A0A087XME6_POEFO Loading...

Lysophosphatidic acid receptor 2a

AlphaFold DB , UniProt , Accession A0A087XME6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 356 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
1M34.6Very low48.2Very low243 Ų243126.5 Ų126.5100%1.19773%0.726SS**  01160-107.3171.3-119.400106.9
2T36.8Very low51.5Low123 Ų123123.4 Ų123.476%0.75570%0.695SS**  trans-59.2128.3-178.135.20000111.1
3I41.9Very low53.9Low157 Ų157117.8 Ų117.881%0.80567%0.669SS**  trans-106.2105.2155.6-63.5-179.8000105.2N5I3-N5 PolarHBondContact O-N 3.42Å; I3-N5 VanDerWaalsContact O-N 3.11Å
4D42.2Very low56.4Low124 Ų124121.4 Ų121.466%0.66369%0.685SS**  trans-59103.1171.3-63-52.5000109.8I6D4-I6 HydrophobicContact CB-CG1 4.38Å; D4-I6 PolarHBondContact O-N 3.47Å
5N36.5Very low58.8Low151 Ų151118.8 Ų118.881%0.80767%0.665SS**  trans-93.888.3156.7-97.2-4.9000107.6I3 T7I3-N5 PolarHBondContact O-N 3.42Å; I3-N5 VanDerWaalsContact O-N 3.11Å; N5-T7 VanDerWaalsContact C-N 3.31Å; N5-T7 PolarHBondContact O-N 3.32Å
6I40.5Very low61Low142 Ų142115.4 Ų115.473%0.72865%0.652SS**  trans-50.894.3167.2-59.5166.7000107.7D4 S8D4-I6 HydrophobicContact CB-CG1 4.38Å; D4-I6 PolarHBondContact O-N 3.47Å; I6-S8 PolarHBondContact O-N 3.12Å
7T44.7Very low63Low130 Ų130108.7 Ų108.780%0.79861%0.614SS**  trans-69.888.1158.247.30000106N5 S9N5-T7 VanDerWaalsContact C-N 3.31Å; N5-T7 PolarHBondContact O-N 3.32Å; T7-S9 PolarHBondContact O-N 3.44Å
8S43.8Very low64.7Low92 Ų92104.6 Ų104.664%0.64359%0.592SS**  trans-58.489.1161.6-52.30000106.9I6 S10I6-S8 PolarHBondContact O-N 3.12Å; S8-S10 PolarHBondContact O-N 3.16Å
9S56.2Low66.3Low105 Ų105102 Ų10273%0.73457%0.573SS**  trans-73.257.3171.361.70000108.7T7 C11T7-S9 PolarHBondContact O-N 3.44Å; S9-C11 VanDerWaalsContact C-N 3.32Å; S9-C11 PolarHBondContact O-N 3.07Å
10S68.4Low67.7Low81 Ų8197 Ų9757%0.56655%0.545SS*.  trans-71.596.1171.952.90000106.7S8 Y12S8-S10 PolarHBondContact O-N 3.16Å; S10-Y12 PolarHBondContact O-N 3.46Å
11C84.4Confident68.9Low43 Ų4393.2 Ų93.229%0.29152%0.522SS..  trans-56.5137.1174.9-161.90000109.6S9 S13 E176 C177S9-C11 VanDerWaalsContact C-N 3.32Å; S9-C11 PolarHBondContact O-N 3.07Å; C11-S13 PolarHBondContact O-N 3.21Å; C11-S13 PolarHBondContact SG-OG 2.99Å; C11-S13 VanDerWaalsContact SG-OG 3.37Å; C11-E176 PolarHBondContact SG-O 2.98Å; C11-C177 HydrophobicContact CB-CB 3.86Å; C11-C177 WeakPolarHBondContact CB-SG 3.41Å; C11-C177 WeakPolarHBondContact SG-CA 3.36Å; C11-C177 WeakPolarHBondContact SG-CB 3.46Å; C11-C177 PolarHBondContact SG-N 3.19Å; C11-C177 VanDerWaalsContact SG-N 3.36Å; C11-C177 CovalentContact SG-SG 2.05Å; C11-C177 PolarHBondContact SG-SG 3.44Å
