A0A077ZE16_TRITR Loading...

Cyclin N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 280 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
1M52.2Low77.6Confident131 Ų13187.8 Ų87.865%0.64543%0.43SS*.  0142.70-80.6178.7113.200108.6T3M1-T3 PolarHBondContact O-N 3.47Å
2D70.5Confident78.5Confident95 Ų9585.1 Ų85.151%0.50843%0.426SS..  trans-63.7132.3171.5-58.5-37.5000109.8K4 R5 S6D2-K4 PolarHBondContact O-N 3.14Å; D2-R5 HydrophobicContact CB-CB 4.39Å; D2-R5 HydrophobicContact CB-CG 4.08Å; D2-R5 WeakPolarHBondContact O-CB 3.4Å; D2-R5 PolarHBondContact O-N 2.72Å; D2-R5 IonicContact OD2-CZ 3.72Å; D2-R5 IonicContact OD2-NE 3.97Å; D2-R5 PolarHBondContact OD2-NE 3.19Å; D2-R5 IonicContact OD2-NH2 2.7Å; D2-S6 PolarHBondContact O-N 2.96Å; D2-S6 VanDerWaalsContact O-N 3.08Å
3T71.5Confident79.3Confident103 Ų10378.5 Ų78.563%0.63239%0.393SS*.Hα-helixtrans-52-34.1177.749.40000112.8M1 S6 G7M1-T3 PolarHBondContact O-N 3.47Å; T3-S6 PolarHBondContact O-N 3.35Å; T3-G7 PolarHBondContact O-N 3.46Å
4K76.7Confident80.1Confident163 Ų16375.2 Ų75.271%0.70938%0.377SS*.Hα-helixtrans-64.7-41.7175.1-170.5177.2-179179.80112.9D2 G7 Q8D2-K4 PolarHBondContact O-N 3.14Å; K4-G7 PolarHBondContact O-N 3.27Å; K4-Q8 WeakPolarHBondContact O-CG 3.5Å; K4-Q8 PolarHBondContact O-N 3.32Å; K4-Q8 VanDerWaalsContact O-N 3.09Å
5R79.4Confident80.7Confident159 Ų15983.7 Ų83.760%0.640%0.403SS*.Hα-helixtrans-67.6-44177.1-68.2-179.4-167.9-149-4.5110.4D2 G7 Q8 A9D2-R5 HydrophobicContact CB-CB 4.39Å; D2-R5 HydrophobicContact CB-CG 4.08Å; D2-R5 WeakPolarHBondContact O-CB 3.4Å; D2-R5 PolarHBondContact O-N 2.72Å; D2-R5 IonicContact OD2-CZ 3.72Å; D2-R5 IonicContact OD2-NE 3.97Å; D2-R5 PolarHBondContact OD2-NE 3.19Å; D2-R5 IonicContact OD2-NH2 2.7Å; R5-G7 VanDerWaalsContact C-N 3.31Å; R5-G7 PolarHBondContact O-N 3.06Å; R5-Q8 PolarHBondContact O-N 3.3Å; R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.04Å
6S75.2Confident81.2Confident0 Ų083.7 Ų83.70%040%0.398CS..Hα-helixtrans-62.7-37.8176.3-58.30000112D2 T3 A9 L10D2-S6 PolarHBondContact O-N 2.96Å; D2-S6 VanDerWaalsContact O-N 3.08Å; T3-S6 PolarHBondContact O-N 3.35Å; S6-A9 PolarHBondContact O-N 3.07Å; S6-L10 WeakPolarHBondContact O-CB 3.07Å; S6-L10 PolarHBondContact O-N 2.93Å
7G80.7Confident81.8Confident17 Ų1778.9 Ų78.918%0.17538%0.375CS..Hα-helixtrans-62.5-44.817300000113.1T3 K4 R5 L10 F11T3-G7 PolarHBondContact O-N 3.46Å; K4-G7 PolarHBondContact O-N 3.27Å; R5-G7 VanDerWaalsContact C-N 3.31Å; R5-G7 PolarHBondContact O-N 3.06Å; G7-L10 WeakPolarHBondContact O-CB 3.47Å; G7-L10 PolarHBondContact O-N 3.2Å; G7-F11 WeakPolarHBondContact O-CD2 3.35Å; G7-F11 PolarHBondContact O-N 2.93Å
8Q86Confident82.1Confident122 Ų12278 Ų7857%0.5737%0.37SS*.Hα-helixtrans-62.5-42.9174.8-72.6175.7-2900112.1K4 R5 L10 F11 S12K4-Q8 WeakPolarHBondContact O-CG 3.5Å; K4-Q8 PolarHBondContact O-N 3.32Å; K4-Q8 VanDerWaalsContact O-N 3.09Å; R5-Q8 PolarHBondContact O-N 3.3Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 3.45Å; Q8-F11 PolarHBondContact O-N 3.05Å; Q8-S12 PolarHBondContact O-N 3.42Å
9A86.7Confident82.5Confident29 Ų2976.7 Ų76.724%0.2437%0.374CS..Hα-helixtrans-61.3-40.4175.900000111.4R5 S6 S12 A13 L138R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.04Å; S6-A9 PolarHBondContact O-N 3.07Å; A9-S12 PolarHBondContact O-N 3.42Å; A9-S12 PolarHBondContact O-OG 3.3Å; A9-A13 WeakPolarHBondContact O-CB 3.28Å; A9-A13 PolarHBondContact O-N 3.18Å; A9-L138 HydrophobicContact CB-CD2 3.58Å
10L87.3Confident82.8Confident8 Ų873.4 Ų73.44%0.04236%0.358CS..Hα-helixtrans-61.9-47.6174-177.668.8000112.9S6 G7 Q8 S12 A13 L14 F135 L138 M142 I206 L207S6-L10 WeakPolarHBondContact O-CB 3.07Å; S6-L10 PolarHBondContact O-N 2.93Å; G7-L10 WeakPolarHBondContact O-CB 3.47Å; G7-L10 PolarHBondContact O-N 3.2Å; Q8-L10 VanDerWaalsContact C-N 3.31Å; Q8-L10 PolarHBondContact O-N 3.45Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 2.68Å; L10-A13 WeakPolarHBondContact O-CB 3.16Å; L10-A13 PolarHBondContact O-N 3.23Å; L10-A13 VanDerWaalsContact O-N 3.09Å; L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 3.04Å; L10-F135 HydrophobicContact CD1-CD1 3.79Å; L10-F135 HydrophobicContact CD1-CE1 4.07Å; L10-L138 HydrophobicContact CD1-CB 4.37Å; L10-L138 HydrophobicContact CD1-CD1 4.35Å; L10-M142 HydrophobicContact CD2-CE 3.83Å; L10-M142 HydrophobicContact CD2-SD 4.38Å; L10-I206 HydrophobicContact CD2-CG2 3.27Å; L10-L207 HydrophobicContact CD1-CD2 4.11Å
11F87.4Confident82.9Confident139 Ų13970.6 Ų70.661%0.6134%0.344SS*.Hα-helixtrans-61-37.2176.2-75.2-65.2000112.2G7 Q8 A13 R15G7-F11 WeakPolarHBondContact O-CD2 3.35Å; G7-F11 PolarHBondContact O-N 2.93Å; Q8-F11 PolarHBondContact O-N 3.05Å; F11-A13 VanDerWaalsContact C-N 3.35Å; F11-R15 WeakPolarHBondContact O-CG 3.25Å; F11-R15 PolarHBondContact O-N 3.1Å; F11-R15 VanDerWaalsContact O-N 3.12Å
12S88.7Confident84.5Confident55 Ų5570.2 Ų70.239%0.38534%0.34SS..Hα-helixtrans-65.1-39.2174.381.60000111.9Q8 A9 L10 R15 R16Q8-S12 PolarHBondContact O-N 3.42Å; A9-S12 PolarHBondContact O-N 3.42Å; A9-S12 PolarHBondContact O-OG 3.3Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 2.68Å; S12-R15 PolarHBondContact O-N 2.83Å; S12-R16 WeakPolarHBondContact O-CG 3.35Å; S12-R16 PolarHBondContact O-N 3.3Å
13A89.3Confident85.2Confident0 Ų067.6 Ų67.60%033%0.332CS..Hα-helixtrans-67.4-41.9177.500000111.7A9 L10 F11 R15 R16 E17 V130 T134 F135 L138A9-A13 WeakPolarHBondContact O-CB 3.28Å; A9-A13 PolarHBondContact O-N 3.18Å; L10-A13 WeakPolarHBondContact O-CB 3.16Å; L10-A13 PolarHBondContact O-N 3.23Å; L10-A13 VanDerWaalsContact O-N 3.09Å; F11-A13 VanDerWaalsContact C-N 3.35Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 2.86Å; A13-R16 PolarHBondContact O-N 3.4Å; A13-E17 WeakPolarHBondContact O-CB 3.29Å; A13-E17 PolarHBondContact O-N 3.04Å; A13-V130 HydrophobicContact CB-CG1 4.14Å; A13-T134 HydrophobicContact CB-CG2 4.48Å; A13-F135 HydrophobicContact CB-CE1 3.86Å; A13-F135 HydrophobicContact CB-CZ 4.06Å; A13-L138 HydrophobicContact CB-CD1 3.69Å
14L89.3Confident85.7Confident32 Ų3263 Ų6317%0.16830%0.303CS..Hα-helixtrans-62.6-36.8175.1-71.8171.3000112.6L10 E17 Q18 F135L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 3.04Å; L14-E17 WeakPolarHBondContact O-CB 3.49Å; L14-Q18 PolarHBondContact O-N 3.44Å; L14-F135 HydrophobicContact CD2-CE1 3.69Å; L14-F135 HydrophobicContact CD2-CZ 4.17Å; L14-F135 HydrophobicContact CG-CE1 4.02Å
15R89Confident86Confident202 Ų20255.4 Ų55.476%0.76227%0.27SS*.Hα-helixtrans-67.6-43.4174.3-74.2-179.6177.2-168.3-1.2112.1F11 S12 A13 E17 Q18 A19F11-R15 WeakPolarHBondContact O-CG 3.25Å; F11-R15 PolarHBondContact O-N 3.1Å; F11-R15 VanDerWaalsContact O-N 3.12Å; S12-R15 PolarHBondContact O-N 2.83Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 2.86Å; R15-E17 VanDerWaalsContact C-N 3.32Å; R15-Q18 PolarHBondContact O-N 3.23Å; R15-A19 PolarHBondContact O-N 3.1Å; R15-A19 VanDerWaalsContact O-N 3.1Å
16R89.4Confident86.1Confident84 Ų8454 Ų5432%0.31727%0.27SS..Hα-helixtrans-63.6-40.3175.5-72.8-173.4-65.7137.2-6.7111.4S12 A13 Q18 A19 Q20 D128 V130S12-R16 WeakPolarHBondContact O-CG 3.35Å; S12-R16 PolarHBondContact O-N 3.3Å; A13-R16 PolarHBondContact O-N 3.4Å; R16-Q18 PolarHBondContact O-N 3.07Å; R16-A19 PolarHBondContact O-N 3.27Å; R16-Q20 VanDerWaalsContact O-CB 3.27Å; R16-Q20 WeakPolarHBondContact O-CB 3.22Å; R16-Q20 PolarHBondContact O-N 3.45Å; R16-D128 PolarHBondContact NH1-O 3.03Å; R16-V130 HydrophobicContact CB-CG1 3.81Å; R16-V130 VanDerWaalsContact CZ-CG1 3.43Å
17E90.9Very high86.6Confident2 Ų262.1 Ų62.11%0.00930%0.301CS..Hα-helixtrans-55.7-50.5172.6174.1172.4-102.500111.7A13 L14 R15 A19 Q20 W21 V130 F135 R174 P175 S176A13-E17 WeakPolarHBondContact O-CB 3.29Å; A13-E17 PolarHBondContact O-N 3.04Å; L14-E17 WeakPolarHBondContact O-CB 3.49Å; R15-E17 VanDerWaalsContact C-N 3.32Å; E17-A19 VanDerWaalsContact C-N 3.33Å; E17-A19 PolarHBondContact O-N 3.06Å; E17-Q20 PolarHBondContact O-N 2.9Å; E17-W21 VanDerWaalsContact O-CB 3.3Å; E17-W21 WeakPolarHBondContact O-CB 3.43Å; E17-W21 PolarHBondContact O-N 3.31Å; E17-V130 VanDerWaalsContact CA-CG2 3.43Å; E17-V130 HydrophobicContact CB-CG2 3.68Å; E17-V130 HydrophobicContact CG-CG2 4.5Å; E17-F135 HydrophobicContact CB-CE2 4.3Å; E17-F135 HydrophobicContact CB-CZ 3.93Å; E17-F135 HydrophobicContact CG-CZ 4.49Å; E17-F135 WeakPolarHBondContact OE1-CE2 3.2Å; E17-R174 HydrophobicContact CG-CB 4.33Å; E17-P175 WeakPolarHBondContact OE1-CB 3.33Å; E17-P175 WeakPolarHBondContact OE1-CD 3.3Å; E17-S176 WeakPolarHBondContact OE1-CB 3.48Å; E17-S176 PolarHBondContact OE1-N 3.16Å; E17-S176 PolarHBondContact OE1-OG 3.25Å; E17-S176 WeakPolarHBondContact OE2-CB 3.2Å; E17-S176 PolarHBondContact OE2-OG 2.67Å
18Q88.4Confident86.7Confident63 Ų6361.9 Ų61.929%0.29430%0.298SS..Hα-helixtrans-57.3-48.9179.4-177.668.747.300111L14 R15 R16 Q20 W21 E22 R174L14-Q18 PolarHBondContact O-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.23Å; R16-Q18 PolarHBondContact O-N 3.07Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 3.22Å; Q18-W21 PolarHBondContact O-N 3.34Å; Q18-E22 PolarHBondContact NE2-OE1 2.78Å; Q18-E22 WeakPolarHBondContact O-CG 3.17Å; Q18-E22 PolarHBondContact O-N 3.03Å; Q18-R174 VanDerWaalsContact CD-NH2 3.34Å
19A88.1Confident86.7Confident54 Ų5456.9 Ų56.945%0.44628%0.276SS..Hα-helixtrans-62.4-42.1179.500000111.8R15 R16 E17 W21 A23R15-A19 PolarHBondContact O-N 3.1Å; R15-A19 VanDerWaalsContact O-N 3.1Å; R16-A19 PolarHBondContact O-N 3.27Å; E17-A19 VanDerWaalsContact C-N 3.33Å; E17-A19 PolarHBondContact O-N 3.06Å; A19-W21 VanDerWaalsContact C-N 3.34Å; A19-W21 PolarHBondContact O-N 3.5Å; A19-A23 WeakPolarHBondContact O-CB 3.36Å; A19-A23 PolarHBondContact O-N 3.08Å
20Q89Confident86.8Confident9 Ų962.2 Ų62.24%0.04229%0.291CS..Hα-helixtrans-63.5-40.7177.7-165.9179.1-31.500111.8R16 E17 Q18 A23 W24 M25 M67 F129 V130R16-Q20 VanDerWaalsContact O-CB 3.27Å; R16-Q20 WeakPolarHBondContact O-CB 3.22Å; R16-Q20 PolarHBondContact O-N 3.45Å; E17-Q20 PolarHBondContact O-N 2.9Å; Q18-Q20 VanDerWaalsContact C-N 3.35Å; Q18-Q20 PolarHBondContact O-N 3.22Å; Q20-A23 PolarHBondContact O-N 2.78Å; Q20-W24 HydrophobicContact CG-CD2 4.48Å; Q20-W24 VanDerWaalsContact CG-CE2 3.44Å; Q20-W24 HydrophobicContact CG-CH2 4.29Å; Q20-W24 HydrophobicContact CG-CZ2 3.38Å; Q20-W24 PolarHBondContact O-N 2.92Å; Q20-W24 VanDerWaalsContact O-N 3.07Å; Q20-M25 HydrophobicContact CB-CE 4.21Å; Q20-M25 HydrophobicContact CG-CE 3.52Å; Q20-M25 PolarHBondContact O-N 2.84Å; Q20-M67 PolarHBondContact NE2-SD 2.81Å; Q20-F129 HydrophobicContact CG-CD1 3.97Å; Q20-F129 HydrophobicContact CG-CE1 4.47Å; Q20-V130 PolarHBondContact NE2-O 2.97Å; Q20-V130 PolarHBondContact OE1-O 3.34Å
21W84.7Confident86.8Confident16 Ų1671.7 Ų71.76%0.06133%0.331CS..Iπ-helixtrans-63.1-52.9179.5-167.5-92.8000111.9E17 Q18 A19 A23 M25 E26 L170 T171 Y173 R174E17-W21 VanDerWaalsContact O-CB 3.3Å; E17-W21 WeakPolarHBondContact O-CB 3.43Å; E17-W21 PolarHBondContact O-N 3.31Å; Q18-W21 PolarHBondContact O-N 3.34Å; A19-W21 VanDerWaalsContact C-N 3.34Å; A19-W21 PolarHBondContact O-N 3.5Å; W21-A23 VanDerWaalsContact C-N 3.3Å; W21-A23 PolarHBondContact O-N 3.29Å; W21-M25 HydrophobicContact CD2-CB 4.17Å; W21-M25 HydrophobicContact CD2-SD 4.37Å; W21-M25 HydrophobicContact CE3-CB 3.77Å; W21-M25 HydrophobicContact CE3-CG 4.11Å; W21-M25 HydrophobicContact CE3-SD 3.27Å; W21-M25 HydrophobicContact CZ3-CB 3.97Å; W21-M25 HydrophobicContact CZ3-CG 4.41Å; W21-M25 HydrophobicContact CZ3-SD 3.46Å; W21-M25 WeakPolarHBondContact CZ3-SD 3.32Å; W21-M25 PolarHBondContact O-N 3.43Å; W21-E26 HydrophobicContact CD2-CG 4.42Å; W21-E26 HydrophobicContact CG-CG 4.3Å; W21-E26 HydrophobicContact CZ2-CG 4.26Å; W21-E26 VanDerWaalsContact NE1-CD 3.28Å; W21-E26 PolarHBondContact NE1-OE1 3.23Å; W21-E26 PolarHBondContact O-N 3.4Å; W21-L170 WeakPolarHBondContact CH2-O 3.35Å; W21-L170 WeakPolarHBondContact CZ3-O 3.45Å; W21-T171 VanDerWaalsContact CH2-C 3.46Å; W21-T171 WeakPolarHBondContact CH2-O 3.18Å; W21-T171 WeakPolarHBondContact CZ2-O 3.24Å; W21-Y173 WeakPolarHBondContact CH2-O 3.34Å; W21-Y173 WeakPolarHBondContact CZ3-O 3.36Å; W21-R174 HydrophobicContact CD2-CG 3.84Å; W21-R174 HydrophobicContact CE3-CB 4.33Å; W21-R174 HydrophobicContact CE3-CG 3.75Å; W21-R174 HydrophobicContact CG-CG 4.37Å; W21-R174 HydrophobicContact CZ3-CG 4.17Å
22E85.8Confident87Confident122 Ų12267.3 Ų67.357%0.5733%0.325SS*.Iπ-helixtrans-64.6-35.7177.1-69.7172.6178.400112.1Q18Q18-E22 PolarHBondContact NE2-OE1 2.78Å; Q18-E22 WeakPolarHBondContact O-CG 3.17Å; Q18-E22 PolarHBondContact O-N 3.03Å
23A84.8Confident87Confident41 Ų4172.9 Ų72.934%0.33935%0.35SS..Iπ-helixtrans-71.1-46.3-17700000111.8A19 Q20 W21 R27A19-A23 WeakPolarHBondContact O-CB 3.36Å; A19-A23 PolarHBondContact O-N 3.08Å; Q20-A23 PolarHBondContact O-N 2.78Å; W21-A23 VanDerWaalsContact C-N 3.3Å; W21-A23 PolarHBondContact O-N 3.29Å; A23-R27 PolarHBondContact O-NE 2.82Å; A23-R27 PolarHBondContact O-NH2 3.12Å
24W82.9Confident87Confident6 Ų674.9 Ų74.92%0.02337%0.371CS..Iπ-helixtrans-150.7-23.2-170.855.8-93.8000117.1Q20 E26 R27 G28 M67 D70 Y71 S74 F129Q20-W24 HydrophobicContact CG-CD2 4.48Å; Q20-W24 VanDerWaalsContact CG-CE2 3.44Å; Q20-W24 HydrophobicContact CG-CH2 4.29Å; Q20-W24 HydrophobicContact CG-CZ2 3.38Å; Q20-W24 PolarHBondContact O-N 2.92Å; Q20-W24 VanDerWaalsContact O-N 3.07Å; W24-E26 PolarHBondContact O-N 3.14Å; W24-R27 PolarHBondContact O-N 2.7Å; W24-G28 PolarHBondContact O-N 3.5Å; W24-M67 HydrophobicContact CH2-CB 3.92Å; W24-M67 HydrophobicContact CH2-CE 4.16Å; W24-M67 HydrophobicContact CH2-CG 4.37Å; W24-M67 WeakPolarHBondContact CH2-O 3.42Å; W24-M67 HydrophobicContact CH2-SD 3.66Å; W24-M67 HydrophobicContact CZ2-CB 4.07Å; W24-M67 HydrophobicContact CZ2-SD 4.33Å; W24-D70 HydrophobicContact CE3-CB 3.85Å; W24-D70 HydrophobicContact CH2-CB 3.87Å; W24-D70 HydrophobicContact CZ3-CB 3.2Å; W24-Y71 HydrophobicContact CB-CD2 4.48Å; W24-Y71 AromaticContact CD1-CD2 3.4Å; W24-Y71 AromaticContact CD1-CE2 3.99Å; W24-Y71 HydrophobicContact CD2-CD2 4.38Å; W24-Y71 AromaticContact CG-CD2 3.86Å; W24-Y71 HydrophobicContact CG-CD2 3.86Å; W24-Y71 AromaticContact NE1-CD2 3.59Å; W24-S74 WeakPolarHBondContact CB-OG 3.4Å; W24-F129 AromaticContact CZ2-CD1 3.89Å; W24-F129 HydrophobicContact CZ2-CD1 3.89Å; W24-F129 AromaticContact CZ2-CE1 3.92Å; W24-F129 HydrophobicContact CZ2-CE1 3.92Å; W24-F129 AromaticContact NE1-CE1 3.57Å
25M83.9Confident87.2Confident3 Ų375 Ų752%0.01537%0.372CS..Iπ-helixtrans-65-42.2-178.2-64.2-165.3-16500112.1Q20 W21 R27 G28 M67 T171 P175Q20-M25 HydrophobicContact CB-CE 4.21Å; Q20-M25 HydrophobicContact CG-CE 3.52Å; Q20-M25 PolarHBondContact O-N 2.84Å; W21-M25 HydrophobicContact CD2-CB 4.17Å; W21-M25 HydrophobicContact CD2-SD 4.37Å; W21-M25 HydrophobicContact CE3-CB 3.77Å; W21-M25 HydrophobicContact CE3-CG 4.11Å; W21-M25 HydrophobicContact CE3-SD 3.27Å; W21-M25 HydrophobicContact CZ3-CB 3.97Å; W21-M25 HydrophobicContact CZ3-CG 4.41Å; W21-M25 HydrophobicContact CZ3-SD 3.46Å; W21-M25 WeakPolarHBondContact CZ3-SD 3.32Å; W21-M25 PolarHBondContact O-N 3.43Å; M25-R27 PolarHBondContact O-N 3.45Å; M25-G28 PolarHBondContact O-N 2.83Å; M25-M67 HydrophobicContact CE-SD 3.99Å; M25-T171 WeakPolarHBondContact O-CG2 3.4Å; M25-P175 HydrophobicContact CE-CG 3.72Å; M25-P175 HydrophobicContact SD-CG 4.36Å
26E80.5Confident87.4Confident130 Ų13065.6 Ų65.661%0.60734%0.337SS*.THydrogen-bonded Turntrans-67.1-23.6179-67.8-172.615900113.1W21 W24W21-E26 HydrophobicContact CD2-CG 4.42Å; W21-E26 HydrophobicContact CG-CG 4.3Å; W21-E26 HydrophobicContact CZ2-CG 4.26Å; W21-E26 VanDerWaalsContact NE1-CD 3.28Å; W21-E26 PolarHBondContact NE1-OE1 3.23Å; W21-E26 PolarHBondContact O-N 3.4Å; W24-E26 PolarHBondContact O-N 3.14Å
27R84.9Confident87.5Confident170 Ų17064.6 Ų64.664%0.64234%0.34SS*.THydrogen-bonded Turntrans-77.2-36.8-178-62-162.6-78.2-161.52.5112.1A23 W24 M25A23-R27 PolarHBondContact O-NE 2.82Å; A23-R27 PolarHBondContact O-NH2 3.12Å; W24-R27 PolarHBondContact O-N 2.7Å; M25-R27 PolarHBondContact O-N 3.45Å
28G83.4Confident87.5Confident12 Ų1267.6 Ų67.612%0.12436%0.36CS..  trans61.8-168.5-172.900000113.6W24 M25 S74W24-G28 PolarHBondContact O-N 3.5Å; M25-G28 PolarHBondContact O-N 2.83Å; G28-S74 VanDerWaalsContact O-CA 3.29Å; G28-S74 WeakPolarHBondContact O-CA 3.37Å; G28-S74 WeakPolarHBondContact O-CB 3.22Å
29P86.2Confident87.5Confident17 Ų1767.8 Ų67.811%0.1137%0.372CS..SBendtrans-67.6144.3-179.3-20.432.9000111.4L73 H167P29-L73 WeakPolarHBondContact CA-O 3.19Å; P29-L73 HydrophobicContact CB-CB 4.12Å; P29-L73 HydrophobicContact CG-CB 4.4Å; P29-L73 HydrophobicContact CG-CD1 4.34Å; P29-H167 WeakPolarHBondContact CD-CE1 3.47Å; P29-H167 WeakPolarHBondContact CD-NE2 3.49Å
30R88.5Confident87.6Confident142 Ų14268.3 Ų68.354%0.53637%0.365SS..PPolyproline II helixtrans-61.1140.6170.5-66.4-162.1178.2-162.2-0.2111.1L35 L73 S74 A75R30-L35 HydrophobicContact CB-CD1 4.16Å; R30-L73 PolarHBondContact N-O 2.91Å; R30-S74 PolarHBondContact NE-O 2.88Å; R30-A75 PolarHBondContact NE-O 3.44Å; R30-A75 PolarHBondContact NH2-O 3.04Å
31K88.7Confident87.8Confident207 Ų20767.9 Ų67.990%0.936%0.363SS*.PPolyproline II helixtrans-97.4140.1179.8-59.8-179-176.6178.10110.6
32G89.6Confident88.2Confident46 Ų4668.8 Ų68.847%0.47437%0.369SS..SBendtrans164.3165.7178.100000111.8G34 L35G32-G34 PolarHBondContact O-N 3.04Å; G32-L35 WeakPolarHBondContact O-CB 3.48Å; G32-L35 PolarHBondContact O-N 3.22Å
33D89.4Confident88.4Confident172 Ų17266.5 Ų66.592%0.9237%0.366SS*.THydrogen-bonded Turntrans-64.4129.6-178.4-66.6-25.2000111.5L35D33-L35 PolarHBondContact O-N 2.91Å
34G90Very high88.7Confident42 Ų4264.7 Ų64.743%0.43335%0.351SS..THydrogen-bonded Turntrans69.83.9-178.100000115G32 Q79 N80G32-G34 PolarHBondContact O-N 3.04Å; G34-Q79 CarbonylContact O-C 3.24Å; G34-Q79 WeakPolarHBondContact O-CA 3.33Å; G34-N80 PolarHBondContact O-N 3.3Å
35L93.3Very high89.3Confident34 Ų3464.5 Ų64.518%0.17835%0.35CS..BIsolated β-bridgetrans-78.7156.1171.5-59.4-169.3000111.1R30 G32 D33 T37 G77 V78R30-L35 HydrophobicContact CB-CD1 4.16Å; G32-L35 WeakPolarHBondContact O-CB 3.48Å; G32-L35 PolarHBondContact O-N 3.22Å; D33-L35 PolarHBondContact O-N 2.91Å; L35-T37 PolarHBondContact O-N 3.14Å; L35-G77 WeakPolarHBondContact CD2-O 3.39Å; L35-V78 WeakPolarHBondContact CA-O 3.41Å
36V93.4Very high89.6Confident6 Ų668 Ų684%0.03637%0.369CS..PPolyproline II helixtrans-59.8119.8179.4175.50000111E40 R41 L73 V78 N80 I83V36-E40 HydrophobicContact CG1-CB 4.35Å; V36-R41 HydrophobicContact CG1-CB 3.87Å; V36-L73 HydrophobicContact CB-CD2 3.76Å; V36-L73 HydrophobicContact CG1-CD1 4.06Å; V36-L73 HydrophobicContact CG1-CD2 3.98Å; V36-L73 HydrophobicContact CG2-CD2 3.94Å; V36-V78 HydrophobicContact CG2-CB 4.26Å; V36-V78 HydrophobicContact CG2-CG1 4.13Å; V36-V78 WeakPolarHBondContact CG2-O 3.2Å; V36-V78 PolarHBondContact N-O 3.45Å; V36-N80 HydrophobicContact CG2-CB 4.48Å; V36-I83 HydrophobicContact CG1-CD1 3.99Å; V36-I83 HydrophobicContact CG1-CG1 4.06Å; V36-I83 HydrophobicContact CG2-CB 3.81Å; V36-I83 HydrophobicContact CG2-CD1 4.06Å; V36-I83 HydrophobicContact CG2-CG1 4.11Å
37T91.3Very high90.1Very high63 Ų6362.6 Ų62.639%0.38734%0.343SS..PPolyproline II helixtrans-79.4157170.663.20000111.2L35 A39 E40 R41L35-T37 PolarHBondContact O-N 3.14Å; T37-A39 PolarHBondContact O-N 3.23Å; T37-E40 PolarHBondContact N-OE2 3.07Å; T37-E40 PolarHBondContact O-N 3.32Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.11Å; T37-E40 PolarHBondContact OG1-OE2 3.16Å; T37-R41 PolarHBondContact O-N 3.44Å
