarHBondContact OG-N 3.49Å
103I98.5Very high98Very high93 Ų9347.7 Ų47.748%0.47725%0.246SC..Hα-helixtrans-60.7-38.7178.1-73.1176000111.4L99 A100 G105 V265L99-I103 HydrophobicContact CD1-CD1 4.26Å; L99-I103 HydrophobicContact CD1-CG1 4.37Å; L99-I103 HydrophobicContact CG-CD1 4.07Å; L99-I103 WeakPolarHBondContact O-CG1 3.2Å; L99-I103 PolarHBondContact O-N 3.05Å; A100-I103 PolarHBondContact O-N 3.41Å; I103-G105 PolarHBondContact O-N 2.95Å; I103-V265 HydrophobicContact CD1-CG1 4.01Å; I103-V265 HydrophobicContact CD1-CG2 3.66Å
104I97.6Very high98Very high40 Ų4052.6 Ų52.621%0.20527%0.268CS..THydrogen-bonded Turntrans-84.710.9176.567.2164000113.6A100 F101 S102 K106 L186 A268 I269 E272A100-I104 PolarHBondContact O-N 3.34Å; F101-I104 WeakPolarHBondContact O-CG1 3.48Å; S102-I104 VanDerWaalsContact C-N 3.28Å; S102-I104 PolarHBondContact O-N 3Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 HydrophobicContact CD1-CD 3.84Å; I104-K106 HydrophobicContact CD1-CG 4.01Å; I104-K106 HydrophobicContact CG1-CB 4.44Å; I104-K106 HydrophobicContact CG1-CD 4.47Å; I104-K106 HydrophobicContact CG1-CG 4.08Å; I104-K106 PolarHBondContact O-N 2.79Å; I104-L186 HydrophobicContact CD1-CD1 3.75Å; I104-L186 HydrophobicContact CD1-CD2 3.79Å; I104-L186 HydrophobicContact CD1-CG 4.44Å; I104-A268 HydrophobicContact CD1-CB 4.2Å; I104-A268 HydrophobicContact CG2-CB 4.01Å; I104-I269 HydrophobicContact CG2-CG1 4.29Å; I104-E272 HydrophobicContact CB-CG 4.37Å; I104-E272 HydrophobicContact CD1-CG 3.95Å; I104-E272 HydrophobicContact CG2-CG 4.43Å
105G96.1Very high98Very high67 Ų6752.6 Ų52.669%0.69127%0.267SS*.THydrogen-bonded Turntrans77.81017400000115.9F101 S102 I103F101-G105 PolarHBondContact O-N 3.12Å; S102-G105 PolarHBondContact O-N 3.27Å; I103-G105 PolarHBondContact O-N 2.95Å
106K94.9Very high97.9Very high85 Ų8553.5 Ų53.537%0.3727%0.273SS..SBendtrans-89.5-8176.7-61.1-166.7-161.6-130.10113.9F101 I104 L186 E272F101-K106 HydrophobicContact CB-CB 4.43Å; F101-K106 HydrophobicContact CD1-CB 4.31Å; F101-K106 CarbonylContact O-C 3.56Å; F101-K106 WeakPolarHBondContact O-CA 3.34Å; F101-K106 PolarHBondContact O-N 3.43Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 HydrophobicContact CD1-CD 3.84Å; I104-K106 HydrophobicContact CD1-CG 4.01Å; I104-K106 HydrophobicContact CG1-CB 4.44Å; I104-K106 HydrophobicContact CG1-CD 4.47Å; I104-K106 HydrophobicContact CG1-CG 4.08Å; I104-K106 PolarHBondContact O-N 2.79Å; K106-L186 HydrophobicContact CD-CD2 3.73Å; K106-E272 WeakPolarHBondContact CE-OE1 3.38Å; K106-E272 IonicContact NZ-OE1 3.9Å; K106-E272 PolarHBondContact NZ-OE1 3.41Å
107F96.3Very high97.9Very high19 Ų1958.1 Ų58.18%0.08330%0.297CS..SBendtrans-143.9139.5177.9-167.5-95.7000111.9H92 T98 F101 S102 L109 R111 V112 Y115H92-F107 AromaticContact CE1-CD2 3.67Å; H92-F107 AromaticContact CE1-CG 4Å; T98-F107 HydrophobicContact CG2-CD1 3.84Å; T98-F107 HydrophobicContact CG2-CE1 3.57Å; T98-F107 HydrophobicContact CG2-CZ 4.14Å; F101-F107 HydrophobicContact CB-CB 4.05Å; F101-F107 PolarHBondContact O-N 3.3Å; F101-F107 VanDerWaalsContact O-N 3.13Å; S102-F107 WeakPolarHBondContact CA-O 3.46Å; S102-F107 VanDerWaalsContact CB-O 3.27Å; S102-F107 WeakPolarHBondContact CB-O 3.37Å; S102-F107 PolarHBondContact OG-O 2.93Å; F107-L109 PolarHBondContact O-N 3.31Å; F107-R111 HydrophobicContact CE1-CB 3.65Å; F107-R111 HydrophobicContact CZ-CB 3.88Å; F107-V112 HydrophobicContact CD1-CG2 4.04Å; F107-V112 HydrophobicContact CE1-CG2 4.24Å; F107-Y115 HydrophobicContact CE1-CD1 4.31Å; F107-Y115 HydrophobicContact CE1-CE1 4.5Å; F107-Y115 HydrophobicContact CE1-CG 4.38Å; F107-Y115 HydrophobicContact CE2-CD1 4.2Å; F107-Y115 AromaticContact CE2-CE1 3.66Å; F107-Y115 HydrophobicContact CE2-CE1 3.66Å; F107-Y115 AromaticContact CE2-CZ 3.89Å; F107-Y115 AromaticContact CZ-CD1 3.56Å; F107-Y115 HydrophobicContact CZ-CD1 3.56Å; F107-Y115 HydrophobicContact CZ-CD2 4.02Å; F107-Y115 AromaticContact CZ-CE1 3.38Å; F107-Y115 HydrophobicContact CZ-CE1 3.38Å; F107-Y115 AromaticContact CZ-CE2 3.87Å; F107-Y115 HydrophobicContact CZ-CE2 3.87Å; F107-Y115 AromaticContact CZ-CG 3.88Å; F107-Y115 HydrophobicContact CZ-CG 3.88Å; F107-Y115 AromaticContact CZ-CZ 3.52Å
108P96.9Very high97.9Very high61 Ų6158.5 Ų58.540%0.39630%0.299SS..  trans-70.1121.1-177.627-35.5000112.3R110 R111P108-R110 PolarHBondContact O-N 3.4Å; P108-R110 VanDerWaalsContact O-N 3.14Å; P108-R111 HydrophobicContact CB-CG 4.3Å; P108-R111 HydrophobicContact CG-CB 4.11Å; P108-R111 VanDerWaalsContact CG-CD 3.47Å; P108-R111 HydrophobicContact CG-CG 3.69Å; P108-R111 WeakPolarHBondContact O-CB 3.37Å; P108-R111 PolarHBondContact O-N 2.95Å
109L97.6Very high97.9Very high112 Ų11258.5 Ų58.559%0.58630%0.299SS*.G310 helixtrans-55.4-36.9-175.7-174.162.3000113.6L99 S102 F107 R111 V112L99-L109 HydrophobicContact CD1-CD1 4.25Å; S102-L109 WeakPolarHBondContact OG-CA 3.17Å; S102-L109 WeakPolarHBondContact OG-CB 3.29Å; S102-L109 PolarHBondContact OG-N 3.49Å; F107-L109 PolarHBondContact O-N 3.31Å; L109-R111 PolarHBondContact O-N 3.22Å; L109-R111 VanDerWaalsContact O-N 3.14Å; L109-V112 HydrophobicContact CD1-CG2 4.16Å; L109-V112 WeakPolarHBondContact O-CB 3.44Å; L109-V112 WeakPolarHBondContact O-CG2 3.41Å; L109-V112 PolarHBondContact O-N 2.89Å; L109-V112 VanDerWaalsContact O-N 3.11Å
110R97.5Very high97.9Very high231 Ų23157.7 Ų57.787%0.87230%0.295SS*.G310 helixtrans-62.2-21178.3-63.6-177.4-177.3168.81113.8P108 F114P108-R110 PolarHBondContact O-N 3.4Å; P108-R110 VanDerWaalsContact O-N 3.14Å; R110-F114 WeakPolarHBondContact O-CD2 3.45Å
111R97.4Very high97.9Very high108 Ų10862.1 Ų62.141%0.40832%0.318SS..G310 helixtrans-88.5-19.2178.6-63.3-168.1-172.4167.21.1113.1F29 F107 P108 L109 F114 Y115F29-R111 HydrophobicContact CD2-CG 4.03Å; F29-R111 HydrophobicContact CE2-CB 3.83Å; F29-R111 HydrophobicContact CE2-CG 3.52Å; F29-R111 HydrophobicContact CZ-CB 4.48Å; F29-R111 HydrophobicContact CZ-CG 4.23Å; F107-R111 HydrophobicContact CE1-CB 3.65Å; F107-R111 HydrophobicContact CZ-CB 3.88Å; P108-R111 HydrophobicContact CB-CG 4.3Å; P108-R111 HydrophobicContact CG-CB 4.11Å; P108-R111 VanDerWaalsContact CG-CD 3.47Å; P108-R111 HydrophobicContact CG-CG 3.69Å; P108-R111 WeakPolarHBondContact O-CB 3.37Å; P108-R111 PolarHBondContact O-N 2.95Å; L109-R111 PolarHBondContact O-N 3.22Å; L109-R111 VanDerWaalsContact O-N 3.14Å; R111-F114 PolarHBondContact O-N 3.24Å; R111-Y115 HydrophobicContact CB-CD2 4.35Å; R111-Y115 HydrophobicContact CB-CE2 4.46Å; R111-Y115 PolarHBondContact O-N 2.88Å
112V98.5Very high98Very high13 Ų1361.2 Ų61.28%0.07932%0.315CS..Hα-helixtrans-53.6-49.1-175178.40000111.7T98 L99 F107 L109 F114 Y115 T116T98-V112 HydrophobicContact CG2-CB 4.43Å; T98-V112 HydrophobicContact CG2-CG1 4.29Å; T98-V112 HydrophobicContact CG2-CG2 4.15Å; L99-V112 HydrophobicContact CB-CG1 4.24Å; L99-V112 HydrophobicContact CD1-CG1 4.29Å; F107-V112 HydrophobicContact CD1-CG2 4.04Å; F107-V112 HydrophobicContact CE1-CG2 4.24Å; L109-V112 HydrophobicContact CD1-CG2 4.16Å; L109-V112 WeakPolarHBondContact O-CB 3.44Å; L109-V112 WeakPolarHBondContact O-CG2 3.41Å; L109-V112 PolarHBondContact O-N 2.89Å; L109-V112 VanDerWaalsContact O-N 3.11Å; V112-F114 VanDerWaalsContact C-N 3.34Å; V112-F114 PolarHBondContact O-N 3.37Å; V112-Y115 PolarHBondContact O-N 3.08Å; V112-T116 WeakPolarHBondContact O-CB 3.45Å; V112-T116 PolarHBondContact O-N 3.35Å; V112-T116 PolarHBondContact O-OG1 2.83Å
113P98.6Very high98Very high74 Ų7460.7 Ų60.748%0.48131%0.311SS..Hα-helixtrans-61.6-39.4-178.6-23.835.3000113.6T116 I117P113-T116 PolarHBondContact O-N 2.94Å; P113-I117 VanDerWaalsContact O-CG1 3.29Å; P113-I117 WeakPolarHBondContact O-CG1 3.43Å; P113-I117 PolarHBondContact O-N 3.33Å
114F98.5Very high98Very high111 Ų11158.1 Ų58.149%0.48730%0.296SS..Hα-helixtrans-71-37.3-179.5-60.2-84.3000112.2F29 R110 R111 V112 S118F29-F114 HydrophobicContact CE1-CB 4.37Å; F29-F114 HydrophobicContact CE1-CD1 4.43Å; F29-F114 HydrophobicContact CE1-CD2 4.21Å; F29-F114 HydrophobicContact CE1-CG 4.09Å; F29-F114 HydrophobicContact CE2-CB 4.32Å; F29-F114 HydrophobicContact CZ-CB 3.56Å; F29-F114 HydrophobicContact CZ-CD1 4.35Å; F29-F114 AromaticContact CZ-CD2 3.63Å; F29-F114 HydrophobicContact CZ-CD2 3.63Å; F29-F114 HydrophobicContact CZ-CE2 4.39Å; F29-F114 AromaticContact CZ-CG 3.59Å; F29-F114 HydrophobicContact CZ-CG 3.59Å; R110-F114 WeakPolarHBondContact O-CD2 3.45Å; R111-F114 PolarHBondContact O-N 3.24Å; V112-F114 VanDerWaalsContact C-N 3.34Å; V112-F114 PolarHBondContact O-N 3.37Å; F114-S118 WeakPolarHBondContact O-CB 3.4Å; F114-S118 PolarHBondContact O-N 3.22Å; F114-S118 PolarHBondContact O-OG 3.25Å
115Y98.4Very high98.1Very high5 Ų559.2 Ų59.22%0.0230%0.304CS..Hα-helixtrans-63.9-47.9171.7-89.4-131.1000110.2F29 A32 E36 S90 T98 F107 R111 V112 I117 S118 Q119F29-Y115 HydrophobicContact CD2-CE2 4.47Å; F29-Y115 HydrophobicContact CE2-CD2 4.36Å; F29-Y115 HydrophobicContact CE2-CE2 4.09Å; A32-Y115 HydrophobicContact CB-CE2 4.25Å; A32-Y115 WeakPolarHBondContact CB-OH 3.39Å; E36-Y115 HydrophobicContact CG-CD1 3.5Å; E36-Y115 VanDerWaalsContact CG-CD1 3.5Å; E36-Y115 HydrophobicContact CG-CE1 3.43Å; E36-Y115 VanDerWaalsContact CG-CE1 3.43Å; E36-Y115 HydrophobicContact CG-CG 4.16Å; S90-Y115 WeakPolarHBondContact OG-CE1 3.42Å; T98-Y115 HydrophobicContact CG2-CD1 4.11Å; T98-Y115 HydrophobicContact CG2-CG 4.33Å; F107-Y115 HydrophobicContact CE1-CD1 4.31Å; F107-Y115 HydrophobicContact CE1-CE1 4.5Å; F107-Y115 HydrophobicContact CE1-CG 4.38Å; F107-Y115 HydrophobicContact CE2-CD1 4.2Å; F107-Y115 AromaticContact CE2-CE1 3.66Å; F107-Y115 HydrophobicContact CE2-CE1 3.66Å; F107-Y115 AromaticContact CE2-CZ 3.89Å; F107-Y115 AromaticContact CZ-CD1 3.56Å; F107-Y115 HydrophobicContact CZ-CD1 3.56Å; F107-Y115 HydrophobicContact CZ-CD2 4.02Å; F107-Y115 AromaticContact CZ-CE1 3.38Å; F107-Y115 HydrophobicContact CZ-CE1 3.38Å; F107-Y115 AromaticContact CZ-CE2 3.87Å; F107-Y115 HydrophobicContact CZ-CE2 3.87Å; F107-Y115 AromaticContact CZ-CG 3.88Å; F107-Y115 HydrophobicContact CZ-CG 3.88Å; F107-Y115 AromaticContact CZ-CZ 3.52Å; R111-Y115 HydrophobicContact CB-CD2 4.35Å; R111-Y115 HydrophobicContact CB-CE2 4.46Å; R111-Y115 PolarHBondContact O-N 2.88Å; V112-Y115 PolarHBondContact O-N 3.08Å; Y115-I117 PolarHBondContact O-N 2.64Å; Y115-S118 PolarHBondContact O-N 3.48Å; Y115-S118 VanDerWaalsContact O-N 3.12Å; Y115-Q119 WeakPolarHBondContact O-CB 3.25Å; Y115-Q119 WeakPolarHBondContact O-CG 3.28Å; Y115-Q119 PolarHBondContact O-N 2.98Å; Y115-Q119 PolarHBondContact O-OE1 3.13Å
116T98.9Very high98.2Very high20 Ų2056 Ų5612%0.12327%0.272CS..Hα-helixtrans-56.4-46.6177.6-63.50000112.1P95 V112 P113 Q119 I120P95-T116 HydrophobicContact CB-CG2 3.88Å; P95-T116 HydrophobicContact CG-CG2 3.95Å; V112-T116 WeakPolarHBondContact O-CB 3.45Å; V112-T116 PolarHBondContact O-N 3.35Å; V112-T116 PolarHBondContact O-OG1 2.83Å; P113-T116 PolarHBondContact O-N 2.94Å; T116-Q119 PolarHBondContact O-N 3.46Å; T116-I120 HydrophobicContact CG2-CD1 3.7Å; T116-I120 HydrophobicContact CG2-CG1 4.48Å; T116-I120 WeakPolarHBondContact O-CB 3.35Å; T116-I120 VanDerWaalsContact O-CG1 3.27Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 3.49Å
117I98.8Very high98.4Very high97 Ų9752 Ų5250%0.49725%0.254SS..Hα-helixtrans-60.8-47.5176.2-69.2163.7000110.5P113 Y115 Q119 I120 L121P113-I117 VanDerWaalsContact O-CG1 3.29Å; P113-I117 WeakPolarHBondContact O-CG1 3.43Å; P113-I117 PolarHBondContact O-N 3.33Å; Y115-I117 PolarHBondContact O-N 2.64Å; I117-Q119 VanDerWaalsContact C-N 3.33Å; I117-Q119 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 3.48Å; I117-L121 HydrophobicContact CG2-CD1 3.87Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 2.96Å
118S98.7Very high98.5Very high17 Ų1754.3 Ų54.312%0.11927%0.267CS..Hα-helixtrans-61.4-42.2-179.6-55.60000111.9C33 F37 F114 Y115 G122C33-S118 WeakPolarHBondContact CB-OG 3.49Å; C33-S118 VanDerWaalsContact O-CB 3.29Å; C33-S118 WeakPolarHBondContact O-CB 3.38Å; F37-S118 WeakPolarHBondContact CA-O 3.45Å; F114-S118 WeakPolarHBondContact O-CB 3.4Å; F114-S118 PolarHBondContact O-N 3.22Å; F114-S118 PolarHBondContact O-OG 3.25Å; Y115-S118 PolarHBondContact O-N 3.48Å; Y115-S118 VanDerWaalsContact O-N 3.12Å; S118-G122 PolarHBondContact O-N 2.83Å
119Q98.9Very high98.6Very high0 Ų053.6 Ų53.60%027%0.266CS..Hα-helixtrans-66.2-45.2177.9-68.5160-11.200111.3E36 T40 N94 P95 T98 Y115 T116 I117 G122 A123 A227E36-Q119 HydrophobicContact CB-CG 4.11Å; E36-Q119 PolarHBondContact OE2-NE2 3.16Å; T40-Q119 HydrophobicContact CG2-CB 4.36Å; T40-Q119 VanDerWaalsContact CG2-O 3.24Å; T40-Q119 WeakPolarHBondContact CG2-O 3.46Å; N94-Q119 VanDerWaalsContact C-OE1 3.26Å; P95-Q119 VanDerWaalsContact CA-OE1 3.3Å; P95-Q119 HydrophobicContact CG-CB 4.37Å; P95-Q119 VanDerWaalsContact CG-OE1 3.3Å; T98-Q119 PolarHBondContact OG1-NE2 2.91Å; Y115-Q119 WeakPolarHBondContact O-CB 3.25Å; Y115-Q119 WeakPolarHBondContact O-CG 3.28Å; Y115-Q119 PolarHBondContact O-N 2.98Å; Y115-Q119 PolarHBondContact O-OE1 3.13Å; T116-Q119 PolarHBondContact O-N 3.46Å; I117-Q119 VanDerWaalsContact C-N 3.33Å; I117-Q119 PolarHBondContact O-N 3.35Å; Q119-G122 PolarHBondContact O-N 2.76Å; Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.25Å; Q119-A227 HydrophobicContact CB-CB 3.82Å
120I98.9Very high98.7Very high30 Ų3048.9 Ų48.915%0.15424%0.242CC..Hα-helixtrans-62.3-45.1176.9-69.7164.2000111T116 I117 A123 F124 A227 L230 L234T116-I120 HydrophobicContact CG2-CD1 3.7Å; T116-I120 HydrophobicContact CG2-CG1 4.48Å; T116-I120 WeakPolarHBondContact O-CB 3.35Å; T116-I120 VanDerWaalsContact O-CG1 3.27Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 3.49Å; I117-I120 PolarHBondContact O-N 3.48Å; I120-A123 PolarHBondContact O-N 2.97Å; I120-F124 WeakPolarHBondContact O-CB 3.37Å; I120-F124 PolarHBondContact O-N 2.86Å; I120-A227 HydrophobicContact CG1-CB 4.08Å; I120-L230 HydrophobicContact CD1-CD2 3.87Å; I120-L230 HydrophobicContact CG1-CD2 4.47Å; I120-L234 HydrophobicContact CG2-CD1 4.21Å
121L98.9Very high98.7Very high92 Ų9239 Ų3948%0.48221%0.205SC..Hα-helixtrans-64.5-40.7176.9-70.4176.6000111.6F37 I117 F124 V125F37-L121 HydrophobicContact CD2-CB 3.84Å; F37-L121 HydrophobicContact CE2-CB 3.87Å; I117-L121 HydrophobicContact CG2-CD1 3.87Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.4Å; I117-L121 PolarHBondContact O-N 2.96Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.37Å; L121-V125 WeakPolarHBondContact O-CG2 3.41Å; L121-V125 PolarHBondContact O-N 3.06Å
122G98.9Very high98.8Very high0 Ų036.2 Ų36.20%021%0.209CC..Hα-helixtrans-59.7-48.1174.100000111.1F37 A41 S118 Q119 F124 V125 G126F37-G122 VanDerWaalsContact CD2-N 3.28Å; F37-G122 WeakPolarHBondContact O-CA 3.35Å; A41-G122 WeakPolarHBondContact CA-O 3.45Å; A41-G122 WeakPolarHBondContact CB-O 3.12Å; S118-G122 PolarHBondContact O-N 2.83Å; Q119-G122 PolarHBondContact O-N 2.76Å; G122-F124 VanDerWaalsContact C-N 3.35Å; G122-F124 PolarHBondContact O-N 3.18Å; G122-V125 PolarHBondContact O-N 2.81Å; G122-G126 PolarHBondContact O-N 3.24Å
123A99Very high98.8Very high0 Ų040.9 Ų40.90%024%0.237CC..Hα-helixtrans-62.1-40.9178.300000112.7T40 M44 Q119 I120 S127 A227T40-A123 HydrophobicContact CG2-CB 3.84Å; M44-A123 VanDerWaalsContact CG-CA 3.45Å; M44-A123 HydrophobicContact CG-CB 3.67Å; M44-A123 HydrophobicContact SD-CB 4.45Å; Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.25Å; I120-A123 PolarHBondContact O-N 2.97Å; A123-S127 WeakPolarHBondContact O-CB 3.26Å; A123-S127 PolarHBondContact O-N 3.28Å; A123-S127 PolarHBondContact O-OG 3Å; A123-A227 HydrophobicContact CB-CB 4.37Å; A123-A227 WeakPolarHBondContact CB-O 3.29Å