12Y88.3Confident71.7Confident90 Ų9087.2 Ų87.235%0.35349%0.492SS..  trans-79.535.6-174.9-64.3-89.6000112.2S10 N14 Q15 F19 E176 L179S10-Y12 PolarHBondContact O-N 3.46Å; Y12-N14 VanDerWaalsContact C-N 3.26Å; Y12-N14 PolarHBondContact O-N 3.32Å; Y12-Q15 HydrophobicContact CD1-CG 4.15Å; Y12-Q15 WeakPolarHBondContact O-CB 3.29Å; Y12-Q15 PolarHBondContact O-N 2.9Å; Y12-F19 HydrophobicContact CD1-CE1 4.09Å; Y12-F19 AromaticContact CD1-CZ 4Å; Y12-F19 HydrophobicContact CD1-CZ 4Å; Y12-F19 HydrophobicContact CE1-CZ 4.33Å; Y12-F19 HydrophobicContact CG-CE1 4.3Å; Y12-E176 WeakPolarHBondContact CB-O 3.39Å; Y12-E176 WeakPolarHBondContact CD2-O 3.49Å; Y12-E176 PolarHBondContact N-O 3.01Å; Y12-L179 HydrophobicContact CD1-CD1 4.32Å; Y12-L179 HydrophobicContact CD2-CD1 3.72Å; Y12-L179 HydrophobicContact CD2-CD2 4.1Å; Y12-L179 HydrophobicContact CD2-CG 3.68Å; Y12-L179 HydrophobicContact CE1-CD1 4.01Å; Y12-L179 HydrophobicContact CE2-CD1 3.38Å; Y12-L179 HydrophobicContact CE2-CG 3.65Å; Y12-L179 HydrophobicContact CG-CD1 4.19Å; Y12-L179 HydrophobicContact CG-CD2 4.44Å; Y12-L179 HydrophobicContact CG-CG 4.39Å
13S82.8Confident74.4Confident51 Ų5184.1 Ų84.136%0.35747%0.468SS..THydrogen-bonded Turntrans-69.5-19.3-170.2-62.20000114.5C11 K105 E176C11-S13 PolarHBondContact O-N 3.21Å; C11-S13 PolarHBondContact SG-OG 2.99Å; C11-S13 VanDerWaalsContact SG-OG 3.37Å; S13-K105 VanDerWaalsContact CA-NZ 3.32Å; S13-K105 WeakPolarHBondContact O-CE 3.5Å; S13-K105 PolarHBondContact O-NZ 3.45Å; S13-E176 WeakPolarHBondContact CA-OE2 3.23Å; S13-E176 WeakPolarHBondContact CB-OE2 3.5Å; S13-E176 PolarHBondContact OG-OE2 3.34Å
14N88.3Confident76.7Confident168 Ų16876.8 Ų76.890%0.89843%0.431SS*.THydrogen-bonded Turntrans-88.2-4.2174.8-69.9-16.1000113.3Y12Y12-N14 VanDerWaalsContact C-N 3.26Å; Y12-N14 PolarHBondContact O-N 3.32Å
15Q93.1Very high79Confident82 Ų8276.9 Ų76.938%0.38343%0.432SS..SBendtrans-78.1149.8179.9-62.6-61.4-22.400111.8Y12 F19 F20 K105Y12-Q15 HydrophobicContact CD1-CG 4.15Å; Y12-Q15 WeakPolarHBondContact O-CB 3.29Å; Y12-Q15 PolarHBondContact O-N 2.9Å; Q15-F19 HydrophobicContact CB-CB 4.02Å; Q15-F19 HydrophobicContact CB-CD1 3.54Å; Q15-F19 HydrophobicContact CB-CE1 4.17Å; Q15-F19 HydrophobicContact CB-CG 3.83Å; Q15-F19 HydrophobicContact CG-CD1 3.78Å; Q15-F19 HydrophobicContact CG-CD2 4.44Å; Q15-F19 HydrophobicContact CG-CE1 3.94Å; Q15-F19 HydrophobicContact CG-CG 4.04Å; Q15-F19 HydrophobicContact CG-CZ 4.35Å; Q15-F20 HydrophobicContact CB-CE2 4.01Å; Q15-F20 HydrophobicContact CB-CZ 4.48Å; Q15-K105 WeakPolarHBondContact O-CD 3.43Å