38P90.2Very high90.4Very high64 Ų6454.5 Ų54.542%0.41631%0.312SS..Hα-helixtrans-54.2-35.2173.6-29.737.3000113.9R41 D42 H167P38-R41 PolarHBondContact O-N 2.98Å; P38-D42 WeakPolarHBondContact O-CB 3.41Å; P38-D42 VanDerWaalsContact O-CG 3.26Å; P38-D42 PolarHBondContact O-N 3.46Å; P38-H167 HydrophobicContact CB-CB 4.3Å
39A88.8Confident90.7Very high67 Ų6754.6 Ų54.655%0.55431%0.311SS*.Hα-helixtrans-68.7-44.3177.900000112.1T37 R41 D42 C43T37-A39 PolarHBondContact O-N 3.23Å; A39-R41 VanDerWaalsContact C-N 3.32Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-D42 PolarHBondContact O-N 2.86Å; A39-C43 PolarHBondContact O-N 3.29Å; A39-C43 PolarHBondContact O-SG 3.49Å; A39-C43 VanDerWaalsContact O-SG 3.35Å
40E91.1Very high90.8Very high65 Ų6556.4 Ų56.430%0.30432%0.321SS..Hα-helixtrans-64.6-38.2175.5-71.4164.8140.500111.7V36 T37 C43 A44 N80V36-E40 HydrophobicContact CG1-CB 4.35Å; T37-E40 PolarHBondContact N-OE2 3.07Å; T37-E40 PolarHBondContact O-N 3.32Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.11Å; T37-E40 PolarHBondContact OG1-OE2 3.16Å; E40-C43 PolarHBondContact O-N 2.92Å; E40-A44 WeakPolarHBondContact O-CB 3.4Å; E40-A44 PolarHBondContact O-N 3.19Å; E40-N80 WeakPolarHBondContact OE1-CB 3.49Å; E40-N80 PolarHBondContact OE1-ND2 3.41Å
41R93.4Very high90.7Very high0 Ų050.7 Ų50.70%030%0.302CS..Hα-helixtrans-57.9-52.6171.5178.9-76.8-165.5-165.8-9.3109.9V36 T37 P38 A39 C43 A44 I45 D70 L73 S164 A165V36-R41 HydrophobicContact CG1-CB 3.87Å; T37-R41 PolarHBondContact O-N 3.44Å; P38-R41 PolarHBondContact O-N 2.98Å; A39-R41 VanDerWaalsContact C-N 3.32Å; A39-R41 PolarHBondContact O-N 3.48Å; R41-C43 VanDerWaalsContact C-N 3.32Å; R41-C43 PolarHBondContact O-N 2.87Å; R41-A44 WeakPolarHBondContact O-CB 3.18Å; R41-A44 PolarHBondContact O-N 2.9Å; R41-I45 HydrophobicContact CG-CG1 4.48Å; R41-I45 WeakPolarHBondContact O-CG1 3.5Å; R41-I45 PolarHBondContact O-N 3.28Å; R41-D70 IonicContact CZ-OD1 3.74Å; R41-D70 VanDerWaalsContact CZ-OD1 3.26Å; R41-D70 IonicContact CZ-OD2 3.26Å; R41-D70 IonicContact NE-OD1 3.02Å; R41-D70 PolarHBondContact NE-OD1 3.11Å; R41-D70 IonicContact NE-OD2 2.74Å; R41-D70 IonicContact NH2-OD1 3.9Å; R41-D70 PolarHBondContact NH2-OD1 3.42Å; R41-D70 IonicContact NH2-OD2 2.95Å; R41-D70 PolarHBondContact NH2-OD2 2.65Å; R41-L73 HydrophobicContact CB-CD1 4.01Å; R41-L73 HydrophobicContact CG-CD1 3.51Å; R41-S164 PolarHBondContact NH1-O 3.23Å; R41-S164 PolarHBondContact NH2-O 2.88Å; R41-A165 VanDerWaalsContact NH1-C 3.31Å; R41-A165 PolarHBondContact NH1-O 3.26Å; R41-A165 VanDerWaalsContact NH1-O 3.08Å
42D91.4Very high90.7Very high36 Ų3641 Ų4119%0.19326%0.26CS..Hα-helixtrans-59.7-43-178.4-73.6-3.5000111.5P38 A39 A44 I45 L46 A165 H167P38-D42 WeakPolarHBondContact O-CB 3.41Å; P38-D42 VanDerWaalsContact O-CG 3.26Å; P38-D42 PolarHBondContact O-N 3.46Å; A39-D42 PolarHBondContact O-N 2.86Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 3.44Å; D42-I45 PolarHBondContact O-N 3.4Å; D42-L46 WeakPolarHBondContact O-CG 3.05Å; D42-L46 PolarHBondContact O-N 3.07Å; D42-A165 WeakPolarHBondContact CA-O 3.28Å; D42-A165 WeakPolarHBondContact CB-O 3.5Å; D42-H167 WeakPolarHBondContact OD1-CA 3.35Å; D42-H167 WeakPolarHBondContact OD1-CB 3.36Å; D42-H167 PolarHBondContact OD1-N 3.43Å; D42-H167 PolarHBondContact OD2-N 3.12Å
43C91.2Very high90.5Very high74 Ų7443.4 Ų43.450%0.526%0.262SS..Hα-helixtrans-60.1-40.5172.9-69.10000112.8A39 E40 R41 W47A39-C43 PolarHBondContact O-N 3.29Å; A39-C43 PolarHBondContact O-SG 3.49Å; A39-C43 VanDerWaalsContact O-SG 3.35Å; E40-C43 PolarHBondContact O-N 2.92Å; R41-C43 VanDerWaalsContact C-N 3.32Å; R41-C43 PolarHBondContact O-N 2.87Å; C43-W47 WeakPolarHBondContact O-CB 3.11Å; C43-W47 PolarHBondContact O-N 2.85Å
44A91.2Very high90.3Very high3 Ų341 Ų413%0.02525%0.25CC..Hα-helixtrans-70.1-36.9179.400000112.7E40 R41 D42 W47 M48 I83E40-A44 WeakPolarHBondContact O-CB 3.4Å; E40-A44 PolarHBondContact O-N 3.19Å; R41-A44 WeakPolarHBondContact O-CB 3.18Å; R41-A44 PolarHBondContact O-N 2.9Å; D42-A44 VanDerWaalsContact C-N 3.33Å; D42-A44 PolarHBondContact O-N 3.44Å; A44-W47 PolarHBondContact O-N 3.45Å; A44-M48 VanDerWaalsContact O-CB 3.31Å; A44-M48 WeakPolarHBondContact O-CB 3.21Å; A44-M48 PolarHBondContact O-N 3.35Å; A44-I83 HydrophobicContact CB-CB 4.45Å; A44-I83 HydrophobicContact CB-CD1 4.49Å; A44-I83 HydrophobicContact CB-CG1 3.53Å; A44-I83 HydrophobicContact CB-CG2 4.11Å
45I94.2Very high90Very high1 Ų140.8 Ų40.81%0.00524%0.238CC..Hα-helixtrans-70.3-39.6176-61.7-56.7000111.2R41 D42 W47 M48 T49 T66 V69 A165R41-I45 HydrophobicContact CG-CG1 4.48Å; R41-I45 WeakPolarHBondContact O-CG1 3.5Å; R41-I45 PolarHBondContact O-N 3.28Å; D42-I45 PolarHBondContact O-N 3.4Å; I45-W47 VanDerWaalsContact C-N 3.35Å; I45-M48 HydrophobicContact CD1-CE 3.64Å; I45-M48 HydrophobicContact CD1-SD 4.47Å; I45-M48 HydrophobicContact CG2-CE 4.26Å; I45-M48 PolarHBondContact O-N 2.84Å; I45-T49 WeakPolarHBondContact O-CB 3.26Å; I45-T49 PolarHBondContact O-N 3.3Å; I45-T49 PolarHBondContact O-OG1 3.25Å; I45-T66 HydrophobicContact CD1-CG2 3.94Å; I45-T66 HydrophobicContact CG1-CG2 4.1Å; I45-T66 HydrophobicContact CG2-CG2 4.04Å; I45-T66 WeakPolarHBondContact CG2-OG1 3.41Å; I45-V69 HydrophobicContact CD1-CB 4.07Å; I45-V69 HydrophobicContact CD1-CG1 4.07Å; I45-V69 HydrophobicContact CD1-CG2 4.03Å; I45-A165 HydrophobicContact CG2-CB 4.12Å
46L91.2Very high89.5Confident77 Ų7742.3 Ų42.340%0.40326%0.262SS..Hα-helixtrans-59-47.7172.8-73.7171.7000111D42 T49 T50 A165D42-L46 WeakPolarHBondContact O-CG 3.05Å; D42-L46 PolarHBondContact O-N 3.07Å; L46-T49 WeakPolarHBondContact O-CB 3.14Å; L46-T49 PolarHBondContact O-N 3.48Å; L46-T50 PolarHBondContact O-N 2.96Å; L46-A165 HydrophobicContact CD2-CB 3.6Å; L46-A165 HydrophobicContact CG-CB 4.02Å
47W91Very high89.1Confident17 Ų1742.6 Ų42.66%0.06426%0.264CS..Hα-helixtrans-62.7-42.2175168.370.7000113C43 A44 I45 T49 T50 V51 R84 A87 L88 L106 F233C43-W47 WeakPolarHBondContact O-CB 3.11Å; C43-W47 PolarHBondContact O-N 2.85Å; A44-W47 PolarHBondContact O-N 3.45Å; I45-W47 VanDerWaalsContact C-N 3.35Å; W47-T49 PolarHBondContact O-N 2.68Å; W47-T50 PolarHBondContact O-N 3.09Å; W47-T50 PolarHBondContact O-OG1 3.17Å; W47-V51 HydrophobicContact CD2-CG2 4.43Å; W47-V51 HydrophobicContact CZ2-CG2 4.14Å; W47-V51 WeakPolarHBondContact O-CG2 3.31Å; W47-V51 PolarHBondContact O-N 3.32Å; W47-R84 HydrophobicContact CE3-CB 4.2Å; W47-R84 HydrophobicContact CE3-CG 3.92Å; W47-R84 HydrophobicContact CH2-CB 3.81Å; W47-R84 HydrophobicContact CH2-CG 4.25Å; W47-R84 HydrophobicContact CZ3-CB 3.51Å; W47-R84 HydrophobicContact CZ3-CG 3.76Å; W47-R84 WeakPolarHBondContact CZ3-O 3.45Å; W47-A87 HydrophobicContact CZ3-CB 4.38Å; W47-L88 HydrophobicContact CH2-CD1 3.49Å; W47-L88 VanDerWaalsContact CH2-CD1 3.49Å; W47-L88 HydrophobicContact CH2-CD2 4.03Å; W47-L88 HydrophobicContact CH2-CG 3.43Å; W47-L88 VanDerWaalsContact CH2-CG 3.43Å; W47-L88 HydrophobicContact CZ2-CD1 4.13Å; W47-L88 HydrophobicContact CZ2-CG 4.31Å; W47-L88 HydrophobicContact CZ3-CD1 4.4Å; W47-L88 HydrophobicContact CZ3-CD2 4.43Å; W47-L88 HydrophobicContact CZ3-CG 3.87Å; W47-L106 HydrophobicContact CZ2-CD1 3.84Å; W47-F233 HydrophobicContact CB-CD1 4.34Å; W47-F233 HydrophobicContact CB-CE1 4Å; W47-F233 HydrophobicContact CB-CZ 4.26Å; W47-F233 AromaticContact CD1-CD1 3.43Å; W47-F233 VanDerWaalsContact CD1-CD1 3.43Å; W47-F233 AromaticContact CD1-CE1 3.9Å; W47-F233 AromaticContact CD1-CG 3.95Å; W47-F233 HydrophobicContact CG-CD1 4.07Å; W47-F233 HydrophobicContact CG-CE1 4.08Å
48M91.8Very high88.9Confident0 Ų040.6 Ų40.60%025%0.253CS..Hα-helixtrans-61.5-36.6175.3-178.5-176.170.700111.6A44 I45 V51 A52 S62 A65 T66 A87 L91A44-M48 VanDerWaalsContact O-CB 3.31Å; A44-M48 WeakPolarHBondContact O-CB 3.21Å; A44-M48 PolarHBondContact O-N 3.35Å; I45-M48 HydrophobicContact CD1-CE 3.64Å; I45-M48 HydrophobicContact CD1-SD 4.47Å; I45-M48 HydrophobicContact CG2-CE 4.26Å; I45-M48 PolarHBondContact O-N 2.84Å; M48-V51 PolarHBondContact O-N 3.44Å; M48-A52 PolarHBondContact O-N 2.88Å; M48-S62 WeakPolarHBondContact CE-O 3.18Å; M48-A65 HydrophobicContact CE-CB 3.85Å; M48-A65 HydrophobicContact SD-CB 3.84Å; M48-T66 WeakPolarHBondContact CE-OG1 3.26Å; M48-A87 HydrophobicContact CB-CB 4.16Å; M48-A87 HydrophobicContact CG-CB 4.33Å; M48-A87 HydrophobicContact SD-CB 3.87Å; M48-L91 HydrophobicContact CG-CB 4.03Å; M48-L91 HydrophobicContact CG-CD1 4.09Å; M48-L91 HydrophobicContact CG-CD2 4.15Å; M48-L91 HydrophobicContact CG-CG 4.33Å; M48-L91 HydrophobicContact SD-CB 4.06Å; M48-L91 HydrophobicContact SD-CD1 4.46Å
49T89.5Confident88.6Confident14 Ų1439.7 Ų39.79%0.08625%0.247CC..Hα-helixtrans-65.5-43175.6-55.30000111I45 L46 W47 V51 A52 D53 S62 N161I45-T49 WeakPolarHBondContact O-CB 3.26Å; I45-T49 PolarHBondContact O-N 3.3Å; I45-T49 PolarHBondContact O-OG1 3.25Å; L46-T49 WeakPolarHBondContact O-CB 3.14Å; L46-T49 PolarHBondContact O-N 3.48Å; W47-T49 PolarHBondContact O-N 2.68Å; T49-V51 VanDerWaalsContact C-N 3.3Å; T49-V51 PolarHBondContact O-N 3.49Å; T49-A52 PolarHBondContact O-N 2.93Å; T49-D53 VanDerWaalsContact O-CG 3.31Å; T49-D53 PolarHBondContact O-N 3.34Å; T49-S62 PolarHBondContact OG1-OG 3.41Å; T49-N161 HydrophobicContact CG2-CB 4.2Å
50T88Confident88.4Confident54 Ų5438.6 Ų38.633%0.33123%0.232SC..Hα-helixtrans-63-38.1174.960.90000112L46 W47 D53 D54L46-T50 PolarHBondContact O-N 2.96Å; W47-T50 PolarHBondContact O-N 3.09Å; W47-T50 PolarHBondContact O-OG1 3.17Å; T50-D53 PolarHBondContact O-N 2.96Å; T50-D54 WeakPolarHBondContact O-CB 3.47Å; T50-D54 VanDerWaalsContact O-CG 3.29Å; T50-D54 PolarHBondContact O-N 3.49Å
51V86.8Confident88.4Confident23 Ų2335.5 Ų35.514%0.13922%0.218CC..Hα-helixtrans-64-43.3174.8173.90000111.3W47 M48 T49 D53 D54 L55 L88 L91W47-V51 HydrophobicContact CD2-CG2 4.43Å; W47-V51 HydrophobicContact CZ2-CG2 4.14Å; W47-V51 WeakPolarHBondContact O-CG2 3.31Å; W47-V51 PolarHBondContact O-N 3.32Å; M48-V51 PolarHBondContact O-N 3.44Å; T49-V51 VanDerWaalsContact C-N 3.3Å; T49-V51 PolarHBondContact O-N 3.49Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 2.73Å; V51-D54 PolarHBondContact O-N 2.91Å; V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; V51-L55 WeakPolarHBondContact O-CB 3.19Å; V51-L55 VanDerWaalsContact O-CG 3.22Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.03Å; V51-L55 VanDerWaalsContact O-N 3.07Å; V51-L88 HydrophobicContact CB-CD2 4.49Å; V51-L88 HydrophobicContact CG1-CD2 3.9Å; V51-L91 HydrophobicContact CG1-CD2 4.13Å
52A87.9Confident88.3Confident2 Ų235.7 Ų35.72%0.01722%0.219CC..Hα-helixtrans-60.8-42.4177.100000111.8M48 T49 L55 G56 L57 L91M48-A52 PolarHBondContact O-N 2.88Å; T49-A52 PolarHBondContact O-N 2.93Å; A52-L55 PolarHBondContact O-N 2.91Å; A52-G56 PolarHBondContact O-N 3.14Å; A52-L57 HydrophobicContact CB-CB 4.35Å; A52-L57 HydrophobicContact CB-CD1 4.05Å; A52-L57 PolarHBondContact O-N 3.07Å; A52-L91 HydrophobicContact CB-CD1 3.96Å; A52-L91 HydrophobicContact CB-CD2 4.31Å
53D85.8Confident88.3Confident97 Ų9734 Ų3452%0.51921%0.21SC..Hα-helixtrans-64.6-44.5177-67.5-21.4000111.8T49 T50 V51 L55 G56T49-D53 VanDerWaalsContact O-CG 3.31Å; T49-D53 PolarHBondContact O-N 3.34Å; T50-D53 PolarHBondContact O-N 2.96Å; V51-D53 VanDerWaalsContact C-N 3.32Å; V51-D53 PolarHBondContact O-N 2.73Å; D53-L55 PolarHBondContact O-N 3.24Å; D53-G56 PolarHBondContact O-N 2.85Å
54D84.8Confident88.3Confident122 Ų12231.3 Ų31.365%0.65219%0.193SC*.Hα-helixtrans-64.7-26.8178.6-74.4-19000112.7T50 V51 G56T50-D54 WeakPolarHBondContact O-CB 3.47Å; T50-D54 VanDerWaalsContact O-CG 3.29Å; T50-D54 PolarHBondContact O-N 3.49Å; V51-D54 PolarHBondContact O-N 2.91Å; D54-G56 VanDerWaalsContact C-N 3.34Å
55L83.3Confident88.4Confident37 Ų3731.2 Ų31.219%0.19419%0.192CC..THydrogen-bonded Turntrans-86.5-5.8174.7-67.4173.4000113.1V51 A52 D53 L57 V103 R104V51-L55 HydrophobicContact CG1-CD1 3.8Å; V51-L55 HydrophobicContact CG1-CG 4.37Å; V51-L55 WeakPolarHBondContact O-CB 3.19Å; V51-L55 VanDerWaalsContact O-CG 3.22Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.03Å; V51-L55 VanDerWaalsContact O-N 3.07Å; A52-L55 PolarHBondContact O-N 2.91Å; D53-L55 PolarHBondContact O-N 3.24Å; L55-L57 VanDerWaalsContact C-N 3.27Å; L55-L57 HydrophobicContact CB-CD1 4.4Å; L55-L57 HydrophobicContact CB-CD2 4.11Å; L55-L57 HydrophobicContact CB-CG 3.84Å; L55-L57 HydrophobicContact CD1-CD1 4.33Å; L55-L57 PolarHBondContact O-N 3.16Å; L55-V103 HydrophobicContact CD1-CB 4.18Å; L55-V103 HydrophobicContact CD1-CG1 3.49Å; L55-V103 VanDerWaalsContact CD1-CG1 3.49Å; L55-R104 HydrophobicContact CD2-CB 3.96Å; L55-R104 HydrophobicContact CD2-CG 3.73Å
56G83.6Confident88.5Confident66 Ų6631.1 Ų31.168%0.6819%0.192SC*.THydrogen-bonded Turntrans66.427.6-177.900000113.7A52 D53 D54A52-G56 PolarHBondContact O-N 3.14Å; D53-G56 PolarHBondContact O-N 2.85Å; D54-G56 VanDerWaalsContact C-N 3.34Å
57L84.9Confident88.5Confident13 Ų1327.5 Ų27.57%0.06817%0.173CC..  trans-68.4156.5177.9-55.8-175.4000111A52 L55 I61 L91 T95 P101A52-L57 HydrophobicContact CB-CB 4.35Å; A52-L57 HydrophobicContact CB-CD1 4.05Å; A52-L57 PolarHBondContact O-N 3.07Å; L55-L57 VanDerWaalsContact C-N 3.27Å; L55-L57 HydrophobicContact CB-CD1 4.4Å; L55-L57 HydrophobicContact CB-CD2 4.11Å; L55-L57 HydrophobicContact CB-CG 3.84Å; L55-L57 HydrophobicContact CD1-CD1 4.33Å; L55-L57 PolarHBondContact O-N 3.16Å; L57-I61 HydrophobicContact CB-CB 4.37Å; L57-I61 HydrophobicContact CB-CG1 4.28Å; L57-I61 HydrophobicContact CD1-CG2 4.07Å; L57-L91 HydrophobicContact CD1-CD1 4.15Å; L57-L91 HydrophobicContact CD1-CD2 4.16Å; L57-L91 HydrophobicContact CD1-CG 4.14Å; L57-T95 HydrophobicContact CD2-CG2 4.09Å; L57-P101 HydrophobicContact CD2-CB 4.07Å; L57-P101 HydrophobicContact CD2-CG 3.41Å; L57-P101 VanDerWaalsContact CD2-CG 3.41Å
58A86Confident88.6Confident20 Ų2026.8 Ų26.817%0.16517%0.17CC..  trans-59.9146.7173.500000112.5D60 I61 E99A58-D60 WeakPolarHBondContact CB-OD1 3.32Å; A58-D60 PolarHBondContact O-N 3.31Å; A58-D60 VanDerWaalsContact O-N 3.14Å; A58-I61 HydrophobicContact CB-CG1 3.97Å; A58-I61 WeakPolarHBondContact O-CB 3.31Å; A58-I61 VanDerWaalsContact O-CG1 3.27Å; A58-I61 WeakPolarHBondContact O-CG1 3.26Å; A58-I61 PolarHBondContact O-N 3.37Å; A58-I61 VanDerWaalsContact O-N 3.11Å; A58-E99 VanDerWaalsContact CB-OE1 3.28Å; A58-E99 WeakPolarHBondContact CB-OE1 3.48Å; A58-E99 PolarHBondContact N-OE2 2.74Å
59P84.4Confident88.8Confident45 Ų4526.8 Ų26.829%0.29217%0.17SC..THydrogen-bonded Turntrans-66.5-18.7-170.826-35.8000114.3P63 Y133 S157 N161P59-P63 WeakPolarHBondContact O-CD 3.18Å; P59-Y133 HydrophobicContact CB-CE1 3.96Å; P59-Y133 HydrophobicContact CG-CE1 4.24Å; P59-Y133 PolarHBondContact O-OH 3.1Å; P59-S157 WeakPolarHBondContact CB-OG 3.44Å; P59-N161 PolarHBondContact O-OD1 3.35Å
60D85.5Confident89Confident44 Ų4426.5 Ų26.524%0.23517%0.168CC..THydrogen-bonded Turntrans-82.8-16.4177.962.6-48.1000113.5A58 P63 A64 Y133A58-D60 WeakPolarHBondContact CB-OD1 3.32Å; A58-D60 PolarHBondContact O-N 3.31Å; A58-D60 VanDerWaalsContact O-N 3.14Å; D60-P63 WeakPolarHBondContact O-CD 3.5Å; D60-A64 WeakPolarHBondContact O-CB 3.5Å; D60-A64 PolarHBondContact O-N 3.03Å; D60-A64 VanDerWaalsContact O-N 3.09Å; D60-Y133 HydrophobicContact CB-CD1 4.05Å; D60-Y133 HydrophobicContact CB-CG 4.08Å
61I89.9Confident89.2Confident0 Ų026.5 Ų26.50%016%0.163CC..Hα-helixtrans-64.1-51.8-178.3-57.6-60.4000111.8L57 A58 A64 A65 L91 T94 T95 L98 E99L57-I61 HydrophobicContact CB-CB 4.37Å; L57-I61 HydrophobicContact CB-CG1 4.28Å; L57-I61 HydrophobicContact CD1-CG2 4.07Å; A58-I61 HydrophobicContact CB-CG1 3.97Å; A58-I61 WeakPolarHBondContact O-CB 3.31Å; A58-I61 VanDerWaalsContact O-CG1 3.27Å; A58-I61 WeakPolarHBondContact O-CG1 3.26Å; A58-I61 PolarHBondContact O-N 3.37Å; A58-I61 VanDerWaalsContact O-N 3.11Å; I61-A64 PolarHBondContact O-N 3.46Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.27Å; I61-L91 HydrophobicContact CG2-CD1 3.78Å; I61-T94 HydrophobicContact CD1-CG2 4.47Å; I61-T94 HydrophobicContact CG2-CG2 4.04Å; I61-T94 WeakPolarHBondContact O-CG2 3.18Å; I61-T95 WeakPolarHBondContact CG2-OG1 3.29Å; I61-L98 HydrophobicContact CD1-CB 3.43Å; I61-L98 VanDerWaalsContact CD1-CB 3.43Å; I61-L98 HydrophobicContact CD1-CD1 3.59Å; I61-L98 HydrophobicContact CD1-CG 4.13Å; I61-E99 HydrophobicContact CD1-CG 4.38Å
62S91.3Very high89.5Confident4 Ų425.5 Ų25.53%0.02816%0.157CC..Hα-helixtrans-60.4-46.4-179.8172.10000112.9M48 T49 A64 A65 T66M48-S62 WeakPolarHBondContact CE-O 3.18Å; T49-S62 PolarHBondContact OG1-OG 3.41Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 3.43Å; S62-A65 PolarHBondContact O-N 2.85Å; S62-T66 WeakPolarHBondContact O-CB 3.27Å; S62-T66 PolarHBondContact O-N 2.87Å; S62-T66 PolarHBondContact O-OG1 2.81Å
63P91.8Very high89.7Confident1 Ų125.6 Ų25.61%0.00616%0.157CC..Hα-helixtrans-58.1-39.8172.2-24.429.5000114.2P59 D60 T66 M67 T131 Y133 N161P59-P63 WeakPolarHBondContact O-CD 3.18Å; D60-P63 WeakPolarHBondContact O-CD 3.5Å; P63-T66 VanDerWaalsContact O-CB 3.3Å; P63-T66 WeakPolarHBondContact O-CB 3.16Å; P63-T66 PolarHBondContact O-N 3.41Å; P63-M67 WeakPolarHBondContact O-CG 3.47Å; P63-M67 PolarHBondContact O-N 2.61Å; P63-T131 HydrophobicContact CB-CG2 4.27Å; P63-Y133 HydrophobicContact CB-CD2 4.03Å; P63-Y133 HydrophobicContact CB-CE2 4.21Å; P63-Y133 HydrophobicContact CG-CD2 3.6Å; P63-Y133 HydrophobicContact CG-CE2 3.32Å; P63-N161 WeakPolarHBondContact CG-OD1 3.45Å
64A91.4Very high89.9Confident18 Ų1821.4 Ų21.415%0.14914%0.135CC..Hα-helixtrans-69.7-40.8177.600000111.5D60 I61 S62 T66 M67 I68 T94 L98 T131D60-A64 WeakPolarHBondContact O-CB 3.5Å; D60-A64 PolarHBondContact O-N 3.03Å; D60-A64 VanDerWaalsContact O-N 3.09Å; I61-A64 PolarHBondContact O-N 3.46Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 3.43Å; A64-T66 VanDerWaalsContact C-N 3.25Å; A64-T66 PolarHBondContact O-N 3.22Å; A64-M67 WeakPolarHBondContact O-CB 3.35Å; A64-M67 PolarHBondContact O-N 3.34Å; A64-M67 VanDerWaalsContact O-N 3.13Å; A64-I68 PolarHBondContact O-N 2.86Å; A64-T94 HydrophobicContact CB-CG2 3.45Å; A64-T94 VanDerWaalsContact CB-CG2 3.45Å; A64-L98 HydrophobicContact CB-CD1 4.26Å; A64-T131 HydrophobicContact CB-CG2 4.1Å
65A93.7Very high90.1Very high0 Ų016.9 Ų16.90%012%0.115CC..Hα-helixtrans-61-36.6172.100000112.1M48 I61 S62 M67 I68 V69 S90 L91 T94M48-A65 HydrophobicContact CE-CB 3.85Å; M48-A65 HydrophobicContact SD-CB 3.84Å; I61-A65 WeakPolarHBondContact O-CB 3.35Å; I61-A65 PolarHBondContact O-N 3.27Å; S62-A65 PolarHBondContact O-N 2.85Å; A65-M67 VanDerWaalsContact C-N 3.27Å; A65-M67 PolarHBondContact O-N 3.21Å; A65-I68 WeakPolarHBondContact O-CB 3.43Å; A65-I68 PolarHBondContact O-N 3.08Å; A65-I68 VanDerWaalsContact O-N 3.11Å; A65-V69 WeakPolarHBondContact O-CG2 3.41Å; A65-V69 PolarHBondContact O-N 3.19Å; A65-S90 WeakPolarHBondContact O-CB 3.4Å; A65-L91 HydrophobicContact CB-CB 4.29Å; A65-L91 HydrophobicContact CB-CD1 4.12Å; A65-T94 VanDerWaalsContact CA-OG1 3.29Å; A65-T94 WeakPolarHBondContact CA-OG1 3.4Å; A65-T94 PolarHBondContact N-OG1 3.26Å
66T95.1Very high90.3Very high0 Ų016.6 Ų16.60%012%0.116CC..Hα-helixtrans-59.2-38.4175.6-60.60000111.7I45 M48 S62 P63 A64 I68 V69 D70 L170I45-T66 HydrophobicContact CD1-CG2 3.94Å; I45-T66 HydrophobicContact CG1-CG2 4.1Å; I45-T66 HydrophobicContact CG2-CG2 4.04Å; I45-T66 WeakPolarHBondContact CG2-OG1 3.41Å; M48-T66 WeakPolarHBondContact CE-OG1 3.26Å; S62-T66 WeakPolarHBondContact O-CB 3.27Å; S62-T66 PolarHBondContact O-N 2.87Å; S62-T66 PolarHBondContact O-OG1 2.81Å; P63-T66 VanDerWaalsContact O-CB 3.3Å; P63-T66 WeakPolarHBondContact O-CB 3.16Å; P63-T66 PolarHBondContact O-N 3.41Å; A64-T66 VanDerWaalsContact C-N 3.25Å; A64-T66 PolarHBondContact O-N 3.22Å; T66-I68 VanDerWaalsContact C-N 3.33Å; T66-I68 PolarHBondContact O-N 2.87Å; T66-V69 PolarHBondContact O-N 2.74Å; T66-D70 PolarHBondContact O-N 3.19Å; T66-L170 HydrophobicContact CG2-CD1 4.08Å