124F98.9Very high98.8Very high39 Ų3939.3 Ų39.317%0.17122%0.222CC..Hα-helixtrans-57.7-53.3172.7175-83.2000111.2I120 L121 G122 S127 L128 L234 M235 M238I120-F124 WeakPolarHBondContact O-CB 3.37Å; I120-F124 PolarHBondContact O-N 2.86Å; L121-F124 WeakPolarHBondContact O-CB 3.38Å; L121-F124 PolarHBondContact O-N 3.37Å; G122-F124 VanDerWaalsContact C-N 3.35Å; G122-F124 PolarHBondContact O-N 3.18Å; F124-S127 PolarHBondContact O-N 3.4Å; F124-L128 HydrophobicContact CE1-CD2 4.03Å; F124-L128 WeakPolarHBondContact O-CB 3.4Å; F124-L128 PolarHBondContact O-N 2.9Å; F124-L234 HydrophobicContact CD2-CB 3.95Å; F124-L234 HydrophobicContact CE2-CB 4.29Å; F124-M235 HydrophobicContact CD2-CB 3.73Å; F124-M235 VanDerWaalsContact CE2-CA 3.44Å; F124-M235 HydrophobicContact CE2-CB 3.8Å; F124-M235 HydrophobicContact CE2-CG 4.46Å; F124-M235 HydrophobicContact CG-CB 4.43Å; F124-M238 HydrophobicContact CE2-SD 3.73Å; F124-M238 HydrophobicContact CZ-CE 4.24Å; F124-M238 HydrophobicContact CZ-SD 3.78Å
125V98.9Very high98.8Very high62 Ų6239.5 Ų39.538%0.37622%0.22SC..Hα-helixtrans-66.1-42.3-176.3171.10000111.6F37 L121 G122 S127 L128 A129F37-V125 HydrophobicContact CE2-CB 4.43Å; F37-V125 HydrophobicContact CE2-CG2 4.06Å; F37-V125 HydrophobicContact CZ-CB 4.06Å; F37-V125 HydrophobicContact CZ-CG1 4.26Å; F37-V125 HydrophobicContact CZ-CG2 3.89Å; L121-V125 WeakPolarHBondContact O-CG2 3.41Å; L121-V125 PolarHBondContact O-N 3.06Å; G122-V125 PolarHBondContact O-N 2.81Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 2.9Å; V125-L128 PolarHBondContact O-N 2.79Å; V125-A129 PolarHBondContact O-N 3.37Å
126G98.9Very high98.8Very high0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-63.2-39177.100000112.6A41 G122 A129 I130A41-G126 WeakPolarHBondContact O-CA 3.41Å; G122-G126 PolarHBondContact O-N 3.24Å; G126-A129 PolarHBondContact O-N 3.43Å; G126-I130 PolarHBondContact O-N 3.14Å
127S98.9Very high98.8Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-68.4-40.6174.7-53.60000112A123 F124 V125 A129 I130 Y131 F159 P232A123-S127 WeakPolarHBondContact O-CB 3.26Å; A123-S127 PolarHBondContact O-N 3.28Å; A123-S127 PolarHBondContact O-OG 3Å; F124-S127 PolarHBondContact O-N 3.4Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 2.9Å; S127-A129 VanDerWaalsContact C-N 3.3Å; S127-A129 PolarHBondContact O-N 3.35Å; S127-I130 PolarHBondContact O-N 2.84Å; S127-Y131 PolarHBondContact O-N 3.35Å; S127-F159 WeakPolarHBondContact O-CE1 3.44Å; S127-P232 WeakPolarHBondContact OG-CB 3.38Å; S127-P232 VanDerWaalsContact OG-CG 3.28Å; S127-P232 WeakPolarHBondContact OG-CG 3.28Å
128L98.9Very high98.8Very high69 Ų6945.5 Ų45.536%0.36124%0.244SC..Hα-helixtrans-61.5-38.8176.2-178.463000111.6F124 V125 Y131 G132 M235F124-L128 HydrophobicContact CE1-CD2 4.03Å; F124-L128 WeakPolarHBondContact O-CB 3.4Å; F124-L128 PolarHBondContact O-N 2.9Å; V125-L128 PolarHBondContact O-N 2.79Å; L128-Y131 HydrophobicContact CD1-CD1 4.31Å; L128-Y131 PolarHBondContact O-N 3Å; L128-G132 PolarHBondContact O-N 3.47Å; L128-M235 HydrophobicContact CB-CG 4.04Å; L128-M235 HydrophobicContact CD1-CG 4.19Å
129A98.9Very high98.7Very high46 Ų4647.2 Ų47.238%0.3825%0.25SC..Hα-helixtrans-60.8-45.3174.800000111.6I45 V125 G126 S127 G132 V133I45-A129 HydrophobicContact CD1-CB 4.48Å; I45-A129 HydrophobicContact CG1-CB 4.28Å; V125-A129 PolarHBondContact O-N 3.37Å; G126-A129 PolarHBondContact O-N 3.43Å; S127-A129 VanDerWaalsContact C-N 3.3Å; S127-A129 PolarHBondContact O-N 3.35Å; A129-G132 PolarHBondContact O-N 3.11Å; A129-V133 WeakPolarHBondContact O-CG2 3.47Å; A129-V133 PolarHBondContact O-N 3.19Å
130I98.8Very high98.7Very high13 Ų1349.7 Ų49.77%0.06726%0.261CS..Hα-helixtrans-68.1-38.9176.7-66.2-60.7000111.9I45 A52 G126 S127 G132 V133 Y134 F159I45-I130 HydrophobicContact CB-CG1 4.48Å; I45-I130 HydrophobicContact CG2-CD1 4.12Å; I45-I130 VanDerWaalsContact O-CD1 3.24Å; I45-I130 WeakPolarHBondContact O-CD1 3.45Å; I45-I130 WeakPolarHBondContact O-CG1 3.28Å; A52-I130 HydrophobicContact CB-CG2 4.22Å; G126-I130 PolarHBondContact O-N 3.14Å; S127-I130 PolarHBondContact O-N 2.84Å; I130-G132 VanDerWaalsContact C-N 3.29Å; I130-G132 PolarHBondContact O-N 3.19Å; I130-V133 PolarHBondContact O-N 2.66Å; I130-Y134 HydrophobicContact CG2-CD2 3.82Å; I130-Y134 HydrophobicContact CG2-CE2 4.22Å; I130-Y134 WeakPolarHBondContact O-CD2 3.29Å; I130-Y134 PolarHBondContact O-N 3.04Å; I130-F159 HydrophobicContact CB-CE1 4.18Å; I130-F159 HydrophobicContact CG2-CE1 3.94Å; I130-F159 HydrophobicContact CG2-CZ 4.48Å
131Y98.8Very high98.6Very high24 Ų2449.9 Ų49.99%0.09426%0.26CS..Hα-helixtrans-56.7-44.6171.3174.9-105.2000111.5S127 L128 Y134 Y135 I138 H139 F159 M235 C239 W241S127-Y131 PolarHBondContact O-N 3.35Å; L128-Y131 HydrophobicContact CD1-CD1 4.31Å; L128-Y131 PolarHBondContact O-N 3Å; Y131-Y134 CarbonylContact O-C 3.46Å; Y131-Y134 PolarHBondContact O-N 3.49Å; Y131-Y135 AromaticContact CE1-CD2 3.8Å; Y131-Y135 HydrophobicContact CE1-CD2 3.8Å; Y131-Y135 HydrophobicContact CE1-CE2 4.26Å; Y131-Y135 HydrophobicContact CE2-CD2 4.26Å; Y131-Y135 AromaticContact CZ-CD2 3.57Å; Y131-Y135 AromaticContact CZ-CE2 3.89Å; Y131-Y135 VanDerWaalsContact O-CA 3.23Å; Y131-Y135 WeakPolarHBondContact O-CA 3.46Å; Y131-Y135 WeakPolarHBondContact O-CB 3.24Å; Y131-Y135 PolarHBondContact O-N 2.86Å; Y131-Y135 WeakPolarHBondContact OH-CD2 3.46Å; Y131-Y135 VanDerWaalsContact OH-CE2 3.25Å; Y131-Y135 WeakPolarHBondContact OH-CE2 3.46Å; Y131-I138 HydrophobicContact CD2-CD1 3.82Å; Y131-I138 HydrophobicContact CE2-CD1 4.37Å; Y131-H139 PolarHBondContact OH-NE2 3.26Å; Y131-F159 HydrophobicContact CD2-CE2 4.41Å; Y131-F159 HydrophobicContact CD2-CZ 4.3Å; Y131-M235 HydrophobicContact CG-SD 4.29Å; Y131-C239 HydrophobicContact CD1-CB 4.23Å; Y131-C239 HydrophobicContact CE1-CB 3.85Å; Y131-C239 HydrophobicContact CE2-CB 4.27Å; Y131-C239 PolarHBondContact OH-O 3.07Å; Y131-W241 HydrophobicContact CD2-CH2 4.03Å; Y131-W241 HydrophobicContact CD2-CZ3 4.04Å; Y131-W241 AromaticContact CE2-CH2 3.87Å; Y131-W241 HydrophobicContact CE2-CH2 3.87Å; Y131-W241 AromaticContact CE2-CZ3 3.74Å; Y131-W241 HydrophobicContact CE2-CZ3 3.74Å
132G98.8Very high98.6Very high48 Ų4845.6 Ų45.650%0.49524%0.238SC..Hα-helixtrans-61.2-45.4175.800000113.1L128 A129 I130 Y134 Y135L128-G132 PolarHBondContact O-N 3.47Å; A129-G132 PolarHBondContact O-N 3.11Å; I130-G132 VanDerWaalsContact C-N 3.29Å; I130-G132 PolarHBondContact O-N 3.19Å; G132-Y134 PolarHBondContact O-N 3.46Å; G132-Y135 PolarHBondContact O-N 3.24Å
133V98.7Very high98.5Very high111 Ų11151.7 Ų51.767%0.67327%0.27SS*.Hα-helixtrans-65.7-37.5-180172.20000112.4A129 I130A129-V133 WeakPolarHBondContact O-CG2 3.47Å; A129-V133 PolarHBondContact O-N 3.19Å; I130-V133 PolarHBondContact O-N 2.66Å
134Y98.5Very high98.4Very high41 Ų4156 Ų5616%0.16130%0.296CS..THydrogen-bonded Turntrans-103.114.3-178.3-69.5-92.5000113.6A52 Q53 L56 I130 Y131 G132 E136 K137 I138A52-Y134 HydrophobicContact CB-CD1 3.82Å; A52-Y134 HydrophobicContact CB-CD2 3.68Å; A52-Y134 HydrophobicContact CB-CE1 3.87Å; A52-Y134 HydrophobicContact CB-CE2 3.74Å; A52-Y134 HydrophobicContact CB-CG 3.72Å; Q53-Y134 VanDerWaalsContact CG-OH 3.32Å; Q53-Y134 WeakPolarHBondContact CG-OH 3.49Å; Q53-Y134 PolarHBondContact NE2-OH 3.26Å; L56-Y134 HydrophobicContact CD1-CD1 3.86Å; L56-Y134 HydrophobicContact CD1-CG 4.21Å; I130-Y134 HydrophobicContact CG2-CD2 3.82Å; I130-Y134 HydrophobicContact CG2-CE2 4.22Å; I130-Y134 WeakPolarHBondContact O-CD2 3.29Å; I130-Y134 PolarHBondContact O-N 3.04Å; Y131-Y134 CarbonylContact O-C 3.46Å; Y131-Y134 PolarHBondContact O-N 3.49Å; G132-Y134 PolarHBondContact O-N 3.46Å; Y134-E136 PolarHBondContact O-N 2.93Å; Y134-K137 PolarHBondContact O-N 3.4Å; Y134-I138 WeakPolarHBondContact O-CG1 3.39Å; Y134-I138 PolarHBondContact O-N 2.93Å
135Y98.7Very high98.2Very high116 Ų11658.9 Ų58.946%0.45531%0.306SS..Hα-helixtrans-50-54.8-173.4176.9-91000111.6Y131 G132 K137 I138 H139Y131-Y135 AromaticContact CE1-CD2 3.8Å; Y131-Y135 HydrophobicContact CE1-CD2 3.8Å; Y131-Y135 HydrophobicContact CE1-CE2 4.26Å; Y131-Y135 HydrophobicContact CE2-CD2 4.26Å; Y131-Y135 AromaticContact CZ-CD2 3.57Å; Y131-Y135 AromaticContact CZ-CE2 3.89Å; Y131-Y135 VanDerWaalsContact O-CA 3.23Å; Y131-Y135 WeakPolarHBondContact O-CA 3.46Å; Y131-Y135 WeakPolarHBondContact O-CB 3.24Å; Y131-Y135 PolarHBondContact O-N 2.86Å; Y131-Y135 WeakPolarHBondContact OH-CD2 3.46Å; Y131-Y135 VanDerWaalsContact OH-CE2 3.25Å; Y131-Y135 WeakPolarHBondContact OH-CE2 3.46Å; G132-Y135 PolarHBondContact O-N 3.24Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 3.4Å; Y135-I138 PolarHBondContact O-N 2.91Å; Y135-H139 AromaticContact CD1-CD2 3.97Å; Y135-H139 AromaticContact CD2-CD2 3.72Å; Y135-H139 AromaticContact CD2-NE2 3.77Å; Y135-H139 AromaticContact CE1-CD2 3.7Å; Y135-H139 AromaticContact CE2-CD2 3.46Å; Y135-H139 VanDerWaalsContact CE2-CD2 3.46Å; Y135-H139 WeakPolarHBondContact CE2-CD2 3.43Å; Y135-H139 AromaticContact CE2-NE2 3.21Å; Y135-H139 WeakPolarHBondContact CE2-NE2 3.33Å; Y135-H139 AromaticContact CG-CD2 3.96Å; Y135-H139 AromaticContact CZ-CD2 3.43Å; Y135-H139 VanDerWaalsContact CZ-CD2 3.43Å; Y135-H139 AromaticContact CZ-NE2 3.47Å; Y135-H139 PolarHBondContact O-CD2 3.4Å; Y135-H139 PolarHBondContact O-N 3.45Å
136E97.9Very high98.1Very high154 Ų15456.9 Ų56.972%0.7229%0.293SS*.Hα-helixtrans-60.1-42.4-178.9-65.7-178.8178.900112.1Y134 H139 E140Y134-E136 PolarHBondContact O-N 2.93Å; E136-H139 PolarHBondContact O-N 2.92Å; E136-E140 WeakPolarHBondContact O-CB 3.4Å; E136-E140 PolarHBondContact O-N 3.29Å
137K98Very high97.9Very high94 Ų9464.4 Ų64.441%0.40933%0.333SS..Hα-helixtrans-71.1-33.5-178.8-65.7-63.6171.8-166.80113.1L56 Y134 Y135 E140 Y141L56-K137 HydrophobicContact CB-CB 4.3Å; L56-K137 HydrophobicContact CD1-CB 3.88Å; Y134-K137 PolarHBondContact O-N 3.4Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 3.4Å; K137-E140 WeakPolarHBondContact CD-OE2 3.41Å; K137-E140 IonicContact NZ-OE2 2.76Å; K137-E140 PolarHBondContact NZ-OE2 2.92Å; K137-Y141 WeakPolarHBondContact O-CB 3.29Å; K137-Y141 PolarHBondContact O-N 3.41Å
138I98.7Very high97.8Very high0 Ų066.5 Ų66.50%036%0.355CS..Hα-helixtrans-65.6-46.3173.3-71.3168.8000110.3L56 Y131 Y134 Y135 Y141 A142 L150 T155 I158 F159 W241L56-I138 HydrophobicContact CD1-CG1 3.74Å; L56-I138 HydrophobicContact CD2-CG1 4.43Å; Y131-I138 HydrophobicContact CD2-CD1 3.82Å; Y131-I138 HydrophobicContact CE2-CD1 4.37Å; Y134-I138 WeakPolarHBondContact O-CG1 3.39Å; Y134-I138 PolarHBondContact O-N 2.93Å; Y135-I138 PolarHBondContact O-N 2.91Å; I138-Y141 PolarHBondContact O-N 3.35Å; I138-A142 PolarHBondContact O-N 3.27Å; I138-L150 HydrophobicContact CG2-CD2 3.63Å; I138-T155 HydrophobicContact CG2-CG2 4.26Å; I138-I158 HydrophobicContact CD1-CD1 4.38Å; I138-I158 HydrophobicContact CG1-CD1 4.09Å; I138-F159 HydrophobicContact CD1-CE2 3.94Å; I138-F159 HydrophobicContact CD1-CZ 3.83Å; I138-W241 HydrophobicContact CG2-CH2 3.89Å; I138-W241 HydrophobicContact CG2-CZ2 4.12Å
139H98.3Very high97.7Very high53 Ų5366.2 Ų66.225%0.24536%0.359CS..Hα-helixtrans-71.3-35.1179.1-77.9-75.1000112.5Y131 Y135 E136 A142 L143Y131-H139 PolarHBondContact OH-NE2 3.26Å; Y135-H139 AromaticContact CD1-CD2 3.97Å; Y135-H139 AromaticContact CD2-CD2 3.72Å; Y135-H139 AromaticContact CD2-NE2 3.77Å; Y135-H139 AromaticContact CE1-CD2 3.7Å; Y135-H139 AromaticContact CE2-CD2 3.46Å; Y135-H139 VanDerWaalsContact CE2-CD2 3.46Å; Y135-H139 WeakPolarHBondContact CE2-CD2 3.43Å; Y135-H139 AromaticContact CE2-NE2 3.21Å; Y135-H139 WeakPolarHBondContact CE2-NE2 3.33Å; Y135-H139 AromaticContact CG-CD2 3.96Å; Y135-H139 AromaticContact CZ-CD2 3.43Å; Y135-H139 VanDerWaalsContact CZ-CD2 3.43Å; Y135-H139 AromaticContact CZ-NE2 3.47Å; Y135-H139 PolarHBondContact O-CD2 3.4Å; Y135-H139 PolarHBondContact O-N 3.45Å; E136-H139 PolarHBondContact O-N 2.92Å; H139-A142 PolarHBondContact O-N 3.45Å; H139-L143 WeakPolarHBondContact O-CG 3.35Å; H139-L143 PolarHBondContact O-N 2.88Å
140E97.5Very high97.7Very high52 Ų5265.4 Ų65.424%0.24335%0.348CS..Hα-helixtrans-60.6-45.5170.8-172.6-172159.100111.3H59 E136 K137 A142 L143 T144H59-E140 IonicContact CE1-OE1 3.29Å; H59-E140 PolarHBondContact CE1-OE1 3.48Å; H59-E140 VanDerWaalsContact CE1-OE1 3.29Å; H59-E140 IonicContact CG-OE1 3.78Å; H59-E140 IonicContact ND1-OE1 2.61Å; H59-E140 PolarHBondContact ND1-OE1 2.88Å; E136-E140 WeakPolarHBondContact O-CB 3.4Å; E136-E140 PolarHBondContact O-N 3.29Å; K137-E140 WeakPolarHBondContact CD-OE2 3.41Å; K137-E140 IonicContact NZ-OE2 2.76Å; K137-E140 PolarHBondContact NZ-OE2 2.92Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.31Å; E140-L143 PolarHBondContact O-N 2.84Å; E140-T144 WeakPolarHBondContact O-CB 3.35Å; E140-T144 WeakPolarHBondContact O-CG2 3.46Å; E140-T144 PolarHBondContact O-N 3.43Å; E140-T144 PolarHBondContact O-OG1 2.85Å
141Y97.9Very high97.7Very high34 Ų3468.1 Ų68.113%0.13336%0.362CS..Hα-helixtrans-59.8-46.7173.6-172-72000110.6I55 L56 K137 I138 L143 T144 R145 D146 T154 T155I55-Y141 HydrophobicContact CG2-CE2 4.45Å; L56-Y141 HydrophobicContact CD2-CD2 3.99Å; L56-Y141 HydrophobicContact CD2-CG 4.12Å; K137-Y141 WeakPolarHBondContact O-CB 3.29Å; K137-Y141 PolarHBondContact O-N 3.41Å; I138-Y141 PolarHBondContact O-N 3.35Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 3.36Å; Y141-T144 PolarHBondContact O-N 2.88Å; Y141-T144 PolarHBondContact O-OG1 2.8Å; Y141-R145 HydrophobicContact CD1-CB 3.9Å; Y141-R145 HydrophobicContact CD1-CG 4.41Å; Y141-R145 HydrophobicContact CD2-CG 4.47Å; Y141-R145 HydrophobicContact CE1-CB 3.6Å; Y141-R145 HydrophobicContact CE1-CG 4.18Å; Y141-R145 HydrophobicContact CE2-CG 4.27Å; Y141-R145 HydrophobicContact CG-CB 4.48Å; Y141-R145 WeakPolarHBondContact O-CB 3.45Å; Y141-R145 PolarHBondContact O-N 2.92Å; Y141-D146 WeakPolarHBondContact CE1-OD2 3.39Å; Y141-T154 HydrophobicContact CE1-CG2 4.4Å; Y141-T155 HydrophobicContact CD1-CG2 3.45Å; Y141-T155 VanDerWaalsContact CD1-CG2 3.45Å; Y141-T155 HydrophobicContact CE1-CG2 4.17Å; Y141-T155 HydrophobicContact CG-CG2 3.86Å
142A98Very high97.7Very high1 Ų167.1 Ų67.11%0.00836%0.358CS..Hα-helixtrans-57.8-46.4179.900000111.8I138 H139 E140 D146 N147 G148 L150I138-A142 PolarHBondContact O-N 3.27Å; H139-A142 PolarHBondContact O-N 3.45Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.31Å; A142-D146 CarbonylContact O-C 3.18Å; A142-D146 WeakPolarHBondContact O-CA 3.24Å; A142-D146 PolarHBondContact O-N 3.46Å; A142-N147 PolarHBondContact O-N 3.39Å; A142-G148 WeakPolarHBondContact O-CA 3.11Å; A142-G148 PolarHBondContact O-N 3.2Å; A142-L150 HydrophobicContact CB-CD2 4.04Å
143L97Very high97.6Very high129 Ų12972.8 Ų72.868%0.67537%0.369SS*.Hα-helixtrans-64.3-42.7178-72.1168.6000112.8H139 E140 Y141H139-L143 WeakPolarHBondContact O-CG 3.35Å; H139-L143 PolarHBondContact O-N 2.88Å; E140-L143 PolarHBondContact O-N 2.84Å; Y141-L143 VanDerWaalsContact C-N 3.34Å; Y141-L143 PolarHBondContact O-N 3.36Å
144T96.3Very high97.4Very high90 Ų9069.1 Ų69.155%0.55235%0.347SS*.Hα-helixtrans-87.4-22.4-171.956.60000114.3E140 Y141E140-T144 WeakPolarHBondContact O-CB 3.35Å; E140-T144 WeakPolarHBondContact O-CG2 3.46Å; E140-T144 PolarHBondContact O-N 3.43Å; E140-T144 PolarHBondContact O-OG1 2.85Å; Y141-T144 PolarHBondContact O-N 2.88Å; Y141-T144 PolarHBondContact O-OG1 2.8Å