16S94.1Very high81.4Confident65 Ų6571.5 Ų71.546%0.45540%0.401SS..  trans-77.6164.6179.368.80000111.9T18 F19 F20S16-T18 PolarHBondContact O-N 3.19Å; S16-F19 WeakPolarHBondContact O-CB 3.49Å; S16-F19 PolarHBondContact O-N 3.01Å; S16-F20 VanDerWaalsContact O-CD2 3.31Å; S16-F20 WeakPolarHBondContact O-CD2 3.35Å
17V94Very high83.5Confident1 Ų168.5 Ų68.51%0.00640%0.397CS..Hα-helixtrans-56.1-39.8174.1174.50000111F19 F20 Y21 L103 K105 W108 L188V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 PolarHBondContact O-N 3.25Å; V17-F20 PolarHBondContact O-N 3.33Å; V17-Y21 HydrophobicContact CG1-CD2 3.62Å; V17-Y21 HydrophobicContact CG1-CE2 3.47Å; V17-Y21 VanDerWaalsContact CG1-CE2 3.47Å; V17-Y21 VanDerWaalsContact O-CD2 3.3Å; V17-Y21 WeakPolarHBondContact O-CD2 3.46Å; V17-Y21 PolarHBondContact O-N 2.91Å; V17-Y21 VanDerWaalsContact O-N 3.13Å; V17-L103 VanDerWaalsContact CG2-O 3.31Å; V17-L103 WeakPolarHBondContact CG2-O 3.39Å; V17-K105 HydrophobicContact CG2-CG 4.06Å; V17-W108 HydrophobicContact CG1-CG 4.27Å; V17-W108 HydrophobicContact CG2-CB 4.04Å; V17-W108 HydrophobicContact CG2-CG 4.35Å; V17-L188 HydrophobicContact CG1-CD1 4.34Å
18T94.1Very high85.6Confident35 Ų3564 Ų6422%0.21537%0.369CS..Hα-helixtrans-58.7-36.9179.6-51.30000112.9S16 Y21 Q22S16-T18 PolarHBondContact O-N 3.19Å; T18-Y21 PolarHBondContact O-N 3.3Å; T18-Q22 HydrophobicContact CG2-CG 4.47Å; T18-Q22 WeakPolarHBondContact O-CG 3.46Å; T18-Q22 PolarHBondContact O-N 3.35Å
19F94.6Very high87.5Confident55 Ų5561.8 Ų61.824%0.24136%0.359CS..Hα-helixtrans-59.2-47.8176.4169.3-95.9000111.7Y12 Q15 S16 V17 Y21 Q22 H23 L179Y12-F19 HydrophobicContact CD1-CE1 4.09Å; Y12-F19 AromaticContact CD1-CZ 4Å; Y12-F19 HydrophobicContact CD1-CZ 4Å; Y12-F19 HydrophobicContact CE1-CZ 4.33Å; Y12-F19 HydrophobicContact CG-CE1 4.3Å; Q15-F19 HydrophobicContact CB-CB 4.02Å; Q15-F19 HydrophobicContact CB-CD1 3.54Å; Q15-F19 HydrophobicContact CB-CE1 4.17Å; Q15-F19 HydrophobicContact CB-CG 3.83Å; Q15-F19 HydrophobicContact CG-CD1 3.78Å; Q15-F19 HydrophobicContact CG-CD2 4.44Å; Q15-F19 HydrophobicContact CG-CE1 3.94Å; Q15-F19 HydrophobicContact CG-CG 4.04Å; Q15-F19 HydrophobicContact CG-CZ 4.35Å; S16-F19 WeakPolarHBondContact O-CB 3.49Å; S16-F19 PolarHBondContact O-N 3.01Å; V17-F19 VanDerWaalsContact C-N 3.28Å; V17-F19 PolarHBondContact O-N 3.25Å; F19-Y21 PolarHBondContact O-N 2.79Å; F19-Q22 PolarHBondContact O-N 3.36Å; F19-H23 PolarHBondContact O-N 3.4Å; F19-L179 HydrophobicContact CE1-CD1 4.28Å; F19-L179 HydrophobicContact CE1-CD2 4.01Å; F19-L179 HydrophobicContact CZ-CD1 4.15Å