67M92.5Very high90.5Very high0 Ų015.3 Ų15.30%010%0.103CC..Hα-helixtrans-64.7-37.4176-58.4-64.584.300112.3Q20 W24 M25 P63 A64 A65 D70 Y71 F129 T131 L170Q20-M67 PolarHBondContact NE2-SD 2.81Å; W24-M67 HydrophobicContact CH2-CB 3.92Å; W24-M67 HydrophobicContact CH2-CE 4.16Å; W24-M67 HydrophobicContact CH2-CG 4.37Å; W24-M67 WeakPolarHBondContact CH2-O 3.42Å; W24-M67 HydrophobicContact CH2-SD 3.66Å; W24-M67 HydrophobicContact CZ2-CB 4.07Å; W24-M67 HydrophobicContact CZ2-SD 4.33Å; M25-M67 HydrophobicContact CE-SD 3.99Å; P63-M67 WeakPolarHBondContact O-CG 3.47Å; P63-M67 PolarHBondContact O-N 2.61Å; A64-M67 WeakPolarHBondContact O-CB 3.35Å; A64-M67 PolarHBondContact O-N 3.34Å; A64-M67 VanDerWaalsContact O-N 3.13Å; A65-M67 VanDerWaalsContact C-N 3.27Å; A65-M67 PolarHBondContact O-N 3.21Å; M67-D70 PolarHBondContact O-N 3.33Å; M67-Y71 WeakPolarHBondContact O-CB 3.29Å; M67-Y71 PolarHBondContact O-N 3.46Å; M67-F129 HydrophobicContact CB-CB 3.85Å; M67-F129 HydrophobicContact CB-CD1 4.42Å; M67-F129 HydrophobicContact CB-CD2 4.12Å; M67-F129 HydrophobicContact CB-CG 3.86Å; M67-F129 HydrophobicContact CG-CB 4.12Å; M67-T131 HydrophobicContact CG-CG2 3.92Å; M67-L170 HydrophobicContact CE-CD1 3.72Å; M67-L170 HydrophobicContact CE-CD2 4.05Å; M67-L170 HydrophobicContact CE-CG 4.47Å
68I93.6Very high90.8Very high3 Ų315.7 Ų15.72%0.01511%0.106CC..Hα-helixtrans-64.5-44.1174.1-63.2179.7000110.7A64 A65 T66 Y71 A72 S90 T93 T94 I119 L123 L127 F129A64-I68 PolarHBondContact O-N 2.86Å; A65-I68 WeakPolarHBondContact O-CB 3.43Å; A65-I68 PolarHBondContact O-N 3.08Å; A65-I68 VanDerWaalsContact O-N 3.11Å; T66-I68 VanDerWaalsContact C-N 3.33Å; T66-I68 PolarHBondContact O-N 2.87Å; I68-Y71 PolarHBondContact O-N 3.35Å; I68-A72 WeakPolarHBondContact O-CB 3.35Å; I68-A72 PolarHBondContact O-N 2.97Å; I68-S90 VanDerWaalsContact CG2-OG 3.23Å; I68-S90 WeakPolarHBondContact CG2-OG 3.35Å; I68-T93 HydrophobicContact CD1-CG2 4.33Å; I68-T94 VanDerWaalsContact CD1-OG1 3.24Å; I68-T94 WeakPolarHBondContact CD1-OG1 3.49Å; I68-I119 HydrophobicContact CG2-CD1 4.43Å; I68-I119 HydrophobicContact CG2-CG1 4.43Å; I68-I119 HydrophobicContact CG2-CG2 3.38Å; I68-L123 HydrophobicContact CD1-CD1 4.48Å; I68-L123 HydrophobicContact CG1-CD1 4.29Å; I68-L123 HydrophobicContact CG2-CD1 4.04Å; I68-L127 HydrophobicContact CD1-CD2 3.73Å; I68-L127 HydrophobicContact CG1-CD2 4.32Å; I68-F129 HydrophobicContact CG1-CD2 4.2Å; I68-F129 HydrophobicContact CG1-CE2 4Å
69V95Very high91.1Very high0 Ų019 Ų190%012%0.118CC..Hα-helixtrans-59.3-50.6176.9175.60000110.5I45 A65 T66 Y71 A72 L73 I83 L86 A87 S90I45-V69 HydrophobicContact CD1-CB 4.07Å; I45-V69 HydrophobicContact CD1-CG1 4.07Å; I45-V69 HydrophobicContact CD1-CG2 4.03Å; A65-V69 WeakPolarHBondContact O-CG2 3.41Å; A65-V69 PolarHBondContact O-N 3.19Å; T66-V69 PolarHBondContact O-N 2.74Å; V69-Y71 PolarHBondContact O-N 3.01Å; V69-A72 PolarHBondContact O-N 3.48Å; V69-A72 VanDerWaalsContact O-N 3.17Å; V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 2.92Å; V69-I83 HydrophobicContact CG1-CD1 3.97Å; V69-L86 HydrophobicContact CG1-CD2 4.18Å; V69-L86 HydrophobicContact CG1-CG 4.5Å; V69-L86 HydrophobicContact CG2-CG 4.42Å; V69-A87 HydrophobicContact CG2-CB 4.36Å; V69-S90 WeakPolarHBondContact CG2-OG 3.47Å
70D93.7Very high91.4Very high8 Ų820 Ų204%0.04312%0.12CC..Hα-helixtrans-64.3-40.2-178.4-70.6-27.9000112.5W24 R41 T66 M67 A72 L73 S74W24-D70 HydrophobicContact CE3-CB 3.85Å; W24-D70 HydrophobicContact CH2-CB 3.87Å; W24-D70 HydrophobicContact CZ3-CB 3.2Å; R41-D70 IonicContact CZ-OD1 3.74Å; R41-D70 VanDerWaalsContact CZ-OD1 3.26Å; R41-D70 IonicContact CZ-OD2 3.26Å; R41-D70 IonicContact NE-OD1 3.02Å; R41-D70 PolarHBondContact NE-OD1 3.11Å; R41-D70 IonicContact NE-OD2 2.74Å; R41-D70 IonicContact NH2-OD1 3.9Å; R41-D70 PolarHBondContact NH2-OD1 3.42Å; R41-D70 IonicContact NH2-OD2 2.95Å; R41-D70 PolarHBondContact NH2-OD2 2.65Å; T66-D70 PolarHBondContact O-N 3.19Å; M67-D70 PolarHBondContact O-N 3.33Å; D70-A72 VanDerWaalsContact C-N 3.35Å; D70-A72 PolarHBondContact O-N 3.45Å; D70-L73 PolarHBondContact O-N 3.46Å; D70-S74 WeakPolarHBondContact O-CB 3.45Å; D70-S74 PolarHBondContact O-N 3.24Å
71Y92.3Very high91.6Very high54 Ų5424.1 Ų24.121%0.21214%0.136CC..Hα-helixtrans-55.2-52.7171.3-180-82000110.5W24 M67 I68 V69 L73 S74 A75 L122 L123 F129W24-Y71 HydrophobicContact CB-CD2 4.48Å; W24-Y71 AromaticContact CD1-CD2 3.4Å; W24-Y71 AromaticContact CD1-CE2 3.99Å; W24-Y71 HydrophobicContact CD2-CD2 4.38Å; W24-Y71 AromaticContact CG-CD2 3.86Å; W24-Y71 HydrophobicContact CG-CD2 3.86Å; W24-Y71 AromaticContact NE1-CD2 3.59Å; M67-Y71 WeakPolarHBondContact O-CB 3.29Å; M67-Y71 PolarHBondContact O-N 3.46Å; I68-Y71 PolarHBondContact O-N 3.35Å; V69-Y71 PolarHBondContact O-N 3.01Å; Y71-L73 VanDerWaalsContact C-N 3.32Å; Y71-L73 PolarHBondContact O-N 2.94Å; Y71-S74 PolarHBondContact O-N 3.43Å; Y71-S74 VanDerWaalsContact O-N 3.12Å; Y71-S74 PolarHBondContact O-OG 3.17Å; Y71-A75 HydrophobicContact CD1-CB 4.3Å; Y71-A75 HydrophobicContact CE1-CB 3.92Å; Y71-A75 WeakPolarHBondContact O-CB 3.18Å; Y71-A75 PolarHBondContact O-N 3.12Å; Y71-L122 HydrophobicContact CE1-CB 4.16Å; Y71-L122 WeakPolarHBondContact CE1-O 3.45Å; Y71-L122 PolarHBondContact OH-O 3.28Å; Y71-L123 HydrophobicContact CD1-CD2 3.39Å; Y71-L123 HydrophobicContact CD1-CG 4.16Å; Y71-L123 HydrophobicContact CD2-CD2 4.1Å; Y71-L123 HydrophobicContact CE1-CD2 3.84Å; Y71-L123 HydrophobicContact CE1-CG 4.38Å; Y71-L123 HydrophobicContact CE2-CD2 4.46Å; Y71-L123 HydrophobicContact CG-CD2 3.56Å; Y71-F129 HydrophobicContact CD2-CE1 4.35Å; Y71-F129 HydrophobicContact CD2-CZ 4.17Å; Y71-F129 HydrophobicContact CG-CZ 4.34Å
72A92.3Very high91.7Very high2 Ų229 Ų292%0.01716%0.155CC..Hα-helixtrans-61.3-39.2-17800000112.5I68 V69 D70 A75 S76 L86 L122I68-A72 WeakPolarHBondContact O-CB 3.35Å; I68-A72 PolarHBondContact O-N 2.97Å; V69-A72 PolarHBondContact O-N 3.48Å; V69-A72 VanDerWaalsContact O-N 3.17Å; D70-A72 VanDerWaalsContact C-N 3.35Å; D70-A72 PolarHBondContact O-N 3.45Å; A72-A75 PolarHBondContact O-N 2.96Å; A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 3.36Å; A72-L86 HydrophobicContact CB-CD1 3.88Å; A72-L86 HydrophobicContact CB-CD2 4.01Å; A72-L122 HydrophobicContact CB-CD1 4.13Å
73L93.4Very high91.8Very high4 Ų429.5 Ų29.52%0.02116%0.157CC..Hα-helixtrans-67.1-32.7175.7-70.2-179.1000113.3P29 R30 V36 R41 V69 D70 Y71 S76 V78 I83 L86P29-L73 WeakPolarHBondContact CA-O 3.19Å; P29-L73 HydrophobicContact CB-CB 4.12Å; P29-L73 HydrophobicContact CG-CB 4.4Å; P29-L73 HydrophobicContact CG-CD1 4.34Å; R30-L73 PolarHBondContact N-O 2.91Å; V36-L73 HydrophobicContact CB-CD2 3.76Å; V36-L73 HydrophobicContact CG1-CD1 4.06Å; V36-L73 HydrophobicContact CG1-CD2 3.98Å; V36-L73 HydrophobicContact CG2-CD2 3.94Å; R41-L73 HydrophobicContact CB-CD1 4.01Å; R41-L73 HydrophobicContact CG-CD1 3.51Å; V69-L73 HydrophobicContact CG1-CD1 3.93Å; V69-L73 HydrophobicContact CG1-CG 4.23Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 2.92Å; D70-L73 PolarHBondContact O-N 3.46Å; Y71-L73 VanDerWaalsContact C-N 3.32Å; Y71-L73 PolarHBondContact O-N 2.94Å; L73-S76 VanDerWaalsContact O-O 3.07Å; L73-V78 HydrophobicContact CD2-CB 3.72Å; L73-V78 HydrophobicContact CD2-CG1 4.36Å; L73-V78 HydrophobicContact CD2-CG2 3.85Å; L73-I83 HydrophobicContact CD1-CD1 4.21Å; L73-I83 HydrophobicContact CD2-CD1 4.16Å; L73-L86 HydrophobicContact CD2-CD2 4.23Å; L73-L86 HydrophobicContact CG-CD2 4.42Å
74S90.1Very high91.8Very high9 Ų935.1 Ų35.16%0.06318%0.179CC..Hα-helixtrans-76-39174.879.80000112W24 G28 R30 D70 Y71W24-S74 WeakPolarHBondContact CB-OG 3.4Å; G28-S74 VanDerWaalsContact O-CA 3.29Å; G28-S74 WeakPolarHBondContact O-CA 3.37Å; G28-S74 WeakPolarHBondContact O-CB 3.22Å; R30-S74 PolarHBondContact NE-O 2.88Å; D70-S74 WeakPolarHBondContact O-CB 3.45Å; D70-S74 PolarHBondContact O-N 3.24Å; Y71-S74 PolarHBondContact O-N 3.43Å; Y71-S74 VanDerWaalsContact O-N 3.12Å; Y71-S74 PolarHBondContact O-OG 3.17Å
75A88.8Confident91.7Very high27 Ų2734.6 Ų34.622%0.22317%0.173CC..Hα-helixtrans-76.8-33.2-175.100000111.7R30 Y71 A72 L122R30-A75 PolarHBondContact NE-O 3.44Å; R30-A75 PolarHBondContact NH2-O 3.04Å; Y71-A75 HydrophobicContact CD1-CB 4.3Å; Y71-A75 HydrophobicContact CE1-CB 3.92Å; Y71-A75 WeakPolarHBondContact O-CB 3.18Å; Y71-A75 PolarHBondContact O-N 3.12Å; A72-A75 PolarHBondContact O-N 2.96Å; A75-L122 HydrophobicContact CB-CD2 4.22Å
76S87.8Confident91.6Very high31 Ų3134.8 Ų34.822%0.21717%0.174CC..SBendtrans-136.4152-170.472.40000113.2A72 L73 V78A72-S76 PolarHBondContact O-N 3.36Å; A72-S76 PolarHBondContact O-OG 3.36Å; L73-S76 VanDerWaalsContact O-O 3.07Å; S76-V78 PolarHBondContact O-N 2.74Å; S76-V78 VanDerWaalsContact O-N 3.09Å; S76-V78 VanDerWaalsContact OG-CG2 3.29Å; S76-V78 WeakPolarHBondContact OG-CG2 3.46Å
77G87.7Confident91.5Very high39 Ų3934.8 Ų34.840%0.40217%0.174SC..  trans-80.882.1173.400000110.3L35 Q79L35-G77 WeakPolarHBondContact CD2-O 3.39Å; G77-Q79 PolarHBondContact O-N 3.36Å
78V91.4Very high91.4Very high21 Ų2135 Ų3513%0.12718%0.175CC..  trans-75.4125179.4-176.20000109.6L35 V36 L73 S76 L86L35-V78 WeakPolarHBondContact CA-O 3.41Å; V36-V78 HydrophobicContact CG2-CB 4.26Å; V36-V78 HydrophobicContact CG2-CG1 4.13Å; V36-V78 WeakPolarHBondContact CG2-O 3.2Å; V36-V78 PolarHBondContact N-O 3.45Å; L73-V78 HydrophobicContact CD2-CB 3.72Å; L73-V78 HydrophobicContact CD2-CG1 4.36Å; L73-V78 HydrophobicContact CD2-CG2 3.85Å; S76-V78 PolarHBondContact O-N 2.74Å; S76-V78 VanDerWaalsContact O-N 3.09Å; S76-V78 VanDerWaalsContact OG-CG2 3.29Å; S76-V78 WeakPolarHBondContact OG-CG2 3.46Å; V78-L86 HydrophobicContact CG1-CD2 4.18Å; V78-L86 HydrophobicContact CG2-CD2 4.1Å
79Q91.6Very high91.2Very high90 Ų9034.8 Ų34.842%0.42118%0.175SC..BIsolated β-bridgetrans-70140.2173.2-64.8-179.2-11.400110.3G34 G77 K81 Y82G34-Q79 CarbonylContact O-C 3.24Å; G34-Q79 WeakPolarHBondContact O-CA 3.33Å; G77-Q79 PolarHBondContact O-N 3.36Å; Q79-K81 HydrophobicContact CB-CG 4.16Å; Q79-K81 PolarHBondContact O-N 2.96Å; Q79-K81 VanDerWaalsContact O-N 3.11Å; Q79-Y82 HydrophobicContact CB-CD2 3.89Å; Q79-Y82 HydrophobicContact CB-CE2 4.18Å; Q79-Y82 PolarHBondContact O-N 3Å
80N90.1Very high91.1Very high65 Ų6534.8 Ų34.835%0.34818%0.175SC..G310 helixtrans-53.6-35.5-175.662.74000114G34 V36 E40 Y82 I83G34-N80 PolarHBondContact O-N 3.3Å; V36-N80 HydrophobicContact CG2-CB 4.48Å; E40-N80 WeakPolarHBondContact OE1-CB 3.49Å; E40-N80 PolarHBondContact OE1-ND2 3.41Å; N80-Y82 PolarHBondContact O-N 2.89Å; N80-I83 WeakPolarHBondContact O-CG2 3.37Å; N80-I83 PolarHBondContact O-N 2.6Å; N80-I83 VanDerWaalsContact O-N 3.16Å
81K90.4Very high90.9Very high131 Ų13134.4 Ų34.457%0.5717%0.173SC*.G310 helixtrans-58.8-20.9175.860.7170.2166169.90114.8Q79Q79-K81 HydrophobicContact CB-CG 4.16Å; Q79-K81 PolarHBondContact O-N 2.96Å; Q79-K81 VanDerWaalsContact O-N 3.11Å
82Y91.2Very high90.6Very high103 Ų10332.1 Ų32.140%0.40416%0.164SC..G310 helixtrans-99.6-4-178.3-58.7-55.4000113.9Q79 N80 R84 C85 L86Q79-Y82 HydrophobicContact CB-CD2 3.89Å; Q79-Y82 HydrophobicContact CB-CE2 4.18Å; Q79-Y82 PolarHBondContact O-N 3Å; N80-Y82 PolarHBondContact O-N 2.89Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3Å; Y82-C85 WeakPolarHBondContact O-CB 3.35Å; Y82-C85 PolarHBondContact O-N 3.33Å; Y82-C85 VanDerWaalsContact O-N 3.12Å; Y82-L86 WeakPolarHBondContact O-CB 3.47Å; Y82-L86 PolarHBondContact O-N 3.03Å
83I93.3Very high90.3Very high13 Ų1332.2 Ų32.27%0.06716%0.164CC..Hα-helixtrans-61-38.6-173.2-170.251.8000113.3V36 A44 V69 L73 N80 L86 A87V36-I83 HydrophobicContact CG1-CD1 3.99Å; V36-I83 HydrophobicContact CG1-CG1 4.06Å; V36-I83 HydrophobicContact CG2-CB 3.81Å; V36-I83 HydrophobicContact CG2-CD1 4.06Å; V36-I83 HydrophobicContact CG2-CG1 4.11Å; A44-I83 HydrophobicContact CB-CB 4.45Å; A44-I83 HydrophobicContact CB-CD1 4.49Å; A44-I83 HydrophobicContact CB-CG1 3.53Å; A44-I83 HydrophobicContact CB-CG2 4.11Å; V69-I83 HydrophobicContact CG1-CD1 3.97Å; L73-I83 HydrophobicContact CD1-CD1 4.21Å; L73-I83 HydrophobicContact CD2-CD1 4.16Å; N80-I83 WeakPolarHBondContact O-CG2 3.37Å; N80-I83 PolarHBondContact O-N 2.6Å; N80-I83 VanDerWaalsContact O-N 3.16Å; I83-L86 HydrophobicContact CD1-CD2 4.16Å; I83-L86 PolarHBondContact O-N 3.36Å; I83-A87 WeakPolarHBondContact O-CB 3.31Å; I83-A87 PolarHBondContact O-N 3.06Å
84R91.9Very high90Very high120 Ų12032.3 Ų32.345%0.45317%0.165SC..Hα-helixtrans-69.2-37177.4-70.2-171.7-176.1177.81.2112.3W47 Y82 A87 L88 F107W47-R84 HydrophobicContact CE3-CB 4.2Å; W47-R84 HydrophobicContact CE3-CG 3.92Å; W47-R84 HydrophobicContact CH2-CB 3.81Å; W47-R84 HydrophobicContact CH2-CG 4.25Å; W47-R84 HydrophobicContact CZ3-CB 3.51Å; W47-R84 HydrophobicContact CZ3-CG 3.76Å; W47-R84 WeakPolarHBondContact CZ3-O 3.45Å; Y82-R84 VanDerWaalsContact C-N 3.32Å; Y82-R84 PolarHBondContact O-N 3Å; R84-A87 PolarHBondContact O-N 3.4Å; R84-L88 PolarHBondContact O-N 3.22Å; R84-F107 HydrophobicContact CB-CE2 4.46Å; R84-F107 HydrophobicContact CB-CZ 4.22Å
85C89.7Confident89.8Confident6 Ų632 Ų324%0.04116%0.162CC..Hα-helixtrans-66.8-44.8174.7-1770000110.6Y82 A87 L88 S89 F107 M115Y82-C85 WeakPolarHBondContact O-CB 3.35Å; Y82-C85 PolarHBondContact O-N 3.33Å; Y82-C85 VanDerWaalsContact O-N 3.12Å; C85-A87 PolarHBondContact O-N 2.75Å; C85-L88 PolarHBondContact O-N 3.35Å; C85-S89 VanDerWaalsContact O-CB 3.27Å; C85-S89 WeakPolarHBondContact O-CB 3.43Å; C85-S89 PolarHBondContact O-N 3.39Å; C85-S89 PolarHBondContact O-OG 3.22Å; C85-F107 VanDerWaalsContact CA-CE2 3.43Å; C85-F107 HydrophobicContact CB-CD1 4.31Å; C85-F107 HydrophobicContact CB-CD2 4.21Å; C85-F107 HydrophobicContact CB-CE1 3.91Å; C85-F107 HydrophobicContact CB-CE2 3.81Å; C85-F107 HydrophobicContact CB-CG 4.46Å; C85-F107 HydrophobicContact CB-CZ 3.65Å; C85-M115 HydrophobicContact CB-CE 4.2Å
86L92Very high89.4Confident4 Ų434.2 Ų34.22%0.02117%0.167CC..Hα-helixtrans-56.7-49.4173176.661.8000110.9V69 A72 L73 V78 Y82 I83 S89 S90 I119V69-L86 HydrophobicContact CG1-CD2 4.18Å; V69-L86 HydrophobicContact CG1-CG 4.5Å; V69-L86 HydrophobicContact CG2-CG 4.42Å; A72-L86 HydrophobicContact CB-CD1 3.88Å; A72-L86 HydrophobicContact CB-CD2 4.01Å; L73-L86 HydrophobicContact CD2-CD2 4.23Å; L73-L86 HydrophobicContact CG-CD2 4.42Å; V78-L86 HydrophobicContact CG1-CD2 4.18Å; V78-L86 HydrophobicContact CG2-CD2 4.1Å; Y82-L86 WeakPolarHBondContact O-CB 3.47Å; Y82-L86 PolarHBondContact O-N 3.03Å; I83-L86 HydrophobicContact CD1-CD2 4.16Å; I83-L86 PolarHBondContact O-N 3.36Å; L86-S89 PolarHBondContact O-N 3.19Å; L86-S90 WeakPolarHBondContact O-CB 3.49Å; L86-S90 PolarHBondContact O-N 2.93Å; L86-S90 PolarHBondContact O-OG 3.49Å; L86-I119 HydrophobicContact CD1-CD1 3.84Å; L86-I119 HydrophobicContact CD1-CG1 3.79Å
87A92Very high88.7Confident0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-59.1-50.1179.100000112.5W47 M48 V69 I83 R84 C85 S89 S90 L91W47-A87 HydrophobicContact CZ3-CB 4.38Å; M48-A87 HydrophobicContact CB-CB 4.16Å; M48-A87 HydrophobicContact CG-CB 4.33Å; M48-A87 HydrophobicContact SD-CB 3.87Å; V69-A87 HydrophobicContact CG2-CB 4.36Å; I83-A87 WeakPolarHBondContact O-CB 3.31Å; I83-A87 PolarHBondContact O-N 3.06Å; R84-A87 PolarHBondContact O-N 3.4Å; C85-A87 PolarHBondContact O-N 2.75Å; A87-S89 VanDerWaalsContact C-N 3.32Å; A87-S89 PolarHBondContact O-N 2.97Å; A87-S90 WeakPolarHBondContact O-CB 3.39Å; A87-S90 PolarHBondContact O-N 2.85Å; A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 PolarHBondContact O-N 3.31Å
88L90.6Very high87.9Confident4 Ų440 Ų402%0.02118%0.184CC..Hα-helixtrans-63.4-37.4176.1-79.1-178.2000113.1W47 V51 R84 C85 L91 Y92 F107W47-L88 HydrophobicContact CH2-CD1 3.49Å; W47-L88 VanDerWaalsContact CH2-CD1 3.49Å; W47-L88 HydrophobicContact CH2-CD2 4.03Å; W47-L88 HydrophobicContact CH2-CG 3.43Å; W47-L88 VanDerWaalsContact CH2-CG 3.43Å; W47-L88 HydrophobicContact CZ2-CD1 4.13Å; W47-L88 HydrophobicContact CZ2-CG 4.31Å; W47-L88 HydrophobicContact CZ3-CD1 4.4Å; W47-L88 HydrophobicContact CZ3-CD2 4.43Å; W47-L88 HydrophobicContact CZ3-CG 3.87Å; V51-L88 HydrophobicContact CB-CD2 4.49Å; V51-L88 HydrophobicContact CG1-CD2 3.9Å; R84-L88 PolarHBondContact O-N 3.22Å; C85-L88 PolarHBondContact O-N 3.35Å; L88-L91 HydrophobicContact CD2-CD2 4.36Å; L88-L91 PolarHBondContact O-N 3.03Å; L88-Y92 VanDerWaalsContact O-CB 3.26Å; L88-Y92 WeakPolarHBondContact O-CB 3.47Å; L88-Y92 PolarHBondContact O-N 2.9Å; L88-F107 HydrophobicContact CD1-CD2 3.78Å; L88-F107 HydrophobicContact CD1-CE2 3.82Å
89S90.2Very high86.5Confident0 Ų042.7 Ų42.70%020%0.195CC..Hα-helixtrans-66.9-40.2177.8-54.70000111.3C85 L86 A87 Y92 T93 L112 M115 I119C85-S89 VanDerWaalsContact O-CB 3.27Å; C85-S89 WeakPolarHBondContact O-CB 3.43Å; C85-S89 PolarHBondContact O-N 3.39Å; C85-S89 PolarHBondContact O-OG 3.22Å; L86-S89 PolarHBondContact O-N 3.19Å; A87-S89 VanDerWaalsContact C-N 3.32Å; A87-S89 PolarHBondContact O-N 2.97Å; S89-Y92 PolarHBondContact O-N 3.35Å; S89-T93 WeakPolarHBondContact O-CB 3.45Å; S89-T93 PolarHBondContact O-N 3.38Å; S89-T93 PolarHBondContact O-OG1 3.21Å; S89-L112 WeakPolarHBondContact OG-CD1 3.45Å; S89-M115 WeakPolarHBondContact OG-CB 3.19Å; S89-M115 WeakPolarHBondContact OG-CG 3.4Å; S89-I119 VanDerWaalsContact CB-CD1 3.41Å
90S92.2Very high84.6Confident0 Ų047.8 Ų47.80%022%0.219CC..Hα-helixtrans-62.4-46.6172.2-62.60000111.1A65 I68 V69 L86 A87 Y92 T93 T94A65-S90 WeakPolarHBondContact O-CB 3.4Å; I68-S90 VanDerWaalsContact CG2-OG 3.23Å; I68-S90 WeakPolarHBondContact CG2-OG 3.35Å; V69-S90 WeakPolarHBondContact CG2-OG 3.47Å; L86-S90 WeakPolarHBondContact O-CB 3.49Å; L86-S90 PolarHBondContact O-N 2.93Å; L86-S90 PolarHBondContact O-OG 3.49Å; A87-S90 WeakPolarHBondContact O-CB 3.39Å; A87-S90 PolarHBondContact O-N 2.85Å; S90-Y92 VanDerWaalsContact C-N 3.35Å; S90-Y92 PolarHBondContact O-N 3.04Å; S90-T93 PolarHBondContact O-N 3.48Å; S90-T94 WeakPolarHBondContact O-CB 3.23Å; S90-T94 PolarHBondContact O-N 2.79Å; S90-T94 PolarHBondContact O-OG1 2.86Å; S90-T94 VanDerWaalsContact O-OG1 3.08Å
91L89.8Confident82.7Confident0 Ų046.5 Ų46.50%021%0.214CC..Hα-helixtrans-57.2-50.7176.8-171.571.3000110.6M48 V51 A52 L57 I61 A65 A87 L88 T93 T94 T95M48-L91 HydrophobicContact CG-CB 4.03Å; M48-L91 HydrophobicContact CG-CD1 4.09Å; M48-L91 HydrophobicContact CG-CD2 4.15Å; M48-L91 HydrophobicContact CG-CG 4.33Å; M48-L91 HydrophobicContact SD-CB 4.06Å; M48-L91 HydrophobicContact SD-CD1 4.46Å; V51-L91 HydrophobicContact CG1-CD2 4.13Å; A52-L91 HydrophobicContact CB-CD1 3.96Å; A52-L91 HydrophobicContact CB-CD2 4.31Å; L57-L91 HydrophobicContact CD1-CD1 4.15Å; L57-L91 HydrophobicContact CD1-CD2 4.16Å; L57-L91 HydrophobicContact CD1-CG 4.14Å; I61-L91 HydrophobicContact CG2-CD1 3.78Å; A65-L91 HydrophobicContact CB-CB 4.29Å; A65-L91 HydrophobicContact CB-CD1 4.12Å; A87-L91 WeakPolarHBondContact O-CB 3.44Å; A87-L91 PolarHBondContact O-N 3.31Å; L88-L91 HydrophobicContact CD2-CD2 4.36Å; L88-L91 PolarHBondContact O-N 3.03Å; L91-T93 PolarHBondContact O-N 2.97Å; L91-T94 PolarHBondContact O-N 2.84Å; L91-T95 VanDerWaalsContact O-CB 3.31Å; L91-T95 WeakPolarHBondContact O-CB 3.41Å; L91-T95 PolarHBondContact O-N 2.97Å; L91-T95 PolarHBondContact O-OG1 3.48Å