145R95.2Very high97.4Very high100 Ų10067.2 Ų67.238%0.37734%0.339SS..Hα-helixtrans-125.5-28-172.9-66.2-110.7168.667.49.3114.8H59 G60 Y141H59-R145 PolarHBondContact O-NH1 2.78Å; H59-R145 PolarHBondContact O-NH2 3.33Å; G60-R145 PolarHBondContact O-NH1 3.43Å; Y141-R145 HydrophobicContact CD1-CB 3.9Å; Y141-R145 HydrophobicContact CD1-CG 4.41Å; Y141-R145 HydrophobicContact CD2-CG 4.47Å; Y141-R145 HydrophobicContact CE1-CB 3.6Å; Y141-R145 HydrophobicContact CE1-CG 4.18Å; Y141-R145 HydrophobicContact CE2-CG 4.27Å; Y141-R145 HydrophobicContact CG-CB 4.48Å; Y141-R145 WeakPolarHBondContact O-CB 3.45Å; Y141-R145 PolarHBondContact O-N 2.92Å
146D96.2Very high97.4Very high19 Ų1961.7 Ų61.710%0.10232%0.318CS..SBendtrans-12026.6-171.8-63-26.4000112.5Y141 A142 G148 S149 I151 T154Y141-D146 WeakPolarHBondContact CE1-OD2 3.39Å; A142-D146 CarbonylContact O-C 3.18Å; A142-D146 WeakPolarHBondContact O-CA 3.24Å; A142-D146 PolarHBondContact O-N 3.46Å; D146-G148 PolarHBondContact O-N 3.05Å; D146-S149 VanDerWaalsContact CB-O 3.27Å; D146-S149 WeakPolarHBondContact CB-O 3.16Å; D146-S149 WeakPolarHBondContact O-CB 3.38Å; D146-S149 PolarHBondContact O-N 2.87Å; D146-I151 HydrophobicContact CB-CD1 3.79Å; D146-I151 HydrophobicContact CB-CG1 4.26Å; D146-T154 WeakPolarHBondContact OD2-CB 3.32Å; D146-T154 PolarHBondContact OD2-OG1 3.05Å
147N95.7Very high97.4Very high158 Ų15855.1 Ų55.185%0.84529%0.291SS*.THydrogen-bonded Turntrans52.738.3178.1-58.3-37.2000113.6A142 S149A142-N147 PolarHBondContact O-N 3.39Å; N147-S149 VanDerWaalsContact C-N 3.31Å; N147-S149 PolarHBondContact O-N 3.23Å
148G96Very high97.4Very high44 Ų4450.6 Ų50.645%0.45427%0.272SS..THydrogen-bonded Turntrans77.48.6-179.800000115.2A142 D146A142-G148 WeakPolarHBondContact O-CA 3.11Å; A142-G148 PolarHBondContact O-N 3.2Å; D146-G148 PolarHBondContact O-N 3.05Å
149S97.6Very high97.4Very high64 Ų6450.6 Ų50.645%0.44827%0.272SS..  trans-106.4138.8-177.6-63.90000112.5D146 N147 I151D146-S149 VanDerWaalsContact CB-O 3.27Å; D146-S149 WeakPolarHBondContact CB-O 3.16Å; D146-S149 WeakPolarHBondContact O-CB 3.38Å; D146-S149 PolarHBondContact O-N 2.87Å; N147-S149 VanDerWaalsContact C-N 3.31Å; N147-S149 PolarHBondContact O-N 3.23Å; S149-I151 PolarHBondContact O-N 3.47Å
150L98.6Very high97.5Very high28 Ų2848.2 Ų48.215%0.14726%0.261CS..  trans-78.7109.9169.3-67.9177.2000109.9I138 A142 C239 W241I138-L150 HydrophobicContact CG2-CD2 3.63Å; A142-L150 HydrophobicContact CB-CD2 4.04Å; L150-C239 WeakPolarHBondContact CD1-O 3.36Å; L150-W241 VanDerWaalsContact C-CD1 3.44Å; L150-W241 HydrophobicContact CB-CD2 3.82Å; L150-W241 HydrophobicContact CB-CE3 4.38Å; L150-W241 HydrophobicContact CB-CG 3.97Å; L150-W241 HydrophobicContact CB-CZ2 4.3Å; L150-W241 HydrophobicContact CD1-CD2 4.22Å; L150-W241 HydrophobicContact CD1-CE3 3.93Å; L150-W241 HydrophobicContact CD1-CH2 4.24Å; L150-W241 HydrophobicContact CD1-CZ3 3.94Å; L150-W241 HydrophobicContact CD2-CH2 4.12Å; L150-W241 HydrophobicContact CD2-CZ2 3.92Å; L150-W241 HydrophobicContact CG-CZ2 4.47Å; L150-W241 VanDerWaalsContact O-CD1 3.31Å
151I98.6Very high97.5Very high70 Ų7046 Ų4636%0.35925%0.251SS..  trans-110135.2-175.6-61.4177.3000110.5D146 S149 K153 T154 T155 G156 W241D146-I151 HydrophobicContact CB-CD1 3.79Å; D146-I151 HydrophobicContact CB-CG1 4.26Å; S149-I151 PolarHBondContact O-N 3.47Å; I151-K153 VanDerWaalsContact C-N 3.32Å; I151-K153 HydrophobicContact CG2-CB 4.17Å; I151-K153 PolarHBondContact O-N 2.87Å; I151-T154 WeakPolarHBondContact CB-OG1 3.44Å; I151-T154 PolarHBondContact O-N 3.49Å; I151-T154 PolarHBondContact O-OG1 2.96Å; I151-T155 PolarHBondContact O-N 2.91Å; I151-T155 PolarHBondContact O-OG1 3.4Å; I151-G156 PolarHBondContact O-N 3.17Å; I151-W241 VanDerWaalsContact C-NE1 3.34Å; I151-W241 PolarHBondContact O-NE1 2.88Å; I151-W241 VanDerWaalsContact O-NE1 3.1Å
152V98.5Very high97.5Very high3 Ų345.8 Ų45.82%0.01825%0.252CS..THydrogen-bonded Turntrans-66.9-34.5-175.8177.80000112.2T154 G156 G157 V160 N162 I236 W241 S244V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 3.38Å; V152-G156 CarbonylContact O-C 3.28Å; V152-G156 VanDerWaalsContact O-C 3.28Å; V152-G156 WeakPolarHBondContact O-CA 3.44Å; V152-G157 PolarHBondContact O-N 3.29Å; V152-V160 HydrophobicContact CG1-CG2 3.73Å; V152-N162 PolarHBondContact O-ND2 2.78Å; V152-I236 HydrophobicContact CG1-CD1 4.35Å; V152-I236 HydrophobicContact CG2-CD1 4.12Å; V152-W241 HydrophobicContact CG2-CB 4.15Å; V152-W241 HydrophobicContact CG2-CG 4.22Å; V152-S244 VanDerWaalsContact CG2-OG 3.24Å; V152-S244 WeakPolarHBondContact CG2-OG 3.47Å
153K96.8Very high97.5Very high168 Ų16847.6 Ų47.673%0.7326%0.264SS*.THydrogen-bonded Turntrans-68.5-24.5179.6-170178.3177.5-1760113.4I151I151-K153 VanDerWaalsContact C-N 3.32Å; I151-K153 HydrophobicContact CG2-CB 4.17Å; I151-K153 PolarHBondContact O-N 2.87Å
154T96.5Very high97.5Very high34 Ų3444.3 Ų44.321%0.20926%0.261CS..THydrogen-bonded Turntrans-105.8-93.4-178.752.90000110.1Y141 D146 I151 V152 G156 G157Y141-T154 HydrophobicContact CE1-CG2 4.4Å; D146-T154 WeakPolarHBondContact OD2-CB 3.32Å; D146-T154 PolarHBondContact OD2-OG1 3.05Å; I151-T154 WeakPolarHBondContact CB-OG1 3.44Å; I151-T154 PolarHBondContact O-N 3.49Å; I151-T154 PolarHBondContact O-OG1 2.96Å; V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 3.38Å; T154-G156 VanDerWaalsContact C-N 3.3Å; T154-G156 PolarHBondContact O-N 2.91Å; T154-G157 WeakPolarHBondContact O-CA 3.45Å; T154-G157 PolarHBondContact O-N 3.37Å
155T98.2Very high97.6Very high0 Ų041.7 Ų41.70%025%0.248CC..G310 helixtrans-66.9-29.2-176.7520000112.8I138 Y141 I151 G157 I158 W241I138-T155 HydrophobicContact CG2-CG2 4.26Å; Y141-T155 HydrophobicContact CD1-CG2 3.45Å; Y141-T155 VanDerWaalsContact CD1-CG2 3.45Å; Y141-T155 HydrophobicContact CE1-CG2 4.17Å; Y141-T155 HydrophobicContact CG-CG2 3.86Å; I151-T155 PolarHBondContact O-N 2.91Å; I151-T155 PolarHBondContact O-OG1 3.4Å; T155-G157 PolarHBondContact O-N 2.68Å; T155-I158 WeakPolarHBondContact O-CB 3.21Å; T155-I158 WeakPolarHBondContact O-CD1 3.46Å; T155-I158 WeakPolarHBondContact O-CG1 3.27Å; T155-I158 PolarHBondContact O-N 3.15Å; T155-W241 WeakPolarHBondContact OG1-CZ2 3.36Å; T155-W241 PolarHBondContact OG1-NE1 3.28Å
156G98.3Very high97.8Very high0 Ų040 Ų400%025%0.252CS..G310 helixtrans-66.9-23.1172.100000113.1I151 V152 T154 I158 F159 V160I151-G156 PolarHBondContact O-N 3.17Å; V152-G156 CarbonylContact O-C 3.28Å; V152-G156 VanDerWaalsContact O-C 3.28Å; V152-G156 WeakPolarHBondContact O-CA 3.44Å; T154-G156 VanDerWaalsContact C-N 3.3Å; T154-G156 PolarHBondContact O-N 2.91Å; G156-I158 PolarHBondContact O-N 2.89Å; G156-I158 VanDerWaalsContact O-N 3.14Å; G156-F159 PolarHBondContact O-N 3.21Å; G156-V160 WeakPolarHBondContact O-CG2 3.26Å; G156-V160 PolarHBondContact O-N 3.49Å
157G97.8Very high97.9Very high16 Ų1641.3 Ų41.317%0.16526%0.257CS..G310 helixtrans-64.7-12.6175.700000114.2V152 T154 T155V152-G157 PolarHBondContact O-N 3.29Å; T154-G157 WeakPolarHBondContact O-CA 3.45Å; T154-G157 PolarHBondContact O-N 3.37Å; T155-G157 PolarHBondContact O-N 2.68Å
158I98.6Very high98Very high0 Ų039.4 Ų39.40%025%0.247CC..G310 helixtrans-65.3-33.7168.7-64168.6000110.7L51 A52 I55 L56 I138 T155 G156L51-I158 HydrophobicContact CB-CG2 4.38Å; L51-I158 WeakPolarHBondContact CD1-O 3.37Å; A52-I158 HydrophobicContact CB-CD1 4.46Å; A52-I158 HydrophobicContact CB-CG2 3.89Å; I55-I158 HydrophobicContact CB-CG1 4.25Å; I55-I158 HydrophobicContact CD1-CG1 3.78Å; I55-I158 HydrophobicContact CG2-CG1 4.36Å; L56-I158 HydrophobicContact CD1-CD1 3.81Å; L56-I158 HydrophobicContact CD2-CD1 4.05Å; L56-I158 HydrophobicContact CG-CD1 3.9Å; I138-I158 HydrophobicContact CD1-CD1 4.38Å; I138-I158 HydrophobicContact CG1-CD1 4.09Å; T155-I158 WeakPolarHBondContact O-CB 3.21Å; T155-I158 WeakPolarHBondContact O-CD1 3.46Å; T155-I158 WeakPolarHBondContact O-CG1 3.27Å; T155-I158 PolarHBondContact O-N 3.15Å; G156-I158 PolarHBondContact O-N 2.89Å; G156-I158 VanDerWaalsContact O-N 3.14Å
159F98.8Very high98.2Very high0 Ų040.2 Ų40.20%024%0.243CC..THydrogen-bonded Turntrans-111.3-40-167.2-56.9-68000112.8S127 I130 Y131 I138 G156 R228 P232 M235 I236 W241S127-F159 WeakPolarHBondContact O-CE1 3.44Å; I130-F159 HydrophobicContact CB-CE1 4.18Å; I130-F159 HydrophobicContact CG2-CE1 3.94Å; I130-F159 HydrophobicContact CG2-CZ 4.48Å; Y131-F159 HydrophobicContact CD2-CE2 4.41Å; Y131-F159 HydrophobicContact CD2-CZ 4.3Å; I138-F159 HydrophobicContact CD1-CE2 3.94Å; I138-F159 HydrophobicContact CD1-CZ 3.83Å; G156-F159 PolarHBondContact O-N 3.21Å; F159-R228 PolarHBondContact O-NH1 3.03Å; F159-P232 HydrophobicContact CB-CB 3.8Å; F159-P232 WeakPolarHBondContact O-CB 3.29Å; F159-P232 WeakPolarHBondContact O-CG 3.45Å; F159-M235 HydrophobicContact CB-CE 4.11Å; F159-M235 HydrophobicContact CD1-CE 3.48Å; F159-M235 VanDerWaalsContact CD1-CE 3.48Å; F159-M235 HydrophobicContact CD2-CE 3.76Å; F159-M235 HydrophobicContact CE1-CE 3.72Å; F159-M235 HydrophobicContact CE2-CE 4Å; F159-M235 HydrophobicContact CG-CE 3.49Å; F159-M235 VanDerWaalsContact CG-CE 3.49Å; F159-M235 HydrophobicContact CZ-CE 3.98Å; F159-I236 HydrophobicContact CB-CG2 4.09Å; F159-I236 HydrophobicContact CD2-CG2 3.8Å; F159-I236 HydrophobicContact CG-CG2 4.18Å; F159-W241 HydrophobicContact CD2-CH2 4.46Å; F159-W241 HydrophobicContact CE2-CH2 4.01Å; F159-W241 HydrophobicContact CE2-CZ2 4.47Å
160V98.7Very high98.2Very high2 Ų237.1 Ų37.11%0.01222%0.221CC..SBendtrans-122.6158.6-174.5-56.20000111.2V152 G156 P232 R233 I236V152-V160 HydrophobicContact CG1-CG2 3.73Å; G156-V160 WeakPolarHBondContact O-CG2 3.26Å; G156-V160 PolarHBondContact O-N 3.49Å; V160-P232 HydrophobicContact CG1-CB 3.95Å; V160-R233 HydrophobicContact CB-CG 4.19Å; V160-R233 HydrophobicContact CG1-CB 4.27Å; V160-R233 HydrophobicContact CG1-CG 3.5Å; V160-I236 HydrophobicContact CG1-CD1 3.87Å; V160-I236 HydrophobicContact CG2-CD1 3.83Å
161T98.4Very high98.2Very high5 Ų538 Ų383%0.03122%0.224CC..  trans-85.8152.3174.166.60000112.1A220 A223 D229 R233T161-A220 WeakPolarHBondContact CB-O 3.29Å; T161-A220 PolarHBondContact OG1-O 3.29Å; T161-A223 HydrophobicContact CG2-CB 3.72Å; T161-D229 PolarHBondContact N-OD2 3.45Å; T161-D229 PolarHBondContact OG1-OD2 3.32Å; T161-R233 PolarHBondContact O-NH2 3.09Å
162N98.4Very high98.2Very high31 Ų3139.6 Ų39.617%0.16623%0.233CC..  trans-127.2152.2-179.6-73.8-73.2000110V152 G164V152-N162 PolarHBondContact O-ND2 2.78Å; N162-G164 PolarHBondContact O-N 2.96Å
163P98.1Very high98.3Very high39 Ų3940.1 Ų40.125%0.25324%0.235SC..  trans-73.6123.6177.927.9-29.7000111.2F252P163-F252 HydrophobicContact CB-CD2 3.6Å; P163-F252 HydrophobicContact CB-CE2 3.75Å; P163-F252 HydrophobicContact CB-CG 4.1Å; P163-F252 HydrophobicContact CB-CZ 4.38Å; P163-F252 HydrophobicContact CG-CB 4.06Å; P163-F252 HydrophobicContact CG-CD1 4.5Å; P163-F252 HydrophobicContact CG-CD2 3.89Å; P163-F252 HydrophobicContact CG-CE2 4.45Å; P163-F252 HydrophobicContact CG-CG 3.9Å
164G97.3Very high98.3Very high60 Ų6032.1 Ų32.162%0.61920%0.201SC*.SBendtrans-95.9-7.8165.100000113.4N162 N219N162-G164 PolarHBondContact O-N 2.96Å; G164-N219 WeakPolarHBondContact CA-O 3.36Å; G164-N219 PolarHBondContact N-O 3.44Å
165A98Very high98.5Very high34 Ų3431.6 Ų31.628%0.28120%0.197SC..SBendtrans-142.1-173.2178.700000111.3T169 C170 N219A165-T169 HydrophobicContact CB-CG2 3.81Å; A165-C170 PolarHBondContact O-SG 3.23Å; A165-N219 HydrophobicContact CB-CB 4.27Å; A165-N219 PolarHBondContact N-O 3.45Å
166S98.4Very high98.5Very high66 Ų6636 Ų3646%0.46222%0.221SC..  trans-58.2152.7172.582.80000111.2L168 T169 C170S166-L168 PolarHBondContact O-N 3.41Å; S166-T169 PolarHBondContact O-N 2.72Å; S166-T169 VanDerWaalsContact O-N 3.13Å; S166-T169 WeakPolarHBondContact OG-CB 3.3Å; S166-T169 PolarHBondContact OG-N 3.12Å; S166-T169 VanDerWaalsContact OG-N 3.11Å; S166-T169 PolarHBondContact OG-OG1 3.48Å; S166-C170 PolarHBondContact O-N 3.28Å; S166-C170 PolarHBondContact O-SG 2.73Å
167H98.7Very high98.5Very high45 Ų4536 Ų3621%0.20822%0.221CC..Hα-helixtrans-56.4-39.2177.1-79-159000112.7C170 F171 G249 N250 W254H167-C170 PolarHBondContact O-N 3.03Å; H167-F171 VanDerWaalsContact O-CB 3.24Å; H167-F171 WeakPolarHBondContact O-CB 3.12Å; H167-F171 PolarHBondContact O-N 3.31Å; H167-G249 PolarHBondContact CE1-O 3.45Å; H167-G249 PolarHBondContact NE2-O 3.06Å; H167-N250 PolarHBondContact CE1-O 3.42Å; H167-W254 HydrophobicContact CB-CZ2 4.25Å; H167-W254 AromaticContact ND1-CZ2 3.92Å; H167-W254 AromaticContact ND1-NE1 3.8Å
168L98.7Very high98.6Very high118 Ų11835.3 Ų35.362%0.61821%0.213SC*.Hα-helixtrans-63.1-46.7176.9179.360.8000111.3S166 C170 F171 L172S166-L168 PolarHBondContact O-N 3.41Å; L168-C170 PolarHBondContact O-N 3.32Å; L168-F171 PolarHBondContact O-N 2.81Å; L168-L172 HydrophobicContact CD1-CD1 4.44Å; L168-L172 HydrophobicContact CD1-CG 4.41Å; L168-L172 HydrophobicContact CG-CD1 4.39Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.92Å
169T98.7Very high98.6Very high61 Ų6135.9 Ų35.937%0.37422%0.218SC..Hα-helixtrans-60.9-46.3176.4-54.10000111.1A165 S166 F171 L172 D173A165-T169 HydrophobicContact CB-CG2 3.81Å; S166-T169 PolarHBondContact O-N 2.72Å; S166-T169 VanDerWaalsContact O-N 3.13Å; S166-T169 WeakPolarHBondContact OG-CB 3.3Å; S166-T169 PolarHBondContact OG-N 3.12Å; S166-T169 VanDerWaalsContact OG-N 3.11Å; S166-T169 PolarHBondContact OG-OG1 3.48Å; T169-F171 VanDerWaalsContact C-N 3.3Å; T169-F171 PolarHBondContact O-N 3.03Å; T169-L172 PolarHBondContact O-N 3.37Å; T169-D173 VanDerWaalsContact O-CB 3.26Å; T169-D173 WeakPolarHBondContact O-CB 3.26Å; T169-D173 PolarHBondContact O-N 3.16Å
170C98.8Very high98.6Very high0 Ų039.7 Ų39.70%024%0.238CC..Hα-helixtrans-62.1-39177.6-63.30000112A165 S166 H167 L168 D173 Q174 N219 A220 F252 V255A165-C170 PolarHBondContact O-SG 3.23Å; S166-C170 PolarHBondContact O-N 3.28Å; S166-C170 PolarHBondContact O-SG 2.73Å; H167-C170 PolarHBondContact O-N 3.03Å; L168-C170 PolarHBondContact O-N 3.32Å; C170-D173 WeakPolarHBondContact O-CB 3.3Å; C170-D173 PolarHBondContact O-N 3.26Å; C170-Q174 VanDerWaalsContact O-CG 3.3Å; C170-Q174 WeakPolarHBondContact O-CG 3.48Å; C170-Q174 PolarHBondContact O-N 3.39Å; C170-N219 PolarHBondContact SG-O 2.91Å; C170-A220 HydrophobicContact CB-CB 3.78Å; C170-F252 HydrophobicContact CB-CE2 3.66Å; C170-F252 HydrophobicContact CB-CZ 4.28Å; C170-V255 HydrophobicContact CB-CG1 3.93Å
171F98.8Very high98.6Very high46 Ų4640.3 Ų40.320%0.20224%0.241CC..Hα-helixtrans-65.5-47.1177.4177.9-97.3000111.8H167 L168 T169 D173 Q174 V175 W254 V255 L258 I262H167-F171 VanDerWaalsContact O-CB 3.24Å; H167-F171 WeakPolarHBondContact O-CB 3.12Å; H167-F171 PolarHBondContact O-N 3.31Å; L168-F171 PolarHBondContact O-N 2.81Å; T169-F171 VanDerWaalsContact C-N 3.3Å; T169-F171 PolarHBondContact O-N 3.03Å; F171-D173 VanDerWaalsContact C-N 3.32Å; F171-D173 PolarHBondContact O-N 2.95Å; F171-Q174 PolarHBondContact O-N 2.88Å; F171-V175 HydrophobicContact CD1-CG2 4.24Å; F171-V175 HydrophobicContact CE1-CG2 3.88Å; F171-V175 HydrophobicContact CE2-CG2 4.28Å; F171-V175 HydrophobicContact CZ-CG2 3.91Å; F171-V175 VanDerWaalsContact O-CG2 3.3Å; F171-V175 WeakPolarHBondContact O-CG2 3.49Å; F171-V175 PolarHBondContact O-N 3.31Å; F171-W254 HydrophobicContact CB-CH2 4.46Å; F171-W254 HydrophobicContact CD2-CH2 4.22Å; F171-W254 AromaticContact CD2-CZ3 3.6Å; F171-W254 HydrophobicContact CD2-CZ3 3.6Å; F171-W254 HydrophobicContact CE2-CZ3 4.06Å; F171-W254 HydrophobicContact CG-CZ3 4.3Å; F171-V255 HydrophobicContact CB-CG1 4.24Å; F171-L258 HydrophobicContact CE2-CB 4.42Å; F171-I262 HydrophobicContact CE2-CD1 4.06Å; F171-I262 HydrophobicContact CZ-CD1 3.62Å