20F94.5Very high88.8Confident1 Ų160 Ų600%0.00436%0.358CS..Hα-helixtrans-65.2-39.5178.5-67.8-82.9000111.9Q15 S16 V17 H23 A24 K105 E176 L179 P187 L188Q15-F20 HydrophobicContact CB-CE2 4.01Å; Q15-F20 HydrophobicContact CB-CZ 4.48Å; S16-F20 VanDerWaalsContact O-CD2 3.31Å; S16-F20 WeakPolarHBondContact O-CD2 3.35Å; V17-F20 PolarHBondContact O-N 3.33Å; F20-H23 PolarHBondContact O-N 3.22Å; F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 2.97Å; F20-K105 HydrophobicContact CE2-CD 4.14Å; F20-E176 HydrophobicContact CZ-CB 4.49Å; F20-E176 HydrophobicContact CZ-CG 4.18Å; F20-L179 HydrophobicContact CD1-CD2 4.08Å; F20-L179 HydrophobicContact CE1-CD2 3.8Å; F20-P187 HydrophobicContact CB-CB 4.03Å; F20-L188 HydrophobicContact CB-CD1 3.72Å; F20-L188 HydrophobicContact CB-CG 4.35Å; F20-L188 HydrophobicContact CD2-CD1 4.11Å; F20-L188 HydrophobicContact CD2-CG 4.11Å; F20-L188 HydrophobicContact CG-CD1 4Å; F20-L188 HydrophobicContact CG-CG 4.11Å
21Y94.1Very high89.8Confident18 Ų1862.9 Ų62.97%0.07137%0.367CS..Hα-helixtrans-63.5-40175.8-88.7-108.5000112.7V17 T18 F19 A24 K26 I28 T100 W108 R111 P187V17-Y21 HydrophobicContact CG1-CD2 3.62Å; V17-Y21 HydrophobicContact CG1-CE2 3.47Å; V17-Y21 VanDerWaalsContact CG1-CE2 3.47Å; V17-Y21 VanDerWaalsContact O-CD2 3.3Å; V17-Y21 WeakPolarHBondContact O-CD2 3.46Å; V17-Y21 PolarHBondContact O-N 2.91Å; V17-Y21 VanDerWaalsContact O-N 3.13Å; T18-Y21 PolarHBondContact O-N 3.3Å; F19-Y21 PolarHBondContact O-N 2.79Å; Y21-A24 PolarHBondContact O-N 3.26Å; Y21-K26 WeakPolarHBondContact CB-O 3.37Å; Y21-K26 HydrophobicContact CD1-CB 4.39Å; Y21-K26 HydrophobicContact CD1-CD 4.3Å; Y21-K26 HydrophobicContact CD1-CG 4.12Å; Y21-K26 VanDerWaalsContact CD1-O 3.27Å; Y21-K26 WeakPolarHBondContact CD1-O 3.2Å; Y21-K26 HydrophobicContact CE1-CD 4.22Å; Y21-K26 HydrophobicContact CE1-CG 4.44Å; Y21-K26 CarbonylContact O-C 3.58Å; Y21-K26 WeakPolarHBondContact O-CA 3.21Å; Y21-K26 PolarHBondContact O-N 2.97Å; Y21-I28 HydrophobicContact CD1-CD1 3.76Å; Y21-I28 HydrophobicContact CD1-CG1 3.48Å; Y21-I28 VanDerWaalsContact CD1-CG1 3.48Å; Y21-I28 HydrophobicContact CD2-CD1 4.19Å; Y21-I28 HydrophobicContact CE1-CD1 4.2Å; Y21-I28 HydrophobicContact CE1-CG1 4.11Å; Y21-I28 HydrophobicContact CG-CD1 3.75Å; Y21-I28 HydrophobicContact CG-CG1 3.84Å; Y21-T100 HydrophobicContact CE1-CG2 4.1Å; Y21-T100 HydrophobicContact CE2-CG2 4.16Å; Y21-W108 HydrophobicContact CE2-CZ2 4.46Å; Y21-W108 AromaticContact CE2-NE1 3.37Å; Y21-W108 AromaticContact CZ-NE1 3.56Å; Y21-W108 PolarHBondContact OH-NE1 3.26Å; Y21-R111 PolarHBondContact OH-NH2 3.35Å; Y21-P187 HydrophobicContact CD1-CG 4.14Å; Y21-P187 HydrophobicContact CD2-CB 3.96Å; Y21-P187 HydrophobicContact CD2-CG 3.81Å; Y21-P187 HydrophobicContact CE1-CG 4.22Å; Y21-P187 HydrophobicContact CE2-CB 4.24Å; Y21-P187 HydrophobicContact CE2-CG 3.91Å; Y21-P187 HydrophobicContact CG-CB 4.4Å; Y21-P187 HydrophobicContact CG-CG 3.95Å