92Y85.8Confident80.9Confident6 Ų646.6 Ų46.62%0.02422%0.216CC..Hα-helixtrans-59.8-44.3178.6-174.4-111.5000112.7L88 S89 S90 T95 K96 V103 L112 F242 L245L88-Y92 VanDerWaalsContact O-CB 3.26Å; L88-Y92 WeakPolarHBondContact O-CB 3.47Å; L88-Y92 PolarHBondContact O-N 2.9Å; S89-Y92 PolarHBondContact O-N 3.35Å; S90-Y92 VanDerWaalsContact C-N 3.35Å; S90-Y92 PolarHBondContact O-N 3.04Å; Y92-T95 PolarHBondContact O-N 3.41Å; Y92-K96 HydrophobicContact CE1-CD 4.1Å; Y92-K96 PolarHBondContact O-N 2.93Å; Y92-K96 VanDerWaalsContact O-N 3.07Å; Y92-K96 WeakPolarHBondContact OH-CE 3.3Å; Y92-V103 HydrophobicContact CD2-CB 3.88Å; Y92-V103 HydrophobicContact CD2-CG2 3.57Å; Y92-V103 HydrophobicContact CE2-CB 4.42Å; Y92-V103 HydrophobicContact CE2-CG2 4.11Å; Y92-L112 HydrophobicContact CD1-CD2 3.83Å; Y92-L112 HydrophobicContact CD1-CG 4.18Å; Y92-L112 HydrophobicContact CD2-CD2 4.28Å; Y92-L112 HydrophobicContact CE1-CD2 4.15Å; Y92-L112 HydrophobicContact CG-CD2 3.91Å; Y92-L112 HydrophobicContact CG-CG 4.5Å; Y92-F242 HydrophobicContact CE2-CD2 4.48Å; Y92-L245 HydrophobicContact CD1-CD2 4.14Å; Y92-L245 HydrophobicContact CE1-CD1 4.32Å; Y92-L245 HydrophobicContact CE1-CD2 3.14Å; Y92-L245 HydrophobicContact CE1-CG 3.65Å; Y92-L245 HydrophobicContact CE2-CD2 4.1Å; Y92-L245 WeakPolarHBondContact OH-CD2 3.44Å; Y92-L245 WeakPolarHBondContact OH-CG 3.42Å
93T86.1Confident79.3Confident4 Ų442.9 Ų42.93%0.02520%0.204CC..Hα-helixtrans-62.5-48.1177.4-54.80000111.1I68 S89 S90 L91 T95 K96 M97 L120 L127I68-T93 HydrophobicContact CD1-CG2 4.33Å; S89-T93 WeakPolarHBondContact O-CB 3.45Å; S89-T93 PolarHBondContact O-N 3.38Å; S89-T93 PolarHBondContact O-OG1 3.21Å; S90-T93 PolarHBondContact O-N 3.48Å; L91-T93 PolarHBondContact O-N 2.97Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.94Å; T93-K96 PolarHBondContact O-N 2.94Å; T93-M97 WeakPolarHBondContact O-CG 3.24Å; T93-M97 PolarHBondContact O-N 3.26Å; T93-L120 HydrophobicContact CG2-CD2 4.03Å; T93-L127 HydrophobicContact CG2-CD2 4.25Å
94T87.8Confident77.9Confident5 Ų548.4 Ų48.43%0.03122%0.224CC..Hα-helixtrans-64.4-39.8178.1-64.80000112I61 A64 A65 I68 S90 L91 M97 L98I61-T94 HydrophobicContact CD1-CG2 4.47Å; I61-T94 HydrophobicContact CG2-CG2 4.04Å; I61-T94 WeakPolarHBondContact O-CG2 3.18Å; A64-T94 HydrophobicContact CB-CG2 3.45Å; A64-T94 VanDerWaalsContact CB-CG2 3.45Å; A65-T94 VanDerWaalsContact CA-OG1 3.29Å; A65-T94 WeakPolarHBondContact CA-OG1 3.4Å; A65-T94 PolarHBondContact N-OG1 3.26Å; I68-T94 VanDerWaalsContact CD1-OG1 3.24Å; I68-T94 WeakPolarHBondContact CD1-OG1 3.49Å; S90-T94 WeakPolarHBondContact O-CB 3.23Å; S90-T94 PolarHBondContact O-N 2.79Å; S90-T94 PolarHBondContact O-OG1 2.86Å; S90-T94 VanDerWaalsContact O-OG1 3.08Å; L91-T94 PolarHBondContact O-N 2.84Å; T94-M97 WeakPolarHBondContact O-CB 3.29Å; T94-M97 PolarHBondContact O-N 3.2Å; T94-L98 HydrophobicContact CG2-CD1 3.66Å; T94-L98 PolarHBondContact O-N 3.14Å
95T85.1Confident76.6Confident2 Ų243.7 Ų43.71%0.01221%0.21CC..Hα-helixtrans-57.5-56.9177.2-53.90000108.6L57 I61 L91 Y92 T93 M97 L98 E99 P101 V103L57-T95 HydrophobicContact CD2-CG2 4.09Å; I61-T95 WeakPolarHBondContact CG2-OG1 3.29Å; L91-T95 VanDerWaalsContact O-CB 3.31Å; L91-T95 WeakPolarHBondContact O-CB 3.41Å; L91-T95 PolarHBondContact O-N 2.97Å; L91-T95 PolarHBondContact O-OG1 3.48Å; Y92-T95 PolarHBondContact O-N 3.41Å; T93-T95 VanDerWaalsContact C-N 3.33Å; T93-T95 PolarHBondContact O-N 2.94Å; T95-M97 PolarHBondContact O-N 3.11Å; T95-L98 PolarHBondContact O-N 3.31Å; T95-E99 CarbonylContact C-O 3.58Å; T95-E99 VanDerWaalsContact C-O 3.24Å; T95-E99 CarbonylContact O-C 3.44Å; T95-E99 PolarHBondContact O-N 3.41Å; T95-P101 HydrophobicContact CG2-CG 3.21Å; T95-V103 HydrophobicContact CG2-CG2 4.48Å
96K80Confident75.8Confident75 Ų7548 Ų4833%0.32623%0.232SC..Hα-helixtrans-50.5-31.7176.7-74.6178.3175.4168.50115.6Y92 T93 E116Y92-K96 HydrophobicContact CE1-CD 4.1Å; Y92-K96 PolarHBondContact O-N 2.93Å; Y92-K96 VanDerWaalsContact O-N 3.07Å; Y92-K96 WeakPolarHBondContact OH-CE 3.3Å; T93-K96 PolarHBondContact O-N 2.94Å; K96-E116 VanDerWaalsContact NZ-CD 3.32Å; K96-E116 IonicContact NZ-OE1 2.7Å; K96-E116 PolarHBondContact NZ-OE1 3.49Å; K96-E116 IonicContact NZ-OE2 3.14Å; K96-E116 PolarHBondContact NZ-OE2 3.17Å; K96-E116 VanDerWaalsContact NZ-OE2 3.14Å
97M74.1Confident75Confident98 Ų9850.2 Ų50.248%0.48324%0.241SC..Hα-helixtrans-76.3-31.8-180-71.8-173.77800113.4T93 T94 T95 L127T93-M97 WeakPolarHBondContact O-CG 3.24Å; T93-M97 PolarHBondContact O-N 3.26Å; T94-M97 WeakPolarHBondContact O-CB 3.29Å; T94-M97 PolarHBondContact O-N 3.2Å; T95-M97 PolarHBondContact O-N 3.11Å; M97-L127 HydrophobicContact CE-CB 3.22Å; M97-L127 HydrophobicContact CE-CD1 3.83Å; M97-L127 HydrophobicContact CE-CG 4.04Å; M97-L127 HydrophobicContact SD-CB 3.41Å; M97-L127 WeakPolarHBondContact SD-CB 3.42Å; M97-L127 HydrophobicContact SD-CD1 3.55Å; M97-L127 VanDerWaalsContact SD-CD1 3.55Å; M97-L127 HydrophobicContact SD-CD2 3.69Å; M97-L127 HydrophobicContact SD-CG 3.72Å
98L70.4Confident74.4Confident93 Ų9352.9 Ų52.949%0.48726%0.26SS..Hα-helixtrans-110.5-31.9-168.9-69.2167.5000112I61 A64 T94 T95I61-L98 HydrophobicContact CD1-CB 3.43Å; I61-L98 VanDerWaalsContact CD1-CB 3.43Å; I61-L98 HydrophobicContact CD1-CD1 3.59Å; I61-L98 HydrophobicContact CD1-CG 4.13Å; A64-L98 HydrophobicContact CB-CD1 4.26Å; T94-L98 HydrophobicContact CG2-CD1 3.66Å; T94-L98 PolarHBondContact O-N 3.14Å; T95-L98 PolarHBondContact O-N 3.31Å
99E63.2Low73.7Confident78 Ų7853.3 Ų53.336%0.36426%0.263SS..  trans-148.6157.3-177.5-58.1-168.9138.100112.5A58 I61 T95 P101A58-E99 VanDerWaalsContact CB-OE1 3.28Å; A58-E99 WeakPolarHBondContact CB-OE1 3.48Å; A58-E99 PolarHBondContact N-OE2 2.74Å; I61-E99 HydrophobicContact CD1-CG 4.38Å; T95-E99 CarbonylContact C-O 3.58Å; T95-E99 VanDerWaalsContact C-O 3.24Å; T95-E99 CarbonylContact O-C 3.44Å; T95-E99 PolarHBondContact O-N 3.41Å; E99-P101 HydrophobicContact CB-CG 4.21Å; E99-P101 WeakPolarHBondContact O-CD 3.34Å
100E51.7Low73.1Confident197 Ų19759.1 Ų59.192%0.92129%0.29SS*.  trans-103.466.7170.7-68.3-173.5162.500114.7
101P48.3Very low72.6Confident37 Ų3763.3 Ų63.324%0.2431%0.309CS..  trans-111.6163.4173.838.6-33.8000115.2L57 T95 E99L57-P101 HydrophobicContact CD2-CB 4.07Å; L57-P101 HydrophobicContact CD2-CG 3.41Å; L57-P101 VanDerWaalsContact CD2-CG 3.41Å; T95-P101 HydrophobicContact CG2-CG 3.21Å; E99-P101 HydrophobicContact CB-CG 4.21Å; E99-P101 WeakPolarHBondContact O-CD 3.34Å
102E54.4Low72.1Confident133 Ų13363.8 Ų63.862%0.62131%0.312SS*.  trans-79.7123179.6-62.2179.7176.400111.7
103V56.2Low71.9Confident26 Ų2664.4 Ų64.416%0.15832%0.315CS..  trans-105123.9179.8-166.20000109.5L55 Y92 T95L55-V103 HydrophobicContact CD1-CB 4.18Å; L55-V103 HydrophobicContact CD1-CG1 3.49Å; L55-V103 VanDerWaalsContact CD1-CG1 3.49Å; Y92-V103 HydrophobicContact CD2-CB 3.88Å; Y92-V103 HydrophobicContact CD2-CG2 3.57Å; Y92-V103 HydrophobicContact CE2-CB 4.42Å; Y92-V103 HydrophobicContact CE2-CG2 4.11Å; T95-V103 HydrophobicContact CG2-CG2 4.48Å
104R63.8Low71.9Confident129 Ų12971.1 Ų71.149%0.48734%0.34SS..  trans-78.4127.6174.9-62.6174.367.4-168-0.6109.4L55L55-R104 HydrophobicContact CD2-CB 3.96Å; L55-R104 HydrophobicContact CD2-CG 3.73Å
105C64.5Low72Confident21 Ų2172.6 Ų72.614%0.14235%0.347CS..  trans-121.9136.2-170.4-162.70000112.7F107C105-F107 VanDerWaalsContact C-N 3.33Å; C105-F107 PolarHBondContact SG-N 2.85Å; C105-F107 PolarHBondContact SG-O 2.87Å
106L73.7Confident71.9Confident96 Ų9672.9 Ų72.950%0.50335%0.348SS..SBendtrans-80.1-16.1170-64.6176.7000113W47 A236W47-L106 HydrophobicContact CZ2-CD1 3.84Å; L106-A236 HydrophobicContact CD2-CB 3.77Å
107F76Confident72.2Confident51 Ų5173.3 Ų73.322%0.22435%0.348CS..SBendtrans-103.4155.6-178-58.8-77.8000110.1R84 C85 L88 C105 E111R84-F107 HydrophobicContact CB-CE2 4.46Å; R84-F107 HydrophobicContact CB-CZ 4.22Å; C85-F107 VanDerWaalsContact CA-CE2 3.43Å; C85-F107 HydrophobicContact CB-CD1 4.31Å; C85-F107 HydrophobicContact CB-CD2 4.21Å; C85-F107 HydrophobicContact CB-CE1 3.91Å; C85-F107 HydrophobicContact CB-CE2 3.81Å; C85-F107 HydrophobicContact CB-CG 4.46Å; C85-F107 HydrophobicContact CB-CZ 3.65Å; L88-F107 HydrophobicContact CD1-CD2 3.78Å; L88-F107 HydrophobicContact CD1-CE2 3.82Å; C105-F107 VanDerWaalsContact C-N 3.33Å; C105-F107 PolarHBondContact SG-N 2.85Å; C105-F107 PolarHBondContact SG-O 2.87Å; F107-E111 HydrophobicContact CB-CB 4.26Å
108S79Confident72.9Confident55 Ų5571.9 Ų71.939%0.38534%0.344SS..  trans-63.4151.7172.867.40000111.3Q110 E111 L112S108-Q110 PolarHBondContact O-N 3.27Å; S108-E111 WeakPolarHBondContact CB-OE2 3.42Å; S108-E111 PolarHBondContact N-OE2 3.09Å; S108-E111 WeakPolarHBondContact O-CB 3.46Å; S108-E111 PolarHBondContact O-N 2.7Å; S108-E111 VanDerWaalsContact OG-CD 3.27Å; S108-E111 VanDerWaalsContact OG-CG 3.22Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 PolarHBondContact OG-OE2 3.18Å; S108-L112 PolarHBondContact O-N 3.21Å; S108-L112 VanDerWaalsContact O-N 3.1Å
109V75.6Confident73.6Confident14 Ų1467.5 Ų67.59%0.08532%0.322CS..Hα-helixtrans-50.4-43.1173.6-1750000111.2E111 L112 I113 C241 L245V109-E111 VanDerWaalsContact C-N 3.31Å; V109-E111 PolarHBondContact O-N 3.36Å; V109-L112 PolarHBondContact O-N 2.95Å; V109-I113 HydrophobicContact CG1-CD1 3.76Å; V109-I113 HydrophobicContact CG1-CG1 4.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.16Å; V109-I113 PolarHBondContact O-N 2.74Å; V109-C241 HydrophobicContact CG2-CB 3.41Å; V109-C241 VanDerWaalsContact CG2-CB 3.41Å; V109-C241 WeakPolarHBondContact CG2-SG 3.33Å; V109-L245 HydrophobicContact CG1-CB 4.19Å; V109-L245 HydrophobicContact CG1-CD1 4.29Å; V109-L245 HydrophobicContact CG1-CD2 4.37Å
110Q78Confident74.8Confident121 Ų12164.4 Ų64.457%0.56531%0.307SS*.Hα-helixtrans-65.2-35.6-177.5-61-173.26.400112.5S108 R114S108-Q110 PolarHBondContact O-N 3.27Å; Q110-R114 WeakPolarHBondContact O-CB 3.47Å; Q110-R114 WeakPolarHBondContact O-CG 3.28Å; Q110-R114 PolarHBondContact O-N 3.5Å
111E80.6Confident76.5Confident88 Ų8861.8 Ų61.841%0.41130%0.295SS..Hα-helixtrans-67-44.7174.1-73164.9128.900110.9F107 S108 V109 I113 R114 M115F107-E111 HydrophobicContact CB-CB 4.26Å; S108-E111 WeakPolarHBondContact CB-OE2 3.42Å; S108-E111 PolarHBondContact N-OE2 3.09Å; S108-E111 WeakPolarHBondContact O-CB 3.46Å; S108-E111 PolarHBondContact O-N 2.7Å; S108-E111 VanDerWaalsContact OG-CD 3.27Å; S108-E111 VanDerWaalsContact OG-CG 3.22Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 PolarHBondContact OG-OE2 3.18Å; V109-E111 VanDerWaalsContact C-N 3.31Å; V109-E111 PolarHBondContact O-N 3.36Å; E111-I113 PolarHBondContact O-N 3.13Å; E111-R114 PolarHBondContact O-N 2.93Å; E111-M115 WeakPolarHBondContact O-CB 3.27Å; E111-M115 PolarHBondContact O-N 3.47Å
112L80.2Confident78.1Confident10 Ų1062.3 Ų62.35%0.05230%0.296CS..Hα-helixtrans-61.1-45.6177.5-166.567.9000111.4S89 Y92 S108 V109 R114 M115 E116 L245S89-L112 WeakPolarHBondContact OG-CD1 3.45Å; Y92-L112 HydrophobicContact CD1-CD2 3.83Å; Y92-L112 HydrophobicContact CD1-CG 4.18Å; Y92-L112 HydrophobicContact CD2-CD2 4.28Å; Y92-L112 HydrophobicContact CE1-CD2 4.15Å; Y92-L112 HydrophobicContact CG-CD2 3.91Å; Y92-L112 HydrophobicContact CG-CG 4.5Å; S108-L112 PolarHBondContact O-N 3.21Å; S108-L112 VanDerWaalsContact O-N 3.1Å; V109-L112 PolarHBondContact O-N 2.95Å; L112-R114 PolarHBondContact O-N 3.44Å; L112-M115 PolarHBondContact O-N 3.39Å; L112-E116 VanDerWaalsContact O-CB 3.26Å; L112-E116 WeakPolarHBondContact O-CB 3.26Å; L112-E116 PolarHBondContact O-N 3.22Å; L112-L245 HydrophobicContact CD2-CD2 3.79Å
113I81Confident79.4Confident19 Ų1956.1 Ų56.110%0.09727%0.267CS..Hα-helixtrans-59.3-45.1174.7-72.3172.6000111.6V109 E111 M115 R117 L245 A248V109-I113 HydrophobicContact CG1-CD1 3.76Å; V109-I113 HydrophobicContact CG1-CG1 4.23Å; V109-I113 WeakPolarHBondContact O-CG1 3.16Å; V109-I113 PolarHBondContact O-N 2.74Å; E111-I113 PolarHBondContact O-N 3.13Å; I113-M115 VanDerWaalsContact C-N 3.32Å; I113-R117 VanDerWaalsContact CG2-NH2 3.31Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.34Å; I113-R117 PolarHBondContact O-N 3.3Å; I113-L245 HydrophobicContact CB-CD1 4.41Å; I113-L245 HydrophobicContact CD1-CD1 3.57Å; I113-L245 HydrophobicContact CG1-CD1 3.06Å; I113-L245 HydrophobicContact CG1-CG 4.49Å; I113-A248 HydrophobicContact CD1-CB 4.36Å
114R87.1Confident80.7Confident145 Ų14560.2 Ų60.255%0.54729%0.288SS..Hα-helixtrans-62.4-45.1-179.8-77.6175.2-174.2115.52.3109.9Q110 E111 L112 R117 V118Q110-R114 WeakPolarHBondContact O-CB 3.47Å; Q110-R114 WeakPolarHBondContact O-CG 3.28Å; Q110-R114 PolarHBondContact O-N 3.5Å; E111-R114 PolarHBondContact O-N 2.93Å; L112-R114 PolarHBondContact O-N 3.44Å; R114-R117 PolarHBondContact O-N 3.36Å; R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.39Å; R114-V118 VanDerWaalsContact O-N 3.08Å
115M88.5Confident81.4Confident37 Ų3760.8 Ų60.818%0.18229%0.29CS..Hα-helixtrans-71.6-40.5-178.9-166.96674.800112.5C85 S89 E111 L112 I113 R117 V118 I119C85-M115 HydrophobicContact CB-CE 4.2Å; S89-M115 WeakPolarHBondContact OG-CB 3.19Å; S89-M115 WeakPolarHBondContact OG-CG 3.4Å; E111-M115 WeakPolarHBondContact O-CB 3.27Å; E111-M115 PolarHBondContact O-N 3.47Å; L112-M115 PolarHBondContact O-N 3.39Å; I113-M115 VanDerWaalsContact C-N 3.32Å; M115-R117 VanDerWaalsContact C-N 3.31Å; M115-R117 PolarHBondContact O-N 3.26Å; M115-V118 WeakPolarHBondContact O-CB 3.33Å; M115-V118 PolarHBondContact O-N 3.44Å; M115-V118 VanDerWaalsContact O-N 3.12Å; M115-I119 HydrophobicContact CG-CD1 4.31Å; M115-I119 VanDerWaalsContact O-CG1 3.32Å; M115-I119 WeakPolarHBondContact O-CG1 3.41Å; M115-I119 PolarHBondContact O-N 3.46Å
116E83.9Confident82Confident8 Ų865.8 Ų65.84%0.03731%0.311CS..Hα-helixtrans-56.2-45.2171.9176.1176.2-163.500111K96 L112 V118 I119 L120 L249K96-E116 VanDerWaalsContact NZ-CD 3.32Å; K96-E116 IonicContact NZ-OE1 2.7Å; K96-E116 PolarHBondContact NZ-OE1 3.49Å; K96-E116 IonicContact NZ-OE2 3.14Å; K96-E116 PolarHBondContact NZ-OE2 3.17Å; K96-E116 VanDerWaalsContact NZ-OE2 3.14Å; L112-E116 VanDerWaalsContact O-CB 3.26Å; L112-E116 WeakPolarHBondContact O-CB 3.26Å; L112-E116 PolarHBondContact O-N 3.22Å; E116-V118 VanDerWaalsContact C-N 3.34Å; E116-V118 PolarHBondContact O-N 3.07Å; E116-I119 WeakPolarHBondContact O-CB 3.45Å; E116-I119 PolarHBondContact O-N 2.86Å; E116-L120 HydrophobicContact CG-CD1 3.85Å; E116-L120 HydrophobicContact CG-CG 4.38Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 2.86Å; E116-L249 WeakPolarHBondContact OE2-CD1 3.38Å
117R86.6Confident82.1Confident83 Ų8362.5 Ų62.531%0.31329%0.294SS..Hα-helixtrans-62-42.8175.1-73.2173.7-170.3161.26.2112.2I113 R114 M115 I119 L120 Q121 R252I113-R117 VanDerWaalsContact CG2-NH2 3.31Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.34Å; I113-R117 PolarHBondContact O-N 3.3Å; R114-R117 PolarHBondContact O-N 3.36Å; M115-R117 VanDerWaalsContact C-N 3.31Å; M115-R117 PolarHBondContact O-N 3.26Å; R117-I119 VanDerWaalsContact C-N 3.3Å; R117-I119 PolarHBondContact O-N 3.26Å; R117-L120 PolarHBondContact O-N 3.49Å; R117-Q121 VanDerWaalsContact O-CB 3.26Å; R117-Q121 WeakPolarHBondContact O-CB 3.22Å; R117-Q121 WeakPolarHBondContact O-CG 3.28Å; R117-Q121 PolarHBondContact O-N 2.85Å; R117-R252 VanDerWaalsContact NH2-NH1 3.2Å
118V88Confident82.2Confident68 Ų6865.6 Ų65.641%0.41231%0.313SS..Hα-helixtrans-60.5-44.5176.1169.30000110R114 M115 E116 Q121 L122R114-V118 WeakPolarHBondContact O-CG2 3.39Å; R114-V118 PolarHBondContact O-N 3.39Å; R114-V118 VanDerWaalsContact O-N 3.08Å; M115-V118 WeakPolarHBondContact O-CB 3.33Å; M115-V118 PolarHBondContact O-N 3.44Å; M115-V118 VanDerWaalsContact O-N 3.12Å; E116-V118 VanDerWaalsContact C-N 3.34Å; E116-V118 PolarHBondContact O-N 3.07Å; V118-Q121 PolarHBondContact O-N 3.46Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.26Å; V118-L122 VanDerWaalsContact O-CB 3.31Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 WeakPolarHBondContact O-CG 3.5Å; V118-L122 PolarHBondContact O-N 3.46Å
119I86.1Confident82.6Confident1 Ų164.7 Ų64.71%0.00530%0.302CS..Hα-helixtrans-59.5-53.8176.2-73.2168000110.9I68 L86 S89 M115 E116 R117 Q121 L122 L123I68-I119 HydrophobicContact CG2-CD1 4.43Å; I68-I119 HydrophobicContact CG2-CG1 4.43Å; I68-I119 HydrophobicContact CG2-CG2 3.38Å; L86-I119 HydrophobicContact CD1-CD1 3.84Å; L86-I119 HydrophobicContact CD1-CG1 3.79Å; S89-I119 VanDerWaalsContact CB-CD1 3.41Å; M115-I119 HydrophobicContact CG-CD1 4.31Å; M115-I119 VanDerWaalsContact O-CG1 3.32Å; M115-I119 WeakPolarHBondContact O-CG1 3.41Å; M115-I119 PolarHBondContact O-N 3.46Å; E116-I119 WeakPolarHBondContact O-CB 3.45Å; E116-I119 PolarHBondContact O-N 2.86Å; R117-I119 VanDerWaalsContact C-N 3.3Å; R117-I119 PolarHBondContact O-N 3.26Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.16Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 2.75Å; I119-L122 VanDerWaalsContact O-N 3.14Å; I119-L123 HydrophobicContact CG2-CD1 3.55Å; I119-L123 HydrophobicContact CG2-CG 4.31Å; I119-L123 WeakPolarHBondContact O-CB 3.35Å; I119-L123 WeakPolarHBondContact O-CG 3.03Å; I119-L123 PolarHBondContact O-N 2.79Å
120L87.2Confident83.3Confident13 Ų1364 Ų647%0.06830%0.298CS..Hα-helixtrans-63.2-35-177.7-68.6171000112.1T93 E116 R117 D124 W125 L127T93-L120 HydrophobicContact CG2-CD2 4.03Å; E116-L120 HydrophobicContact CG-CD1 3.85Å; E116-L120 HydrophobicContact CG-CG 4.38Å; E116-L120 WeakPolarHBondContact O-CB 3.37Å; E116-L120 VanDerWaalsContact O-CG 3.31Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 2.86Å; R117-L120 PolarHBondContact O-N 3.49Å; L120-D124 PolarHBondContact O-N 2.89Å; L120-W125 HydrophobicContact CB-CD2 4.4Å; L120-W125 HydrophobicContact CB-CZ2 4.25Å; L120-W125 HydrophobicContact CD1-CH2 3.74Å; L120-W125 HydrophobicContact CD1-CZ2 4.15Å; L120-W125 HydrophobicContact CD1-CZ3 3.95Å; L120-W125 HydrophobicContact CD2-CD2 4.47Å; L120-W125 HydrophobicContact CD2-CE3 4.06Å; L120-W125 HydrophobicContact CD2-CZ3 4.17Å; L120-W125 PolarHBondContact O-N 3.46Å; L120-L127 HydrophobicContact CD2-CD1 3.87Å
121Q87.2Confident83.9Confident142 Ų14258.6 Ų58.666%0.66427%0.273SS*.Hα-helixtrans-69.2-43.7173-75.4175.6-10.800112.3R117 V118 I119 L123 D124R117-Q121 VanDerWaalsContact O-CB 3.26Å; R117-Q121 WeakPolarHBondContact O-CB 3.22Å; R117-Q121 WeakPolarHBondContact O-CG 3.28Å; R117-Q121 PolarHBondContact O-N 2.85Å; V118-Q121 PolarHBondContact O-N 3.46Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.16Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 2.93Å; Q121-D124 PolarHBondContact O-N 3.08Å
122L83.6Confident84.3Confident49 Ų4954.4 Ų54.426%0.25725%0.254SS..Hα-helixtrans-59.7-44.3176.4-78.8169.3000110.5Y71 A72 A75 V118 I119 D124Y71-L122 HydrophobicContact CE1-CB 4.16Å; Y71-L122 WeakPolarHBondContact CE1-O 3.45Å; Y71-L122 PolarHBondContact OH-O 3.28Å; A72-L122 HydrophobicContact CB-CD1 4.13Å; A75-L122 HydrophobicContact CB-CD2 4.22Å; V118-L122 HydrophobicContact CG1-CD1 3.75Å; V118-L122 HydrophobicContact CG1-CG 4.26Å; V118-L122 VanDerWaalsContact O-CB 3.31Å; V118-L122 WeakPolarHBondContact O-CB 3.42Å; V118-L122 WeakPolarHBondContact O-CG 3.5Å; V118-L122 PolarHBondContact O-N 3.46Å; I119-L122 WeakPolarHBondContact O-CB 3.44Å; I119-L122 PolarHBondContact O-N 2.75Å; I119-L122 VanDerWaalsContact O-N 3.14Å; L122-D124 PolarHBondContact O-N 3.19Å
123L80.8Confident84.8Confident3 Ų354 Ų542%0.01625%0.252CS..THydrogen-bonded Turntrans-73.6-10.3-178.9-68.6172.4000114.1I68 Y71 I119 Q121 W125 H126 L127 F129I68-L123 HydrophobicContact CD1-CD1 4.48Å; I68-L123 HydrophobicContact CG1-CD1 4.29Å; I68-L123 HydrophobicContact CG2-CD1 4.04Å; Y71-L123 HydrophobicContact CD1-CD2 3.39Å; Y71-L123 HydrophobicContact CD1-CG 4.16Å; Y71-L123 HydrophobicContact CD2-CD2 4.1Å; Y71-L123 HydrophobicContact CE1-CD2 3.84Å; Y71-L123 HydrophobicContact CE1-CG 4.38Å; Y71-L123 HydrophobicContact CE2-CD2 4.46Å; Y71-L123 HydrophobicContact CG-CD2 3.56Å; I119-L123 HydrophobicContact CG2-CD1 3.55Å; I119-L123 HydrophobicContact CG2-CG 4.31Å; I119-L123 WeakPolarHBondContact O-CB 3.35Å; I119-L123 WeakPolarHBondContact O-CG 3.03Å; I119-L123 PolarHBondContact O-N 2.79Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 2.93Å; L123-W125 PolarHBondContact O-N 3.13Å; L123-W125 VanDerWaalsContact O-N 3.16Å; L123-H126 WeakPolarHBondContact O-CB 3.27Å; L123-H126 PolarHBondContact O-N 3.34Å; L123-L127 HydrophobicContact CD1-CD2 3.42Å; L123-L127 VanDerWaalsContact CD1-CD2 3.42Å; L123-L127 HydrophobicContact CD1-CG 4.17Å; L123-F129 HydrophobicContact CD2-CE2 3.6Å; L123-F129 HydrophobicContact CD2-CZ 3.37Å