172L98.8Very high98.6Very high104 Ų10440.1 Ų40.155%0.54524%0.24SC..Hα-helixtrans-62.1-40.6176-67.6175.6000112.1L168 T169 V175 L176L168-L172 HydrophobicContact CD1-CD1 4.44Å; L168-L172 HydrophobicContact CD1-CG 4.41Å; L168-L172 HydrophobicContact CG-CD1 4.39Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.92Å; T169-L172 PolarHBondContact O-N 3.37Å; L172-V175 PolarHBondContact O-N 3.47Å; L172-L176 WeakPolarHBondContact O-CB 3.32Å; L172-L176 PolarHBondContact O-N 3.32Å
173D98.7Very high98.6Very high13 Ų1339.7 Ų39.77%0.0724%0.241CC..Hα-helixtrans-56.9-50.7173.2175-75.6000111.5T169 C170 F171 V175 L176 G177 N219T169-D173 VanDerWaalsContact O-CB 3.26Å; T169-D173 WeakPolarHBondContact O-CB 3.26Å; T169-D173 PolarHBondContact O-N 3.16Å; C170-D173 WeakPolarHBondContact O-CB 3.3Å; C170-D173 PolarHBondContact O-N 3.26Å; F171-D173 VanDerWaalsContact C-N 3.32Å; F171-D173 PolarHBondContact O-N 2.95Å; D173-V175 PolarHBondContact O-N 3.03Å; D173-L176 PolarHBondContact O-N 2.96Å; D173-G177 PolarHBondContact O-N 2.96Å; D173-N219 HydrophobicContact CB-CB 4.21Å; D173-N219 WeakPolarHBondContact OD2-CB 3.3Å; D173-N219 PolarHBondContact OD2-ND2 3.36Å
174Q98.7Very high98.7Very high0 Ų038.6 Ų38.60%024%0.236CC..Hα-helixtrans-67.1-35.6178.8-69.1-55.2-71.600113.1C170 F171 T178 A220 A223 V255C170-Q174 VanDerWaalsContact O-CG 3.3Å; C170-Q174 WeakPolarHBondContact O-CG 3.48Å; C170-Q174 PolarHBondContact O-N 3.39Å; F171-Q174 PolarHBondContact O-N 2.88Å; Q174-T178 VanDerWaalsContact O-CB 3.25Å; Q174-T178 WeakPolarHBondContact O-CB 3.46Å; Q174-T178 PolarHBondContact O-N 3.47Å; Q174-T178 PolarHBondContact O-OG1 3.46Å; Q174-A220 HydrophobicContact CG-CB 3.91Å; Q174-A223 VanDerWaalsContact OE1-N 3.11Å; Q174-V255 HydrophobicContact CG-CG1 4.24Å
175V98.9Very high98.7Very high23 Ų2336.2 Ų36.214%0.13921%0.211CC..Hα-helixtrans-63.3-51.8174.2168.30000110.4F171 L172 D173 T178 A179 I262 G263 I266F171-V175 HydrophobicContact CD1-CG2 4.24Å; F171-V175 HydrophobicContact CE1-CG2 3.88Å; F171-V175 HydrophobicContact CE2-CG2 4.28Å; F171-V175 HydrophobicContact CZ-CG2 3.91Å; F171-V175 VanDerWaalsContact O-CG2 3.3Å; F171-V175 WeakPolarHBondContact O-CG2 3.49Å; F171-V175 PolarHBondContact O-N 3.31Å; L172-V175 PolarHBondContact O-N 3.47Å; D173-V175 PolarHBondContact O-N 3.03Å; V175-T178 PolarHBondContact O-N 3.5Å; V175-A179 VanDerWaalsContact O-CB 3.31Å; V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 2.89Å; V175-I262 HydrophobicContact CG1-CG2 4.36Å; V175-I262 HydrophobicContact CG2-CB 4.25Å; V175-I262 HydrophobicContact CG2-CG2 4.13Å; V175-G263 WeakPolarHBondContact O-CA 3.37Å; V175-I266 HydrophobicContact CG1-CD1 4.13Å
176L98.8Very high98.7Very high94 Ų9434.6 Ų34.649%0.49220%0.197SC..Hα-helixtrans-66.4-47.8-178.2178.656.5000111.9L172 D173 T178 A179 L180 F216L172-L176 WeakPolarHBondContact O-CB 3.32Å; L172-L176 PolarHBondContact O-N 3.32Å; D173-L176 PolarHBondContact O-N 2.96Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.92Å; L176-A179 PolarHBondContact O-N 3.38Å; L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.12Å; L176-F216 HydrophobicContact CB-CE1 4.41Å; L176-F216 HydrophobicContact CD2-CE1 3.96Å; L176-F216 HydrophobicContact CD2-CZ 4.26Å; L176-F216 HydrophobicContact CG-CE1 4Å; L176-F216 HydrophobicContact CG-CZ 4.15Å
177G98.8Very high98.7Very high0 Ų033 Ų330%019%0.188CC..Hα-helixtrans-59.1-41.2178.800000112.1D173 L180 L181 L224D173-G177 PolarHBondContact O-N 2.96Å; G177-L180 PolarHBondContact O-N 3.28Å; G177-L181 PolarHBondContact O-N 3.43Å; G177-L224 VanDerWaalsContact C-CD2 3.41Å
178T98.9Very high98.6Very high0 Ų032 Ų320%018%0.184CC..Hα-helixtrans-78.8-27.8180-43.10000112.6A96 Q174 V175 L176 L180 L181 A182 L224 P260 A264A96-T178 HydrophobicContact CB-CG2 4.5Å; Q174-T178 VanDerWaalsContact O-CB 3.25Å; Q174-T178 WeakPolarHBondContact O-CB 3.46Å; Q174-T178 PolarHBondContact O-N 3.47Å; Q174-T178 PolarHBondContact O-OG1 3.46Å; V175-T178 PolarHBondContact O-N 3.5Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.92Å; T178-L180 VanDerWaalsContact C-N 3.35Å; T178-L181 HydrophobicContact CG2-CD2 4.42Å; T178-L181 WeakPolarHBondContact O-CB 3.48Å; T178-L181 PolarHBondContact O-N 3.28Å; T178-A182 PolarHBondContact O-N 3.42Å; T178-L224 WeakPolarHBondContact CG2-O 3.24Å; T178-L224 WeakPolarHBondContact OG1-CA 3.41Å; T178-P260 HydrophobicContact CG2-CB 3.92Å; T178-P260 WeakPolarHBondContact CG2-O 3.27Å; T178-P260 WeakPolarHBondContact OG1-CA 3.27Å; T178-A264 HydrophobicContact CG2-CB 3.89Å
179A98.9Very high98.4Very high12 Ų1228.3 Ų28.310%0.09917%0.166CC..Hα-helixtrans-61.3-46.2169.200000111.1V175 L176 L181 A182 A183 G263 I266 G267V175-A179 VanDerWaalsContact O-CB 3.31Å; V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 2.89Å; L176-A179 PolarHBondContact O-N 3.38Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 2.93Å; A179-A182 PolarHBondContact O-N 3.37Å; A179-A183 VanDerWaalsContact O-CB 3.27Å; A179-A183 WeakPolarHBondContact O-CB 3.16Å; A179-A183 PolarHBondContact O-N 2.97Å; A179-G263 WeakPolarHBondContact CA-O 3.37Å; A179-G263 VanDerWaalsContact CB-O 3.27Å; A179-G263 WeakPolarHBondContact CB-O 3.4Å; A179-G263 PolarHBondContact N-O 3.33Å; A179-I266 HydrophobicContact CB-CG2 4.49Å; A179-G267 VanDerWaalsContact O-CA 3.32Å; A179-G267 WeakPolarHBondContact O-CA 3.31Å
180L98.9Very high98.2Very high80 Ų8025.9 Ų25.942%0.41915%0.151SC..Hα-helixtrans-63.8-36.6174.2-67.5172.8000112.1L176 G177 T178 G184 L212 F216L176-L180 HydrophobicContact CD1-CD1 4.36Å; L176-L180 HydrophobicContact CD1-CG 4.38Å; L176-L180 HydrophobicContact CG-CD1 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.14Å; L176-L180 PolarHBondContact O-N 3.12Å; G177-L180 PolarHBondContact O-N 3.28Å; T178-L180 VanDerWaalsContact C-N 3.35Å; L180-G184 WeakPolarHBondContact O-CA 3.39Å; L180-G184 PolarHBondContact O-N 2.79Å; L180-L212 HydrophobicContact CB-CD2 3.77Å; L180-L212 HydrophobicContact CD1-CD2 4.24Å; L180-F216 HydrophobicContact CD1-CE2 3.82Å; L180-F216 HydrophobicContact CD1-CZ 3.72Å
181L98.9Very high97.9Very high16 Ų1633.9 Ų33.98%0.08418%0.181CC..Hα-helixtrans-59.8-52.2173.3179.860.4000111.8V97 G177 T178 A179 A185 L208 V209 L212 L224V97-L181 HydrophobicContact CG2-CD2 4.27Å; V97-L181 HydrophobicContact CG2-CG 4.43Å; G177-L181 PolarHBondContact O-N 3.43Å; T178-L181 HydrophobicContact CG2-CD2 4.42Å; T178-L181 WeakPolarHBondContact O-CB 3.48Å; T178-L181 PolarHBondContact O-N 3.28Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 2.93Å; L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 3.3Å; L181-L208 HydrophobicContact CD1-CD2 3.96Å; L181-L208 HydrophobicContact CD1-CG 4.29Å; L181-V209 HydrophobicContact CD1-CG2 3.79Å; L181-L212 HydrophobicContact CB-CD1 3.7Å; L181-L212 HydrophobicContact CD1-CD1 3.92Å; L181-L212 HydrophobicContact CG-CD1 4.38Å; L181-L224 HydrophobicContact CD2-CB 3.96Å
182A98.9Very high97.6Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-68.5-43.3-177.200000112.2T178 A179 A185 L186 A264T178-A182 PolarHBondContact O-N 3.42Å; A179-A182 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 3.47Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.03Å; A182-A264 HydrophobicContact CB-CB 4.01Å; A182-A264 VanDerWaalsContact CB-O 3.27Å; A182-A264 WeakPolarHBondContact CB-O 3.32Å
183A98.8Very high97.3Very high23 Ų2329.4 Ų29.419%0.1917%0.167CC..Hα-helixtrans-63.5-44.2175.800000111.8A179 L186 A187A179-A183 VanDerWaalsContact O-CB 3.27Å; A179-A183 WeakPolarHBondContact O-CB 3.16Å; A179-A183 PolarHBondContact O-N 2.97Å; A183-L186 PolarHBondContact O-N 3Å; A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 3Å
184G98.7Very high97Very high16 Ų1638.8 Ų38.817%0.16520%0.201CC..Hα-helixtrans-64-42.3176.400000112.3L180 L186 A187 I188L180-G184 WeakPolarHBondContact O-CA 3.39Å; L180-G184 PolarHBondContact O-N 2.79Å; G184-L186 VanDerWaalsContact C-N 3.31Å; G184-L186 PolarHBondContact O-N 3.48Å; G184-A187 PolarHBondContact O-N 3.3Å; G184-I188 WeakPolarHBondContact O-CB 3.42Å; G184-I188 WeakPolarHBondContact O-CD1 3.4Å; G184-I188 VanDerWaalsContact O-CG1 3.24Å; G184-I188 WeakPolarHBondContact O-CG1 3.07Å; G184-I188 PolarHBondContact O-N 3.33Å
185A98.4Very high96.6Very high9 Ų945.5 Ų45.57%0.07423%0.23CC..Hα-helixtrans-60.4-41.4174.800000111.7F101 L181 A182 I188 T189 L205F101-A185 HydrophobicContact CZ-CB 4.22Å; L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 3.3Å; A182-A185 PolarHBondContact O-N 3.47Å; A185-I188 PolarHBondContact O-N 2.94Å; A185-T189 WeakPolarHBondContact O-CB 3.47Å; A185-T189 WeakPolarHBondContact O-CG2 3.48Å; A185-T189 PolarHBondContact O-N 2.88Å; A185-T189 PolarHBondContact O-OG1 2.87Å; A185-L205 HydrophobicContact CB-CD2 3.8Å
186L98Very high96.3Very high1 Ų146.2 Ų46.21%0.00523%0.233CC..Hα-helixtrans-65-46.5173.7-72165.8000111.8F101 I104 K106 A182 A183 G184 I188 T189 D190 A268 Y271F101-L186 HydrophobicContact CD1-CD2 4.32Å; F101-L186 HydrophobicContact CD2-CD2 4.33Å; F101-L186 HydrophobicContact CE1-CD2 3.74Å; F101-L186 HydrophobicContact CE1-CG 4.46Å; F101-L186 HydrophobicContact CE2-CD1 4.32Å; F101-L186 HydrophobicContact CE2-CD2 3.75Å; F101-L186 HydrophobicContact CE2-CG 3.69Å; F101-L186 HydrophobicContact CZ-CD2 3.42Å; F101-L186 VanDerWaalsContact CZ-CD2 3.42Å; F101-L186 HydrophobicContact CZ-CG 3.64Å; I104-L186 HydrophobicContact CD1-CD1 3.75Å; I104-L186 HydrophobicContact CD1-CD2 3.79Å; I104-L186 HydrophobicContact CD1-CG 4.44Å; K106-L186 HydrophobicContact CD-CD2 3.73Å; A182-L186 WeakPolarHBondContact O-CG 3.49Å; A182-L186 PolarHBondContact O-N 3.03Å; A183-L186 PolarHBondContact O-N 3Å; G184-L186 VanDerWaalsContact C-N 3.31Å; G184-L186 PolarHBondContact O-N 3.48Å; L186-I188 PolarHBondContact O-N 2.79Å; L186-T189 PolarHBondContact O-N 2.77Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-D190 VanDerWaalsContact O-CB 3.27Å; L186-D190 WeakPolarHBondContact O-CB 3.31Å; L186-D190 PolarHBondContact O-N 2.86Å; L186-A268 HydrophobicContact CD1-CB 3.82Å; L186-Y271 HydrophobicContact CB-CD1 3.46Å; L186-Y271 VanDerWaalsContact CB-CD1 3.46Å; L186-Y271 HydrophobicContact CB-CD2 4.07Å; L186-Y271 HydrophobicContact CB-CE1 3.67Å; L186-Y271 HydrophobicContact CB-CE2 4.25Å; L186-Y271 HydrophobicContact CB-CG 3.67Å; L186-Y271 HydrophobicContact CD1-CD1 3.72Å; L186-Y271 HydrophobicContact CD1-CG 4.01Å; L186-Y271 HydrophobicContact CG-CD1 4.13Å; L186-Y271 HydrophobicContact CG-CG 4.5Å
187A97.7Very high96Very high31 Ų3144.3 Ų44.326%0.25623%0.227SC..Hα-helixtrans-59.4-34.1178.500000113.1A183 G184 Y271A183-A187 WeakPolarHBondContact O-CB 3.44Å; A183-A187 PolarHBondContact O-N 3Å; G184-A187 PolarHBondContact O-N 3.3Å; A187-Y271 VanDerWaalsContact CA-CE2 3.46Å; A187-Y271 HydrophobicContact CB-CD2 4.19Å; A187-Y271 HydrophobicContact CB-CE2 3.67Å
188I97.2Very high95.7Very high24 Ų2449 Ų4912%0.12325%0.251CS..Hα-helixtrans-73.4-42.3176.1-69.6161.7000111.5G184 A185 L186 L196 H201 H204 L205 L208G184-I188 WeakPolarHBondContact O-CB 3.42Å; G184-I188 WeakPolarHBondContact O-CD1 3.4Å; G184-I188 VanDerWaalsContact O-CG1 3.24Å; G184-I188 WeakPolarHBondContact O-CG1 3.07Å; G184-I188 PolarHBondContact O-N 3.33Å; A185-I188 PolarHBondContact O-N 2.94Å; L186-I188 PolarHBondContact O-N 2.79Å; I188-L196 HydrophobicContact CG2-CD1 4.21Å; I188-H201 HydrophobicContact CG2-CB 4.44Å; I188-H204 HydrophobicContact CD1-CB 3.89Å; I188-H204 HydrophobicContact CG1-CB 4.01Å; I188-H204 HydrophobicContact CG2-CB 3.77Å; I188-L205 HydrophobicContact CD1-CD2 4.02Å; I188-L205 HydrophobicContact CD1-CG 4.43Å; I188-L205 HydrophobicContact CG2-CG 4.49Å; I188-L208 HydrophobicContact CD1-CB 4.22Å; I188-L208 HydrophobicContact CD1-CD2 4.09Å
189T94.7Very high95.3Very high42 Ų4257.3 Ų57.326%0.25828%0.284SS..Hα-helixtrans-96.6-7.8-169.359.80000114.3A185 L186 R191 H201A185-T189 WeakPolarHBondContact O-CB 3.47Å; A185-T189 WeakPolarHBondContact O-CG2 3.48Å; A185-T189 PolarHBondContact O-N 2.88Å; A185-T189 PolarHBondContact O-OG1 2.87Å; L186-T189 PolarHBondContact O-N 2.77Å; L186-T189 VanDerWaalsContact O-N 3.14Å; T189-R191 PolarHBondContact O-N 2.68Å; T189-H201 HydrophobicContact CG2-CB 4.48Å
190D93.8Very high95.2Very high10 Ų1059 Ų595%0.05329%0.292CS..  trans-68.8115.4178.3-162.1-30.8000111.4L186 N192 G193 Y271L186-D190 VanDerWaalsContact O-CB 3.27Å; L186-D190 WeakPolarHBondContact O-CB 3.31Å; L186-D190 PolarHBondContact O-N 2.86Å; D190-N192 PolarHBondContact O-N 3.43Å; D190-N192 VanDerWaalsContact O-N 3.16Å; D190-N192 PolarHBondContact OD1-N 3.25Å; D190-N192 PolarHBondContact OD1-ND2 3.04Å; D190-G193 PolarHBondContact O-N 3.31Å; D190-Y271 WeakPolarHBondContact CB-OH 3.17Å; D190-Y271 PolarHBondContact OD2-OH 3.26Å
191R91.7Very high95Very high167 Ų16756.5 Ų56.563%0.6328%0.278SS*.THydrogen-bonded Turntrans-65.6-15.6-179.8-64-176.6172.6-152.7-9.7113.6T189 K195 D198T189-R191 PolarHBondContact O-N 2.68Å; R191-K195 VanDerWaalsContact O-CG 3.3Å; R191-K195 WeakPolarHBondContact O-CG 3.2Å; R191-D198 IonicContact NH2-OD2 3.09Å
192N93Very high94.9Very high29 Ų2956.3 Ų56.316%0.15528%0.277CS..THydrogen-bonded Turntrans-95.5-8176.4-48.6-73.5000112.6D190 L279D190-N192 PolarHBondContact O-N 3.43Å; D190-N192 VanDerWaalsContact O-N 3.16Å; D190-N192 PolarHBondContact OD1-N 3.25Å; D190-N192 PolarHBondContact OD1-ND2 3.04Å; N192-L279 HydrophobicContact CB-CB 3.74Å; N192-L279 HydrophobicContact CB-CD1 4.17Å
193G92.5Very high94.9Very high28 Ų2859.1 Ų59.129%0.28929%0.292SS..THydrogen-bonded Turntrans-89.4-120.1178.100000111.4D190 K195D190-G193 PolarHBondContact O-N 3.31Å; G193-K195 PolarHBondContact O-N 2.86Å; G193-K195 VanDerWaalsContact O-N 3.08Å
194W92.2Very high94.9Very high209 Ų20961.1 Ų61.179%0.79230%0.297SS*.THydrogen-bonded Turntrans-62.9-14.5-177.8-68.2104000115L196W194-L196 HydrophobicContact CB-CD1 4.39Å; W194-L196 HydrophobicContact CB-CG 3.9Å; W194-L196 PolarHBondContact O-N 2.96Å
195K91.1Very high94.9Very high141 Ų14161.4 Ų61.461%0.61330%0.295SS*.  trans52.936.2-176.4-64.6171.1-175.9179.30112.3R191 G193R191-K195 VanDerWaalsContact O-CG 3.3Å; R191-K195 WeakPolarHBondContact O-CG 3.2Å; G193-K195 PolarHBondContact O-N 2.86Å; G193-K195 VanDerWaalsContact O-N 3.08Å
196L92.2Very high94.9Very high38 Ų3861.2 Ų61.220%0.19929%0.294CS..  trans-58.1130.6177.2-73172.2000109.5I188 W194 D198 H201I188-L196 HydrophobicContact CG2-CD1 4.21Å; W194-L196 HydrophobicContact CB-CD1 4.39Å; W194-L196 HydrophobicContact CB-CG 3.9Å; W194-L196 PolarHBondContact O-N 2.96Å; L196-D198 PolarHBondContact O-N 2.9Å; L196-H201 PolarHBondContact O-NE2 3.37Å
197P93.6Very high94.9Very high55 Ų5566.8 Ų66.836%0.35732%0.318SS..  trans-52.4139.2169.3-25.532.6000111.2Y199 L200P197-Y199 HydrophobicContact CB-CD1 3.63Å; P197-Y199 HydrophobicContact CB-CE1 3.25Å; P197-Y199 HydrophobicContact CB-CE2 4.5Å; P197-Y199 HydrophobicContact CB-CG 4.39Å; P197-Y199 HydrophobicContact CG-CE1 4.02Å; P197-Y199 PolarHBondContact O-N 2.85Å; P197-L200 HydrophobicContact CG-CD1 4.43Å; P197-L200 WeakPolarHBondContact O-CB 3.21Å; P197-L200 PolarHBondContact O-N 2.94Å