22Q93.2Very high90Very high118 Ų11864.2 Ų64.255%0.55137%0.366SS*.Hα-helixtrans-64.4-46.4174-74.2174.5-14.900111.2T18 F19 A24 N25T18-Q22 HydrophobicContact CG2-CG 4.47Å; T18-Q22 WeakPolarHBondContact O-CG 3.46Å; T18-Q22 PolarHBondContact O-N 3.35Å; F19-Q22 PolarHBondContact O-N 3.36Å; Q22-A24 VanDerWaalsContact C-N 3.26Å; Q22-A24 PolarHBondContact O-N 2.87Å; Q22-N25 PolarHBondContact O-N 3.48Å; Q22-N25 VanDerWaalsContact O-N 3.12Å
23H92Very high90.1Very high57 Ų5763 Ų6326%0.26437%0.368SS..Hα-helixtrans-59.7-37.4176.7179.771.9000112.4F19 F20 N25 L179 K271F19-H23 PolarHBondContact O-N 3.4Å; F20-H23 PolarHBondContact O-N 3.22Å; H23-N25 PolarHBondContact O-N 3.4Å; H23-L179 PolarHBondContact NE2-O 2.71Å; H23-K271 PolarHBondContact CE1-NZ 3.33Å; H23-K271 WeakPolarHBondContact O-CE 3.22Å; H23-K271 PolarHBondContact O-NZ 3.42Å
24A90.9Very high90.3Very high3 Ų365.8 Ų65.83%0.02538%0.383CS..THydrogen-bonded Turntrans-75.16178.800000114.8F20 Y21 Q22 K26 P187F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 2.97Å; Y21-A24 PolarHBondContact O-N 3.26Å; Q22-A24 VanDerWaalsContact C-N 3.26Å; Q22-A24 PolarHBondContact O-N 2.87Å; A24-K26 HydrophobicContact CB-CB 4.46Å; A24-K26 PolarHBondContact O-N 3.45Å; A24-P187 HydrophobicContact CB-CB 3.85Å; A24-P187 HydrophobicContact CB-CG 3.8Å
25N89.8Confident90.1Very high126 Ų12665.7 Ų65.767%0.67437%0.37SS*.THydrogen-bonded Turntrans55.932.7-171.2-65.7-22000113Q22 H23Q22-N25 PolarHBondContact O-N 3.48Å; Q22-N25 VanDerWaalsContact O-N 3.12Å; H23-N25 PolarHBondContact O-N 3.4Å
26K88.1Confident89.8Confident38 Ų3862.4 Ų62.417%0.16536%0.355CS..  trans-125.856-179.6-169.3174.2-179.4167.80109.8Y21 A24 I28 T184 V185 P187 N276 E279Y21-K26 WeakPolarHBondContact CB-O 3.37Å; Y21-K26 HydrophobicContact CD1-CB 4.39Å; Y21-K26 HydrophobicContact CD1-CD 4.3Å; Y21-K26 HydrophobicContact CD1-CG 4.12Å; Y21-K26 VanDerWaalsContact CD1-O 3.27Å; Y21-K26 WeakPolarHBondContact CD1-O 3.2Å; Y21-K26 HydrophobicContact CE1-CD 4.22Å; Y21-K26 HydrophobicContact CE1-CG 4.44Å; Y21-K26 CarbonylContact O-C 3.58Å; Y21-K26 WeakPolarHBondContact O-CA 3.21Å; Y21-K26 PolarHBondContact O-N 2.97Å; A24-K26 HydrophobicContact CB-CB 4.46Å; A24-K26 PolarHBondContact O-N 3.45Å; K26-I28 PolarHBondContact O-N 2.94Å; K26-T184 WeakPolarHBondContact CD-O 3.38Å; K26-V185 PolarHBondContact NZ-O 3.48Å; K26-P187 HydrophobicContact CD-CG 4.43Å; K26-N276 PolarHBondContact NZ-OD1 3.42Å; K26-E279 VanDerWaalsContact CE-OE1 3.26Å; K26-E279 WeakPolarHBondContact CE-OE1 3.2Å; K26-E279 IonicContact NZ-OE1 2.74Å; K26-E279 PolarHBondContact NZ-OE1 2.85Å; K26-E279 IonicContact NZ-OE2 2.83Å; K26-E279 PolarHBondContact NZ-OE2 3.38Å