124D82.6Confident85.3Confident112 Ų11254.8 Ų54.860%0.59926%0.257SS*.THydrogen-bonded Turntrans47.438.5-166.3-163.233.3000112.1L120 Q121 L122 H126L120-D124 PolarHBondContact O-N 2.89Å; Q121-D124 PolarHBondContact O-N 3.08Å; L122-D124 PolarHBondContact O-N 3.19Å; D124-H126 PolarHBondContact O-CD2 2.86Å; D124-H126 PolarHBondContact O-N 3.44Å
125W79.5Confident85.5Confident141 Ų14147.9 Ų47.953%0.53423%0.231SC..THydrogen-bonded Turntrans59.510.1-174.9-60.680000116.1L120 L123 L127L120-W125 HydrophobicContact CB-CD2 4.4Å; L120-W125 HydrophobicContact CB-CZ2 4.25Å; L120-W125 HydrophobicContact CD1-CH2 3.74Å; L120-W125 HydrophobicContact CD1-CZ2 4.15Å; L120-W125 HydrophobicContact CD1-CZ3 3.95Å; L120-W125 HydrophobicContact CD2-CD2 4.47Å; L120-W125 HydrophobicContact CD2-CE3 4.06Å; L120-W125 HydrophobicContact CD2-CZ3 4.17Å; L120-W125 PolarHBondContact O-N 3.46Å; L123-W125 PolarHBondContact O-N 3.13Å; L123-W125 VanDerWaalsContact O-N 3.16Å; W125-L127 PolarHBondContact O-N 2.7Å
126H77.6Confident85.5Confident125 Ų12546.1 Ų46.158%0.57922%0.223SC*.  trans-82.698.3173.4-67.5-63.1000110.8L123 D124L123-H126 WeakPolarHBondContact O-CB 3.27Å; L123-H126 PolarHBondContact O-N 3.34Å; D124-H126 PolarHBondContact O-CD2 2.86Å; D124-H126 PolarHBondContact O-N 3.44Å
127L75.2Confident85.7Confident28 Ų2848.6 Ų48.615%0.14724%0.236CC..  trans-111.212-176.4-68146.7000113.3I68 T93 M97 L120 L123 W125 F129I68-L127 HydrophobicContact CD1-CD2 3.73Å; I68-L127 HydrophobicContact CG1-CD2 4.32Å; T93-L127 HydrophobicContact CG2-CD2 4.25Å; M97-L127 HydrophobicContact CE-CB 3.22Å; M97-L127 HydrophobicContact CE-CD1 3.83Å; M97-L127 HydrophobicContact CE-CG 4.04Å; M97-L127 HydrophobicContact SD-CB 3.41Å; M97-L127 WeakPolarHBondContact SD-CB 3.42Å; M97-L127 HydrophobicContact SD-CD1 3.55Å; M97-L127 VanDerWaalsContact SD-CD1 3.55Å; M97-L127 HydrophobicContact SD-CD2 3.69Å; M97-L127 HydrophobicContact SD-CG 3.72Å; L120-L127 HydrophobicContact CD2-CD1 3.87Å; L123-L127 HydrophobicContact CD1-CD2 3.42Å; L123-L127 VanDerWaalsContact CD1-CD2 3.42Å; L123-L127 HydrophobicContact CD1-CG 4.17Å; W125-L127 PolarHBondContact O-N 2.7Å; L127-F129 PolarHBondContact O-N 3.41Å
128D79.1Confident85.8Confident116 Ų11645.7 Ų45.762%0.6223%0.227SC*.  trans-79.542.7-176.2-68.3-27.7000113.5R16R16-D128 PolarHBondContact NH1-O 3.03Å
129F85.9Confident85.7Confident36 Ų3642.6 Ų42.616%0.15821%0.208CC..  trans-66.4143.7179.5-61.2-60.4000111.6Q20 W24 M67 I68 Y71 L123 L127Q20-F129 HydrophobicContact CG-CD1 3.97Å; Q20-F129 HydrophobicContact CG-CE1 4.47Å; W24-F129 AromaticContact CZ2-CD1 3.89Å; W24-F129 HydrophobicContact CZ2-CD1 3.89Å; W24-F129 AromaticContact CZ2-CE1 3.92Å; W24-F129 HydrophobicContact CZ2-CE1 3.92Å; W24-F129 AromaticContact NE1-CE1 3.57Å; M67-F129 HydrophobicContact CB-CB 3.85Å; M67-F129 HydrophobicContact CB-CD1 4.42Å; M67-F129 HydrophobicContact CB-CD2 4.12Å; M67-F129 HydrophobicContact CB-CG 3.86Å; M67-F129 HydrophobicContact CG-CB 4.12Å; I68-F129 HydrophobicContact CG1-CD2 4.2Å; I68-F129 HydrophobicContact CG1-CE2 4Å; Y71-F129 HydrophobicContact CD2-CE1 4.35Å; Y71-F129 HydrophobicContact CD2-CZ 4.17Å; Y71-F129 HydrophobicContact CG-CZ 4.34Å; L123-F129 HydrophobicContact CD2-CE2 3.6Å; L123-F129 HydrophobicContact CD2-CZ 3.37Å; L127-F129 PolarHBondContact O-N 3.41Å
130V90.2Very high85.6Confident0 Ų042.6 Ų42.60%021%0.208CC..  trans-100.4134.7169.6-660000109.2A13 R16 E17 Q20 T134 F135A13-V130 HydrophobicContact CB-CG1 4.14Å; R16-V130 HydrophobicContact CB-CG1 3.81Å; R16-V130 VanDerWaalsContact CZ-CG1 3.43Å; E17-V130 VanDerWaalsContact CA-CG2 3.43Å; E17-V130 HydrophobicContact CB-CG2 3.68Å; E17-V130 HydrophobicContact CG-CG2 4.5Å; Q20-V130 PolarHBondContact NE2-O 2.97Å; Q20-V130 PolarHBondContact OE1-O 3.34Å; V130-T134 HydrophobicContact CG1-CG2 4.31Å; V130-F135 HydrophobicContact CB-CE2 4.05Å; V130-F135 HydrophobicContact CG2-CE2 4.06Å; V130-F135 HydrophobicContact CG2-CZ 4.46Å
131T90.4Very high85.4Confident7 Ų743.4 Ų43.44%0.04321%0.214CC..  trans-114.5166.1177.265.70000109.3P63 A64 M67 Y133 T134 F135P63-T131 HydrophobicContact CB-CG2 4.27Å; A64-T131 HydrophobicContact CB-CG2 4.1Å; M67-T131 HydrophobicContact CG-CG2 3.92Å; T131-Y133 PolarHBondContact O-N 3.23Å; T131-Y133 WeakPolarHBondContact OG1-CB 3.38Å; T131-Y133 PolarHBondContact OG1-N 3.28Å; T131-T134 PolarHBondContact N-OG1 3.36Å; T131-T134 VanDerWaalsContact O-CB 3.31Å; T131-T134 WeakPolarHBondContact O-CB 3.49Å; T131-T134 PolarHBondContact O-N 3.24Å; T131-T134 PolarHBondContact O-OG1 3.43Å; T131-T134 PolarHBondContact OG1-N 3.38Å; T131-T134 PolarHBondContact OG1-OG1 3.26Å; T131-F135 WeakPolarHBondContact O-CD2 3.33Å; T131-F135 PolarHBondContact O-N 3.34Å
132P89.9Confident85.2Confident0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-52.8-35.3169.8-28.737.4000112.7T134 F135 V136 L160 P175 L178 A179P132-T134 PolarHBondContact O-N 3.32Å; P132-F135 PolarHBondContact O-N 3.43Å; P132-V136 WeakPolarHBondContact O-CG2 3.43Å; P132-V136 PolarHBondContact O-N 3.04Å; P132-L160 HydrophobicContact CB-CD2 3.81Å; P132-P175 HydrophobicContact CG-CB 4.27Å; P132-L178 HydrophobicContact CB-CB 4.37Å; P132-L178 HydrophobicContact CG-CB 4.05Å; P132-L178 HydrophobicContact CG-CD1 4.28Å; P132-A179 HydrophobicContact CB-CB 4.32Å; P132-A179 WeakPolarHBondContact O-CB 3.26Å
133Y91Very high84.9Confident1 Ų140.6 Ų40.60%0.00420%0.199CC..Hα-helixtrans-59.9-44.3174.5-80-99.4000112.5P59 D60 P63 T131 F135 V136 D137 V153 S157 L160 N161P59-Y133 HydrophobicContact CB-CE1 3.96Å; P59-Y133 HydrophobicContact CG-CE1 4.24Å; P59-Y133 PolarHBondContact O-OH 3.1Å; D60-Y133 HydrophobicContact CB-CD1 4.05Å; D60-Y133 HydrophobicContact CB-CG 4.08Å; P63-Y133 HydrophobicContact CB-CD2 4.03Å; P63-Y133 HydrophobicContact CB-CE2 4.21Å; P63-Y133 HydrophobicContact CG-CD2 3.6Å; P63-Y133 HydrophobicContact CG-CE2 3.32Å; T131-Y133 PolarHBondContact O-N 3.23Å; T131-Y133 WeakPolarHBondContact OG1-CB 3.38Å; T131-Y133 PolarHBondContact OG1-N 3.28Å; Y133-F135 PolarHBondContact O-N 3.03Å; Y133-F135 VanDerWaalsContact O-N 3.16Å; Y133-V136 PolarHBondContact O-N 3.2Å; Y133-V136 VanDerWaalsContact O-N 3.08Å; Y133-D137 PolarHBondContact O-N 3.32Å; Y133-V153 HydrophobicContact CD1-CG1 4.09Å; Y133-V153 HydrophobicContact CE1-CG1 4.04Å; Y133-S157 WeakPolarHBondContact OH-CA 3.32Å; Y133-S157 WeakPolarHBondContact OH-CB 3.42Å; Y133-S157 PolarHBondContact OH-O 3.03Å; Y133-S157 VanDerWaalsContact OH-O 3.13Å; Y133-S157 PolarHBondContact OH-OG 3.15Å; Y133-L160 HydrophobicContact CD1-CD1 3.84Å; Y133-L160 HydrophobicContact CD2-CB 3.87Å; Y133-L160 HydrophobicContact CD2-CD1 3.87Å; Y133-L160 HydrophobicContact CD2-CG 4.43Å; Y133-L160 HydrophobicContact CE1-CD1 3.71Å; Y133-L160 HydrophobicContact CE2-CB 3.24Å; Y133-L160 HydrophobicContact CE2-CD1 3.74Å; Y133-L160 HydrophobicContact CE2-CG 4.11Å; Y133-L160 HydrophobicContact CG-CD1 3.94Å; Y133-N161 WeakPolarHBondContact CE2-OD1 3.44Å; Y133-N161 PolarHBondContact OH-OD1 3.4Å
134T90.5Very high84.7Confident36 Ų3643.9 Ų43.922%0.22121%0.213CC..Hα-helixtrans-52.2-42.9177.1-47.10000111.5A13 V130 T131 P132 L138A13-T134 HydrophobicContact CB-CG2 4.48Å; V130-T134 HydrophobicContact CG1-CG2 4.31Å; T131-T134 PolarHBondContact N-OG1 3.36Å; T131-T134 VanDerWaalsContact O-CB 3.31Å; T131-T134 WeakPolarHBondContact O-CB 3.49Å; T131-T134 PolarHBondContact O-N 3.24Å; T131-T134 PolarHBondContact O-OG1 3.43Å; T131-T134 PolarHBondContact OG1-N 3.38Å; T131-T134 PolarHBondContact OG1-OG1 3.26Å; P132-T134 PolarHBondContact O-N 3.32Å; T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.13Å; T134-L138 WeakPolarHBondContact O-CD1 3.5Å; T134-L138 WeakPolarHBondContact O-CG 3.48Å; T134-L138 PolarHBondContact O-N 3.48Å
135F91.2Very high84.4Confident0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-74.6-39.2179.3-72.1-74000113L10 A13 L14 E17 V130 T131 P132 Y133 L138 V139 P175 A179 L207L10-F135 HydrophobicContact CD1-CD1 3.79Å; L10-F135 HydrophobicContact CD1-CE1 4.07Å; A13-F135 HydrophobicContact CB-CE1 3.86Å; A13-F135 HydrophobicContact CB-CZ 4.06Å; L14-F135 HydrophobicContact CD2-CE1 3.69Å; L14-F135 HydrophobicContact CD2-CZ 4.17Å; L14-F135 HydrophobicContact CG-CE1 4.02Å; E17-F135 HydrophobicContact CB-CE2 4.3Å; E17-F135 HydrophobicContact CB-CZ 3.93Å; E17-F135 HydrophobicContact CG-CZ 4.49Å; E17-F135 WeakPolarHBondContact OE1-CE2 3.2Å; V130-F135 HydrophobicContact CB-CE2 4.05Å; V130-F135 HydrophobicContact CG2-CE2 4.06Å; V130-F135 HydrophobicContact CG2-CZ 4.46Å; T131-F135 WeakPolarHBondContact O-CD2 3.33Å; T131-F135 PolarHBondContact O-N 3.34Å; P132-F135 PolarHBondContact O-N 3.43Å; Y133-F135 PolarHBondContact O-N 3.03Å; Y133-F135 VanDerWaalsContact O-N 3.16Å; F135-L138 PolarHBondContact O-N 3.26Å; F135-V139 WeakPolarHBondContact O-CB 3.21Å; F135-V139 VanDerWaalsContact O-CG2 3.25Å; F135-V139 WeakPolarHBondContact O-CG2 3.11Å; F135-V139 PolarHBondContact O-N 3.06Å; F135-P175 HydrophobicContact CD2-CB 4.07Å; F135-P175 HydrophobicContact CE2-CB 3.92Å; F135-A179 HydrophobicContact CB-CB 3.51Å; F135-A179 HydrophobicContact CG-CB 4.49Å; F135-L207 HydrophobicContact CB-CD2 4.48Å; F135-L207 HydrophobicContact CD1-CD2 3.91Å
136V89.4Confident84.1Confident0 Ų044.3 Ų44.30%022%0.222CC..Hα-helixtrans-58-49.9174.2170.90000110.3P132 Y133 L138 V139 L140 V153 L156 L160 A179 L183P132-V136 WeakPolarHBondContact O-CG2 3.43Å; P132-V136 PolarHBondContact O-N 3.04Å; Y133-V136 PolarHBondContact O-N 3.2Å; Y133-V136 VanDerWaalsContact O-N 3.08Å; V136-L138 PolarHBondContact O-N 3.42Å; V136-V139 PolarHBondContact O-N 3.48Å; V136-L140 HydrophobicContact CG1-CD1 3.67Å; V136-L140 HydrophobicContact CG1-CG 4.23Å; V136-L140 WeakPolarHBondContact O-CB 3.14Å; V136-L140 VanDerWaalsContact O-CG 3.24Å; V136-L140 WeakPolarHBondContact O-CG 3.41Å; V136-L140 PolarHBondContact O-N 3.5Å; V136-V153 HydrophobicContact CG1-CG2 4.12Å; V136-L156 HydrophobicContact CG1-CD1 3.91Å; V136-L160 HydrophobicContact CG2-CD1 4.11Å; V136-L160 HydrophobicContact CG2-CD2 4.1Å; V136-A179 HydrophobicContact CG2-CB 3.93Å; V136-L183 HydrophobicContact CG1-CD2 4.27Å; V136-L183 HydrophobicContact CG2-CD1 4.25Å; V136-L183 HydrophobicContact CG2-CG 4.11Å
137D87.8Confident83.9Confident60 Ų6041.4 Ų41.432%0.32123%0.226SC..Hα-helixtrans-63.8-42.1-178.4-71.1-27.6000112.6Y133 S141 V153Y133-D137 PolarHBondContact O-N 3.32Å; D137-S141 WeakPolarHBondContact O-CB 3.42Å; D137-S141 PolarHBondContact O-N 2.81Å; D137-S141 PolarHBondContact O-OG 3.32Å; D137-V153 VanDerWaalsContact OD1-CG2 3.28Å; D137-V153 WeakPolarHBondContact OD1-CG2 3.46Å
138L88.1Confident83.8Confident22 Ų2242.1 Ų42.112%0.11524%0.236CC..Hα-helixtrans-64.5-43.9177.3-73170.7000111.7A9 L10 A13 T134 F135 V136 M142A9-L138 HydrophobicContact CB-CD2 3.58Å; L10-L138 HydrophobicContact CD1-CB 4.37Å; L10-L138 HydrophobicContact CD1-CD1 4.35Å; A13-L138 HydrophobicContact CB-CD1 3.69Å; T134-L138 HydrophobicContact CG2-CD1 4.08Å; T134-L138 WeakPolarHBondContact O-CB 3.13Å; T134-L138 WeakPolarHBondContact O-CD1 3.5Å; T134-L138 WeakPolarHBondContact O-CG 3.48Å; T134-L138 PolarHBondContact O-N 3.48Å; F135-L138 PolarHBondContact O-N 3.26Å; V136-L138 PolarHBondContact O-N 3.42Å; L138-M142 WeakPolarHBondContact O-CG 3.06Å; L138-M142 PolarHBondContact O-N 3.29Å
139V85.6Confident83.7Confident3 Ų337.1 Ų37.12%0.01821%0.21CC..Hα-helixtrans-64.7-46.8177.6166.90000111.3F135 V136 S141 M142 K143 L183 L203 L207F135-V139 WeakPolarHBondContact O-CB 3.21Å; F135-V139 VanDerWaalsContact O-CG2 3.25Å; F135-V139 WeakPolarHBondContact O-CG2 3.11Å; F135-V139 PolarHBondContact O-N 3.06Å; V136-V139 PolarHBondContact O-N 3.48Å; V139-S141 VanDerWaalsContact C-N 3.35Å; V139-S141 PolarHBondContact O-N 2.87Å; V139-M142 HydrophobicContact CG2-CE 4.21Å; V139-M142 PolarHBondContact O-N 3.06Å; V139-K143 PolarHBondContact O-N 3.05Å; V139-L183 HydrophobicContact CB-CD1 4.17Å; V139-L183 HydrophobicContact CG1-CD1 3.89Å; V139-L203 HydrophobicContact CG1-CD2 3.3Å; V139-L203 HydrophobicContact CG2-CD2 4.45Å; V139-L207 HydrophobicContact CG2-CD1 4.29Å; V139-L207 HydrophobicContact CG2-CD2 4Å; V139-L207 HydrophobicContact CG2-CG 4.35Å
140L84.4Confident83.3Confident1 Ų139.3 Ų39.31%0.00523%0.226CC..Hα-helixtrans-63.8-43.3179.9-68.5177.1000110.8V136 M142 K143 F144 C149 I152 V153 L183V136-L140 HydrophobicContact CG1-CD1 3.67Å; V136-L140 HydrophobicContact CG1-CG 4.23Å; V136-L140 WeakPolarHBondContact O-CB 3.14Å; V136-L140 VanDerWaalsContact O-CG 3.24Å; V136-L140 WeakPolarHBondContact O-CG 3.41Å; V136-L140 PolarHBondContact O-N 3.5Å; L140-M142 PolarHBondContact O-N 3.32Å; L140-M142 VanDerWaalsContact O-N 3.17Å; L140-K143 PolarHBondContact O-N 3.43Å; L140-K143 VanDerWaalsContact O-N 3.09Å; L140-F144 HydrophobicContact CB-CD2 4.45Å; L140-F144 HydrophobicContact CD2-CD2 3.56Å; L140-F144 HydrophobicContact CD2-CE2 3.67Å; L140-F144 WeakPolarHBondContact O-CA 3.28Å; L140-F144 WeakPolarHBondContact O-CB 3.13Å; L140-F144 PolarHBondContact O-N 3.38Å; L140-C149 HydrophobicContact CB-CB 4.14Å; L140-C149 HydrophobicContact CD1-CB 4.4Å; L140-I152 HydrophobicContact CD1-CB 4.09Å; L140-I152 HydrophobicContact CD1-CG2 3.83Å; L140-I152 HydrophobicContact CD2-CD1 4.14Å; L140-I152 HydrophobicContact CD2-CG2 4.05Å; L140-V153 HydrophobicContact CD1-CG2 3.62Å; L140-L183 HydrophobicContact CD2-CD2 4.13Å; L140-L183 HydrophobicContact CG-CD2 4.44Å
141S83.2Confident82.9Confident29 Ų2943 Ų4320%0.20325%0.25CS..Hα-helixtrans-63.8-20.2177.4-61.40000114.4D137 V139D137-S141 WeakPolarHBondContact O-CB 3.42Å; D137-S141 PolarHBondContact O-N 2.81Å; D137-S141 PolarHBondContact O-OG 3.32Å; V139-S141 VanDerWaalsContact C-N 3.35Å; V139-S141 PolarHBondContact O-N 2.87Å
142M82.4Confident82.4Confident36 Ų3644.6 Ų44.618%0.17726%0.258CS..Hα-helixtrans-85.3-28.3174.1-74.5-172.6-59.700113.5L10 L138 V139 L140 I206L10-M142 HydrophobicContact CD2-CE 3.83Å; L10-M142 HydrophobicContact CD2-SD 4.38Å; L138-M142 WeakPolarHBondContact O-CG 3.06Å; L138-M142 PolarHBondContact O-N 3.29Å; V139-M142 HydrophobicContact CG2-CE 4.21Å; V139-M142 PolarHBondContact O-N 3.06Å; L140-M142 PolarHBondContact O-N 3.32Å; L140-M142 VanDerWaalsContact O-N 3.17Å; M142-I206 HydrophobicContact CE-CG2 3.93Å
143K77.9Confident82.1Confident96 Ų9645.3 Ų45.342%0.41726%0.263SS..Hα-helixtrans-109.5-25.5-168.9-68.7-65.7-175.5-178.70113.5V139 L140V139-K143 PolarHBondContact O-N 3.05Å; L140-K143 PolarHBondContact O-N 3.43Å; L140-K143 VanDerWaalsContact O-N 3.09Å
144F77Confident81.7Confident72 Ų7252.4 Ų52.432%0.31629%0.293SS..SBendtrans-129.8157.5-173.9-58.5-82.6000110.6L140 A148 M187L140-F144 HydrophobicContact CB-CD2 4.45Å; L140-F144 HydrophobicContact CD2-CD2 3.56Å; L140-F144 HydrophobicContact CD2-CE2 3.67Å; L140-F144 WeakPolarHBondContact O-CA 3.28Å; L140-F144 WeakPolarHBondContact O-CB 3.13Å; L140-F144 PolarHBondContact O-N 3.38Å; F144-A148 HydrophobicContact CB-CB 4.34Å; F144-M187 HydrophobicContact CZ-CE 4.44Å
145D77.1Confident81.3Confident141 Ų14157.6 Ų57.675%0.75431%0.309SS*.  trans-69.7147.5170.1-65.3-36.7000110.5G147 A148 C149D145-G147 PolarHBondContact O-N 3.45Å; D145-A148 WeakPolarHBondContact O-CB 3.12Å; D145-A148 PolarHBondContact O-N 3.31Å; D145-C149 PolarHBondContact O-N 2.89Å; D145-C149 PolarHBondContact O-SG 2.93Å; D145-C149 VanDerWaalsContact O-SG 3.38Å
146Q71.7Confident81Confident121 Ų12157.8 Ų57.857%0.56531%0.31SS*.Hα-helixtrans-53.4-35.4-174.5-71.3-179.1-6.400113.6A148 C149Q146-A148 VanDerWaalsContact C-N 3.31Å; Q146-A148 PolarHBondContact O-N 2.97Å; Q146-C149 WeakPolarHBondContact O-CB 3.5Å; Q146-C149 PolarHBondContact O-N 3.09Å
147G73.4Confident80.7Confident65 Ų6558.5 Ų58.567%0.6732%0.315SS*.Hα-helixtrans-66.2-29.5177.700000113.9D145 P151D145-G147 PolarHBondContact O-N 3.45Å; G147-P151 WeakPolarHBondContact O-CD 3.46Å
148A73.9Confident80.4Confident43 Ų4359.6 Ų59.636%0.35533%0.325SS..Hα-helixtrans-81-20.9176.500000112.6F144 D145 Q146 P151 I152F144-A148 HydrophobicContact CB-CB 4.34Å; D145-A148 WeakPolarHBondContact O-CB 3.12Å; D145-A148 PolarHBondContact O-N 3.31Å; Q146-A148 VanDerWaalsContact C-N 3.31Å; Q146-A148 PolarHBondContact O-N 2.97Å; A148-P151 WeakPolarHBondContact O-CD 3.48Å; A148-P151 WeakPolarHBondContact O-CG 3.46Å; A148-I152 VanDerWaalsContact O-CD1 3.32Å; A148-I152 WeakPolarHBondContact O-CD1 3.18Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å
149C76.7Confident80.2Confident11 Ų1159.7 Ų59.77%0.07433%0.327CS..Hα-helixtrans-67.4-45.6-179.6-57.70000112.2L140 D145 Q146 I152 V153L140-C149 HydrophobicContact CB-CB 4.14Å; L140-C149 HydrophobicContact CD1-CB 4.4Å; D145-C149 PolarHBondContact O-N 2.89Å; D145-C149 PolarHBondContact O-SG 2.93Å; D145-C149 VanDerWaalsContact O-SG 3.38Å; Q146-C149 WeakPolarHBondContact O-CB 3.5Å; Q146-C149 PolarHBondContact O-N 3.09Å; C149-I152 WeakPolarHBondContact O-CB 3.31Å; C149-I152 PolarHBondContact O-N 2.66Å; C149-I152 VanDerWaalsContact O-N 3.08Å; C149-V153 WeakPolarHBondContact O-CG2 3.41Å; C149-V153 PolarHBondContact O-N 3.04Å
150V78.5Confident80.2Confident81 Ų8159.6 Ų59.649%0.49133%0.326SS..Hα-helixtrans-53-52.2-175-179.70000113.7I152 V153 K154V150-I152 VanDerWaalsContact C-N 3.29Å; V150-I152 PolarHBondContact O-N 3.4Å; V150-V153 PolarHBondContact O-N 3.28Å; V150-K154 HydrophobicContact CG1-CD 4.4Å; V150-K154 WeakPolarHBondContact O-CG 3.47Å; V150-K154 PolarHBondContact O-N 3.1Å
151P80.5Confident80.2Confident77 Ų7760.2 Ų60.250%0.533%0.329SS..Hα-helixtrans-66-31.4179.325.5-35000112.9G147 A148 R155G147-P151 WeakPolarHBondContact O-CD 3.46Å; A148-P151 WeakPolarHBondContact O-CD 3.48Å; A148-P151 WeakPolarHBondContact O-CG 3.46Å; P151-R155 WeakPolarHBondContact O-CB 3.3Å; P151-R155 PolarHBondContact O-N 2.89Å
152I80.8Confident80.2Confident41 Ų4159.5 Ų59.521%0.2133%0.326CS..Hα-helixtrans-68.9-46.5177.9-62.1170.3000110.2L140 A148 C149 V150 R155 L156L140-I152 HydrophobicContact CD1-CB 4.09Å; L140-I152 HydrophobicContact CD1-CG2 3.83Å; L140-I152 HydrophobicContact CD2-CD1 4.14Å; L140-I152 HydrophobicContact CD2-CG2 4.05Å; A148-I152 VanDerWaalsContact O-CD1 3.32Å; A148-I152 WeakPolarHBondContact O-CD1 3.18Å; A148-I152 WeakPolarHBondContact O-CG1 3.4Å; C149-I152 WeakPolarHBondContact O-CB 3.31Å; C149-I152 PolarHBondContact O-N 2.66Å; C149-I152 VanDerWaalsContact O-N 3.08Å; V150-I152 VanDerWaalsContact C-N 3.29Å; V150-I152 PolarHBondContact O-N 3.4Å; I152-R155 WeakPolarHBondContact O-CB 3.43Å; I152-R155 PolarHBondContact O-N 2.68Å; I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.48Å; I152-L156 WeakPolarHBondContact O-CB 3.46Å; I152-L156 WeakPolarHBondContact O-CG 3.23Å; I152-L156 PolarHBondContact O-N 3.21Å
153V83.6Confident80.3Confident16 Ų1657.9 Ų57.910%0.09732%0.318CS..Hα-helixtrans-61.9-45.1177.6176.40000110.6Y133 V136 D137 L140 C149 V150 R155 L156 S157Y133-V153 HydrophobicContact CD1-CG1 4.09Å; Y133-V153 HydrophobicContact CE1-CG1 4.04Å; V136-V153 HydrophobicContact CG1-CG2 4.12Å; D137-V153 VanDerWaalsContact OD1-CG2 3.28Å; D137-V153 WeakPolarHBondContact OD1-CG2 3.46Å; L140-V153 HydrophobicContact CD1-CG2 3.62Å; C149-V153 WeakPolarHBondContact O-CG2 3.41Å; C149-V153 PolarHBondContact O-N 3.04Å; V150-V153 PolarHBondContact O-N 3.28Å; V153-R155 VanDerWaalsContact C-N 3.29Å; V153-R155 PolarHBondContact O-N 3.34Å; V153-L156 CarbonylContact O-C 3.57Å; V153-L156 PolarHBondContact O-N 3.12Å; V153-L156 VanDerWaalsContact O-N 3.1Å; V153-S157 WeakPolarHBondContact O-CB 3.3Å; V153-S157 PolarHBondContact O-N 3.27Å