198D90.7Very high95Very high97 Ų9766.8 Ų66.852%0.51931%0.314SS..G310 helixtrans-54.9-32.6-174.2-68.2-12.5000112.8R191 L196 L200 H201R191-D198 IonicContact NH2-OD2 3.09Å; L196-D198 PolarHBondContact O-N 2.9Å; D198-L200 PolarHBondContact O-N 2.93Å; D198-H201 PolarHBondContact O-N 2.87Å; D198-H201 IonicContact OD1-CE1 3.84Å; D198-H201 PolarHBondContact OD1-CE1 3.33Å; D198-H201 VanDerWaalsContact OD1-CE1 3.24Å; D198-H201 IonicContact OD1-NE2 3.42Å
199Y91.6Very high95.1Very high175 Ų17566.3 Ų66.369%0.68631%0.311SS*.G310 helixtrans-68.4-15.6177.868.8-99.6000114.3P197P197-Y199 HydrophobicContact CB-CD1 3.63Å; P197-Y199 HydrophobicContact CB-CE1 3.25Å; P197-Y199 HydrophobicContact CB-CE2 4.5Å; P197-Y199 HydrophobicContact CB-CG 4.39Å; P197-Y199 HydrophobicContact CG-CE1 4.02Å; P197-Y199 PolarHBondContact O-N 2.85Å
200L95.9Very high95.3Very high49 Ų4968.2 Ų68.226%0.25731%0.314SS..G310 helixtrans-92.2-12175.1-67.4-176.7000113.3P197 D198 L203 H204P197-L200 HydrophobicContact CG-CD1 4.43Å; P197-L200 WeakPolarHBondContact O-CB 3.21Å; P197-L200 PolarHBondContact O-N 2.94Å; D198-L200 PolarHBondContact O-N 2.93Å; L200-L203 PolarHBondContact O-N 3.47Å; L200-H204 PolarHBondContact O-N 3.35Å; L200-H204 PolarHBondContact O-ND1 3.4Å
201H95.6Very high95.5Very high27 Ų2770 Ų7013%0.12533%0.331CS..Hα-helixtrans-58.6-45.4179.4-61.7175.1000112.5I188 T189 L196 D198 L203 H204 L205I188-H201 HydrophobicContact CG2-CB 4.44Å; T189-H201 HydrophobicContact CG2-CB 4.48Å; L196-H201 PolarHBondContact O-NE2 3.37Å; D198-H201 PolarHBondContact O-N 2.87Å; D198-H201 IonicContact OD1-CE1 3.84Å; D198-H201 PolarHBondContact OD1-CE1 3.33Å; D198-H201 VanDerWaalsContact OD1-CE1 3.24Å; D198-H201 IonicContact OD1-NE2 3.42Å; H201-L203 VanDerWaalsContact C-N 3.29Å; H201-L203 PolarHBondContact O-N 3.1Å; H201-H204 PolarHBondContact O-N 3.28Å; H201-L205 WeakPolarHBondContact O-CB 3.3Å; H201-L205 VanDerWaalsContact O-CG 3.31Å; H201-L205 WeakPolarHBondContact O-CG 3.4Å; H201-L205 PolarHBondContact O-N 3.14Å
202P97.5Very high95.8Very high12 Ų1262.4 Ų62.48%0.07830%0.303CS..Hα-helixtrans-58.2-40179.2-23.133.4000112.8Y79 V82 I83 A206Y79-P202 HydrophobicContact CD2-CB 3.91Å; Y79-P202 HydrophobicContact CE2-CB 3.99Å; V82-P202 HydrophobicContact CB-CB 4.14Å; V82-P202 HydrophobicContact CB-CG 4.49Å; V82-P202 HydrophobicContact CG1-CB 3.99Å; V82-P202 HydrophobicContact CG1-CG 3.86Å; I83-P202 HydrophobicContact CD1-CB 3.88Å; I83-P202 HydrophobicContact CD1-CG 3.75Å; I83-P202 HydrophobicContact CG1-CB 3.94Å; I83-P202 HydrophobicContact CG1-CG 4.25Å; P202-A206 WeakPolarHBondContact O-CB 3.49Å; P202-A206 PolarHBondContact O-N 3.09Å
203L97.9Very high96.1Very high59 Ų5961.3 Ų61.331%0.30930%0.297SS..Hα-helixtrans-64.8-43.6179.8-179.562.7000112Y79 L200 H201 A206 F207Y79-L203 HydrophobicContact CD2-CB 4.4Å; Y79-L203 HydrophobicContact CE2-CB 4.09Å; Y79-L203 HydrophobicContact CE2-CD1 4.45Å; L200-L203 PolarHBondContact O-N 3.47Å; H201-L203 VanDerWaalsContact C-N 3.29Å; H201-L203 PolarHBondContact O-N 3.1Å; L203-A206 VanDerWaalsContact O-CB 3.27Å; L203-A206 WeakPolarHBondContact O-CB 3.49Å; L203-A206 PolarHBondContact O-N 2.99Å; L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 HydrophobicContact CD1-CE2 3.73Å; L203-F207 HydrophobicContact CD1-CZ 4.23Å; L203-F207 HydrophobicContact CD2-CE2 4.35Å; L203-F207 HydrophobicContact CG-CD2 4.2Å; L203-F207 HydrophobicContact CG-CE2 3.79Å; L203-F207 VanDerWaalsContact O-CD2 3.31Å; L203-F207 WeakPolarHBondContact O-CD2 2.99Å; L203-F207 PolarHBondContact O-N 3.42Å; L203-F207 VanDerWaalsContact O-N 3.11Å
204H98.5Very high96.3Very high64 Ų6461.7 Ų61.730%0.29630%0.301SS..Hα-helixtrans-73.4-35.2-179.6-68.380.5000111.9I188 L200 H201 A206 F207 L208I188-H204 HydrophobicContact CD1-CB 3.89Å; I188-H204 HydrophobicContact CG1-CB 4.01Å; I188-H204 HydrophobicContact CG2-CB 3.77Å; L200-H204 PolarHBondContact O-N 3.35Å; L200-H204 PolarHBondContact O-ND1 3.4Å; H201-H204 PolarHBondContact O-N 3.28Å; H204-A206 VanDerWaalsContact C-N 3.25Å; H204-A206 PolarHBondContact O-N 3.1Å; H204-F207 PolarHBondContact O-N 3.47Å; H204-L208 WeakPolarHBondContact O-CB 3.36Å; H204-L208 PolarHBondContact O-N 2.76Å
205L98.5Very high96.6Very high22 Ų2256.4 Ų56.412%0.11530%0.295CS..Hα-helixtrans-63.2-34.7171.1-69.3169.9000111.5V78 V82 A185 I188 H201 L208 V209V78-L205 HydrophobicContact CG1-CB 4.28Å; V82-L205 HydrophobicContact CG1-CD1 4.18Å; V82-L205 HydrophobicContact CG2-CD1 4.1Å; A185-L205 HydrophobicContact CB-CD2 3.8Å; I188-L205 HydrophobicContact CD1-CD2 4.02Å; I188-L205 HydrophobicContact CD1-CG 4.43Å; I188-L205 HydrophobicContact CG2-CG 4.49Å; H201-L205 WeakPolarHBondContact O-CB 3.3Å; H201-L205 VanDerWaalsContact O-CG 3.31Å; H201-L205 WeakPolarHBondContact O-CG 3.4Å; H201-L205 PolarHBondContact O-N 3.14Å; L205-L208 HydrophobicContact CD2-CD2 4.42Å; L205-L208 PolarHBondContact O-N 2.89Å; L205-V209 WeakPolarHBondContact O-CG2 3.37Å; L205-V209 PolarHBondContact O-N 3.48Å
206A98.7Very high96.8Very high6 Ų651.3 Ų51.35%0.0527%0.273CS..Hα-helixtrans-62.9-46.817300000112.1G75 Y79 P202 L203 H204 L208 V209 Y210G75-A206 VanDerWaalsContact CA-O 3.31Å; G75-A206 WeakPolarHBondContact CA-O 3.49Å; G75-A206 WeakPolarHBondContact O-CA 3.5Å; G75-A206 VanDerWaalsContact O-CB 3.24Å; G75-A206 WeakPolarHBondContact O-CB 3.42Å; Y79-A206 HydrophobicContact CD2-CB 4.27Å; Y79-A206 HydrophobicContact CG-CB 4.42Å; P202-A206 WeakPolarHBondContact O-CB 3.49Å; P202-A206 PolarHBondContact O-N 3.09Å; L203-A206 VanDerWaalsContact O-CB 3.27Å; L203-A206 WeakPolarHBondContact O-CB 3.49Å; L203-A206 PolarHBondContact O-N 2.99Å; H204-A206 VanDerWaalsContact C-N 3.25Å; H204-A206 PolarHBondContact O-N 3.1Å; A206-L208 VanDerWaalsContact C-N 3.35Å; A206-V209 PolarHBondContact O-N 3.18Å; A206-Y210 WeakPolarHBondContact O-CB 3.24Å; A206-Y210 PolarHBondContact O-N 2.84Å
207F98.8Very high97Very high117 Ų11750.4 Ų50.451%0.51327%0.27SS..Hα-helixtrans-64.4-38.5176-74.5-54.8000112.7L203 H204 V209 Y210 A211L203-F207 HydrophobicContact CD1-CD2 4.33Å; L203-F207 HydrophobicContact CD1-CE2 3.73Å; L203-F207 HydrophobicContact CD1-CZ 4.23Å; L203-F207 HydrophobicContact CD2-CE2 4.35Å; L203-F207 HydrophobicContact CG-CD2 4.2Å; L203-F207 HydrophobicContact CG-CE2 3.79Å; L203-F207 VanDerWaalsContact O-CD2 3.31Å; L203-F207 WeakPolarHBondContact O-CD2 2.99Å; L203-F207 PolarHBondContact O-N 3.42Å; L203-F207 VanDerWaalsContact O-N 3.11Å; H204-F207 PolarHBondContact O-N 3.47Å; F207-V209 PolarHBondContact O-N 2.95Å; F207-Y210 PolarHBondContact O-N 2.85Å; F207-A211 WeakPolarHBondContact O-CB 3.38Å; F207-A211 PolarHBondContact O-N 3.5Å
208L98.8Very high97.1Very high32 Ų3254.8 Ų54.817%0.16829%0.29CS..Hα-helixtrans-58.1-48.5173.8174.860.6000111L181 I188 H204 L205 A206 A211 L212L181-L208 HydrophobicContact CD1-CD2 3.96Å; L181-L208 HydrophobicContact CD1-CG 4.29Å; I188-L208 HydrophobicContact CD1-CB 4.22Å; I188-L208 HydrophobicContact CD1-CD2 4.09Å; H204-L208 WeakPolarHBondContact O-CB 3.36Å; H204-L208 PolarHBondContact O-N 2.76Å; L205-L208 HydrophobicContact CD2-CD2 4.42Å; L205-L208 PolarHBondContact O-N 2.89Å; A206-L208 VanDerWaalsContact C-N 3.35Å; L208-A211 PolarHBondContact O-N 3.11Å; L208-L212 HydrophobicContact CD1-CD1 3.99Å; L208-L212 HydrophobicContact CD1-CG 4.27Å; L208-L212 HydrophobicContact CG-CD1 4.02Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 3.41Å
209V98.8Very high97.5Very high13 Ų1352.7 Ų52.78%0.07928%0.279CS..Hα-helixtrans-72.2-38-178.8171.30000111.9W74 V78 L181 L205 A206 F207 A211 L212 V213W74-V209 HydrophobicContact CB-CG1 4.49Å; V78-V209 HydrophobicContact CB-CB 4.28Å; V78-V209 HydrophobicContact CB-CG1 4.43Å; V78-V209 HydrophobicContact CB-CG2 4.25Å; V78-V209 HydrophobicContact CG1-CG2 4.1Å; V78-V209 HydrophobicContact CG2-CB 4.09Å; V78-V209 HydrophobicContact CG2-CG1 3.82Å; V78-V209 HydrophobicContact CG2-CG2 3.93Å; L181-V209 HydrophobicContact CD1-CG2 3.79Å; L205-V209 WeakPolarHBondContact O-CG2 3.37Å; L205-V209 PolarHBondContact O-N 3.48Å; A206-V209 PolarHBondContact O-N 3.18Å; F207-V209 PolarHBondContact O-N 2.95Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.13Å; V209-L212 PolarHBondContact O-N 2.83Å; V209-V213 HydrophobicContact CG1-CG2 4.12Å; V209-V213 WeakPolarHBondContact O-CG2 3.39Å; V209-V213 PolarHBondContact O-N 2.77Å
210Y98.7Very high97.7Very high82 Ų8244.3 Ų44.332%0.32225%0.246SC..Hα-helixtrans-52.8-49.6170.1164.7-117.5000111.4L68 L72 A206 F207 G214L68-Y210 HydrophobicContact CD1-CE2 4.22Å; L68-Y210 WeakPolarHBondContact CD1-OH 3.03Å; L72-Y210 HydrophobicContact CB-CD2 4.27Å; L72-Y210 HydrophobicContact CB-CE2 4.26Å; L72-Y210 HydrophobicContact CD1-CD2 4.31Å; L72-Y210 HydrophobicContact CD1-CE2 4.46Å; A206-Y210 WeakPolarHBondContact O-CB 3.24Å; A206-Y210 PolarHBondContact O-N 2.84Å; F207-Y210 PolarHBondContact O-N 2.85Å; Y210-G214 PolarHBondContact O-N 2.95Å
211A98.7Very high97.7Very high49 Ų4943.4 Ų43.441%0.40525%0.248SC..Hα-helixtrans-63.4-44.7178.100000111.9F207 L208 V209 G214 C215F207-A211 WeakPolarHBondContact O-CB 3.38Å; F207-A211 PolarHBondContact O-N 3.5Å; L208-A211 PolarHBondContact O-N 3.11Å; V209-A211 VanDerWaalsContact C-N 3.3Å; V209-A211 PolarHBondContact O-N 3.13Å; A211-G214 PolarHBondContact O-N 3.22Å; A211-C215 WeakPolarHBondContact O-CB 3.44Å; A211-C215 PolarHBondContact O-N 3.27Å; A211-C215 PolarHBondContact O-SG 3.27Å
212L98.8Very high97.6Very high7 Ų742.4 Ų42.44%0.03725%0.245CC..Hα-helixtrans-63.8-43.1179.4-71.4169.7000112.5L180 L181 L208 V209 G214 C215 F216 L224L180-L212 HydrophobicContact CB-CD2 3.77Å; L180-L212 HydrophobicContact CD1-CD2 4.24Å; L181-L212 HydrophobicContact CB-CD1 3.7Å; L181-L212 HydrophobicContact CD1-CD1 3.92Å; L181-L212 HydrophobicContact CG-CD1 4.38Å; L208-L212 HydrophobicContact CD1-CD1 3.99Å; L208-L212 HydrophobicContact CD1-CG 4.27Å; L208-L212 HydrophobicContact CG-CD1 4.02Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 3.41Å; V209-L212 PolarHBondContact O-N 2.83Å; L212-G214 VanDerWaalsContact C-N 3.33Å; L212-C215 PolarHBondContact O-N 3.29Å; L212-F216 HydrophobicContact CD2-CD2 3.92Å; L212-F216 HydrophobicContact CD2-CE2 3.86Å; L212-F216 WeakPolarHBondContact O-CB 3.25Å; L212-F216 WeakPolarHBondContact O-CD2 3.09Å; L212-F216 PolarHBondContact O-N 3Å; L212-L224 HydrophobicContact CB-CD1 3.89Å; L212-L224 HydrophobicContact CD1-CD1 4.17Å
213V98.5Very high97.6Very high6 Ų642 Ų424%0.03624%0.243CC..Hα-helixtrans-64.9-41.7175.4178.10000110.1F67 W74 V209 C215 A217 A222F67-V213 WeakPolarHBondContact CZ-O 3.14Å; W74-V213 HydrophobicContact CB-CG2 3.83Å; W74-V213 HydrophobicContact CG-CG2 4.31Å; V209-V213 HydrophobicContact CG1-CG2 4.12Å; V209-V213 WeakPolarHBondContact O-CG2 3.39Å; V209-V213 PolarHBondContact O-N 2.77Å; V213-C215 PolarHBondContact O-N 3.27Å; V213-A217 HydrophobicContact CG1-CB 4.08Å; V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 3.41Å; V213-A222 HydrophobicContact CB-CB 4.48Å; V213-A222 HydrophobicContact CG2-CB 4.1Å
214G97.4Very high97.6Very high35 Ų3539.6 Ų39.636%0.36123%0.23SC..Hα-helixtrans-57-30.7173.600000114.3Y210 A211 L212Y210-G214 PolarHBondContact O-N 2.95Å; A211-G214 PolarHBondContact O-N 3.22Å; L212-G214 VanDerWaalsContact C-N 3.33Å
215C97.4Very high97.6Very high99 Ų9937 Ų3767%0.66922%0.218SC*.Hα-helixtrans-100.1-30-175.6-66.10000115A211 L212 V213A211-C215 WeakPolarHBondContact O-CB 3.44Å; A211-C215 PolarHBondContact O-N 3.27Å; A211-C215 PolarHBondContact O-SG 3.27Å; L212-C215 PolarHBondContact O-N 3.29Å; V213-C215 PolarHBondContact O-N 3.27Å
216F96.8Very high97.7Very high34 Ų3436 Ų3615%0.14921%0.213CC..Hα-helixtrans-122.69.1-166.4-64.6-85.6000114.5L176 L180 L212 A222L176-F216 HydrophobicContact CB-CE1 4.41Å; L176-F216 HydrophobicContact CD2-CE1 3.96Å; L176-F216 HydrophobicContact CD2-CZ 4.26Å; L176-F216 HydrophobicContact CG-CE1 4Å; L176-F216 HydrophobicContact CG-CZ 4.15Å; L180-F216 HydrophobicContact CD1-CE2 3.82Å; L180-F216 HydrophobicContact CD1-CZ 3.72Å; L212-F216 HydrophobicContact CD2-CD2 3.92Å; L212-F216 HydrophobicContact CD2-CE2 3.86Å; L212-F216 WeakPolarHBondContact O-CB 3.25Å; L212-F216 WeakPolarHBondContact O-CD2 3.09Å; L212-F216 PolarHBondContact O-N 3Å; F216-A222 PolarHBondContact O-N 3.26Å
217A95.8Very high97.7Very high18 Ų1835.8 Ų35.815%0.14921%0.211CC..Hα-helixtrans-81.4-20-176.100000114.9F67 V213 G221 A222F67-A217 HydrophobicContact CE2-CB 3.61Å; F67-A217 HydrophobicContact CZ-CB 3.83Å; V213-A217 HydrophobicContact CG1-CB 4.08Å; V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 3.41Å; A217-G221 WeakPolarHBondContact O-CA 3.17Å; A217-G221 PolarHBondContact O-N 2.94Å; A217-A222 HydrophobicContact CB-CB 4.06Å
218L96.4Very high97.7Very high148 Ų14830.7 Ų30.778%0.77519%0.188SC*.Hα-helixtrans-66.6-44.6-173.6-179.161.5000113.3
219N97.9Very high97.6Very high52 Ų5229.1 Ų29.128%0.27818%0.181SC..Hα-helixtrans-80.3-43.1-171.8-60.4-45.7000112.5G164 A165 C170 D173G164-N219 WeakPolarHBondContact CA-O 3.36Å; G164-N219 PolarHBondContact N-O 3.44Å; A165-N219 HydrophobicContact CB-CB 4.27Å; A165-N219 PolarHBondContact N-O 3.45Å; C170-N219 PolarHBondContact SG-O 2.91Å; D173-N219 HydrophobicContact CB-CB 4.21Å; D173-N219 WeakPolarHBondContact OD2-CB 3.3Å; D173-N219 PolarHBondContact OD2-ND2 3.36Å
220A97Very high97.7Very high0 Ų030.4 Ų30.40%019%0.187CC..Hα-helixtrans-138.613.6-168.500000113.6T161 C170 Q174 A222 F252T161-A220 WeakPolarHBondContact CB-O 3.29Å; T161-A220 PolarHBondContact OG1-O 3.29Å; C170-A220 HydrophobicContact CB-CB 3.78Å; Q174-A220 HydrophobicContact CG-CB 3.91Å; A220-A222 VanDerWaalsContact C-N 3.27Å; A220-A222 PolarHBondContact O-N 3.46Å; A220-F252 HydrophobicContact CB-CZ 4.22Å
221G94.7Very high97.7Very high29 Ų2926.5 Ų26.530%0.29917%0.171SC..THydrogen-bonded Turntrans72.412.6176.400000115.4A217 A223A217-G221 WeakPolarHBondContact O-CA 3.17Å; A217-G221 PolarHBondContact O-N 2.94Å; G221-A223 PolarHBondContact O-N 2.93Å
222A94.9Very high97.7Very high7 Ų724.2 Ų24.26%0.05815%0.152CC..THydrogen-bonded Turntrans49.453.5-178.800000113.2V213 F216 A217 A220 L224V213-A222 HydrophobicContact CB-CB 4.48Å; V213-A222 HydrophobicContact CG2-CB 4.1Å; F216-A222 PolarHBondContact O-N 3.26Å; A217-A222 HydrophobicContact CB-CB 4.06Å; A220-A222 VanDerWaalsContact C-N 3.27Å; A220-A222 PolarHBondContact O-N 3.46Å; A222-L224 HydrophobicContact CB-CD1 4.32Å; A222-L224 HydrophobicContact CB-CG 4.39Å
223A96.5Very high97.7Very high4 Ų423.9 Ų23.93%0.03315%0.151CC..  trans-61.1-50.2179.800000111.9T161 Q174 G221 N225 R228 P256T161-A223 HydrophobicContact CG2-CB 3.72Å; Q174-A223 VanDerWaalsContact OE1-N 3.11Å; G221-A223 PolarHBondContact O-N 2.93Å; A223-N225 WeakPolarHBondContact O-CB 3.44Å; A223-N225 PolarHBondContact O-N 3.06Å; A223-R228 WeakPolarHBondContact O-CD 3.38Å; A223-P256 HydrophobicContact CB-CB 3.45Å; A223-P256 VanDerWaalsContact CB-CB 3.45Å
224L98.5Very high97.7Very high7 Ų726.7 Ų26.74%0.03717%0.165CC..  trans56.7-3.2173.2-52172.1000116.2N94 G177 T178 L181 L212 A222N94-L224 PolarHBondContact ND2-O 3.26Å; G177-L224 VanDerWaalsContact C-CD2 3.41Å; T178-L224 WeakPolarHBondContact CG2-O 3.24Å; T178-L224 WeakPolarHBondContact OG1-CA 3.41Å; L181-L224 HydrophobicContact CD2-CB 3.96Å; L212-L224 HydrophobicContact CB-CD1 3.89Å; L212-L224 HydrophobicContact CD1-CD1 4.17Å; A222-L224 HydrophobicContact CB-CD1 4.32Å; A222-L224 HydrophobicContact CB-CG 4.39Å