27A84.9Confident89.6Confident79 Ų7965.9 Ų65.965%0.65336%0.359SS*.PPolyproline II helixtrans-59133.9-177.200000111.7G29A27-G29 PolarHBondContact O-N 2.99Å
28I87.7Confident89.3Confident37 Ų3770.7 Ų70.719%0.1939%0.385CS..PPolyproline II helixtrans-81.7117.3176.4-52.9168.6000107.6Y21 K26 G97 T100 A101Y21-I28 HydrophobicContact CD1-CD1 3.76Å; Y21-I28 HydrophobicContact CD1-CG1 3.48Å; Y21-I28 VanDerWaalsContact CD1-CG1 3.48Å; Y21-I28 HydrophobicContact CD2-CD1 4.19Å; Y21-I28 HydrophobicContact CE1-CD1 4.2Å; Y21-I28 HydrophobicContact CE1-CG1 4.11Å; Y21-I28 HydrophobicContact CG-CD1 3.75Å; Y21-I28 HydrophobicContact CG-CG1 3.84Å; K26-I28 PolarHBondContact O-N 2.94Å; I28-G97 WeakPolarHBondContact CG2-O 3.36Å; I28-T100 HydrophobicContact CD1-CG2 3.79Å; I28-A101 HydrophobicContact CB-CB 4.47Å; I28-A101 HydrophobicContact CD1-CB 4.1Å; I28-A101 HydrophobicContact CG2-CB 4.11Å
29G83.8Confident88.9Confident44 Ų4470.2 Ų70.245%0.45438%0.382SS..PPolyproline II helixtrans-71.1143.1175.400000111.7A27 N31A27-G29 PolarHBondContact O-N 2.99Å; G29-N31 VanDerWaalsContact C-N 3.28Å; G29-N31 PolarHBondContact O-N 3.46Å
30G84Confident88.7Confident69 Ų6969 Ų6971%0.71138%0.378SS*.SBendtrans-71.5-22.1175.100000113.8
31N89.8Confident88.4Confident140 Ų14071.3 Ų71.375%0.74940%0.401SS*.SBendtrans-104.2146.5179.9-66.1-14000111G29 T33G29-N31 VanDerWaalsContact C-N 3.28Å; G29-N31 PolarHBondContact O-N 3.46Å; N31-T33 PolarHBondContact O-N 3.02Å
32W89.1Confident88.2Confident71 Ų7176.1 Ų76.127%0.26943%0.428SS..  trans-65.2129.9172.5-70.694.1000111.3D36 Y37 L40 P98 W99W32-D36 HydrophobicContact CE3-CB 3.64Å; W32-D36 HydrophobicContact CZ3-CB 3.96Å; W32-Y37 HydrophobicContact CB-CD2 4.23Å; W32-Y37 HydrophobicContact CB-CE1 4.18Å; W32-Y37 HydrophobicContact CB-CE2 3.42Å; W32-Y37 VanDerWaalsContact CB-CE2 3.42Å; W32-Y37 WeakPolarHBondContact CB-OH 3.48Å; W32-Y37 HydrophobicContact CG-CE1 4.31Å; W32-Y37 HydrophobicContact CG-CE2 4.37Å; W32-Y37 AromaticContact CG-CZ 3.89Å; W32-L40 HydrophobicContact CE3-CD1 3.97Å; W32-L40 HydrophobicContact CH2-CD1 3.68Å; W32-L40 HydrophobicContact CZ3-CD1 3.28Å; W32-L40 HydrophobicContact CZ3-CG 4.26Å; W32-P98 HydrophobicContact CD2-CG 3.96Å; W32-P98 HydrophobicContact CE3-CG 4.47Å; W32-P98 HydrophobicContact CG-CG 4.05Å; W32-W99 AromaticContact CH2-CD2 3.94Å; W32-W99 HydrophobicContact CH2-CD2 3.94Å; W32-W99 AromaticContact CH2-CE3 3.54Å; W32-W99 HydrophobicContact CH2-CE3 3.54Å; W32-W99 HydrophobicContact CH2-CH2 4.27Å; W32-W99 AromaticContact CH2-CZ3 3.74Å; W32-W99 HydrophobicContact