154K82.6Confident80.7Confident149 Ų14953.4 Ų53.465%0.64830%0.298SS*.Hα-helixtrans-57.7-40.9174.9-76-174176.2-171.60112.5V150 S157V150-K154 HydrophobicContact CG1-CD 4.4Å; V150-K154 WeakPolarHBondContact O-CG 3.47Å; V150-K154 PolarHBondContact O-N 3.1Å; K154-S157 PolarHBondContact O-N 3.02Å
155R82.7Confident81Confident146 Ų14650.1 Ų50.155%0.55128%0.284SS*.Hα-helixtrans-67.4-36176.3-176.6176.8-179.4-164.2-4.4112.6P151 I152 V153 S189P151-R155 WeakPolarHBondContact O-CB 3.3Å; P151-R155 PolarHBondContact O-N 2.89Å; I152-R155 WeakPolarHBondContact O-CB 3.43Å; I152-R155 PolarHBondContact O-N 2.68Å; V153-R155 VanDerWaalsContact C-N 3.29Å; V153-R155 PolarHBondContact O-N 3.34Å; R155-S189 PolarHBondContact NH2-OG 3.02Å
156L84.1Confident81.3Confident4 Ų448.6 Ų48.62%0.02127%0.268CS..Hα-helixtrans-78.9-22.1178.9-76.3172.7000113.4V136 I152 V153 V159 L160 A182 L183 A186V136-L156 HydrophobicContact CG1-CD1 3.91Å; I152-L156 HydrophobicContact CG2-CD1 3.88Å; I152-L156 HydrophobicContact CG2-CG 4.48Å; I152-L156 WeakPolarHBondContact O-CB 3.46Å; I152-L156 WeakPolarHBondContact O-CG 3.23Å; I152-L156 PolarHBondContact O-N 3.21Å; V153-L156 CarbonylContact O-C 3.57Å; V153-L156 PolarHBondContact O-N 3.12Å; V153-L156 VanDerWaalsContact O-N 3.1Å; L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 3.23Å; L156-L160 HydrophobicContact CB-CD1 3.97Å; L156-L160 HydrophobicContact CB-CG 4.33Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.42Å; L156-A182 HydrophobicContact CD2-CB 4.25Å; L156-A182 VanDerWaalsContact CD2-O 3.23Å; L156-A182 WeakPolarHBondContact CD2-O 3.49Å; L156-L183 HydrophobicContact CD1-CD2 3.78Å; L156-L183 HydrophobicContact CD1-CG 4.38Å; L156-A186 HydrophobicContact CD2-CB 3.44Å; L156-A186 VanDerWaalsContact CD2-CB 3.44Å; L156-A186 HydrophobicContact CG-CB 4.11Å
157S82.6Confident81.9Confident15 Ų1543.6 Ų43.611%0.10525%0.245CC..Hα-helixtrans-53.1-47.4-170.9169.70000114.4P59 Y133 V153 K154 V159 L160 N161P59-S157 WeakPolarHBondContact CB-OG 3.44Å; Y133-S157 WeakPolarHBondContact OH-CA 3.32Å; Y133-S157 WeakPolarHBondContact OH-CB 3.42Å; Y133-S157 PolarHBondContact OH-O 3.03Å; Y133-S157 VanDerWaalsContact OH-O 3.13Å; Y133-S157 PolarHBondContact OH-OG 3.15Å; V153-S157 WeakPolarHBondContact O-CB 3.3Å; V153-S157 PolarHBondContact O-N 3.27Å; K154-S157 PolarHBondContact O-N 3.02Å; S157-V159 VanDerWaalsContact C-N 3.27Å; S157-V159 PolarHBondContact O-N 3.02Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-N161 WeakPolarHBondContact O-CB 3.43Å; S157-N161 VanDerWaalsContact O-CG 3.23Å; S157-N161 PolarHBondContact O-N 3.46Å; S157-N161 PolarHBondContact O-OD1 2.85Å
158P81.7Confident82.5Confident83 Ų8346.4 Ų46.454%0.53924%0.239SC..Hα-helixtrans-59.9-38.1177.7-24.134.1000112.9A162P158-A162 VanDerWaalsContact O-CB 3.3Å; P158-A162 WeakPolarHBondContact O-CB 3.43Å; P158-A162 PolarHBondContact O-N 3Å
159V83.4Confident83Confident24 Ų2444.8 Ų44.815%0.14522%0.224CC..Hα-helixtrans-68.3-48.4177.7177.80000109.8L156 S157 N161 A162 L163 A182 I220L156-V159 WeakPolarHBondContact O-CB 3.48Å; L156-V159 PolarHBondContact O-N 3.23Å; S157-V159 VanDerWaalsContact C-N 3.27Å; S157-V159 PolarHBondContact O-N 3.02Å; V159-N161 VanDerWaalsContact C-N 3.33Å; V159-N161 PolarHBondContact O-N 2.83Å; V159-A162 PolarHBondContact O-N 3.42Å; V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.21Å; V159-A182 HydrophobicContact CG1-CB 4.24Å; V159-I220 HydrophobicContact CG1-CG2 4.02Å
160L86.8Confident83.3Confident0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-61.5-41.9179.7-64.9169.5000111.6P132 Y133 V136 L156 S157 L163 S164 A182P132-L160 HydrophobicContact CB-CD2 3.81Å; Y133-L160 HydrophobicContact CD1-CD1 3.84Å; Y133-L160 HydrophobicContact CD2-CB 3.87Å; Y133-L160 HydrophobicContact CD2-CD1 3.87Å; Y133-L160 HydrophobicContact CD2-CG 4.43Å; Y133-L160 HydrophobicContact CE1-CD1 3.71Å; Y133-L160 HydrophobicContact CE2-CB 3.24Å; Y133-L160 HydrophobicContact CE2-CD1 3.74Å; Y133-L160 HydrophobicContact CE2-CG 4.11Å; Y133-L160 HydrophobicContact CG-CD1 3.94Å; V136-L160 HydrophobicContact CG2-CD1 4.11Å; V136-L160 HydrophobicContact CG2-CD2 4.1Å; L156-L160 HydrophobicContact CB-CD1 3.97Å; L156-L160 HydrophobicContact CB-CG 4.33Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 3.39Å; L160-L163 WeakPolarHBondContact O-CB 3.26Å; L160-L163 PolarHBondContact O-N 2.94Å; L160-S164 PolarHBondContact O-N 2.97Å; L160-S164 PolarHBondContact O-OG 2.92Å; L160-A182 HydrophobicContact CD2-CB 3.58Å; L160-A182 HydrophobicContact CG-CB 4.35Å
161N84.7Confident83.5Confident14 Ų1442.2 Ų42.28%0.07521%0.208CC..Hα-helixtrans-63-44.2176-69.9-2.1000111.1T49 P59 P63 Y133 S157 V159 L163 S164 A165T49-N161 HydrophobicContact CG2-CB 4.2Å; P59-N161 PolarHBondContact O-OD1 3.35Å; P63-N161 WeakPolarHBondContact CG-OD1 3.45Å; Y133-N161 WeakPolarHBondContact CE2-OD1 3.44Å; Y133-N161 PolarHBondContact OH-OD1 3.4Å; S157-N161 WeakPolarHBondContact O-CB 3.43Å; S157-N161 VanDerWaalsContact O-CG 3.23Å; S157-N161 PolarHBondContact O-N 3.46Å; S157-N161 PolarHBondContact O-OD1 2.85Å; V159-N161 VanDerWaalsContact C-N 3.33Å; V159-N161 PolarHBondContact O-N 2.83Å; N161-L163 VanDerWaalsContact C-N 3.29Å; N161-L163 PolarHBondContact O-N 3.1Å; N161-S164 PolarHBondContact O-N 3.33Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 3.32Å
162A82.6Confident83.7Confident15 Ų1541.5 Ų41.512%0.12420%0.202CC..Hα-helixtrans-63.5-33.4175.900000112.8P158 V159 R166 V224P158-A162 VanDerWaalsContact O-CB 3.3Å; P158-A162 WeakPolarHBondContact O-CB 3.43Å; P158-A162 PolarHBondContact O-N 3Å; V159-A162 PolarHBondContact O-N 3.42Å; A162-R166 WeakPolarHBondContact O-CG 3.46Å; A162-V224 HydrophobicContact CB-CG2 3.96Å
163L85.1Confident83.9Confident2 Ų242.4 Ų42.41%0.0120%0.204CC..Hα-helixtrans-67.6-47.2173.8-66.9174.6000111.6V159 L160 N161 A165 R166 L169 L178 A182 I220V159-L163 HydrophobicContact CG1-CD1 4.21Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.21Å; L160-L163 WeakPolarHBondContact O-CB 3.26Å; L160-L163 PolarHBondContact O-N 2.94Å; N161-L163 VanDerWaalsContact C-N 3.29Å; N161-L163 PolarHBondContact O-N 3.1Å; L163-A165 VanDerWaalsContact C-N 3.27Å; L163-A165 PolarHBondContact O-N 3.02Å; L163-R166 PolarHBondContact O-N 2.93Å; L163-L169 HydrophobicContact CD2-CD1 3.56Å; L163-L178 HydrophobicContact CD1-CB 4.29Å; L163-L178 HydrophobicContact CD2-CD2 4.38Å; L163-A182 HydrophobicContact CD1-CB 4.23Å; L163-I220 HydrophobicContact CD1-CD1 4.2Å; L163-I220 HydrophobicContact CD2-CB 4.25Å; L163-I220 HydrophobicContact CD2-CD1 3.44Å; L163-I220 VanDerWaalsContact CD2-CD1 3.44Å; L163-I220 HydrophobicContact CD2-CG1 3.52Å; L163-I220 HydrophobicContact CD2-CG2 3.7Å; L163-I220 HydrophobicContact CG-CD1 4.46Å; L163-I220 HydrophobicContact CG-CG2 4.39Å
164S85.3Confident84.1Confident2 Ų245.2 Ų45.21%0.01421%0.213CC..Hα-helixtrans-65.1-31.1177.5-68.40000112.8R41 L160 N161 R166 L170R41-S164 PolarHBondContact NH1-O 3.23Å; R41-S164 PolarHBondContact NH2-O 2.88Å; L160-S164 PolarHBondContact O-N 2.97Å; L160-S164 PolarHBondContact O-OG 2.92Å; N161-S164 PolarHBondContact O-N 3.33Å; S164-R166 PolarHBondContact O-N 3.08Å; S164-L170 WeakPolarHBondContact O-CD1 3.4Å
165A83.6Confident84.4Confident3 Ų338.1 Ų38.13%0.02518%0.182CC..THydrogen-bonded Turntrans-68.6-15.5177.200000114.1R41 D42 I45 L46 N161 L163R41-A165 VanDerWaalsContact NH1-C 3.31Å; R41-A165 PolarHBondContact NH1-O 3.26Å; R41-A165 VanDerWaalsContact NH1-O 3.08Å; D42-A165 WeakPolarHBondContact CA-O 3.28Å; D42-A165 WeakPolarHBondContact CB-O 3.5Å; I45-A165 HydrophobicContact CG2-CB 4.12Å; L46-A165 HydrophobicContact CD2-CB 3.6Å; L46-A165 HydrophobicContact CG-CB 4.02Å; N161-A165 WeakPolarHBondContact O-CB 3.38Å; N161-A165 PolarHBondContact O-N 3.32Å; L163-A165 VanDerWaalsContact C-N 3.27Å; L163-A165 PolarHBondContact O-N 3.02Å
166R83.9Confident84.8Confident108 Ų10831.3 Ų31.341%0.40816%0.156SC..  trans-103.8107.3-177.4-65.9178.173.2170.16.2111.4A162 L163 S164 F168 L169 L170A162-R166 WeakPolarHBondContact O-CG 3.46Å; L163-R166 PolarHBondContact O-N 2.93Å; S164-R166 PolarHBondContact O-N 3.08Å; R166-F168 VanDerWaalsContact C-N 3.3Å; R166-F168 PolarHBondContact O-N 3.2Å; R166-L169 HydrophobicContact CB-CB 4.29Å; R166-L169 HydrophobicContact CB-CD1 3.94Å; R166-L169 HydrophobicContact CB-CG 3.99Å; R166-L169 HydrophobicContact CG-CD1 4.46Å; R166-L169 PolarHBondContact O-N 2.85Å; R166-L170 PolarHBondContact O-N 3.39Å
167H84.6Confident85Confident16 Ų1632 Ų327%0.07416%0.161CC..Hα-helixtrans-54.4-46-178.1-178.663.7000112.5P29 P38 D42 L169 L170 T171P29-H167 WeakPolarHBondContact CD-CE1 3.47Å; P29-H167 WeakPolarHBondContact CD-NE2 3.49Å; P38-H167 HydrophobicContact CB-CB 4.3Å; D42-H167 WeakPolarHBondContact OD1-CA 3.35Å; D42-H167 WeakPolarHBondContact OD1-CB 3.36Å; D42-H167 PolarHBondContact OD1-N 3.43Å; D42-H167 PolarHBondContact OD2-N 3.12Å; H167-L169 PolarHBondContact O-N 2.68Å; H167-L170 PolarHBondContact O-N 3.06Å; H167-L170 VanDerWaalsContact O-N 3.15Å; H167-T171 WeakPolarHBondContact CE1-CG2 3.41Å; H167-T171 VanDerWaalsContact NE2-CG2 3.28Å; H167-T171 WeakPolarHBondContact NE2-CG2 3.48Å; H167-T171 PolarHBondContact O-N 3.06Å; H167-T171 PolarHBondContact O-OG1 2.89Å; H167-T171 VanDerWaalsContact O-OG1 3.1Å
168F84.8Confident85.2Confident124 Ų12431.3 Ų31.354%0.54416%0.156SC..Hα-helixtrans-55.3-37.6178.9172.4-98.3000112.9R166 T171 T172R166-F168 VanDerWaalsContact C-N 3.3Å; R166-F168 PolarHBondContact O-N 3.2Å; F168-T171 PolarHBondContact O-OG1 3.17Å; F168-T172 WeakPolarHBondContact CE2-OG1 3.18Å; F168-T172 HydrophobicContact CZ-CG2 4.36Å; F168-T172 WeakPolarHBondContact O-CB 3.25Å; F168-T172 PolarHBondContact O-N 2.87Å; F168-T172 PolarHBondContact O-OG1 2.87Å
169L84.3Confident85.5Confident9 Ų927.3 Ų27.35%0.04713%0.13CC..Hα-helixtrans-72.6-40.8-179.2-65.2-178.4000111.3L163 R166 H167 T171 T172 Y173 L178 L216L163-L169 HydrophobicContact CD2-CD1 3.56Å; R166-L169 HydrophobicContact CB-CB 4.29Å; R166-L169 HydrophobicContact CB-CD1 3.94Å; R166-L169 HydrophobicContact CB-CG 3.99Å; R166-L169 HydrophobicContact CG-CD1 4.46Å; R166-L169 PolarHBondContact O-N 2.85Å; H167-L169 PolarHBondContact O-N 2.68Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.47Å; L169-T172 PolarHBondContact O-N 2.73Å; L169-Y173 HydrophobicContact CD2-CD2 3.98Å; L169-Y173 HydrophobicContact CD2-CE2 3.91Å; L169-Y173 WeakPolarHBondContact O-CB 3.35Å; L169-Y173 PolarHBondContact O-N 3.45Å; L169-L178 HydrophobicContact CB-CD2 4.37Å; L169-L216 HydrophobicContact CD2-CD1 4.31Å
170L83.6Confident85.7Confident2 Ų226.2 Ų26.21%0.0112%0.123CC..Hα-helixtrans-70.5-22.6178.7-70.7172.7000113.8W21 T66 M67 S164 R166 H167 L178W21-L170 WeakPolarHBondContact CH2-O 3.35Å; W21-L170 WeakPolarHBondContact CZ3-O 3.45Å; T66-L170 HydrophobicContact CG2-CD1 4.08Å; M67-L170 HydrophobicContact CE-CD1 3.72Å; M67-L170 HydrophobicContact CE-CD2 4.05Å; M67-L170 HydrophobicContact CE-CG 4.47Å; S164-L170 WeakPolarHBondContact O-CD1 3.4Å; R166-L170 PolarHBondContact O-N 3.39Å; H167-L170 PolarHBondContact O-N 3.06Å; H167-L170 VanDerWaalsContact O-N 3.15Å; L170-L178 HydrophobicContact CD2-CD1 3.77Å
171T83.4Confident85.5Confident37 Ų3726.3 Ų26.323%0.22712%0.124CC..Hα-helixtrans-95.7-15.6175.5560000113.7W21 M25 H167 F168 L169W21-T171 VanDerWaalsContact CH2-C 3.46Å; W21-T171 WeakPolarHBondContact CH2-O 3.18Å; W21-T171 WeakPolarHBondContact CZ2-O 3.24Å; M25-T171 WeakPolarHBondContact O-CG2 3.4Å; H167-T171 WeakPolarHBondContact CE1-CG2 3.41Å; H167-T171 VanDerWaalsContact NE2-CG2 3.28Å; H167-T171 WeakPolarHBondContact NE2-CG2 3.48Å; H167-T171 PolarHBondContact O-N 3.06Å; H167-T171 PolarHBondContact O-OG1 2.89Å; H167-T171 VanDerWaalsContact O-OG1 3.1Å; F168-T171 PolarHBondContact O-OG1 3.17Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 3.47Å
172T83.3Confident85.4Confident61 Ų6125.7 Ų25.737%0.37412%0.121SC..Hα-helixtrans-98-33.9177.3-53.90000112.6F168 L169F168-T172 WeakPolarHBondContact CE2-OG1 3.18Å; F168-T172 HydrophobicContact CZ-CG2 4.36Å; F168-T172 WeakPolarHBondContact O-CB 3.25Å; F168-T172 PolarHBondContact O-N 2.87Å; F168-T172 PolarHBondContact O-OG1 2.87Å; L169-T172 PolarHBondContact O-N 2.73Å
173Y85.3Confident85.4Confident61 Ų6125.1 Ų25.124%0.23912%0.116CC..SBendtrans-126.1136.4-174.6-56-74.1000112.5W21 L169 T177 L178 L216W21-Y173 WeakPolarHBondContact CH2-O 3.34Å; W21-Y173 WeakPolarHBondContact CZ3-O 3.36Å; L169-Y173 HydrophobicContact CD2-CD2 3.98Å; L169-Y173 HydrophobicContact CD2-CE2 3.91Å; L169-Y173 WeakPolarHBondContact O-CB 3.35Å; L169-Y173 PolarHBondContact O-N 3.45Å; Y173-T177 HydrophobicContact CD1-CG2 4.14Å; Y173-L178 HydrophobicContact CD2-CD2 4.41Å; Y173-L178 HydrophobicContact CG-CD2 4.42Å; Y173-L216 HydrophobicContact CD1-CD2 3.82Å; Y173-L216 HydrophobicContact CD2-CD1 4.04Å; Y173-L216 HydrophobicContact CD2-CD2 3.84Å; Y173-L216 HydrophobicContact CE1-CD1 4.35Å; Y173-L216 HydrophobicContact CE1-CD2 3.94Å; Y173-L216 HydrophobicContact CE2-CD1 3.42Å; Y173-L216 VanDerWaalsContact CE2-CD1 3.42Å; Y173-L216 HydrophobicContact CE2-CD2 3.96Å; Y173-L216 HydrophobicContact CE2-CG 4.32Å; Y173-L216 HydrophobicContact CG-CD2 3.77Å
174R88Confident85Confident75 Ų7525.1 Ų25.128%0.28312%0.116SC..  trans-61.8146.7173.9-66.8-176.5178.4-149.1-2.3112.4E17 Q18 W21 S176 T177 L178E17-R174 HydrophobicContact CG-CB 4.33Å; Q18-R174 VanDerWaalsContact CD-NH2 3.34Å; W21-R174 HydrophobicContact CD2-CG 3.84Å; W21-R174 HydrophobicContact CE3-CB 4.33Å; W21-R174 HydrophobicContact CE3-CG 3.75Å; W21-R174 HydrophobicContact CG-CG 4.37Å; W21-R174 HydrophobicContact CZ3-CG 4.17Å; R174-S176 PolarHBondContact O-N 3.03Å; R174-S176 VanDerWaalsContact O-N 3.17Å; R174-T177 WeakPolarHBondContact O-CA 3.14Å; R174-T177 VanDerWaalsContact O-CB 3.26Å; R174-T177 WeakPolarHBondContact O-CB 3.41Å; R174-T177 PolarHBondContact O-N 3.32Å; R174-L178 PolarHBondContact O-N 2.95Å
175P89Confident84.6Confident0 Ų026.9 Ų26.90%013%0.125CC..Hα-helixtrans-49.8-37.5175-2831.6000115.2E17 M25 P132 F135 L178 A179E17-P175 WeakPolarHBondContact OE1-CB 3.33Å; E17-P175 WeakPolarHBondContact OE1-CD 3.3Å; M25-P175 HydrophobicContact CE-CG 3.72Å; M25-P175 HydrophobicContact SD-CG 4.36Å; P132-P175 HydrophobicContact CG-CB 4.27Å; F135-P175 HydrophobicContact CD2-CB 4.07Å; F135-P175 HydrophobicContact CE2-CB 3.92Å; P175-L178 PolarHBondContact O-N 3.08Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.44Å; P175-A179 PolarHBondContact O-N 3.17Å
176S90.1Very high84.2Confident3 Ų327.5 Ų27.52%0.02113%0.13CC..Hα-helixtrans-65.2-40176.358.60000111.9E17 R174 A179 Y180E17-S176 WeakPolarHBondContact OE1-CB 3.48Å; E17-S176 PolarHBondContact OE1-N 3.16Å; E17-S176 PolarHBondContact OE1-OG 3.25Å; E17-S176 WeakPolarHBondContact OE2-CB 3.2Å; E17-S176 PolarHBondContact OE2-OG 2.67Å; R174-S176 PolarHBondContact O-N 3.03Å; R174-S176 VanDerWaalsContact O-N 3.17Å; S176-A179 PolarHBondContact O-N 3.33Å; S176-Y180 WeakPolarHBondContact O-CB 3.33Å; S176-Y180 PolarHBondContact O-N 3.01Å
177T88Confident83.6Confident18 Ų1823.6 Ų23.611%0.1112%0.116CC..Hα-helixtrans-65.2-42.5173.2-59.80000111.5Y173 R174 Y180 A181 V209 V213 L216Y173-T177 HydrophobicContact CD1-CG2 4.14Å; R174-T177 WeakPolarHBondContact O-CA 3.14Å; R174-T177 VanDerWaalsContact O-CB 3.26Å; R174-T177 WeakPolarHBondContact O-CB 3.41Å; R174-T177 PolarHBondContact O-N 3.32Å; T177-Y180 PolarHBondContact O-N 2.97Å; T177-A181 WeakPolarHBondContact O-CB 3.37Å; T177-A181 PolarHBondContact O-N 3.21Å; T177-V209 HydrophobicContact CG2-CG1 4.01Å; T177-V213 HydrophobicContact CG2-CB 4.31Å; T177-V213 HydrophobicContact CG2-CG1 3.67Å; T177-V213 HydrophobicContact CG2-CG2 3.61Å; T177-L216 HydrophobicContact CG2-CD2 4.34Å
178L87.7Confident82.8Confident0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-66.8-42.6176.6-65.5177000111.6P132 L163 L169 L170 Y173 R174 P175 A181 A182 L216P132-L178 HydrophobicContact CB-CB 4.37Å; P132-L178 HydrophobicContact CG-CB 4.05Å; P132-L178 HydrophobicContact CG-CD1 4.28Å; L163-L178 HydrophobicContact CD1-CB 4.29Å; L163-L178 HydrophobicContact CD2-CD2 4.38Å; L169-L178 HydrophobicContact CB-CD2 4.37Å; L170-L178 HydrophobicContact CD2-CD1 3.77Å; Y173-L178 HydrophobicContact CD2-CD2 4.41Å; Y173-L178 HydrophobicContact CG-CD2 4.42Å; R174-L178 PolarHBondContact O-N 2.95Å; P175-L178 PolarHBondContact O-N 3.08Å; L178-A181 PolarHBondContact O-N 2.68Å; L178-A182 WeakPolarHBondContact O-CB 3.2Å; L178-A182 PolarHBondContact O-N 2.96Å; L178-L216 HydrophobicContact CD2-CD2 4.23Å
179A88.7Confident82Confident0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-61.2-44.9174.900000111.8P132 F135 V136 P175 S176 A182 L183P132-A179 HydrophobicContact CB-CB 4.32Å; P132-A179 WeakPolarHBondContact O-CB 3.26Å; F135-A179 HydrophobicContact CB-CB 3.51Å; F135-A179 HydrophobicContact CG-CB 4.49Å; V136-A179 HydrophobicContact CG2-CB 3.93Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.44Å; P175-A179 PolarHBondContact O-N 3.17Å; S176-A179 PolarHBondContact O-N 3.33Å; A179-A182 PolarHBondContact O-N 2.69Å; A179-L183 WeakPolarHBondContact O-CB 3.15Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 3.5Å
180Y85.9Confident81.1Confident1 Ų128.9 Ų28.90%0.00416%0.159CC..Hα-helixtrans-58.7-51.3173.8174.6-112.3000111.1S176 T177 A182 L183 S184 D200 L203 L207 V209 V213S176-Y180 WeakPolarHBondContact O-CB 3.33Å; S176-Y180 PolarHBondContact O-N 3.01Å; T177-Y180 PolarHBondContact O-N 2.97Å; Y180-A182 VanDerWaalsContact C-N 3.3Å; Y180-A182 PolarHBondContact O-N 3.48Å; Y180-L183 PolarHBondContact O-N 3.08Å; Y180-S184 WeakPolarHBondContact O-CB 3.09Å; Y180-S184 PolarHBondContact O-N 2.91Å; Y180-S184 PolarHBondContact O-OG 3.28Å; Y180-D200 VanDerWaalsContact CZ-OD1 3.25Å; Y180-D200 VanDerWaalsContact OH-CG 3.29Å; Y180-D200 PolarHBondContact OH-OD1 3.27Å; Y180-L203 HydrophobicContact CD2-CB 3.87Å; Y180-L203 HydrophobicContact CE2-CB 3.78Å; Y180-L207 HydrophobicContact CD2-CD1 4.22Å; Y180-L207 HydrophobicContact CG-CD1 4.35Å; Y180-V209 HydrophobicContact CD1-CB 4.3Å; Y180-V209 HydrophobicContact CD1-CG1 3.82Å; Y180-V209 HydrophobicContact CE1-CG1 4.23Å; Y180-V213 HydrophobicContact CD1-CB 4.23Å; Y180-V213 HydrophobicContact CD1-CG1 3.88Å; Y180-V213 HydrophobicContact CE1-CB 4.21Å; Y180-V213 HydrophobicContact CE1-CG1 4.28Å
181A82.7Confident80.3Confident1 Ų130.4 Ų30.41%0.00817%0.168CC..Hα-helixtrans-58.4-41.2179.700000112.6T177 L178 S184 L185 V213 L216 A217 I220T177-A181 WeakPolarHBondContact O-CB 3.37Å; T177-A181 PolarHBondContact O-N 3.21Å; L178-A181 PolarHBondContact O-N 2.68Å; A181-S184 PolarHBondContact O-N 2.89Å; A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 2.89Å; A181-L185 VanDerWaalsContact O-N 3.07Å; A181-V213 HydrophobicContact CB-CG1 3.98Å; A181-L216 HydrophobicContact CB-CD2 4.39Å; A181-A217 HydrophobicContact CB-CB 4.32Å; A181-I220 HydrophobicContact CB-CD1 3.81Å
182A83.1Confident79.5Confident1 Ų132.7 Ų32.71%0.00819%0.185CC..Hα-helixtrans-65.5-46.7176.500000112L156 V159 L160 L163 L178 A179 Y180 S184 L185 A186L156-A182 HydrophobicContact CD2-CB 4.25Å; L156-A182 VanDerWaalsContact CD2-O 3.23Å; L156-A182 WeakPolarHBondContact CD2-O 3.49Å; V159-A182 HydrophobicContact CG1-CB 4.24Å; L160-A182 HydrophobicContact CD2-CB 3.58Å; L160-A182 HydrophobicContact CG-CB 4.35Å; L163-A182 HydrophobicContact CD1-CB 4.23Å; L178-A182 WeakPolarHBondContact O-CB 3.2Å; L178-A182 PolarHBondContact O-N 2.96Å; A179-A182 PolarHBondContact O-N 2.69Å; Y180-A182 VanDerWaalsContact C-N 3.3Å; Y180-A182 PolarHBondContact O-N 3.48Å; A182-S184 VanDerWaalsContact C-N 3.32Å; A182-S184 PolarHBondContact O-N 3.07Å; A182-L185 PolarHBondContact O-N 3.03Å; A182-A186 PolarHBondContact O-N 3.25Å; A182-A186 VanDerWaalsContact O-N 3.08Å