225N98.9Very high97.8Very high9 Ų925 Ų255%0.04815%0.148CC..  trans-155.9112.5-163.6177.9-14.7000109.3I93 N94 P95 A223 A227 R228I93-N225 PolarHBondContact O-ND2 2.88Å; N94-N225 HydrophobicContact CB-CB 4.38Å; N94-N225 VanDerWaalsContact CG-CG 3.45Å; N94-N225 WeakPolarHBondContact ND2-CB 3.38Å; P95-N225 VanDerWaalsContact CD-OD1 3.26Å; P95-N225 WeakPolarHBondContact CD-OD1 3.39Å; A223-N225 WeakPolarHBondContact O-CB 3.44Å; A223-N225 PolarHBondContact O-N 3.06Å; N225-A227 VanDerWaalsContact C-N 3.27Å; N225-A227 PolarHBondContact O-N 2.94Å; N225-A227 WeakPolarHBondContact OD1-CB 3.38Å; N225-A227 PolarHBondContact OD1-N 3.49Å; N225-R228 HydrophobicContact CB-CB 3.69Å; N225-R228 WeakPolarHBondContact O-CB 3.47Å; N225-R228 PolarHBondContact O-N 2.76Å; N225-R228 VanDerWaalsContact O-N 3.16Å; N225-R228 PolarHBondContact OD1-N 3.31Å
226P98.9Very high97.8Very high3 Ų320.3 Ų20.32%0.01912%0.116CC..Hα-helixtrans-59.6-33.7-179.8-26.135.5000113.7N94 P95 A96 D229 L230 P260 Y261N94-P226 WeakPolarHBondContact OD1-CD 3.45Å; P95-P226 HydrophobicContact CB-CB 4.31Å; P95-P226 HydrophobicContact CB-CG 4.32Å; P95-P226 HydrophobicContact CG-CB 4.28Å; A96-P226 HydrophobicContact CB-CG 4Å; P226-D229 PolarHBondContact O-N 3.27Å; P226-L230 WeakPolarHBondContact O-CB 3.43Å; P226-L230 PolarHBondContact O-N 3.14Å; P226-P260 HydrophobicContact CG-CB 4.05Å; P226-Y261 HydrophobicContact CB-CE2 3.92Å; P226-Y261 HydrophobicContact CG-CD2 3.86Å; P226-Y261 HydrophobicContact CG-CE1 4.42Å; P226-Y261 HydrophobicContact CG-CE2 3.61Å; P226-Y261 HydrophobicContact CG-CG 4.35Å
227A98.9Very high97.9Very high0 Ų022 Ų220%013%0.126CC..Hα-helixtrans-70.1-39178.100000112T40 P95 Q119 I120 A123 N225 D229 G231 P232T40-A227 HydrophobicContact CG2-CB 4.29Å; P95-A227 HydrophobicContact CG-CB 3.73Å; Q119-A227 HydrophobicContact CB-CB 3.82Å; I120-A227 HydrophobicContact CG1-CB 4.08Å; A123-A227 HydrophobicContact CB-CB 4.37Å; A123-A227 WeakPolarHBondContact CB-O 3.29Å; N225-A227 VanDerWaalsContact C-N 3.27Å; N225-A227 PolarHBondContact O-N 2.94Å; N225-A227 WeakPolarHBondContact OD1-CB 3.38Å; N225-A227 PolarHBondContact OD1-N 3.49Å; A227-D229 PolarHBondContact O-N 2.88Å; A227-D229 VanDerWaalsContact O-N 3.09Å; A227-G231 PolarHBondContact O-N 2.85Å; A227-G231 VanDerWaalsContact O-N 3.1Å; A227-P232 WeakPolarHBondContact O-CD 3.39Å
228R98.4Very high98Very high10 Ų1027.8 Ų27.84%0.03815%0.152CC..Hα-helixtrans-62.2-13.8178-179.5-100.2173.3-928.7113.4M44 W74 F159 A223 N225 P232M44-R228 HydrophobicContact CE-CG 4.27Å; M44-R228 HydrophobicContact SD-CB 3.99Å; M44-R228 HydrophobicContact SD-CG 3.59Å; M44-R228 VanDerWaalsContact SD-CG 3.59Å; W74-R228 HydrophobicContact CH2-CG 3.82Å; W74-R228 VanDerWaalsContact CZ2-CZ 3.42Å; W74-R228 HydrophobicContact CZ3-CG 3.8Å; F159-R228 PolarHBondContact O-NH1 3.03Å; A223-R228 WeakPolarHBondContact O-CD 3.38Å; N225-R228 HydrophobicContact CB-CB 3.69Å; N225-R228 WeakPolarHBondContact O-CB 3.47Å; N225-R228 PolarHBondContact O-N 2.76Å; N225-R228 VanDerWaalsContact O-N 3.16Å; N225-R228 PolarHBondContact OD1-N 3.31Å; R228-P232 VanDerWaalsContact O-CG 3.28Å; R228-P232 WeakPolarHBondContact O-CG 3.43Å
229D98.8Very high98.1Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-118-45.3178.3-169.1-98.6000112.3T161 P226 A227 P232 R233 P256T161-D229 PolarHBondContact N-OD2 3.45Å; T161-D229 PolarHBondContact OG1-OD2 3.32Å; P226-D229 PolarHBondContact O-N 3.27Å; A227-D229 PolarHBondContact O-N 2.88Å; A227-D229 VanDerWaalsContact O-N 3.09Å; D229-P232 WeakPolarHBondContact O-CD 3.48Å; D229-R233 WeakPolarHBondContact O-CB 3.28Å; D229-R233 VanDerWaalsContact O-CG 3.28Å; D229-R233 WeakPolarHBondContact O-CG 3.41Å; D229-R233 PolarHBondContact O-N 3.26Å; D229-R233 IonicContact OD1-CZ 2.77Å; D229-R233 IonicContact OD1-NE 2.65Å; D229-R233 PolarHBondContact OD1-NE 2.93Å; D229-R233 IonicContact OD1-NH2 3.18Å; D229-R233 PolarHBondContact OD1-NH2 3.3Å; D229-R233 IonicContact OD2-CZ 3.19Å; D229-R233 IonicContact OD2-NE 2.63Å; D229-R233 IonicContact OD2-NH2 2.89Å; D229-R233 PolarHBondContact OD2-NH2 2.93Å; D229-R233 VanDerWaalsContact OD2-NH2 3.09Å; D229-P256 HydrophobicContact CB-CB 3.92Å; D229-P256 HydrophobicContact CB-CG 4.17Å; D229-P256 VanDerWaalsContact CG-CG 3.42Å; D229-P256 WeakPolarHBondContact OD1-CG 3.47Å
230L98.8Very high98.1Very high40 Ų4022.1 Ų22.121%0.20914%0.137CC..Hα-helixtrans-67.1-42.8-180-178.357.8000113.2I120 P226 R233 L234 F246 I257I120-L230 HydrophobicContact CD1-CD2 3.87Å; I120-L230 HydrophobicContact CG1-CD2 4.47Å; P226-L230 WeakPolarHBondContact O-CB 3.43Å; P226-L230 PolarHBondContact O-N 3.14Å; L230-R233 PolarHBondContact O-N 3.43Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.28Å; L230-L234 VanDerWaalsContact O-N 3.11Å; L230-F246 HydrophobicContact CD1-CE1 4.07Å; L230-F246 HydrophobicContact CD1-CZ 4.29Å; L230-I257 HydrophobicContact CB-CD1 4.38Å; L230-I257 HydrophobicContact CD1-CD1 4.11Å
231G98.9Very high98.2Very high0 Ų022.6 Ų22.60%014%0.139CC..Hα-helixtrans-58.6-53.1177.500000112.4A227 R233 L234 M235A227-G231 PolarHBondContact O-N 2.85Å; A227-G231 VanDerWaalsContact O-N 3.1Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 2.97Å; G231-L234 WeakPolarHBondContact O-CB 3.39Å; G231-L234 PolarHBondContact O-N 2.8Å; G231-M235 PolarHBondContact O-N 2.89Å; G231-M235 VanDerWaalsContact O-N 3.13Å
232P98.9Very high98.4Very high0 Ų022.4 Ų22.40%014%0.137CC..Hα-helixtrans-66.3-28.5175.8-9.316.4000114.2M44 S127 F159 V160 A227 R228 D229 M235 I236M44-P232 HydrophobicContact CE-CB 4.49Å; M44-P232 HydrophobicContact CE-CG 3.54Å; M44-P232 HydrophobicContact SD-CG 4.36Å; S127-P232 WeakPolarHBondContact OG-CB 3.38Å; S127-P232 VanDerWaalsContact OG-CG 3.28Å; S127-P232 WeakPolarHBondContact OG-CG 3.28Å; F159-P232 HydrophobicContact CB-CB 3.8Å; F159-P232 WeakPolarHBondContact O-CB 3.29Å; F159-P232 WeakPolarHBondContact O-CG 3.45Å; V160-P232 HydrophobicContact CG1-CB 3.95Å; A227-P232 WeakPolarHBondContact O-CD 3.39Å; R228-P232 VanDerWaalsContact O-CG 3.28Å; R228-P232 WeakPolarHBondContact O-CG 3.43Å; D229-P232 WeakPolarHBondContact O-CD 3.48Å; P232-M235 WeakPolarHBondContact O-CB 3.28Å; P232-M235 PolarHBondContact O-N 3.18Å; P232-I236 PolarHBondContact O-N 3.13Å
233R98.8Very high98.6Very high1 Ų124.5 Ų24.50%0.00416%0.159CC..Hα-helixtrans-60.1-44.5170.7-81.1-175.1-163-67.3-19.2112.3V160 T161 D229 L230 G231 M235 I236 L237 A245 F246V160-R233 HydrophobicContact CB-CG 4.19Å; V160-R233 HydrophobicContact CG1-CB 4.27Å; V160-R233 HydrophobicContact CG1-CG 3.5Å; T161-R233 PolarHBondContact O-NH2 3.09Å; D229-R233 WeakPolarHBondContact O-CB 3.28Å; D229-R233 VanDerWaalsContact O-CG 3.28Å; D229-R233 WeakPolarHBondContact O-CG 3.41Å; D229-R233 PolarHBondContact O-N 3.26Å; D229-R233 IonicContact OD1-CZ 2.77Å; D229-R233 IonicContact OD1-NE 2.65Å; D229-R233 PolarHBondContact OD1-NE 2.93Å; D229-R233 IonicContact OD1-NH2 3.18Å; D229-R233 PolarHBondContact OD1-NH2 3.3Å; D229-R233 IonicContact OD2-CZ 3.19Å; D229-R233 IonicContact OD2-NE 2.63Å; D229-R233 IonicContact OD2-NH2 2.89Å; D229-R233 PolarHBondContact OD2-NH2 2.93Å; D229-R233 VanDerWaalsContact OD2-NH2 3.09Å; L230-R233 PolarHBondContact O-N 3.43Å; G231-R233 VanDerWaalsContact C-N 3.34Å; G231-R233 PolarHBondContact O-N 2.97Å; R233-M235 VanDerWaalsContact C-N 3.27Å; R233-M235 PolarHBondContact O-N 2.97Å; R233-I236 WeakPolarHBondContact O-CG1 3.23Å; R233-I236 PolarHBondContact O-N 3.02Å; R233-L237 WeakPolarHBondContact O-CB 3.45Å; R233-L237 PolarHBondContact O-N 2.89Å; R233-A245 WeakPolarHBondContact CD-O 3.35Å; R233-A245 PolarHBondContact NH1-O 2.88Å; R233-F246 HydrophobicContact CB-CE1 4.13Å; R233-F246 HydrophobicContact CB-CE2 4.3Å; R233-F246 HydrophobicContact CB-CZ 3.79Å
234L98.9Very high98.6Very high65 Ų6526 Ų2634%0.3417%0.169SC..Hα-helixtrans-62.6-37.3174.6-65.2170.9000111.3I120 F124 L230 G231 L237 M238 F246I120-L234 HydrophobicContact CG2-CD1 4.21Å; F124-L234 HydrophobicContact CD2-CB 3.95Å; F124-L234 HydrophobicContact CE2-CB 4.29Å; L230-L234 WeakPolarHBondContact O-CG 3.41Å; L230-L234 PolarHBondContact O-N 3.28Å; L230-L234 VanDerWaalsContact O-N 3.11Å; G231-L234 WeakPolarHBondContact O-CB 3.39Å; G231-L234 PolarHBondContact O-N 2.8Å; L234-L237 WeakPolarHBondContact O-CB 3.5Å; L234-M238 WeakPolarHBondContact O-CG 3.09Å; L234-M238 PolarHBondContact O-N 3.3Å; L234-F246 HydrophobicContact CD2-CE2 4.48Å; L234-F246 HydrophobicContact CD2-CZ 4.06Å
235M98.9Very high98.6Very high0 Ų025.7 Ų25.70%017%0.167CC..Hα-helixtrans-64-53.4175.7-177.1-78.7-7100111.4F124 L128 Y131 F159 G231 P232 R233 L237 M238 C239F124-M235 HydrophobicContact CD2-CB 3.73Å; F124-M235 VanDerWaalsContact CE2-CA 3.44Å; F124-M235 HydrophobicContact CE2-CB 3.8Å; F124-M235 HydrophobicContact CE2-CG 4.46Å; F124-M235 HydrophobicContact CG-CB 4.43Å; L128-M235 HydrophobicContact CB-CG 4.04Å; L128-M235 HydrophobicContact CD1-CG 4.19Å; Y131-M235 HydrophobicContact CG-SD 4.29Å; F159-M235 HydrophobicContact CB-CE 4.11Å; F159-M235 HydrophobicContact CD1-CE 3.48Å; F159-M235 VanDerWaalsContact CD1-CE 3.48Å; F159-M235 HydrophobicContact CD2-CE 3.76Å; F159-M235 HydrophobicContact CE1-CE 3.72Å; F159-M235 HydrophobicContact CE2-CE 4Å; F159-M235 HydrophobicContact CG-CE 3.49Å; F159-M235 VanDerWaalsContact CG-CE 3.49Å; F159-M235 HydrophobicContact CZ-CE 3.98Å; G231-M235 PolarHBondContact O-N 2.89Å; G231-M235 VanDerWaalsContact O-N 3.13Å; P232-M235 WeakPolarHBondContact O-CB 3.28Å; P232-M235 PolarHBondContact O-N 3.18Å; R233-M235 VanDerWaalsContact C-N 3.27Å; R233-M235 PolarHBondContact O-N 2.97Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 2.89Å; M235-M238 CarbonylContact O-C 3.55Å; M235-M238 WeakPolarHBondContact O-CA 3.35Å; M235-M238 WeakPolarHBondContact O-CB 3.34Å; M235-M238 PolarHBondContact O-N 3.11Å; M235-C239 WeakPolarHBondContact O-CB 3.44Å; M235-C239 PolarHBondContact O-N 3.42Å; M235-C239 PolarHBondContact O-SG 2.95Å; M235-C239 HydrophobicContact SD-CB 3.91Å; M235-C239 VanDerWaalsContact SD-SG 3.68Å
236I98.8Very high98.6Very high0 Ų027.5 Ų27.50%018%0.175CC..Hα-helixtrans-67.7-29.2-177.366.9173.7000112.5V152 F159 V160 P232 R233 M238 C239 G240 W241 A245V152-I236 HydrophobicContact CG1-CD1 4.35Å; V152-I236 HydrophobicContact CG2-CD1 4.12Å; F159-I236 HydrophobicContact CB-CG2 4.09Å; F159-I236 HydrophobicContact CD2-CG2 3.8Å; F159-I236 HydrophobicContact CG-CG2 4.18Å; V160-I236 HydrophobicContact CG1-CD1 3.87Å; V160-I236 HydrophobicContact CG2-CD1 3.83Å; P232-I236 PolarHBondContact O-N 3.13Å; R233-I236 WeakPolarHBondContact O-CG1 3.23Å; R233-I236 PolarHBondContact O-N 3.02Å; I236-M238 PolarHBondContact O-N 3.46Å; I236-C239 PolarHBondContact O-N 2.63Å; I236-G240 PolarHBondContact O-N 3.11Å; I236-W241 HydrophobicContact CB-CB 4.07Å; I236-W241 HydrophobicContact CB-CD2 3.78Å; I236-W241 HydrophobicContact CB-CE3 3.57Å; I236-W241 HydrophobicContact CB-CG 4.02Å; I236-W241 HydrophobicContact CB-CZ3 4.28Å; I236-W241 HydrophobicContact CD1-CB 4.5Å; I236-W241 HydrophobicContact CD1-CG 4.47Å; I236-W241 HydrophobicContact CG1-CB 4.38Å; I236-W241 HydrophobicContact CG2-CD2 4.13Å; I236-W241 HydrophobicContact CG2-CE3 3.85Å; I236-W241 HydrophobicContact CG2-CZ3 4.08Å; I236-W241 WeakPolarHBondContact O-CB 3.43Å; I236-W241 PolarHBondContact O-N 3.49Å; I236-W241 VanDerWaalsContact O-N 3.1Å; I236-A245 HydrophobicContact CD1-CB 4Å; I236-A245 HydrophobicContact CG1-CB 3.7Å
237L98.8Very high98.6Very high69 Ų6930.4 Ų30.436%0.36119%0.193SC..Hα-helixtrans-53.7-44.6169.3175.971.3000110.6R233 L234 M235 G242 A245 F246R233-L237 WeakPolarHBondContact O-CB 3.45Å; R233-L237 PolarHBondContact O-N 2.89Å; L234-L237 WeakPolarHBondContact O-CB 3.5Å; M235-L237 VanDerWaalsContact C-N 3.28Å; M235-L237 PolarHBondContact O-N 2.89Å; L237-G242 WeakPolarHBondContact CD1-O 3.39Å; L237-A245 HydrophobicContact CB-CB 3.97Å; L237-F246 HydrophobicContact CB-CE2 4.39Å; L237-F246 HydrophobicContact CD2-CE2 4.13Å
238M98.5Very high98.6Very high140 Ų14031.8 Ų31.869%0.6920%0.202SC*.Hα-helixtrans-80.8-29.8-179.2-65.9173.959.200113.4F124 L234 M235 I236 G240F124-M238 HydrophobicContact CE2-SD 3.73Å; F124-M238 HydrophobicContact CZ-CE 4.24Å; F124-M238 HydrophobicContact CZ-SD 3.78Å; L234-M238 WeakPolarHBondContact O-CG 3.09Å; L234-M238 PolarHBondContact O-N 3.3Å; M235-M238 CarbonylContact O-C 3.55Å; M235-M238 WeakPolarHBondContact O-CA 3.35Å; M235-M238 WeakPolarHBondContact O-CB 3.34Å; M235-M238 PolarHBondContact O-N 3.11Å; I236-M238 PolarHBondContact O-N 3.46Å; M238-G240 PolarHBondContact O-N 3.42Å
239C98.4Very high98.6Very high25 Ų2532.6 Ų32.617%0.16921%0.214CC..THydrogen-bonded Turntrans-94.517.2-172-68.10000114.7Y131 L150 M235 I236 W241Y131-C239 HydrophobicContact CD1-CB 4.23Å; Y131-C239 HydrophobicContact CE1-CB 3.85Å; Y131-C239 HydrophobicContact CE2-CB 4.27Å; Y131-C239 PolarHBondContact OH-O 3.07Å; L150-C239 WeakPolarHBondContact CD1-O 3.36Å; M235-C239 WeakPolarHBondContact O-CB 3.44Å; M235-C239 PolarHBondContact O-N 3.42Å; M235-C239 PolarHBondContact O-SG 2.95Å; M235-C239 HydrophobicContact SD-CB 3.91Å; M235-C239 VanDerWaalsContact SD-SG 3.68Å; I236-C239 PolarHBondContact O-N 2.63Å; C239-W241 HydrophobicContact CB-CE3 4.38Å; C239-W241 HydrophobicContact CB-CZ3 4.12Å
240G98Very high98.5Very high55 Ų5538.6 Ų38.657%0.56725%0.246SC*.THydrogen-bonded Turntrans112-10.5166.300000116.3I236 M238 G242I236-G240 PolarHBondContact O-N 3.11Å; M238-G240 PolarHBondContact O-N 3.42Å; G240-G242 PolarHBondContact O-N 3.5Å
241W98.5Very high98.5Very high11 Ų1142.9 Ų42.94%0.04226%0.26CS..  trans-70.9-22.4168.6-71.7-98.5000111.5Y131 I138 L150 I151 V152 T155 F159 I236 C239 S244Y131-W241 HydrophobicContact CD2-CH2 4.03Å; Y131-W241 HydrophobicContact CD2-CZ3 4.04Å; Y131-W241 AromaticContact CE2-CH2 3.87Å; Y131-W241 HydrophobicContact CE2-CH2 3.87Å; Y131-W241 AromaticContact CE2-CZ3 3.74Å; Y131-W241 HydrophobicContact CE2-CZ3 3.74Å; I138-W241 HydrophobicContact CG2-CH2 3.89Å; I138-W241 HydrophobicContact CG2-CZ2 4.12Å; L150-W241 VanDerWaalsContact C-CD1 3.44Å; L150-W241 HydrophobicContact CB-CD2 3.82Å; L150-W241 HydrophobicContact CB-CE3 4.38Å; L150-W241 HydrophobicContact CB-CG 3.97Å; L150-W241 HydrophobicContact CB-CZ2 4.3Å; L150-W241 HydrophobicContact CD1-CD2 4.22Å; L150-W241 HydrophobicContact CD1-CE3 3.93Å; L150-W241 HydrophobicContact CD1-CH2 4.24Å; L150-W241 HydrophobicContact CD1-CZ3 3.94Å; L150-W241 HydrophobicContact CD2-CH2 4.12Å; L150-W241 HydrophobicContact CD2-CZ2 3.92Å; L150-W241 HydrophobicContact CG-CZ2 4.47Å; L150-W241 VanDerWaalsContact O-CD1 3.31Å; I151-W241 VanDerWaalsContact C-NE1 3.34Å; I151-W241 PolarHBondContact O-NE1 2.88Å; I151-W241 VanDerWaalsContact O-NE1 3.1Å; V152-W241 HydrophobicContact CG2-CB 4.15Å; V152-W241 HydrophobicContact CG2-CG 4.22Å; T155-W241 WeakPolarHBondContact OG1-CZ2 3.36Å; T155-W241 PolarHBondContact OG1-NE1 3.28Å; F159-W241 HydrophobicContact CD2-CH2 4.46Å; F159-W241 HydrophobicContact CE2-CH2 4.01Å; F159-W241 HydrophobicContact CE2-CZ2 4.47Å; I236-W241 HydrophobicContact CB-CB 4.07Å; I236-W241 HydrophobicContact CB-CD2 3.78Å; I236-W241 HydrophobicContact CB-CE3 3.57Å; I236-W241 HydrophobicContact CB-CG 4.02Å; I236-W241 HydrophobicContact CB-CZ3 4.28Å; I236-W241 HydrophobicContact CD1-CB 4.5Å; I236-W241 HydrophobicContact CD1-CG 4.47Å; I236-W241 HydrophobicContact CG1-CB 4.38Å; I236-W241 HydrophobicContact CG2-CD2 4.13Å; I236-W241 HydrophobicContact CG2-CE3 3.85Å; I236-W241 HydrophobicContact CG2-CZ3 4.08Å; I236-W241 WeakPolarHBondContact O-CB 3.43Å; I236-W241 PolarHBondContact O-N 3.49Å; I236-W241 VanDerWaalsContact O-N 3.1Å; C239-W241 HydrophobicContact CB-CE3 4.38Å; C239-W241 HydrophobicContact CB-CZ3 4.12Å; W241-S244 PolarHBondContact O-OG 3.49Å