CH2-CZ3 3.74Å; W32-W99 AromaticContact CZ2-CD2 3.69Å; W32-W99 HydrophobicContact CZ2-CD2 3.69Å; W32-W99 AromaticContact CZ2-CE2 3.76Å; W32-W99 AromaticContact CZ2-CE3 3.73Å; W32-W99 HydrophobicContact CZ2-CE3 3.73Å; W32-W99 HydrophobicContact CZ2-CG 4.34Å; W32-W99 HydrophobicContact CZ2-CH2 4Å; W32-W99 AromaticContact CZ2-CZ2 3.93Å; W32-W99 HydrophobicContact CZ2-CZ2 3.93Å; W32-W99 AromaticContact CZ2-CZ3 3.9Å; W32-W99 HydrophobicContact CZ2-CZ3 3.9Å
33T89.1Confident88.1Confident64 Ų6470.5 Ų70.539%0.39340%0.401SS..  trans-94.4158.8174.472.80000111.1N31 R35 D36 Y37N31-T33 PolarHBondContact O-N 3.02Å; T33-R35 PolarHBondContact O-N 3.41Å; T33-R35 VanDerWaalsContact O-N 3.13Å; T33-R35 PolarHBondContact OG1-N 3.03Å; T33-D36 WeakPolarHBondContact CB-OD2 3.43Å; T33-D36 PolarHBondContact N-OD2 3.47Å; T33-D36 VanDerWaalsContact N-OD2 3.11Å; T33-D36 PolarHBondContact O-N 3.43Å; T33-D36 PolarHBondContact OG1-N 2.86Å; T33-D36 PolarHBondContact OG1-OD2 3.44Å; T33-Y37 VanDerWaalsContact O-CD2 3.32Å; T33-Y37 WeakPolarHBondContact O-CD2 3.45Å; T33-Y37 PolarHBondContact O-N 3.43Å; T33-Y37 VanDerWaalsContact O-N 3.13Å
34T88.1Confident88.1Confident111 Ų11170.3 Ų70.368%0.68140%0.402SS*.Hα-helixtrans-53-35172.5-470000112D36 Y37 L38T34-D36 VanDerWaalsContact C-N 3.34Å; T34-Y37 PolarHBondContact O-N 3.24Å; T34-L38 HydrophobicContact CG2-CD1 4.42Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.44Å; T34-L38 PolarHBondContact O-N 3.33Å
35R83.8Confident88.3Confident165 Ų16573.3 Ų73.362%0.62342%0.421SS*.Hα-helixtrans-65.9-37.4177.3-64.6-177.4-179.3174.52.5112T33 L38 V39T33-R35 PolarHBondContact O-N 3.41Å; T33-R35 VanDerWaalsContact O-N 3.13Å; T33-R35 PolarHBondContact OG1-N 3.03Å; R35-L38 PolarHBondContact O-N 2.95Å; R35-V39 WeakPolarHBondContact O-CG2 3.44Å; R35-V39 PolarHBondContact O-N 3.31Å
36D87.1Confident88.5Confident13 Ų1368.5 Ų68.57%0.0740%0.395CS..Hα-helixtrans-71.6-40.9179.7-55.5-42.5000110.9W32 T33 T34 L38 V39 L40 K280W32-D36 HydrophobicContact CE3-CB 3.64Å; W32-D36 HydrophobicContact CZ3-CB 3.96Å; T33-D36 WeakPolarHBondContact CB-OD2 3.43Å; T33-D36 PolarHBondContact N-OD2 3.47Å; T33-D36 VanDerWaalsContact N-OD2 3.11Å; T33-D36 PolarHBondContact O-N 3.43Å; T33-D36 PolarHBondContact OG1-N 2.86Å; T33-D36 PolarHBondContact OG1-OD2 3.44Å; T34-D36 VanDerWaalsContact C-N 3.34Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 3.44Å; D36-V39 PolarHBondContact O-N 2.96Å; D36-L40 WeakPolarHBondContact O-CG 3.48Å; D36-L40 PolarHBondContact O-N 2.91Å; D36-K280 IonicContact OD1-NZ 3.78Å; D36-K280 PolarHBondContact OD1-NZ 3.01Å