183L82Confident78.7Confident4 Ų436 Ų362%0.02120%0.197CC..Hα-helixtrans-59.8-43.2175-79.3166.6000111.6V136 V139 L140 L156 A179 Y180 L185 A186 M187V136-L183 HydrophobicContact CG1-CD2 4.27Å; V136-L183 HydrophobicContact CG2-CD1 4.25Å; V136-L183 HydrophobicContact CG2-CG 4.11Å; V139-L183 HydrophobicContact CB-CD1 4.17Å; V139-L183 HydrophobicContact CG1-CD1 3.89Å; L140-L183 HydrophobicContact CD2-CD2 4.13Å; L140-L183 HydrophobicContact CG-CD2 4.44Å; L156-L183 HydrophobicContact CD1-CD2 3.78Å; L156-L183 HydrophobicContact CD1-CG 4.38Å; A179-L183 WeakPolarHBondContact O-CB 3.15Å; A179-L183 WeakPolarHBondContact O-CG 3.47Å; A179-L183 PolarHBondContact O-N 3.5Å; Y180-L183 PolarHBondContact O-N 3.08Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.43Å; L183-A186 PolarHBondContact O-N 3.09Å; L183-M187 WeakPolarHBondContact O-CB 3.36Å; L183-M187 VanDerWaalsContact O-CG 3.25Å; L183-M187 WeakPolarHBondContact O-CG 3.49Å; L183-M187 PolarHBondContact O-N 3.01Å
184S78.5Confident78Confident2 Ų240.6 Ų40.61%0.01422%0.218CC..Hα-helixtrans-59.2-45.8178.4-61.10000111.9Y180 A181 A182 A186 M187 E188 W196Y180-S184 WeakPolarHBondContact O-CB 3.09Å; Y180-S184 PolarHBondContact O-N 2.91Å; Y180-S184 PolarHBondContact O-OG 3.28Å; A181-S184 PolarHBondContact O-N 2.89Å; A182-S184 VanDerWaalsContact C-N 3.32Å; A182-S184 PolarHBondContact O-N 3.07Å; S184-A186 PolarHBondContact O-N 3.33Å; S184-M187 PolarHBondContact O-N 3.05Å; S184-E188 WeakPolarHBondContact O-CB 3.47Å; S184-E188 PolarHBondContact O-N 3.2Å; S184-W196 VanDerWaalsContact CB-CZ2 3.45Å; S184-W196 WeakPolarHBondContact OG-CH2 3.5Å
185L75.8Confident77.1Confident39 Ų3945.7 Ų45.720%0.20424%0.237CC..Hα-helixtrans-62.3-42.9177.8-174.165.4000112.2A181 A182 L183 S189A181-L185 WeakPolarHBondContact O-CB 3.47Å; A181-L185 PolarHBondContact O-N 2.89Å; A181-L185 VanDerWaalsContact O-N 3.07Å; A182-L185 PolarHBondContact O-N 3.03Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 3.43Å; L185-S189 PolarHBondContact O-N 3.45Å
186A74.5Confident76.1Confident15 Ų1546 Ų4612%0.12424%0.238CC..Hα-helixtrans-66.2-43.4177.400000112.3L156 A182 L183 S184 S189 S190L156-A186 HydrophobicContact CD2-CB 3.44Å; L156-A186 VanDerWaalsContact CD2-CB 3.44Å; L156-A186 HydrophobicContact CG-CB 4.11Å; A182-A186 PolarHBondContact O-N 3.25Å; A182-A186 VanDerWaalsContact O-N 3.08Å; L183-A186 PolarHBondContact O-N 3.09Å; S184-A186 PolarHBondContact O-N 3.33Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.46Å; A186-S190 PolarHBondContact O-N 2.9Å; A186-S190 PolarHBondContact O-OG 3.29Å
187M71.3Confident75.2Confident26 Ų2649.9 Ų49.913%0.12826%0.258CS..Hα-helixtrans-71.9-34.4-176.2-69.3-58.8-69.100112.9F144 L183 S184 S189 S190 T191 W196 L199F144-M187 HydrophobicContact CZ-CE 4.44Å; L183-M187 WeakPolarHBondContact O-CB 3.36Å; L183-M187 VanDerWaalsContact O-CG 3.25Å; L183-M187 WeakPolarHBondContact O-CG 3.49Å; L183-M187 PolarHBondContact O-N 3.01Å; S184-M187 PolarHBondContact O-N 3.05Å; M187-S189 VanDerWaalsContact C-N 3.27Å; M187-S189 PolarHBondContact O-N 2.93Å; M187-S190 PolarHBondContact O-N 3.38Å; M187-S190 PolarHBondContact O-OG 2.88Å; M187-T191 WeakPolarHBondContact CE-OG1 3.41Å; M187-T191 VanDerWaalsContact O-CB 3.24Å; M187-T191 WeakPolarHBondContact O-CB 3.33Å; M187-T191 PolarHBondContact O-N 3.41Å; M187-T191 PolarHBondContact O-OG1 2.93Å; M187-T191 VanDerWaalsContact O-OG1 3.13Å; M187-W196 HydrophobicContact CB-CD2 4.25Å; M187-W196 HydrophobicContact CB-CE3 3.32Å; M187-W196 HydrophobicContact CB-CZ3 3.51Å; M187-W196 HydrophobicContact CG-CE3 4.25Å; M187-W196 HydrophobicContact CG-CZ3 4.1Å; M187-L199 HydrophobicContact CE-CD2 3.23Å; M187-L199 HydrophobicContact CG-CD2 3.88Å; M187-L199 HydrophobicContact SD-CD2 4.14Å
188E68.8Low74.5Confident114 Ų11455.1 Ų55.153%0.53328%0.282SS..Hα-helixtrans-57.7-42172.6-178.5174.6-164.800111.1S184 S190S184-E188 WeakPolarHBondContact O-CB 3.47Å; S184-E188 PolarHBondContact O-N 3.2Å; E188-S190 PolarHBondContact O-N 3.25Å
189S67.4Low73.8Confident75 Ų7556.6 Ų56.652%0.52429%0.289SS..Hα-helixtrans-73.2-23.2-179.575.40000114.5R155 L185 A186 M187R155-S189 PolarHBondContact NH2-OG 3.02Å; L185-S189 PolarHBondContact O-N 3.45Å; A186-S189 PolarHBondContact O-N 3.06Å; A186-S189 PolarHBondContact O-OG 3.46Å; M187-S189 VanDerWaalsContact C-N 3.27Å; M187-S189 PolarHBondContact O-N 2.93Å
190S66.7Low73Confident71 Ų7157.4 Ų57.450%0.49729%0.293SS..Hα-helixtrans-109.7-17.4-169.569.60000114.8A186 M187 E188A186-S190 PolarHBondContact O-N 2.9Å; A186-S190 PolarHBondContact O-OG 3.29Å; M187-S190 PolarHBondContact O-N 3.38Å; M187-S190 PolarHBondContact O-OG 2.88Å; E188-S190 PolarHBondContact O-N 3.25Å
191T65.1Low72.6Confident35 Ų3559.6 Ų59.622%0.21531%0.312CS..SBendtrans-122.9146.2-165.2-47.20000111.6M187 H193 R195M187-T191 WeakPolarHBondContact CE-OG1 3.41Å; M187-T191 VanDerWaalsContact O-CB 3.24Å; M187-T191 WeakPolarHBondContact O-CB 3.33Å; M187-T191 PolarHBondContact O-N 3.41Å; M187-T191 PolarHBondContact O-OG1 2.93Å; M187-T191 VanDerWaalsContact O-OG1 3.13Å; T191-H193 PolarHBondContact O-N 2.97Å; T191-R195 HydrophobicContact CG2-CB 3.57Å
192S68.4Low72.2Confident84 Ų8462.1 Ų62.159%0.58733%0.327SS*.  trans-53.6131.4167.4177.40000111.2K194 R195 W196S192-K194 PolarHBondContact O-N 3.21Å; S192-R195 PolarHBondContact O-N 3.41Å; S192-W196 PolarHBondContact O-N 3.32Å; S192-W196 VanDerWaalsContact O-N 3.15Å
193H65.6Low72Confident131 Ų13162.2 Ų62.261%0.60633%0.328SS*.Hα-helixtrans-45.7-38.1-174.7-17364.1000114.2T191 W196 L197T191-H193 PolarHBondContact O-N 2.97Å; H193-W196 WeakPolarHBondContact O-CB 3.23Å; H193-W196 PolarHBondContact O-N 3.38Å; H193-L197 WeakPolarHBondContact O-CG 3.49Å; H193-L197 PolarHBondContact O-N 3.33Å; H193-L197 VanDerWaalsContact O-N 3.08Å
194K71.2Confident71.9Confident158 Ų15863.1 Ų63.169%0.68733%0.334SS*.Hα-helixtrans-68-40.2179.8-167177.9-176.7179.90113.5S192 W196 Q198S192-K194 PolarHBondContact O-N 3.21Å; K194-W196 VanDerWaalsContact C-N 3.34Å; K194-Q198 PolarHBondContact O-N 2.95Å
195R69Low72.1Confident182 Ų18271.1 Ų71.169%0.68737%0.369SS*.Hα-helixtrans-71.9-34176.8-72178.774.41632.6110.7T191 S192 Q198 L199T191-R195 HydrophobicContact CG2-CB 3.57Å; S192-R195 PolarHBondContact O-N 3.41Å; R195-Q198 PolarHBondContact O-N 3.49Å; R195-L199 PolarHBondContact O-N 2.83Å; R195-L199 VanDerWaalsContact O-N 3.11Å
196W67.8Low72.2Confident6 Ų671.7 Ų71.72%0.02337%0.371CS..Hα-helixtrans-59.4-54.2173.7167.3-123000111.6S184 M187 S192 H193 K194 Q198 L199 D200 F214S184-W196 VanDerWaalsContact CB-CZ2 3.45Å; S184-W196 WeakPolarHBondContact OG-CH2 3.5Å; M187-W196 HydrophobicContact CB-CD2 4.25Å; M187-W196 HydrophobicContact CB-CE3 3.32Å; M187-W196 HydrophobicContact CB-CZ3 3.51Å; M187-W196 HydrophobicContact CG-CE3 4.25Å; M187-W196 HydrophobicContact CG-CZ3 4.1Å; S192-W196 PolarHBondContact O-N 3.32Å; S192-W196 VanDerWaalsContact O-N 3.15Å; H193-W196 WeakPolarHBondContact O-CB 3.23Å; H193-W196 PolarHBondContact O-N 3.38Å; K194-W196 VanDerWaalsContact C-N 3.34Å; W196-Q198 PolarHBondContact O-N 3.48Å; W196-Q198 VanDerWaalsContact O-N 3.16Å; W196-L199 HydrophobicContact CE3-CB 4.5Å; W196-L199 HydrophobicContact CE3-CD2 4.47Å; W196-L199 HydrophobicContact CZ3-CD2 4.37Å; W196-L199 PolarHBondContact O-N 2.88Å; W196-D200 HydrophobicContact CD2-CB 4.35Å; W196-D200 HydrophobicContact CE3-CB 4.42Å; W196-D200 HydrophobicContact CH2-CB 3.74Å; W196-D200 WeakPolarHBondContact CH2-OD1 3.21Å; W196-D200 HydrophobicContact CZ2-CB 3.78Å; W196-D200 WeakPolarHBondContact CZ2-OD1 3.41Å; W196-D200 HydrophobicContact CZ3-CB 4.14Å; W196-D200 VanDerWaalsContact O-CB 3.28Å; W196-D200 WeakPolarHBondContact O-CB 3.48Å; W196-D200 PolarHBondContact O-N 3.09Å; W196-F214 AromaticContact CE2-CE1 3.92Å; W196-F214 AromaticContact CE2-CZ 3.83Å; W196-F214 AromaticContact CZ2-CE1 3.62Å; W196-F214 HydrophobicContact CZ2-CE1 3.62Å; W196-F214 AromaticContact CZ2-CZ 3.41Å; W196-F214 HydrophobicContact CZ2-CZ 3.41Å; W196-F214 VanDerWaalsContact CZ2-CZ 3.41Å; W196-F214 AromaticContact NE1-CE1 3.61Å; W196-F214 AromaticContact NE1-CZ 3.71Å
197L71Confident72.4Confident85 Ų8571 Ų7145%0.44537%0.366SS..Hα-helixtrans-56.7-34.9180-69.7171.4000113.7H193 A201H193-L197 WeakPolarHBondContact O-CG 3.49Å; H193-L197 PolarHBondContact O-N 3.33Å; H193-L197 VanDerWaalsContact O-N 3.08Å; L197-A201 PolarHBondContact O-N 3.17Å; L197-A201 VanDerWaalsContact O-N 3.16Å
198Q73.9Confident72.7Confident128 Ų12876.7 Ų76.760%0.59840%0.397SS*.Hα-helixtrans-70.6-42176.2-70.3179.9-29.600112.4K194 R195 W196 T202K194-Q198 PolarHBondContact O-N 2.95Å; R195-Q198 PolarHBondContact O-N 3.49Å; W196-Q198 PolarHBondContact O-N 3.48Å; W196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-T202 PolarHBondContact O-N 2.79Å; Q198-T202 PolarHBondContact O-OG1 3.39Å
199L71.4Confident73Confident30 Ų3071.7 Ų71.716%0.15737%0.374CS..Hα-helixtrans-66.1-44.2177-176.965.1000110.3M187 R195 W196 T202 L203M187-L199 HydrophobicContact CE-CD2 3.23Å; M187-L199 HydrophobicContact CG-CD2 3.88Å; M187-L199 HydrophobicContact SD-CD2 4.14Å; R195-L199 PolarHBondContact O-N 2.83Å; R195-L199 VanDerWaalsContact O-N 3.11Å; W196-L199 HydrophobicContact CE3-CB 4.5Å; W196-L199 HydrophobicContact CE3-CD2 4.47Å; W196-L199 HydrophobicContact CZ3-CD2 4.37Å; W196-L199 PolarHBondContact O-N 2.88Å; L199-T202 CarbonylContact O-C 3.56Å; L199-T202 WeakPolarHBondContact O-CA 3.32Å; L199-T202 WeakPolarHBondContact O-CB 3.34Å; L199-T202 PolarHBondContact O-N 3.21Å; L199-L203 HydrophobicContact CD1-CD1 4.31Å; L199-L203 HydrophobicContact CD1-CG 4.16Å; L199-L203 HydrophobicContact CD2-CD1 4.25Å; L199-L203 HydrophobicContact CG-CD1 3.82Å; L199-L203 HydrophobicContact CG-CG 4.06Å; L199-L203 WeakPolarHBondContact O-CB 3.38Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.43Å
200D73.7Confident73.1Confident17 Ų1772.2 Ų72.29%0.09138%0.377CS..Hα-helixtrans-54.4-54.9177.9179.866.6000112.8Y180 W196 T202 L203 S204 F214Y180-D200 VanDerWaalsContact CZ-OD1 3.25Å; Y180-D200 VanDerWaalsContact OH-CG 3.29Å; Y180-D200 PolarHBondContact OH-OD1 3.27Å; W196-D200 HydrophobicContact CD2-CB 4.35Å; W196-D200 HydrophobicContact CE3-CB 4.42Å; W196-D200 HydrophobicContact CH2-CB 3.74Å; W196-D200 WeakPolarHBondContact CH2-OD1 3.21Å; W196-D200 HydrophobicContact CZ2-CB 3.78Å; W196-D200 WeakPolarHBondContact CZ2-OD1 3.41Å; W196-D200 HydrophobicContact CZ3-CB 4.14Å; W196-D200 VanDerWaalsContact O-CB 3.28Å; W196-D200 WeakPolarHBondContact O-CB 3.48Å; W196-D200 PolarHBondContact O-N 3.09Å; D200-T202 PolarHBondContact O-N 3.5Å; D200-T202 VanDerWaalsContact O-N 3.12Å; D200-L203 PolarHBondContact O-N 3.29Å; D200-L203 VanDerWaalsContact O-N 3.08Å; D200-S204 WeakPolarHBondContact O-CB 3.48Å; D200-S204 PolarHBondContact O-N 3.36Å; D200-F214 HydrophobicContact CB-CZ 4.3Å; D200-F214 WeakPolarHBondContact OD1-CE2 3.5Å; D200-F214 WeakPolarHBondContact OD1-CZ 3.38Å; D200-F214 WeakPolarHBondContact OD2-CE2 3.47Å
201A75.9Confident72.7Confident47 Ų4771.8 Ų71.839%0.38838%0.378SS..Hα-helixtrans-59.6-28177.200000112.7L197 K205L197-A201 PolarHBondContact O-N 3.17Å; L197-A201 VanDerWaalsContact O-N 3.16Å; A201-K205 WeakPolarHBondContact O-CD 3.39Å; A201-K205 VanDerWaalsContact O-CG 3.28Å; A201-K205 WeakPolarHBondContact O-CG 3.39Å
202T75.6Confident72.4Confident55 Ų5573.9 Ų73.934%0.33740%0.395SS..Hα-helixtrans-78.6-43.4176.2-54.50000111.3Q198 L199 D200 K205 I206Q198-T202 PolarHBondContact O-N 2.79Å; Q198-T202 PolarHBondContact O-OG1 3.39Å; L199-T202 CarbonylContact O-C 3.56Å; L199-T202 WeakPolarHBondContact O-CA 3.32Å; L199-T202 WeakPolarHBondContact O-CB 3.34Å; L199-T202 PolarHBondContact O-N 3.21Å; D200-T202 PolarHBondContact O-N 3.5Å; D200-T202 VanDerWaalsContact O-N 3.12Å; T202-K205 PolarHBondContact O-N 2.88Å; T202-I206 HydrophobicContact CG2-CD1 3.75Å; T202-I206 HydrophobicContact CG2-CG1 4.49Å; T202-I206 WeakPolarHBondContact O-CB 3.45Å; T202-I206 WeakPolarHBondContact O-CG1 3.41Å; T202-I206 PolarHBondContact O-N 3.01Å
203L77.9Confident71.9Confident3 Ų370.6 Ų70.62%0.01637%0.371CS..Hα-helixtrans-67.9-44.6-179.5-71.7-178.8000112.2V139 Y180 L199 D200 K205 I206 L207V139-L203 HydrophobicContact CG1-CD2 3.3Å; V139-L203 HydrophobicContact CG2-CD2 4.45Å; Y180-L203 HydrophobicContact CD2-CB 3.87Å; Y180-L203 HydrophobicContact CE2-CB 3.78Å; L199-L203 HydrophobicContact CD1-CD1 4.31Å; L199-L203 HydrophobicContact CD1-CG 4.16Å; L199-L203 HydrophobicContact CD2-CD1 4.25Å; L199-L203 HydrophobicContact CG-CD1 3.82Å; L199-L203 HydrophobicContact CG-CG 4.06Å; L199-L203 WeakPolarHBondContact O-CB 3.38Å; L199-L203 WeakPolarHBondContact O-CG 3.46Å; L199-L203 PolarHBondContact O-N 3.43Å; D200-L203 PolarHBondContact O-N 3.29Å; D200-L203 VanDerWaalsContact O-N 3.08Å; L203-K205 VanDerWaalsContact C-N 3.27Å; L203-K205 PolarHBondContact O-N 3.49Å; L203-I206 PolarHBondContact O-N 3.01Å; L203-I206 VanDerWaalsContact O-N 3.16Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 PolarHBondContact O-N 3.12Å
204S81.2Confident71.4Confident23 Ų2367.4 Ų67.416%0.16136%0.355CS..Hα-helixtrans-57.2-41.5176.1157.40000111.5D200 N208 V209D200-S204 WeakPolarHBondContact O-CB 3.48Å; D200-S204 PolarHBondContact O-N 3.36Å; S204-N208 WeakPolarHBondContact O-CA 3.48Å; S204-N208 PolarHBondContact O-N 3.36Å; S204-V209 PolarHBondContact O-N 3.34Å; S204-V209 PolarHBondContact OG-O 3.34Å
205K81.8Confident70.8Confident169 Ų16965.8 Ų65.874%0.73535%0.353SS*.Hα-helixtrans-67-43.9175.1-73176.1-175.6177.20112.8A201 T202 L203 N208A201-K205 WeakPolarHBondContact O-CD 3.39Å; A201-K205 VanDerWaalsContact O-CG 3.28Å; A201-K205 WeakPolarHBondContact O-CG 3.39Å; T202-K205 PolarHBondContact O-N 2.88Å; L203-K205 VanDerWaalsContact C-N 3.27Å; L203-K205 PolarHBondContact O-N 3.49Å; K205-N208 PolarHBondContact O-N 2.71Å
206I77.1Confident70.4Confident51 Ų5157.6 Ų57.626%0.26232%0.323SS..Hα-helixtrans-65.2-42.3-178.5-76172.7000111.4L10 M142 T202 L203 N208L10-I206 HydrophobicContact CD2-CG2 3.27Å; M142-I206 HydrophobicContact CE-CG2 3.93Å; T202-I206 HydrophobicContact CG2-CD1 3.75Å; T202-I206 HydrophobicContact CG2-CG1 4.49Å; T202-I206 WeakPolarHBondContact O-CB 3.45Å; T202-I206 WeakPolarHBondContact O-CG1 3.41Å; T202-I206 PolarHBondContact O-N 3.01Å; L203-I206 PolarHBondContact O-N 3.01Å; L203-I206 VanDerWaalsContact O-N 3.16Å; I206-N208 VanDerWaalsContact C-N 3.32Å
207L79.4Confident70Confident2 Ų257.5 Ų57.51%0.0132%0.324CS..Hα-helixtrans-87.7-3.2-178.8-64.8171.5000112.8L10 F135 V139 Y180 L203 V209L10-L207 HydrophobicContact CD1-CD2 4.11Å; F135-L207 HydrophobicContact CB-CD2 4.48Å; F135-L207 HydrophobicContact CD1-CD2 3.91Å; V139-L207 HydrophobicContact CG2-CD1 4.29Å; V139-L207 HydrophobicContact CG2-CD2 4Å; V139-L207 HydrophobicContact CG2-CG 4.35Å; Y180-L207 HydrophobicContact CD2-CD1 4.22Å; Y180-L207 HydrophobicContact CG-CD1 4.35Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 PolarHBondContact O-N 3.12Å; L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 HydrophobicContact CB-CG2 3.72Å; L207-V209 WeakPolarHBondContact O-CG2 3.33Å; L207-V209 PolarHBondContact O-N 3.45Å
208N77.4Confident69.3Low145 Ų14557.1 Ų57.178%0.77533%0.328SS*.THydrogen-bonded Turntrans55.941.8-176.8-166.645.1000113.1S204 K205 I206S204-N208 WeakPolarHBondContact O-CA 3.48Å; S204-N208 PolarHBondContact O-N 3.36Å; K205-N208 PolarHBondContact O-N 2.71Å; I206-N208 VanDerWaalsContact C-N 3.32Å
209V76.1Confident68.4Low8 Ų857.8 Ų57.85%0.04833%0.329CS..  trans-106.8134.2-175.3-178.80000110.2T177 Y180 S204 L207 V213T177-V209 HydrophobicContact CG2-CG1 4.01Å; Y180-V209 HydrophobicContact CD1-CB 4.3Å; Y180-V209 HydrophobicContact CD1-CG1 3.82Å; Y180-V209 HydrophobicContact CE1-CG1 4.23Å; S204-V209 PolarHBondContact O-N 3.34Å; S204-V209 PolarHBondContact OG-O 3.34Å; L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 HydrophobicContact CB-CG2 3.72Å; L207-V209 WeakPolarHBondContact O-CG2 3.33Å; L207-V209 PolarHBondContact O-N 3.45Å; V209-V213 HydrophobicContact CG1-CB 3.96Å; V209-V213 HydrophobicContact CG1-CG1 4.31Å; V209-V213 HydrophobicContact CG1-CG2 3.51Å
210S68.8Low67.9Low86 Ų8656.6 Ų56.660%0.60132%0.323SS*.  trans-66.8138.2175.3-173.20000111.5S212 V213S210-S212 PolarHBondContact O-N 2.78Å; S210-S212 PolarHBondContact OG-OG 3.48Å; S210-V213 VanDerWaalsContact O-CG2 3.3Å; S210-V213 WeakPolarHBondContact O-CG2 3.49Å; S210-V213 PolarHBondContact O-N 3.29Å
211A59Low67Low62 Ų6258.7 Ų58.751%0.51234%0.339SS..G310 helixtrans-60.4-15.1-176.900000114.2V213 F214A211-V213 PolarHBondContact O-N 3.08Å; A211-F214 PolarHBondContact O-N 3.15Å
212S57.5Low65.7Low80 Ų8061.9 Ų61.956%0.55935%0.353SS*.G310 helixtrans-63.4-9.6175.755.30000114.3S210 F214 L215S210-S212 PolarHBondContact O-N 2.78Å; S210-S212 PolarHBondContact OG-OG 3.48Å; S212-F214 PolarHBondContact O-N 3.34Å; S212-L215 PolarHBondContact O-N 3.32Å
213V59.5Low64.4Low14 Ų1460.7 Ų60.79%0.08535%0.352CS..G310 helixtrans-72.3-12.6178.8176.70000113.1T177 Y180 A181 V209 S210 A211 L215 L216 A217T177-V213 HydrophobicContact CG2-CB 4.31Å; T177-V213 HydrophobicContact CG2-CG1 3.67Å; T177-V213 HydrophobicContact CG2-CG2 3.61Å; Y180-V213 HydrophobicContact CD1-CB 4.23Å; Y180-V213 HydrophobicContact CD1-CG1 3.88Å; Y180-V213 HydrophobicContact CE1-CB 4.21Å; Y180-V213 HydrophobicContact CE1-CG1 4.28Å; A181-V213 HydrophobicContact CB-CG1 3.98Å; V209-V213 HydrophobicContact CG1-CB 3.96Å; V209-V213 HydrophobicContact CG1-CG1 4.31Å; V209-V213 HydrophobicContact CG1-CG2 3.51Å; S210-V213 VanDerWaalsContact O-CG2 3.3Å; S210-V213 WeakPolarHBondContact O-CG2 3.49Å; S210-V213 PolarHBondContact O-N 3.29Å; A211-V213 PolarHBondContact O-N 3.08Å; V213-L215 PolarHBondContact O-N 3.47Å; V213-L216 HydrophobicContact CG1-CB 4.07Å; V213-L216 HydrophobicContact CG1-CD2 4.09Å; V213-L216 WeakPolarHBondContact O-CA 3.5Å; V213-L216 WeakPolarHBondContact O-CB 3.3Å; V213-L216 PolarHBondContact O-N 2.79Å; V213-A217 PolarHBondContact O-N 3.12Å; V213-A217 VanDerWaalsContact O-N 3.09Å
214F55.1Low62.9Low65 Ų6562.6 Ų62.629%0.28536%0.363SS..Hα-helixtrans-54.4-38.2167.1-93.4-82.9000113.1W196 D200 A211 S212 L216 A217 S218W196-F214 AromaticContact CE2-CE1 3.92Å; W196-F214 AromaticContact CE2-CZ 3.83Å; W196-F214 AromaticContact CZ2-CE1 3.62Å; W196-F214 HydrophobicContact CZ2-CE1 3.62Å; W196-F214 AromaticContact CZ2-CZ 3.41Å; W196-F214 HydrophobicContact CZ2-CZ 3.41Å; W196-F214 VanDerWaalsContact CZ2-CZ 3.41Å; W196-F214 AromaticContact NE1-CE1 3.61Å; W196-F214 AromaticContact NE1-CZ 3.71Å; D200-F214 HydrophobicContact CB-CZ 4.3Å; D200-F214 WeakPolarHBondContact OD1-CE2 3.5Å; D200-F214 WeakPolarHBondContact OD1-CZ 3.38Å; D200-F214 WeakPolarHBondContact OD2-CE2 3.47Å; A211-F214 PolarHBondContact O-N 3.15Å; S212-F214 PolarHBondContact O-N 3.34Å; F214-L216 PolarHBondContact O-N 3.08Å; F214-A217 PolarHBondContact O-N 3.37Å; F214-S218 PolarHBondContact O-N 3.45Å; F214-S218 VanDerWaalsContact O-N 3.15Å
215L57Low60.9Low123 Ų12366.8 Ų66.864%0.64439%0.393SS*.Hα-helixtrans-64.7-29.2175.6-63.9175.7000111.5S212 V213 K219S212-L215 PolarHBondContact O-N 3.32Å; V213-L215 PolarHBondContact O-N 3.47Å; L215-K219 VanDerWaalsContact O-CG 3.3Å; L215-K219 WeakPolarHBondContact O-CG 3.25Å; L215-K219 PolarHBondContact O-N 2.93Å; L215-K219 VanDerWaalsContact O-N 3.12Å