242G98.2Very high98.5Very high25 Ų2543 Ų4326%0.25826%0.261SS..THydrogen-bonded Turntrans62.2-151.2175.600000112.8L237 G240 S244 A245L237-G242 WeakPolarHBondContact CD1-O 3.39Å; G240-G242 PolarHBondContact O-N 3.5Å; G242-S244 PolarHBondContact O-N 2.87Å; G242-A245 VanDerWaalsContact O-CB 3.3Å; G242-A245 WeakPolarHBondContact O-CB 3.16Å; G242-A245 PolarHBondContact O-N 3.47Å
243G98.3Very high98.5Very high50 Ų5045.9 Ų45.952%0.51527%0.274SS..THydrogen-bonded Turntrans-57.1-20.2-175.600000114.5A245 F246 T247G243-A245 PolarHBondContact O-N 3Å; G243-A245 VanDerWaalsContact O-N 3.1Å; G243-F246 PolarHBondContact O-N 2.96Å; G243-T247 PolarHBondContact O-N 3.09Å
244S98.4Very high98.5Very high36 Ų3650 Ų5025%0.25229%0.289SS..Hα-helixtrans-58.9-22174.875.80000113.5V152 W241 G242 F246 T247 S248V152-S244 VanDerWaalsContact CG2-OG 3.24Å; V152-S244 WeakPolarHBondContact CG2-OG 3.47Å; W241-S244 PolarHBondContact O-OG 3.49Å; G242-S244 PolarHBondContact O-N 2.87Å; S244-F246 PolarHBondContact O-N 3.13Å; S244-T247 WeakPolarHBondContact CA-OG1 3.5Å; S244-T247 PolarHBondContact O-N 3.06Å; S244-S248 WeakPolarHBondContact O-CB 3.48Å; S244-S248 PolarHBondContact O-N 2.95Å
245A98.6Very high98.5Very high0 Ų047 Ų470%027%0.273CS..Hα-helixtrans-50.5-30.9170.800000113.5R233 I236 L237 G242 G243R233-A245 WeakPolarHBondContact CD-O 3.35Å; R233-A245 PolarHBondContact NH1-O 2.88Å; I236-A245 HydrophobicContact CD1-CB 4Å; I236-A245 HydrophobicContact CG1-CB 3.7Å; L237-A245 HydrophobicContact CB-CB 3.97Å; G242-A245 VanDerWaalsContact O-CB 3.3Å; G242-A245 WeakPolarHBondContact O-CB 3.16Å; G242-A245 PolarHBondContact O-N 3.47Å; G243-A245 PolarHBondContact O-N 3Å; G243-A245 VanDerWaalsContact O-N 3.1Å
246F98.8Very high98.5Very high47 Ų4747 Ų4721%0.20627%0.273CS..Hα-helixtrans-117.3-14.4-179.6-66.1-84.4000113.9L230 R233 L234 L237 G243 S244 Y251 F253L230-F246 HydrophobicContact CD1-CE1 4.07Å; L230-F246 HydrophobicContact CD1-CZ 4.29Å; R233-F246 HydrophobicContact CB-CE1 4.13Å; R233-F246 HydrophobicContact CB-CE2 4.3Å; R233-F246 HydrophobicContact CB-CZ 3.79Å; L234-F246 HydrophobicContact CD2-CE2 4.48Å; L234-F246 HydrophobicContact CD2-CZ 4.06Å; L237-F246 HydrophobicContact CB-CE2 4.39Å; L237-F246 HydrophobicContact CD2-CE2 4.13Å; G243-F246 PolarHBondContact O-N 2.96Å; S244-F246 PolarHBondContact O-N 3.13Å; F246-Y251 WeakPolarHBondContact O-CA 3.37Å; F246-F253 HydrophobicContact CB-CD1 4.24Å; F246-F253 HydrophobicContact CB-CG 4.48Å; F246-F253 HydrophobicContact CD1-CB 4.04Å; F246-F253 HydrophobicContact CD1-CD1 4.25Å; F246-F253 AromaticContact CD1-CD2 3.68Å; F246-F253 HydrophobicContact CD1-CD2 3.68Å; F246-F253 HydrophobicContact CD1-CE2 4.19Å; F246-F253 AromaticContact CD1-CG 3.71Å; F246-F253 HydrophobicContact CD1-CG 3.71Å; F246-F253 HydrophobicContact CE1-CD2 4.19Å; F246-F253 WeakPolarHBondContact O-CD1 3.4Å
247T98.7Very high98.4Very high65 Ų6548.3 Ų48.340%0.39928%0.28SS..Hα-helixtrans-100.1-19.4178.167.30000113.9G243 S244 N250 Y251G243-T247 PolarHBondContact O-N 3.09Å; S244-T247 WeakPolarHBondContact CA-OG1 3.5Å; S244-T247 PolarHBondContact O-N 3.06Å; T247-N250 PolarHBondContact O-N 2.98Å; T247-Y251 HydrophobicContact CG2-CD1 4.24Å; T247-Y251 HydrophobicContact CG2-CE1 3.67Å; T247-Y251 PolarHBondContact O-N 3.35Å
248S98.4Very high98.4Very high28 Ų2849.2 Ų49.220%0.19629%0.285CS..Hα-helixtrans-56.2142.8178.9-177.10000112.1S244 N250 F252S244-S248 WeakPolarHBondContact O-CB 3.48Å; S244-S248 PolarHBondContact O-N 2.95Å; S248-N250 VanDerWaalsContact C-N 3.35Å; S248-F252 PolarHBondContact O-N 3.33Å
249G97.7Very high98.5Very high28 Ų2842.5 Ų42.529%0.28925%0.252SS..Hα-helixtrans66.734.3-179.900000113.3H167 F252H167-G249 PolarHBondContact CE1-O 3.45Å; H167-G249 PolarHBondContact NE2-O 3.06Å; G249-F252 PolarHBondContact O-N 3.29Å
250N98.1Very high98.5Very high125 Ų12541.3 Ų41.367%0.66824%0.244SC*.Hα-helixtrans57.951.7-175.5-168.427000112.5H167 T247 S248H167-N250 PolarHBondContact CE1-O 3.42Å; T247-N250 PolarHBondContact O-N 2.98Å; S248-N250 VanDerWaalsContact C-N 3.35Å
251Y98.4Very high98.5Very high131 Ų13141.4 Ų41.451%0.51423%0.227SC..Hα-helixtrans64.140.2-175.8-53.9-90.7000113.8F246 T247 F253 W254F246-Y251 WeakPolarHBondContact O-CA 3.37Å; T247-Y251 HydrophobicContact CG2-CD1 4.24Å; T247-Y251 HydrophobicContact CG2-CE1 3.67Å; T247-Y251 PolarHBondContact O-N 3.35Å; Y251-F253 HydrophobicContact CD1-CE1 4.37Å; Y251-F253 PolarHBondContact O-N 2.99Å; Y251-F253 VanDerWaalsContact O-N 3.07Å; Y251-W254 PolarHBondContact O-NE1 3.01Å
252F98.6Very high98.5Very high1 Ų144.5 Ų44.50%0.00424%0.244CC..G310 helixtrans-60.2-21.9-176.6176.7-107.5000114.8P163 C170 A220 S248 G249 W254 V255 P256P163-F252 HydrophobicContact CB-CD2 3.6Å; P163-F252 HydrophobicContact CB-CE2 3.75Å; P163-F252 HydrophobicContact CB-CG 4.1Å; P163-F252 HydrophobicContact CB-CZ 4.38Å; P163-F252 HydrophobicContact CG-CB 4.06Å; P163-F252 HydrophobicContact CG-CD1 4.5Å; P163-F252 HydrophobicContact CG-CD2 3.89Å; P163-F252 HydrophobicContact CG-CE2 4.45Å; P163-F252 HydrophobicContact CG-CG 3.9Å; C170-F252 HydrophobicContact CB-CE2 3.66Å; C170-F252 HydrophobicContact CB-CZ 4.28Å; A220-F252 HydrophobicContact CB-CZ 4.22Å; S248-F252 PolarHBondContact O-N 3.33Å; G249-F252 PolarHBondContact O-N 3.29Å; F252-W254 PolarHBondContact O-N 3.32Å; F252-V255 HydrophobicContact CD2-CB 4.01Å; F252-V255 HydrophobicContact CD2-CG2 3.92Å; F252-V255 HydrophobicContact CE2-CB 3.69Å; F252-V255 HydrophobicContact CE2-CG1 3.81Å; F252-V255 HydrophobicContact CE2-CG2 3.94Å; F252-V255 HydrophobicContact CZ-CB 4.11Å; F252-V255 HydrophobicContact CZ-CG1 4.11Å; F252-V255 WeakPolarHBondContact O-CB 3.49Å; F252-V255 PolarHBondContact O-N 2.9Å; F252-P256 HydrophobicContact CE1-CG 4.18Å; F252-P256 VanDerWaalsContact O-CD 3.3Å; F252-P256 WeakPolarHBondContact O-CD 3.48Å
253F98.5Very high98.6Very high62 Ų6243.3 Ų43.327%0.27223%0.232SC..G310 helixtrans-51.9-28-170.577.5-83.6000115.6F246 Y251 V255 P256 I257F246-F253 HydrophobicContact CB-CD1 4.24Å; F246-F253 HydrophobicContact CB-CG 4.48Å; F246-F253 HydrophobicContact CD1-CB 4.04Å; F246-F253 HydrophobicContact CD1-CD1 4.25Å; F246-F253 AromaticContact CD1-CD2 3.68Å; F246-F253 HydrophobicContact CD1-CD2 3.68Å; F246-F253 HydrophobicContact CD1-CE2 4.19Å; F246-F253 AromaticContact CD1-CG 3.71Å; F246-F253 HydrophobicContact CD1-CG 3.71Å; F246-F253 HydrophobicContact CE1-CD2 4.19Å; F246-F253 WeakPolarHBondContact O-CD1 3.4Å; Y251-F253 HydrophobicContact CD1-CE1 4.37Å; Y251-F253 PolarHBondContact O-N 2.99Å; Y251-F253 VanDerWaalsContact O-N 3.07Å; F253-V255 VanDerWaalsContact C-N 3.29Å; F253-V255 PolarHBondContact O-N 3.46Å; F253-P256 WeakPolarHBondContact O-CD 3.38Å; F253-P256 WeakPolarHBondContact O-CG 3.4Å; F253-I257 HydrophobicContact CD2-CD1 4.02Å; F253-I257 WeakPolarHBondContact O-CD1 3.34Å; F253-I257 WeakPolarHBondContact O-CG1 3.3Å
254W98.6Very high98.6Very high88 Ų8841 Ų4133%0.33321%0.207SC..G310 helixtrans-71.1-26-179.367.8-99000112.3H167 F171 Y251 F252 I257 L258H167-W254 HydrophobicContact CB-CZ2 4.25Å; H167-W254 AromaticContact ND1-CZ2 3.92Å; H167-W254 AromaticContact ND1-NE1 3.8Å; F171-W254 HydrophobicContact CB-CH2 4.46Å; F171-W254 HydrophobicContact CD2-CH2 4.22Å; F171-W254 AromaticContact CD2-CZ3 3.6Å; F171-W254 HydrophobicContact CD2-CZ3 3.6Å; F171-W254 HydrophobicContact CE2-CZ3 4.06Å; F171-W254 HydrophobicContact CG-CZ3 4.3Å; Y251-W254 PolarHBondContact O-NE1 3.01Å; F252-W254 PolarHBondContact O-N 3.32Å; W254-I257 PolarHBondContact O-N 2.99Å; W254-L258 HydrophobicContact CE3-CB 4.44Å; W254-L258 HydrophobicContact CE3-CD1 4.08Å; W254-L258 WeakPolarHBondContact O-CB 3.12Å; W254-L258 PolarHBondContact O-N 3.36Å
255V98.8Very high98.6Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-63.5-56.5-178.3175.90000112.1C170 F171 Q174 F252 F253 I257 G259 P260C170-V255 HydrophobicContact CB-CG1 3.93Å; F171-V255 HydrophobicContact CB-CG1 4.24Å; Q174-V255 HydrophobicContact CG-CG1 4.24Å; F252-V255 HydrophobicContact CD2-CB 4.01Å; F252-V255 HydrophobicContact CD2-CG2 3.92Å; F252-V255 HydrophobicContact CE2-CB 3.69Å; F252-V255 HydrophobicContact CE2-CG1 3.81Å; F252-V255 HydrophobicContact CE2-CG2 3.94Å; F252-V255 HydrophobicContact CZ-CB 4.11Å; F252-V255 HydrophobicContact CZ-CG1 4.11Å; F252-V255 WeakPolarHBondContact O-CB 3.49Å; F252-V255 PolarHBondContact O-N 2.9Å; F253-V255 VanDerWaalsContact C-N 3.29Å; F253-V255 PolarHBondContact O-N 3.46Å; V255-I257 PolarHBondContact O-N 3.45Å; V255-I257 VanDerWaalsContact O-N 3.1Å; V255-G259 WeakPolarHBondContact O-CA 3.49Å; V255-G259 PolarHBondContact O-N 3.33Å; V255-P260 WeakPolarHBondContact O-CD 3.2Å
256P98.5Very high98.7Very high0 Ų044 Ų440%022%0.221CC..Hα-helixtrans-70-1.217730.7-38.6000113.9A223 D229 F252 F253 P260A223-P256 HydrophobicContact CB-CB 3.45Å; A223-P256 VanDerWaalsContact CB-CB 3.45Å; D229-P256 HydrophobicContact CB-CB 3.92Å; D229-P256 HydrophobicContact CB-CG 4.17Å; D229-P256 VanDerWaalsContact CG-CG 3.42Å; D229-P256 WeakPolarHBondContact OD1-CG 3.47Å; F252-P256 HydrophobicContact CE1-CG 4.18Å; F252-P256 VanDerWaalsContact O-CD 3.3Å; F252-P256 WeakPolarHBondContact O-CD 3.48Å; F253-P256 WeakPolarHBondContact O-CD 3.38Å; F253-P256 WeakPolarHBondContact O-CG 3.4Å; P256-P260 WeakPolarHBondContact O-CD 3.21Å; P256-P260 VanDerWaalsContact O-CG 3.3Å; P256-P260 WeakPolarHBondContact O-CG 3.09Å
257I98.7Very high98.7Very high29 Ų2941.9 Ų41.915%0.14921%0.212CC..Hα-helixtrans-96.4-60.3171.4-62.8171.9000109.9L230 F253 W254 V255 Y261L230-I257 HydrophobicContact CB-CD1 4.38Å; L230-I257 HydrophobicContact CD1-CD1 4.11Å; F253-I257 HydrophobicContact CD2-CD1 4.02Å; F253-I257 WeakPolarHBondContact O-CD1 3.34Å; F253-I257 WeakPolarHBondContact O-CG1 3.3Å; W254-I257 PolarHBondContact O-N 2.99Å; V255-I257 PolarHBondContact O-N 3.45Å; V255-I257 VanDerWaalsContact O-N 3.1Å; I257-Y261 HydrophobicContact CG2-CE2 4.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.24Å
258L98.8Very high98.7Very high87 Ų8738.8 Ų38.846%0.45519%0.193SC..Hα-helixtrans-75.6-39.4-173.6-66.4-176.7000113F171 W254 Y261 I262F171-L258 HydrophobicContact CE2-CB 4.42Å; W254-L258 HydrophobicContact CE3-CB 4.44Å; W254-L258 HydrophobicContact CE3-CD1 4.08Å; W254-L258 WeakPolarHBondContact O-CB 3.12Å; W254-L258 PolarHBondContact O-N 3.36Å; L258-Y261 PolarHBondContact O-N 3.01Å; L258-I262 PolarHBondContact O-N 2.91Å; L258-I262 VanDerWaalsContact O-N 3.12Å
259G98.9Very high98.7Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-55.3-52.3179.500000111.9V255 Y261 I262 G263V255-G259 WeakPolarHBondContact O-CA 3.49Å; V255-G259 PolarHBondContact O-N 3.33Å; G259-Y261 PolarHBondContact O-N 3.41Å; G259-I262 PolarHBondContact O-N 3.02Å; G259-G263 PolarHBondContact O-N 3.06Å
260P98.9Very high98.8Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-59.7-41.6176.7-32.141000115A96 T178 P226 V255 P256 I262 G263 A264A96-P260 HydrophobicContact CB-CB 3.99Å; A96-P260 WeakPolarHBondContact CB-O 3.36Å; T178-P260 HydrophobicContact CG2-CB 3.92Å; T178-P260 WeakPolarHBondContact CG2-O 3.27Å; T178-P260 WeakPolarHBondContact OG1-CA 3.27Å; P226-P260 HydrophobicContact CG-CB 4.05Å; V255-P260 WeakPolarHBondContact O-CD 3.2Å; P256-P260 WeakPolarHBondContact O-CD 3.21Å; P256-P260 VanDerWaalsContact O-CG 3.3Å; P256-P260 WeakPolarHBondContact O-CG 3.09Å; P260-I262 PolarHBondContact O-N 3.41Å; P260-G263 PolarHBondContact O-N 3.45Å; P260-A264 VanDerWaalsContact O-CB 3.28Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 3.17Å
261Y98.9Very high98.8Very high57 Ų5738.2 Ų38.222%0.22418%0.18CC..Hα-helixtrans-59.1-48.6176.6-81.8-63.6000111.8P95 A96 L99 P226 I257 L258 G259 V265P95-Y261 HydrophobicContact CB-CE1 4.02Å; P95-Y261 WeakPolarHBondContact CB-OH 3.25Å; A96-Y261 HydrophobicContact CB-CD1 4.02Å; A96-Y261 HydrophobicContact CB-CE1 4.47Å; A96-Y261 HydrophobicContact CB-CG 4.4Å; L99-Y261 HydrophobicContact CB-CD1 4.23Å; L99-Y261 HydrophobicContact CB-CE1 4.21Å; L99-Y261 HydrophobicContact CD2-CD1 3.6Å; L99-Y261 HydrophobicContact CD2-CE1 4.01Å; P226-Y261 HydrophobicContact CB-CE2 3.92Å; P226-Y261 HydrophobicContact CG-CD2 3.86Å; P226-Y261 HydrophobicContact CG-CE1 4.42Å; P226-Y261 HydrophobicContact CG-CE2 3.61Å; P226-Y261 HydrophobicContact CG-CG 4.35Å; I257-Y261 HydrophobicContact CG2-CE2 4.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.24Å; L258-Y261 PolarHBondContact O-N 3.01Å; G259-Y261 PolarHBondContact O-N 3.41Å; Y261-V265 VanDerWaalsContact O-CG2 3.29Å; Y261-V265 WeakPolarHBondContact O-CG2 3.25Å; Y261-V265 PolarHBondContact O-N 3.42Å
262I98.9Very high98.7Very high76 Ų7633.1 Ų33.139%0.3916%0.161SC..Hα-helixtrans-64.8-46.7180-67.1167000110.3F171 V175 L258 G259 P260 V265 I266F171-I262 HydrophobicContact CE2-CD1 4.06Å; F171-I262 HydrophobicContact CZ-CD1 3.62Å; V175-I262 HydrophobicContact CG1-CG2 4.36Å; V175-I262 HydrophobicContact CG2-CB 4.25Å; V175-I262 HydrophobicContact CG2-CG2 4.13Å; L258-I262 PolarHBondContact O-N 2.91Å; L258-I262 VanDerWaalsContact O-N 3.12Å; G259-I262 PolarHBondContact O-N 3.02Å; P260-I262 PolarHBondContact O-N 3.41Å; I262-V265 PolarHBondContact O-N 3.05Å; I262-I266 HydrophobicContact CG2-CD1 3.71Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 2.76Å
263G98.9Very high98.7Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-57.3-52.6177.900000112.7V175 A179 G259 P260 V265 I266 G267V175-G263 WeakPolarHBondContact O-CA 3.37Å; A179-G263 WeakPolarHBondContact CA-O 3.37Å; A179-G263 VanDerWaalsContact CB-O 3.27Å; A179-G263 WeakPolarHBondContact CB-O 3.4Å; A179-G263 PolarHBondContact N-O 3.33Å; G259-G263 PolarHBondContact O-N 3.06Å; P260-G263 PolarHBondContact O-N 3.45Å; G263-V265 VanDerWaalsContact C-N 3.3Å; G263-V265 PolarHBondContact O-N 3.42Å; G263-I266 PolarHBondContact O-N 3.42Å; G263-G267 PolarHBondContact O-N 3.29Å
264A99Very high98.7Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-57.9-42.3-178.400000112.3A96 A100 T178 A182 P260 G267 A268A96-A264 HydrophobicContact CB-CB 3.78Å; A96-A264 WeakPolarHBondContact O-CB 3.42Å; A100-A264 VanDerWaalsContact CB-C 3.42Å; A100-A264 HydrophobicContact CB-CB 3.72Å; A100-A264 VanDerWaalsContact CB-O 3.28Å; A100-A264 WeakPolarHBondContact CB-O 3.48Å; T178-A264 HydrophobicContact CG2-CB 3.89Å; A182-A264 HydrophobicContact CB-CB 4.01Å; A182-A264 VanDerWaalsContact CB-O 3.27Å; A182-A264 WeakPolarHBondContact CB-O 3.32Å; P260-A264 VanDerWaalsContact O-CB 3.28Å; P260-A264 WeakPolarHBondContact O-CB 3.42Å; P260-A264 PolarHBondContact O-N 3.17Å; A264-G267 PolarHBondContact O-N 2.61Å; A264-A268 WeakPolarHBondContact O-CB 3.34Å; A264-A268 PolarHBondContact O-N 3.35Å
265V98.9Very high98.7Very high31 Ų3139 Ų3919%0.18820%0.203CC..Hα-helixtrans-65.1-46.5178.5174.60000111.1A100 I103 Y261 I262 G263 G267 A268 I269A100-V265 HydrophobicContact CB-CG2 4.21Å; I103-V265 HydrophobicContact CD1-CG1 4.01Å; I103-V265 HydrophobicContact CD1-CG2 3.66Å; Y261-V265 VanDerWaalsContact O-CG2 3.29Å; Y261-V265 WeakPolarHBondContact O-CG2 3.25Å; Y261-V265 PolarHBondContact O-N 3.42Å; I262-V265 PolarHBondContact O-N 3.05Å; G263-V265 VanDerWaalsContact C-N 3.3Å; G263-V265 PolarHBondContact O-N 3.42Å; V265-G267 PolarHBondContact O-N 2.76Å; V265-A268 PolarHBondContact O-N 2.81Å; V265-I269 HydrophobicContact CG1-CD1 3.77Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 3.2Å
266I98.9Very high98.5Very high70 Ų7039 Ų3936%0.35920%0.203SC..Hα-helixtrans-58.4-49.1175.6-69.8169.9000110.3V175 A179 I262 G263 A268 I269 L270V175-I266 HydrophobicContact CG1-CD1 4.13Å; A179-I266 HydrophobicContact CB-CG2 4.49Å; I262-I266 HydrophobicContact CG2-CD1 3.71Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 WeakPolarHBondContact O-CG1 3.46Å; I262-I266 PolarHBondContact O-N 2.76Å; G263-I266 PolarHBondContact O-N 3.42Å; I266-A268 PolarHBondContact O-N 3.38Å; I266-I269 PolarHBondContact O-N 3.04Å; I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.16Å; I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.45Å; I266-L270 PolarHBondContact O-N 3.28Å
267G98.9Very high98.3Very high2 Ų243.7 Ų43.72%0.02123%0.227CC..Hα-helixtrans-59.8-44.1-179.900000113.2A179 G263 A264 V265 L270 Y271A179-G267 VanDerWaalsContact O-CA 3.32Å; A179-G267 WeakPolarHBondContact O-CA 3.31Å; G263-G267 PolarHBondContact O-N 3.29Å; A264-G267 PolarHBondContact O-N 2.61Å; V265-G267 PolarHBondContact O-N 2.76Å; G267-L270 PolarHBondContact O-N 2.77Å; G267-Y271 WeakPolarHBondContact O-CB 3.44Å; G267-Y271 PolarHBondContact O-N 2.74Å
268A98.9Very high98.2Very high0 Ų048.6 Ų48.60%025%0.25CC..Hα-helixtrans-64.5-44.2178.200000112.6A100 I104 L186 A264 V265 I266 E272A100-A268 HydrophobicContact CB-CB 3.88Å; I104-A268 HydrophobicContact CD1-CB 4.2Å; I104-A268 HydrophobicContact CG2-CB 4.01Å; L186-A268 HydrophobicContact CD1-CB 3.82Å; A264-A268 WeakPolarHBondContact O-CB 3.34Å; A264-A268 PolarHBondContact O-N 3.35Å; V265-A268 PolarHBondContact O-N 2.81Å; I266-A268 PolarHBondContact O-N 3.38Å; A268-E272 PolarHBondContact O-N 2.95Å; A268-E272 VanDerWaalsContact O-N 3.13Å
269I98.9Very high97.9Very high70 Ų7046.5 Ų46.536%0.35924%0.239SC..Hα-helixtrans-64.7-47.7176.8-69170.1000110.6I104 V265 I266 Y271 E272 L273I104-I269 HydrophobicContact CG2-CG1 4.29Å; V265-I269 HydrophobicContact CG1-CD1 3.77Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 3.2Å; I266-I269 PolarHBondContact O-N 3.04Å; I269-Y271 VanDerWaalsContact C-N 3.33Å; I269-Y271 PolarHBondContact O-N 2.63Å; I269-E272 PolarHBondContact O-N 2.98Å; I269-L273 HydrophobicContact CG2-CD1 3.71Å; I269-L273 HydrophobicContact CG2-CG 4.18Å; I269-L273 WeakPolarHBondContact O-CB 3.33Å; I269-L273 WeakPolarHBondContact O-CG 3.37Å; I269-L273 PolarHBondContact O-N 2.98Å
270L98.8Very high97.3Very high90 Ų9052.9 Ų52.947%0.47127%0.273SS..Hα-helixtrans-61.4-41.6179.3-73.3177.4000111.7I266 G267 L273 T274I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.16Å; I266-L270 WeakPolarHBondContact O-CB 3.46Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.45Å; I266-L270 PolarHBondContact O-N 3.28Å; G267-L270 PolarHBondContact O-N 2.77Å; L270-L273 PolarHBondContact O-N 3.4Å; L270-T274 WeakPolarHBondContact O-CB 3.34Å; L270-T274 WeakPolarHBondContact O-CG2 3.42Å; L270-T274 PolarHBondContact O-N 3.44Å; L270-T274 PolarHBondContact O-OG1 2.85Å
271Y98.7Very high96.5Very high9 Ų959.1 Ų59.14%0.03530%0.296CS..Hα-helixtrans-58.3-50.5174.6172.9-90.5000111.5L186 A187 D190 G267 I269 L273 T274 I275 G276L186-Y271 HydrophobicContact CB-CD1 3.46Å; L186-Y271 VanDerWaalsContact CB-CD1 3.46Å; L186-Y271 HydrophobicContact CB-CD2 4.07Å; L186-Y271 HydrophobicContact CB-CE1 3.67Å; L186-Y271 HydrophobicContact CB-CE2 4.25Å; L186-Y271 HydrophobicContact CB-CG 3.67Å; L186-Y271 HydrophobicContact CD1-CD1 3.72Å; L186-Y271 HydrophobicContact CD1-CG 4.01Å; L186-Y271 HydrophobicContact CG-CD1 4.13Å; L186-Y271 HydrophobicContact CG-CG 4.5Å; A187-Y271 VanDerWaalsContact CA-CE2 3.46Å; A187-Y271 HydrophobicContact CB-CD2 4.19Å; A187-Y271 HydrophobicContact CB-CE2 3.67Å; D190-Y271 WeakPolarHBondContact CB-OH 3.17Å; D190-Y271 PolarHBondContact OD2-OH 3.26Å; G267-Y271 WeakPolarHBondContact O-CB 3.44Å; G267-Y271 PolarHBondContact O-N 2.74Å; I269-Y271 VanDerWaalsContact C-N 3.33Å; I269-Y271 PolarHBondContact O-N 2.63Å; Y271-L273 PolarHBondContact O-N 3.28Å; Y271-T274 PolarHBondContact O-N 3.5Å; Y271-I275 HydrophobicContact CD2-CB 4.17Å; Y271-I275 HydrophobicContact CD2-CD1 4.11Å; Y271-I275 HydrophobicContact CE2-CB 3.91Å; Y271-I275 HydrophobicContact CE2-CD1 4.16Å; Y271-I275 HydrophobicContact CE2-CG2 3.79Å; Y271-I275 CarbonylContact O-C 3.37Å; Y271-I275 WeakPolarHBondContact O-CA 3.33Å; Y271-I275 PolarHBondContact O-N 3.38Å; Y271-G276 PolarHBondContact O-N 3.1Å
272E97.5Very high94.8Very high24 Ų2465 Ų6511%0.11232%0.323CS..Iπ-helixtrans-61.2-46.3179.7-73-65.5145.700111I104 K106 A268 I269 T274 G276 I277 R281I104-E272 HydrophobicContact CB-CG 4.37Å; I104-E272 HydrophobicContact CD1-CG 3.95Å; I104-E272 HydrophobicContact CG2-CG 4.43Å; K106-E272 WeakPolarHBondContact CE-OE1 3.38Å; K106-E272 IonicContact NZ-OE1 3.9Å; K106-E272 PolarHBondContact NZ-OE1 3.41Å; A268-E272 PolarHBondContact O-N 2.95Å; A268-E272 VanDerWaalsContact O-N 3.13Å; I269-E272 PolarHBondContact O-N 2.98Å; E272-T274 PolarHBondContact O-N 3.38Å; E272-G276 PolarHBondContact O-N 3.42Å; E272-I277 VanDerWaalsContact O-CG1 3.27Å; E272-I277 WeakPolarHBondContact O-CG1 3.41Å; E272-I277 WeakPolarHBondContact O-CG2 3.37Å; E272-I277 PolarHBondContact O-N 3.1Å; E272-R281 IonicContact OE2-NH2 3.42Å; E272-R281 PolarHBondContact OE2-NH2 3.1Å
273L98.2Very high92.7Very high103 Ų10365 Ų6554%0.53933%0.33SS..Iπ-helixtrans-66.4-31.8-178.1-69.8179.1000114.3I269 L270 Y271 H278I269-L273 HydrophobicContact CG2-CD1 3.71Å; I269-L273 HydrophobicContact CG2-CG 4.18Å; I269-L273 WeakPolarHBondContact O-CB 3.33Å; I269-L273 WeakPolarHBondContact O-CG 3.37Å; I269-L273 PolarHBondContact O-N 2.98Å; L270-L273 PolarHBondContact O-N 3.4Å; Y271-L273 PolarHBondContact O-N 3.28Å; L273-H278 PolarHBondContact O-NE2 3.32Å
274T98.2Very high90.5Very high91 Ų9170.9 Ų70.956%0.55836%0.36SS*.Iπ-helixtrans-101.8-25.5-173.859.20000113.7L270 Y271 E272 H278L270-T274 WeakPolarHBondContact O-CB 3.34Å; L270-T274 WeakPolarHBondContact O-CG2 3.42Å; L270-T274 PolarHBondContact O-N 3.44Å; L270-T274 PolarHBondContact O-OG1 2.85Å; Y271-T274 PolarHBondContact O-N 3.5Å; E272-T274 PolarHBondContact O-N 3.38Å; T274-H278 PolarHBondContact O-CD2 2.57Å
275I97.6Very high88.1Confident79 Ų7976.6 Ų76.641%0.40540%0.4SS..Iπ-helixtrans-131.5-58.9-174.9-58.7172.8000110.2Y271 I277 H278 L279Y271-I275 HydrophobicContact CD2-CB 4.17Å; Y271-I275 HydrophobicContact CD2-CD1 4.11Å; Y271-I275 HydrophobicContact CE2-CB 3.91Å; Y271-I275 HydrophobicContact CE2-CD1 4.16Å; Y271-I275 HydrophobicContact CE2-CG2 3.79Å; Y271-I275 CarbonylContact O-C 3.37Å; Y271-I275 WeakPolarHBondContact O-CA 3.33Å; Y271-I275 PolarHBondContact O-N 3.38Å; I275-I277 PolarHBondContact O-N 3.5Å; I275-H278 WeakPolarHBondContact O-CA 3.46Å; I275-H278 PolarHBondContact O-N 3.44Å; I275-L279 HydrophobicContact CG2-CD1 4.22Å; I275-L279 HydrophobicContact CG2-CD2 4.4Å; I275-L279 HydrophobicContact CG2-CG 4.29Å; I275-L279 PolarHBondContact O-N 3.37Å
276G94.8Very high85.4Confident0 Ų079.1 Ų79.10%042%0.419CS..Iπ-helixtrans-60.6-36.1-164.700000115.8Y271 E272 H278 R281Y271-G276 PolarHBondContact O-N 3.1Å; E272-G276 PolarHBondContact O-N 3.42Å; G276-H278 VanDerWaalsContact C-N 3.31Å; G276-R281 PolarHBondContact O-NH2 3.02Å
277I94.9Very high82.4Confident99 Ų9980.5 Ų80.551%0.50844%0.435SS..THydrogen-bonded Turntrans-79.1-14.5176.269.1-176.3000113.3E272 I275E272-I277 VanDerWaalsContact O-CG1 3.27Å; E272-I277 WeakPolarHBondContact O-CG1 3.41Å; E272-I277 WeakPolarHBondContact O-CG2 3.37Å; E272-I277 PolarHBondContact O-N 3.1Å; I275-I277 PolarHBondContact O-N 3.5Å
278H95.6Very high79.6Confident133 Ų13385.5 Ų85.562%0.61647%0.467SS*.THydrogen-bonded Turntrans-97-5.8-178.4-59.4-59.9000113.3L273 T274 I275 G276L273-H278 PolarHBondContact O-NE2 3.32Å; T274-H278 PolarHBondContact O-CD2 2.57Å; I275-H278 WeakPolarHBondContact O-CA 3.46Å; I275-H278 PolarHBondContact O-N 3.44Å; G276-H278 VanDerWaalsContact C-N 3.31Å
279L94Very high76.9Confident43 Ų4389.8 Ų89.823%0.22550%0.502CS..SBendtrans-77.1140175.3-63.6172.9000111.6N192 I275 R281N192-L279 HydrophobicContact CB-CB 3.74Å; N192-L279 HydrophobicContact CB-CD1 4.17Å; I275-L279 HydrophobicContact CG2-CD1 4.22Å; I275-L279 HydrophobicContact CG2-CD2 4.4Å; I275-L279 HydrophobicContact CG2-CG 4.29Å; I275-L279 PolarHBondContact O-N 3.37Å; L279-R281 PolarHBondContact O-N 3.27Å
280D86.4Confident74Confident134 Ų13494.4 Ų94.472%0.71752%0.522SS*.  trans-65.8102179.8-81.1-35.5000112.3K282D280-K282 VanDerWaalsContact C-N 3.29Å; D280-K282 PolarHBondContact O-N 2.63Å
281R81.8Confident70.8Confident131 Ų13196.5 Ų96.549%0.49454%0.539SS..  trans-83.66178.5-72.7178.4-174-162.13.5114.8E272 G276 L279 S283E272-R281 IonicContact OE2-NH2 3.42Å; E272-R281 PolarHBondContact OE2-NH2 3.1Å; G276-R281 PolarHBondContact O-NH2 3.02Å; L279-R281 PolarHBondContact O-N 3.27Å; R281-S283 PolarHBondContact O-N 2.97Å
282K63.7Low67.8Low179 Ų179101.4 Ų101.478%0.77857%0.57SS**THydrogen-bonded Turntrans-67.4-7.7-168.3-75.6-177179.2173.40115.5D280D280-K282 VanDerWaalsContact C-N 3.29Å; D280-K282 PolarHBondContact O-N 2.63Å
283S54.5Low64.6Low77 Ų77106.1 Ų106.154%0.53860%0.6SS.*THydrogen-bonded Turntrans-94.64.4-170.170.60000116.9R281R281-S283 PolarHBondContact O-N 2.97Å
284I52.8Low61.5Low123 Ų123107.4 Ų107.463%0.63162%0.615SS**SBendtrans-105.8-22.8-175.8-57179.1000113.3S286I284-S286 PolarHBondContact O-N 3.31Å
285S48.2Very low58.3Low120 Ų120108.8 Ų108.884%0.83963%0.629SS**THydrogen-bonded Turntrans-82.7-7.7-178.757.80000115
286S41.9Very low55.1Low84 Ų84108.3 Ų108.359%0.58764%0.643SS**THydrogen-bonded Turntrans-115.912.7-170.7640000116I284 P288I284-S286 PolarHBondContact O-N 3.31Å; S286-P288 WeakPolarHBondContact O-CD 3.27Å
287S37.1Very low51.9Low100 Ų100117.3 Ų117.370%0.69969%0.685SS**  trans-70.6104.4169.7-149.50000108
288P39.3Very low48.9Very low107 Ų107121.5 Ų121.570%0.69570%0.702SS**  trans-66.2141.2-174-10.427.9000107.5S286 Q290S286-P288 WeakPolarHBondContact O-CD 3.27Å; P288-Q290 PolarHBondContact O-N 3.19Å
289A42.3Very low45.6Very low89 Ų89125.8 Ų125.874%0.73671%0.713SS**  trans-39.2106.2171.700000109.3T291A289-T291 VanDerWaalsContact C-N 3.3Å; A289-T291 PolarHBondContact O-N 2.93Å; A289-T291 PolarHBondContact O-OG1 3.38Å
290Q37.9Very low42.5Very low167 Ų167132.3 Ų132.378%0.7874%0.74SS**  trans-56.6104.5174.7-82-178.9-4.800105.8P288 T292P288-Q290 PolarHBondContact O-N 3.19Å; Q290-T292 HydrophobicContact CB-CG2 4.45Å; Q290-T292 PolarHBondContact O-N 3.27Å
291T32.4Very low39.7Very low135 Ų135132.8 Ų132.883%0.82874%0.743SS**  trans-74.477.4175.6-10.60000104.7A289 T293A289-T291 VanDerWaalsContact C-N 3.3Å; A289-T291 PolarHBondContact O-N 2.93Å; A289-T291 PolarHBondContact O-OG1 3.38Å; T291-T293 VanDerWaalsContact C-N 3.3Å; T291-T293 PolarHBondContact O-N 3.18Å
292T34.9Very low37.4Very low112 Ų112133.3 Ų133.369%0.68775%0.754SS**  trans-70.696169.653.80000106.4Q290 P294Q290-T292 HydrophobicContact CB-CG2 4.45Å; Q290-T292 PolarHBondContact O-N 3.27Å; T292-P294 VanDerWaalsContact O-CD 3.31Å; T292-P294 WeakPolarHBondContact O-CD 3.35Å
293T29.4Very low36Very low122 Ų122131.8 Ų131.875%0.74876%0.755SS**  trans-55.6117.4163.6460000108.3T291 S295T291-T293 VanDerWaalsContact C-N 3.3Å; T291-T293 PolarHBondContact O-N 3.18Å; T293-S295 PolarHBondContact O-N 2.81Å; T293-S295 VanDerWaalsContact O-N 3.11Å
294P34.4Very low34.9Very low131 Ų131133.3 Ų133.385%0.85177%0.765SS**  trans-78.898.6176.60.316.7000108.5T292T292-P294 VanDerWaalsContact O-CD 3.31Å; T292-P294 WeakPolarHBondContact O-CD 3.35Å
295S31.3Very low33.8Very low120 Ų120133.7 Ų133.784%0.83978%0.776SS**  trans-76.5116.7160.654.40000108.4T293T293-S295 PolarHBondContact O-N 2.81Å; T293-S295 VanDerWaalsContact O-N 3.11Å
296G30.5Very low33Very low68 Ų68131.4 Ų131.470%0.70177%0.771SS**  trans137.573.2169.400000113.9Q298G296-Q298 PolarHBondContact O-N 3.24Å
297E27.8Very low32.6Very low189 Ų189137 Ų13788%0.88379%0.785SS**  10.4106.9129.9-105171.7161.100116.2
298Q31.6Very low32.2Very low188 Ų188138.2 Ų138.288%0.87979%0.793SS**  trans-147.994.6137-107.4174.12.500107.8G296 F300G296-Q298 PolarHBondContact O-N 3.24Å; Q298-F300 PolarHBondContact O-N 3Å; Q298-F300 VanDerWaalsContact O-N 3.16Å
299R25Very low31.9Very low222 Ų222136.7 Ų136.784%0.83880%0.798SS**  trans-51.6113.2162.1-92175.9169.1158.5-4108.1
300F29.4Very low31.3Very low181 Ų181137.2 Ų137.279%0.79480%0.796SS**  trans-122.586.4158.8-131.2-92.4000106.1Q298 L302Q298-F300 PolarHBondContact O-N 3Å; Q298-F300 VanDerWaalsContact O-N 3.16Å; F300-L302 HydrophobicContact CD1-CD1 4.08Å; F300-L302 HydrophobicContact CD1-CG 4.09Å; F300-L302 HydrophobicContact CE1-CD1 4.31Å; F300-L302 HydrophobicContact CE1-CG 4.46Å; F300-L302 PolarHBondContact O-N 2.99Å; F300-L302 VanDerWaalsContact O-N 3.16Å
301D27.1Very low31Very low144 Ų144137.3 Ų137.377%0.7780%0.796SS**  trans-65.4105.6168.3-77.1-44000107.6
302L34.1Very low31Very low141 Ų141138.1 Ų138.174%0.73879%0.794SS**  trans-121.6105.8160-76.3175000108F300F300-L302 HydrophobicContact CD1-CD1 4.08Å; F300-L302 HydrophobicContact CD1-CG 4.09Å; F300-L302 HydrophobicContact CE1-CD1 4.31Å; F300-L302 HydrophobicContact CE1-CG 4.46Å; F300-L302 PolarHBondContact O-N 2.99Å; F300-L302 VanDerWaalsContact O-N 3.16Å
303D34Very low30.9Very low147 Ų147140.5 Ų140.579%0.78680%0.802SS**  trans-5119.9158.4-69-46.8000118.4
304S31.6Very low30.8Very low109 Ų109140 Ų14076%0.76280%0.799SS**  73.8143.7128.4-65.30000121.3
305P28.9Very low30.5Very low132 Ų132145.6 Ų145.686%0.85780%0.803SS**  trans-95119.2-155.826.5-12000112.5
306G32.4Very low30.5Very low72 Ų72143.3 Ų143.374%0.74280%0.798SS**  trans-114.195.417500000112.5
307K33.2Very low30.6Very low202 Ų202152.1 Ų152.188%0.87883%0.828SS**  trans54.3105.4146.5-64.2-178.5178.1178.60119G309K307-G309 PolarHBondContact O-N 3.36Å
308S29.5Very low30.8Very low124 Ų124150.3 Ų150.387%0.86783%0.826SS**  trans-3.4109132.1179.70000115.6
309G32.7Very low30.7Very low76 Ų76148.3 Ų148.378%0.78482%0.823SS**  trans-139.78016800000109.5K307 H311K307-G309 PolarHBondContact O-N 3.36Å; G309-H311 PolarHBondContact O-N 3.44Å
310S29.6Very low31Very low100 Ų100144.2 Ų144.270%0.69982%0.822SS**  trans-61.3116.916552.70000109.4
311H32.2Very low31.1Very low169 Ų169142.1 Ų142.178%0.78282%0.824SS**  trans-14295.2153.1-116.1-73.4000110.2G309 L313G309-H311 PolarHBondContact O-N 3.44Å; H311-L313 PolarHBondContact O-N 3.45Å
312L30.9Very low31.4Very low151 Ų151141.9 Ų141.979%0.79183%0.827SS**  trans-48.1115.1152.7-80.9140000109.2
313L32.9Very low31.2Very low162 Ų162142 Ų14285%0.84883%0.833SS**  trans-130.174.4156.9-76176000108.6H311H311-L313 PolarHBondContact O-N 3.45Å
314T28.5Very low31Very low112 Ų112141.6 Ų141.669%0.68784%0.836SS**  trans-72.6120.9147.639.40000108.8
315R27.8Very low31Very low248 Ų248144.2 Ų144.294%0.93684%0.842SS**  trans153.1130135.5-86.5176178-158.4-0.4111.8
316G30.6Very low31.1Very low72 Ų72145.2 Ų145.274%0.74284%0.841SS**  trans98.885147.700000115.4
317L33.4Very low31Very low254 Ų254151.8 Ų151.8100%1.3385%0.849SS**  167.30123.9-85.2166.4000110.2

Retrieved 317 of 317 residues in 878.4 ms (Link to these results)

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