216L61.2Low58.5Low10 Ų1061.6 Ų61.65%0.05239%0.387CS..Hα-helixtrans-69.7-45.2173.4-175.564.6000111L169 Y173 T177 L178 A181 V213 F214 S218 K219 I220L169-L216 HydrophobicContact CD2-CD1 4.31Å; Y173-L216 HydrophobicContact CD1-CD2 3.82Å; Y173-L216 HydrophobicContact CD2-CD1 4.04Å; Y173-L216 HydrophobicContact CD2-CD2 3.84Å; Y173-L216 HydrophobicContact CE1-CD1 4.35Å; Y173-L216 HydrophobicContact CE1-CD2 3.94Å; Y173-L216 HydrophobicContact CE2-CD1 3.42Å; Y173-L216 VanDerWaalsContact CE2-CD1 3.42Å; Y173-L216 HydrophobicContact CE2-CD2 3.96Å; Y173-L216 HydrophobicContact CE2-CG 4.32Å; Y173-L216 HydrophobicContact CG-CD2 3.77Å; T177-L216 HydrophobicContact CG2-CD2 4.34Å; L178-L216 HydrophobicContact CD2-CD2 4.23Å; A181-L216 HydrophobicContact CB-CD2 4.39Å; V213-L216 HydrophobicContact CG1-CB 4.07Å; V213-L216 HydrophobicContact CG1-CD2 4.09Å; V213-L216 WeakPolarHBondContact O-CA 3.5Å; V213-L216 WeakPolarHBondContact O-CB 3.3Å; V213-L216 PolarHBondContact O-N 2.79Å; F214-L216 PolarHBondContact O-N 3.08Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.32Å; L216-K219 CarbonylContact O-C 3.57Å; L216-K219 WeakPolarHBondContact O-CB 3.48Å; L216-K219 PolarHBondContact O-N 3.45Å; L216-K219 VanDerWaalsContact O-N 3.08Å; L216-I220 HydrophobicContact CD1-CD1 4.31Å; L216-I220 HydrophobicContact CD1-CG1 4.32Å; L216-I220 HydrophobicContact CD2-CD1 4.22Å; L216-I220 HydrophobicContact CG-CD1 3.7Å; L216-I220 HydrophobicContact CG-CG1 4.19Å; L216-I220 WeakPolarHBondContact O-CB 3.19Å; L216-I220 WeakPolarHBondContact O-CG1 3.41Å; L216-I220 PolarHBondContact O-N 3.47Å
217A58.9Low56.6Low4 Ų463 Ų633%0.03340%0.398CS..Hα-helixtrans-57.5-42.3177.400000112A181 V213 F214 I220 S221A181-A217 HydrophobicContact CB-CB 4.32Å; V213-A217 PolarHBondContact O-N 3.12Å; V213-A217 VanDerWaalsContact O-N 3.09Å; F214-A217 PolarHBondContact O-N 3.37Å; A217-I220 PolarHBondContact O-N 2.94Å; A217-S221 PolarHBondContact O-N 3.09Å
218S57.5Low54.3Low77 Ų7768 Ų6854%0.53843%0.431SS..Hα-helixtrans-61.9-44.7173.1-179.70000112.3F214 L216 I220 S221 V222F214-S218 PolarHBondContact O-N 3.45Å; F214-S218 VanDerWaalsContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.32Å; S218-I220 VanDerWaalsContact C-N 3.34Å; S218-I220 PolarHBondContact O-N 3.07Å; S218-S221 PolarHBondContact O-N 2.88Å; S218-V222 PolarHBondContact O-N 3.24Å
219K54.9Low52.1Low143 Ų14370.1 Ų70.162%0.62244%0.436SS*.Hα-helixtrans-63.9-35.7175.1-74.8175.5-179.6-176.20113.3L215 L216 G223L215-K219 VanDerWaalsContact O-CG 3.3Å; L215-K219 WeakPolarHBondContact O-CG 3.25Å; L215-K219 PolarHBondContact O-N 2.93Å; L215-K219 VanDerWaalsContact O-N 3.12Å; L216-K219 CarbonylContact O-C 3.57Å; L216-K219 WeakPolarHBondContact O-CB 3.48Å; L216-K219 PolarHBondContact O-N 3.45Å; L216-K219 VanDerWaalsContact O-N 3.08Å; K219-G223 PolarHBondContact O-N 3.22Å; K219-G223 VanDerWaalsContact O-N 3.12Å
220I60Low50Low4 Ų478.8 Ų78.82%0.02147%0.473CS..Hα-helixtrans-65.5-47176.7-69.8164.6000109.7V159 L163 A181 L216 A217 S218 V222 G223 V224V159-I220 HydrophobicContact CG1-CG2 4.02Å; L163-I220 HydrophobicContact CD1-CD1 4.2Å; L163-I220 HydrophobicContact CD2-CB 4.25Å; L163-I220 HydrophobicContact CD2-CD1 3.44Å; L163-I220 VanDerWaalsContact CD2-CD1 3.44Å; L163-I220 HydrophobicContact CD2-CG1 3.52Å; L163-I220 HydrophobicContact CD2-CG2 3.7Å; L163-I220 HydrophobicContact CG-CD1 4.46Å; L163-I220 HydrophobicContact CG-CG2 4.39Å; A181-I220 HydrophobicContact CB-CD1 3.81Å; L216-I220 HydrophobicContact CD1-CD1 4.31Å; L216-I220 HydrophobicContact CD1-CG1 4.32Å; L216-I220 HydrophobicContact CD2-CD1 4.22Å; L216-I220 HydrophobicContact CG-CD1 3.7Å; L216-I220 HydrophobicContact CG-CG1 4.19Å; L216-I220 WeakPolarHBondContact O-CB 3.19Å; L216-I220 WeakPolarHBondContact O-CG1 3.41Å; L216-I220 PolarHBondContact O-N 3.47Å; A217-I220 PolarHBondContact O-N 2.94Å; S218-I220 VanDerWaalsContact C-N 3.34Å; S218-I220 PolarHBondContact O-N 3.07Å; I220-V222 VanDerWaalsContact C-N 3.27Å; I220-V222 PolarHBondContact O-N 2.81Å; I220-G223 PolarHBondContact O-N 3.2Å; I220-V224 HydrophobicContact CG2-CG2 3.88Å; I220-V224 WeakPolarHBondContact O-CG2 3.41Å; I220-V224 PolarHBondContact O-N 3.06Å
221S55.7Low48.1Very low61 Ų6177 Ų7743%0.42747%0.469SS..Hα-helixtrans-54.2-43.6177.4-172.20000112.1A217 S218 G223A217-S221 PolarHBondContact O-N 3.09Å; S218-S221 PolarHBondContact O-N 2.88Å; S221-G223 PolarHBondContact O-N 3.33Å
222V49Very low46.5Very low115 Ų11581.7 Ų81.770%0.69749%0.485SS*.Hα-helixtrans-66.5-36.7176.3179.10000112.3S218 I220S218-V222 PolarHBondContact O-N 3.24Å; I220-V222 VanDerWaalsContact C-N 3.27Å; I220-V222 PolarHBondContact O-N 2.81Å
223G47.2Very low45.5Very low30 Ų3083.2 Ų83.231%0.30948%0.482SS..Hα-helixtrans-78.7-30.5-178.200000115.1K219 I220 S221 S225 G226K219-G223 PolarHBondContact O-N 3.22Å; K219-G223 VanDerWaalsContact O-N 3.12Å; I220-G223 PolarHBondContact O-N 3.2Å; S221-G223 PolarHBondContact O-N 3.33Å; G223-S225 VanDerWaalsContact C-N 3.34Å; G223-G226 PolarHBondContact O-N 2.99Å
224V47.2Very low44.1Very low42 Ų4289 Ų8926%0.25552%0.517SS..Hα-helixtrans-74.6-26.8179.6176.30000111.3A162 I220 G226 V227A162-V224 HydrophobicContact CB-CG2 3.96Å; I220-V224 HydrophobicContact CG2-CG2 3.88Å; I220-V224 WeakPolarHBondContact O-CG2 3.41Å; I220-V224 PolarHBondContact O-N 3.06Å; V224-G226 PolarHBondContact O-N 3.44Å; V224-V227 WeakPolarHBondContact O-CG2 3.19Å; V224-V227 PolarHBondContact O-N 2.87Å
225S39.4Very low42.9Very low111 Ų11194.9 Ų94.978%0.77655%0.545SS*.THydrogen-bonded Turntrans-65.2-9.6175.3-158.60000114.3G223G223-S225 VanDerWaalsContact C-N 3.34Å
226G31.6Very low41.8Very low60 Ų6091.7 Ų91.762%0.61954%0.537SS*.THydrogen-bonded Turntrans-10410.7-17900000114.9G223 V224 P228G223-G226 PolarHBondContact O-N 2.99Å; V224-G226 PolarHBondContact O-N 3.44Å; G226-P228 VanDerWaalsContact O-CD 3.23Å; G226-P228 WeakPolarHBondContact O-CD 3.35Å
227V36Very low40.7Very low81 Ų8195.7 Ų95.749%0.49156%0.563SS.*  trans-68.6115.6173.2178.10000108V224 E229V224-V227 WeakPolarHBondContact O-CG2 3.19Å; V224-V227 PolarHBondContact O-N 2.87Å; V227-E229 PolarHBondContact O-N 3.16Å
228P30.6Very low39.4Very low107 Ų10799.3 Ų99.370%0.69559%0.587SS**  trans-64.4122.1175.624.6-30.4000109.4G226 K230G226-P228 VanDerWaalsContact O-CD 3.23Å; G226-P228 WeakPolarHBondContact O-CD 3.35Å; P228-K230 PolarHBondContact O-N 3.34Å; P228-K230 VanDerWaalsContact O-N 3.16Å
229E31.7Very low38.1Very low189 Ų189102.5 Ų102.588%0.88359%0.592SS**  trans-57.7116.3168.8-69.2-171.1158.800108.8V227 G231V227-E229 PolarHBondContact O-N 3.16Å; E229-G231 VanDerWaalsContact C-N 3.35Å; E229-G231 PolarHBondContact O-N 3.08Å
230K33.3Very low37.2Very low191 Ų191103.1 Ų103.183%0.8360%0.602SS**SBendtrans31.159.8159.6-72.7-176.8167.7-173.90115.1P228P228-K230 PolarHBondContact O-N 3.34Å; P228-K230 VanDerWaalsContact O-N 3.16Å
231G27.2Very low36.3Very low49 Ų49105 Ų10551%0.50562%0.615SS.*  trans-100.1106173.900000111.2E229 F233E229-G231 VanDerWaalsContact C-N 3.35Å; E229-G231 PolarHBondContact O-N 3.08Å; G231-F233 PolarHBondContact O-N 2.8Å
232D26.7Very low35.4Very low160 Ų160106 Ų10686%0.85661%0.612SS**  trans5253.7156.8-55.3-23000118.3
233F36.3Very low35.1Very low112 Ų112103.4 Ų103.449%0.49161%0.608SS.*  trans-92.6105154.8-87.9-89.9000109.9W47 G231W47-F233 HydrophobicContact CB-CD1 4.34Å; W47-F233 HydrophobicContact CB-CE1 4Å; W47-F233 HydrophobicContact CB-CZ 4.26Å; W47-F233 AromaticContact CD1-CD1 3.43Å; W47-F233 VanDerWaalsContact CD1-CD1 3.43Å; W47-F233 AromaticContact CD1-CE1 3.9Å; W47-F233 AromaticContact CD1-CG 3.95Å; W47-F233 HydrophobicContact CG-CD1 4.07Å; W47-F233 HydrophobicContact CG-CE1 4.08Å; G231-F233 PolarHBondContact O-N 2.8Å
234V29Very low34.9Very low136 Ų136108.2 Ų108.282%0.82462%0.622SS**  trans-39.2130.7-179.4175.60000114.4
235Q29.8Very low34.7Very low187 Ų187106.4 Ų106.487%0.87461%0.611SS**  trans-59.5136.4170.6-172.8172.7-7.100113.4
236A34.3Very low34.9Very low57 Ų57103.3 Ų103.347%0.47159%0.59SS.*  trans-169.1157.7156.900000114.7L106L106-A236 HydrophobicContact CD2-CB 3.77Å
237P37.9Very low35.7Very low93 Ų93103.1 Ų103.160%0.60458%0.579SS**  trans-106.2162.8-163.440.2-30.8000114.9
238C33Very low36.1Very low80 Ų80100.9 Ų100.954%0.54157%0.569SS.*  168.4129.7126-89.80000109.9
239F30.3Very low36.7Very low145 Ų14597 Ų9764%0.63654%0.542SS*.  trans-86.3160.9165.2-82.5-98.7000108.3
240D35.8Very low37.5Very low156 Ų15692.8 Ų92.883%0.83453%0.526SS*.  trans91.847.1175.3-53.4-24.4000118.5
241C39.9Very low38Very low44 Ų4489.5 Ų89.530%0.29751%0.513SS..  trans-120.4-10.2173.7-770000114.9V109 L245V109-C241 HydrophobicContact CG2-CB 3.41Å; V109-C241 VanDerWaalsContact CG2-CB 3.41Å; V109-C241 WeakPolarHBondContact CG2-SG 3.33Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å
242F38.2Very low38.7Very low82 Ų8293.3 Ų93.336%0.3651%0.512SS..Hα-helixtrans-81.2-41.7-171.8-168.1-97.6000113.7Y92 E244 L245 S246Y92-F242 HydrophobicContact CE2-CD2 4.48Å; F242-E244 VanDerWaalsContact C-N 3.31Å; F242-E244 PolarHBondContact O-N 3.04Å; F242-L245 PolarHBondContact O-N 2.7Å; F242-S246 PolarHBondContact O-N 3.47Å; F242-S246 VanDerWaalsContact O-N 3.07Å
243G42.3Very low39.4Very low59 Ų5988.2 Ų88.261%0.60849%0.489SS*.Hα-helixtrans-59.9-38.4-176.600000113.4S247G243-S247 WeakPolarHBondContact O-CB 3.49Å; G243-S247 PolarHBondContact O-OG 3.13Å
244E43.1Very low39.4Very low132 Ų13288.6 Ų88.662%0.61750%0.495SS*.Hα-helixtrans-73.5-27.8176.5-67.7-170.2162.200112.9F242 S247 A248F242-E244 VanDerWaalsContact C-N 3.31Å; F242-E244 PolarHBondContact O-N 3.04Å; E244-S247 WeakPolarHBondContact CA-OG 3.35Å; E244-S247 PolarHBondContact O-OG 3.47Å; E244-A248 WeakPolarHBondContact O-CB 3.37Å; E244-A248 PolarHBondContact O-N 3.49Å
245L41.6Very low39.5Very low3 Ų390.3 Ų90.32%0.01649%0.487CS..Hα-helixtrans-84.2-44-172-169.945.7000113Y92 V109 L112 I113 C241 F242 L249Y92-L245 HydrophobicContact CD1-CD2 4.14Å; Y92-L245 HydrophobicContact CE1-CD1 4.32Å; Y92-L245 HydrophobicContact CE1-CD2 3.14Å; Y92-L245 HydrophobicContact CE1-CG 3.65Å; Y92-L245 HydrophobicContact CE2-CD2 4.1Å; Y92-L245 WeakPolarHBondContact OH-CD2 3.44Å; Y92-L245 WeakPolarHBondContact OH-CG 3.42Å; V109-L245 HydrophobicContact CG1-CB 4.19Å; V109-L245 HydrophobicContact CG1-CD1 4.29Å; V109-L245 HydrophobicContact CG1-CD2 4.37Å; L112-L245 HydrophobicContact CD2-CD2 3.79Å; I113-L245 HydrophobicContact CB-CD1 4.41Å; I113-L245 HydrophobicContact CD1-CD1 3.57Å; I113-L245 HydrophobicContact CG1-CD1 3.06Å; I113-L245 HydrophobicContact CG1-CG 4.49Å; C241-L245 WeakPolarHBondContact O-CB 3.3Å; F242-L245 PolarHBondContact O-N 2.7Å; L245-L249 HydrophobicContact CD1-CD1 3.92Å; L245-L249 HydrophobicContact CG-CD1 4.43Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 WeakPolarHBondContact O-CD1 3.44Å; L245-L249 WeakPolarHBondContact O-CG 3.21Å; L245-L249 PolarHBondContact O-N 2.96Å
246S43.8Very low39.9Very low47 Ų4785.9 Ų85.933%0.32947%0.472SS..Hα-helixtrans-61.7-47.71721630000110.2F242 A248 L249 D250F242-S246 PolarHBondContact O-N 3.47Å; F242-S246 VanDerWaalsContact O-N 3.07Å; S246-A248 PolarHBondContact O-N 3.03Å; S246-L249 PolarHBondContact O-N 2.95Å; S246-D250 PolarHBondContact O-N 3.35Å
247S48.4Very low39.8Very low56 Ų5690.1 Ų90.139%0.39248%0.481SS..Hα-helixtrans-64.9-40.3179.659.40000113.5G243 E244 L249 Q251G243-S247 WeakPolarHBondContact O-CB 3.49Å; G243-S247 PolarHBondContact O-OG 3.13Å; E244-S247 WeakPolarHBondContact CA-OG 3.35Å; E244-S247 PolarHBondContact O-OG 3.47Å; S247-L249 PolarHBondContact O-N 3.29Å; S247-Q251 WeakPolarHBondContact O-CB 3.15Å; S247-Q251 WeakPolarHBondContact O-CG 3.21Å; S247-Q251 PolarHBondContact O-N 3.44Å
248A44.3Very low39.8Very low34 Ų3491.3 Ų91.328%0.28149%0.486SS..Hα-helixtrans-67.7-22.5177.700000113.6I113 E244 S246 R252I113-A248 HydrophobicContact CD1-CB 4.36Å; E244-A248 WeakPolarHBondContact O-CB 3.37Å; E244-A248 PolarHBondContact O-N 3.49Å; S246-A248 PolarHBondContact O-N 3.03Å; A248-R252 WeakPolarHBondContact O-CB 3.24Å
249L44Very low39.7Very low24 Ų2490.5 Ų90.513%0.12649%0.492CS..Hα-helixtrans-98.3-39.5-178.7-71.5168.5000112.9E116 L245 S246 S247 Q251 R252 C253E116-L249 WeakPolarHBondContact OE2-CD1 3.38Å; L245-L249 HydrophobicContact CD1-CD1 3.92Å; L245-L249 HydrophobicContact CG-CD1 4.43Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 WeakPolarHBondContact O-CD1 3.44Å; L245-L249 WeakPolarHBondContact O-CG 3.21Å; L245-L249 PolarHBondContact O-N 2.96Å; S246-L249 PolarHBondContact O-N 2.95Å; S247-L249 PolarHBondContact O-N 3.29Å; L249-Q251 VanDerWaalsContact C-N 3.26Å; L249-Q251 PolarHBondContact O-N 2.48Å; L249-R252 PolarHBondContact O-N 2.8Å; L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 3.31Å
250D48Very low39.8Very low102 Ų10288.7 Ų88.755%0.54550%0.497SS..Hα-helixtrans-57.2-44.7172.3-85.4-13.2000110.4S246 R252 L254S246-D250 PolarHBondContact O-N 3.35Å; D250-R252 PolarHBondContact O-N 3.16Å; D250-L254 WeakPolarHBondContact O-CB 3.42Å; D250-L254 VanDerWaalsContact O-CD1 3.25Å; D250-L254 WeakPolarHBondContact O-CD1 3.38Å; D250-L254 WeakPolarHBondContact O-CG 3.18Å; D250-L254 PolarHBondContact O-N 3.38Å
251Q44.7Very low39.5Very low121 Ų12190.6 Ų90.657%0.56549%0.493SS*.Hα-helixtrans-65.9-20.9176.6-70.3-173.9700114.1S247 L249 R255S247-Q251 WeakPolarHBondContact O-CB 3.15Å; S247-Q251 WeakPolarHBondContact O-CG 3.21Å; S247-Q251 PolarHBondContact O-N 3.44Å; L249-Q251 VanDerWaalsContact C-N 3.26Å; L249-Q251 PolarHBondContact O-N 2.48Å; Q251-R255 WeakPolarHBondContact O-CD 3.28Å; Q251-R255 VanDerWaalsContact O-CG 3.28Å; Q251-R255 WeakPolarHBondContact O-CG 3.28Å; Q251-R255 PolarHBondContact O-NE 2.93Å
252R42.2Very low38.9Very low129 Ų129100.5 Ų100.549%0.48752%0.524SS..Hα-helixtrans-105.7-37.5-172.3-146.4170.8-149.2-149.95.6113.6R117 A248 L249 D250 L254 R255 T256R117-R252 VanDerWaalsContact NH2-NH1 3.2Å; A248-R252 WeakPolarHBondContact O-CB 3.24Å; L249-R252 PolarHBondContact O-N 2.8Å; D250-R252 PolarHBondContact O-N 3.16Å; R252-L254 PolarHBondContact O-N 3.03Å; R252-R255 PolarHBondContact O-N 2.84Å; R252-T256 PolarHBondContact O-N 3.33Å; R252-T256 PolarHBondContact O-OG1 3.12Å; R252-T256 VanDerWaalsContact O-OG1 3.06Å
253C39.5Very low38.3Very low54 Ų5499.7 Ų99.737%0.36554%0.538SS..Hα-helixtrans-57.3-40.1165.4-890000110.5L249 R255 T256 F257L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 3.31Å; C253-R255 VanDerWaalsContact C-N 3.32Å; C253-R255 PolarHBondContact O-N 3.35Å; C253-T256 PolarHBondContact O-OG1 3.47Å; C253-F257 WeakPolarHBondContact O-CB 3.47Å; C253-F257 PolarHBondContact O-N 3.11Å
254L37.6Very low37.7Very low119 Ų119105.8 Ų105.862%0.62355%0.55SS**Hα-helixtrans-59.8-42.3171.9-73.9169.2000111.8D250 R252 T258D250-L254 WeakPolarHBondContact O-CB 3.42Å; D250-L254 VanDerWaalsContact O-CD1 3.25Å; D250-L254 WeakPolarHBondContact O-CD1 3.38Å; D250-L254 WeakPolarHBondContact O-CG 3.18Å; D250-L254 PolarHBondContact O-N 3.38Å; R252-L254 PolarHBondContact O-N 3.03Å; L254-T258 VanDerWaalsContact O-CG2 3.29Å; L254-T258 WeakPolarHBondContact O-CG2 3.46Å; L254-T258 PolarHBondContact O-N 3.06Å; L254-T258 PolarHBondContact O-OG1 3.16Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å
255R30.9Very low37.1Very low173 Ų173105.1 Ų105.165%0.65356%0.56SS**Hα-helixtrans-70.5-43.2-179-72.3177.3-163.6-160.26.2113.2Q251 R252 C253 T258 G259Q251-R255 WeakPolarHBondContact O-CD 3.28Å; Q251-R255 VanDerWaalsContact O-CG 3.28Å; Q251-R255 WeakPolarHBondContact O-CG 3.28Å; Q251-R255 PolarHBondContact O-NE 2.93Å; R252-R255 PolarHBondContact O-N 2.84Å; C253-R255 VanDerWaalsContact C-N 3.32Å; C253-R255 PolarHBondContact O-N 3.35Å; R255-T258 WeakPolarHBondContact CA-OG1 3.42Å; R255-T258 PolarHBondContact O-N 2.98Å; R255-T258 PolarHBondContact O-OG1 3.47Å; R255-G259 PolarHBondContact O-N 3.15Å; R255-G259 VanDerWaalsContact O-N 3.1Å
256T38.4Very low36.5Very low93 Ų93109.5 Ų109.557%0.57160%0.597SS**Hα-helixtrans-68.5-35.2176.440.20000112R252 C253 T258 G259R252-T256 PolarHBondContact O-N 3.33Å; R252-T256 PolarHBondContact O-OG1 3.12Å; R252-T256 VanDerWaalsContact O-OG1 3.06Å; C253-T256 PolarHBondContact O-OG1 3.47Å; T256-T258 VanDerWaalsContact C-N 3.35Å; T256-G259 PolarHBondContact O-N 3.39Å
257F33Very low35.8Very low147 Ų147111.7 Ų111.765%0.64561%0.612SS**Hα-helixtrans-70.7-29.9176.7-152.3-103.5000112.8C253C253-F257 WeakPolarHBondContact O-CB 3.47Å; C253-F257 PolarHBondContact O-N 3.11Å
258T37Very low35.1Very low117 Ų117114.6 Ų114.672%0.71863%0.63SS**Hα-helixtrans-79.6-16.9171.157.30000114.1L254 R255 T256L254-T258 VanDerWaalsContact O-CG2 3.29Å; L254-T258 WeakPolarHBondContact O-CG2 3.46Å; L254-T258 PolarHBondContact O-N 3.06Å; L254-T258 PolarHBondContact O-OG1 3.16Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; R255-T258 WeakPolarHBondContact CA-OG1 3.42Å; R255-T258 PolarHBondContact O-N 2.98Å; R255-T258 PolarHBondContact O-OG1 3.47Å; T256-T258 VanDerWaalsContact C-N 3.35Å
259G30.6Very low34.1Very low64 Ų64124.9 Ų124.966%0.6666%0.661SS**Hα-helixtrans-89.2-13.9-169.800000116.5R255 T256R255-G259 PolarHBondContact O-N 3.15Å; R255-G259 VanDerWaalsContact O-N 3.1Å; T256-G259 PolarHBondContact O-N 3.39Å
260S32.9Very low33.7Very low107 Ų107128.5 Ų128.575%0.74869%0.689SS**  trans-144.772.5-176.5-159.80000112.4
261R28.7Very low32.9Very low196 Ų196133 Ų13374%0.7470%0.704SS**  trans-110.386.5160.2-79.7-169.4-175.3-157.60.8109.7
262R28.6Very low32.2Very low252 Ų252134.4 Ų134.495%0.95172%0.721SS**  trans-116.3106.4149-75.3-167.9-157.5-166.66.5108.3
263G24.6Very low31.4Very low64 Ų64133.4 Ų133.466%0.6674%0.74SS**SBendtrans73107.6156.600000117
264H30.1Very low31Very low188 Ų188136.7 Ų136.787%0.8776%0.764SS**  146.4126.3128.6-76.476.3000110.6
265S30.8Very low30.6Very low117 Ų117135.7 Ų135.782%0.81877%0.772SS**  trans-8.7117.6-178.8550000118.4
266A29.3Very low30.4Very low95 Ų95132 Ų13279%0.78578%0.779SS**  trans-67.7128.5170.600000112
267S27.9Very low29.7Very low94 Ų94135.6 Ų135.666%0.65779%0.793SS**  trans-88.3151.6158.166.90000109.8W269S267-W269 PolarHBondContact O-N 3.08Å; S267-W269 VanDerWaalsContact O-N 3.14Å
268P33.2Very low29.3Very low117 Ų117134.2 Ų134.276%0.7680%0.797SS**SBendtrans-91.986-160.914.53.6000111.4
269W25Very low28.7Very low249 Ų249136.5 Ų136.594%0.94380%0.804SS**  trans-114.378.8152.3-66.977.8000106.8S267S267-W269 PolarHBondContact O-N 3.08Å; S267-W269 VanDerWaalsContact O-N 3.14Å
270S34.1Very low28.9Very low101 Ų101142 Ų14271%0.70684%0.843SS**  trans-145.926.4-174.467.20000115.9
271K31.3Very low28.7Very low196 Ų196143.7 Ų143.785%0.85285%0.848SS**SBendtrans-126.717.6-176.2-76.1-164.1177.1-175.80119.2
272T29.7Very low28.7Very low150 Ų150140.9 Ų140.992%0.9285%0.853SS**SBendtrans-133.24.5177.225.40000118.2
273A26.9Very low28.7Very low108 Ų108134.8 Ų134.889%0.89385%0.848SS**  trans-104.425.8178.900000114.9
274S30.6Very low28.9Very low124 Ų124138.9 Ų138.987%0.86786%0.859SS**  trans-9822.6-174.7-162.90000115.1
275A28.4Very low28.9Very low97 Ų97135.9 Ų135.980%0.80286%0.858SS**SBendtrans-142.760.6-178.700000113.4
276A27.4Very low28.7Very low97 Ų97137.1 Ų137.180%0.80286%0.861SS**  trans-158.952.9161.400000110.8
277I23.2Very low28.7Very low167 Ų167140.1 Ų140.186%0.85687%0.866SS**  trans-107.397.3159.7-63.1172.8000104.8
278T24.4Very low28.8Very low119 Ų119143.7 Ų143.773%0.7388%0.882SS**SBendtrans-174.1110.5149.2-69.50000108.6
279L25.6Very low28.4Very low164 Ų164145.9 Ų145.986%0.85989%0.892SS**  trans61101.6154.2-61.6165.6000119.2
280A34Very low28.7Very low179 Ų179136.5 Ų136.5100%1.47989%0.888SS**  170.10102.700000109.1

Retrieved 280 of 280 residues in 492.3 ms (Link to these results)

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