37Y88.8Confident88.8Confident138 Ų13866.7 Ų66.754%0.54139%0.388SS..Hα-helixtrans-61.3-40172.4-71.7-62.5000112.7W32 T33 T34 L40 G41W32-Y37 HydrophobicContact CB-CD2 4.23Å; W32-Y37 HydrophobicContact CB-CE1 4.18Å; W32-Y37 HydrophobicContact CB-CE2 3.42Å; W32-Y37 VanDerWaalsContact CB-CE2 3.42Å; W32-Y37 WeakPolarHBondContact CB-OH 3.48Å; W32-Y37 HydrophobicContact CG-CE1 4.31Å; W32-Y37 HydrophobicContact CG-CE2 4.37Å; W32-Y37 AromaticContact CG-CZ 3.89Å; T33-Y37 VanDerWaalsContact O-CD2 3.32Å; T33-Y37 WeakPolarHBondContact O-CD2 3.45Å; T33-Y37 PolarHBondContact O-N 3.43Å; T33-Y37 VanDerWaalsContact O-N 3.13Å; T34-Y37 PolarHBondContact O-N 3.24Å; Y37-L40 PolarHBondContact O-N 2.85Å; Y37-G41 PolarHBondContact O-N 3.31Å
38L87.6Confident89.3Confident102 Ų10269 Ų6953%0.53438%0.383SS..Hα-helixtrans-64.1-42.6175.5-74.3171.5000112T34 R35 D36 G41 L42T34-L38 HydrophobicContact CG2-CD1 4.42Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.44Å; T34-L38 PolarHBondContact O-N 3.33Å; R35-L38 PolarHBondContact O-N 2.95Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 3.44Å; L38-G41 PolarHBondContact O-N 2.93Å; L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.05Å
39V86.6Confident89.7Confident26 Ų2671.5 Ų71.516%0.15840%0.396CS..Hα-helixtrans-64.1-43.1176.5169.80000111.2R35 D36 G43 K280R35-V39 WeakPolarHBondContact O-CG2 3.44Å; R35-V39 PolarHBondContact O-N 3.31Å; D36-V39 PolarHBondContact O-N 2.96Å; V39-G43 VanDerWaalsContact O-CA 3.28Å; V39-G43 WeakPolarHBondContact O-CA 3.4Å; V39-G43 PolarHBondContact O-N 3.23Å; V39-K280 HydrophobicContact CG2-CB 4.28Å; V39-K280 HydrophobicContact CG2-CD 4.04Å; V39-K280 HydrophobicContact CG2-CG 4.45Å
40L89.6Confident90.3Very high29 Ų2969.4 Ų69.415%0.15238%0.375CS..Hα-helixtrans-63.5-48.6175.4-75.1169.8000111.9W32 D36 Y37 L42 L44 I93W32-L40 HydrophobicContact CE3-CD1 3.97Å; W32-L40 HydrophobicContact CH2-CD1 3.68Å; W32-L40 HydrophobicContact CZ3-CD1 3.28Å; W32-L40 HydrophobicContact CZ3-CG 4.26Å; D36-L40 WeakPolarHBondContact O-CG 3.48Å; D36-L40 PolarHBondContact O-N 2.91Å; Y37-L40 PolarHBondContact O-N 2.85Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.46Å; L40-L44 HydrophobicContact CD2-CD1 3.97Å; L40-L44 HydrophobicContact CD2-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 3.47Å; L40-L44 VanDerWaalsContact O-N 3.11Å; L40-I93 HydrophobicContact CD2-CG2 3.7Å
41G89.5Confident90.8Very high49 Ų4967.2 Ų67.251%0.50535%0.347SS..Hα-helixtrans-69-28.5-174.700000114.1Y37 L38 P45Y37-G41 PolarHBondContact O-N 3.31Å; L38-G41 PolarHBondContact O-N 2.93Å; G41-P45 VanDerWaalsContact O-CD 3.3Å; G41-P45 WeakPolarHBondContact O-CD 3.39Å; G41-P45 VanDerWaalsContact O-CG 3.27Å; G41-P45 WeakPolarHBondContact O-CG 3.36Å
42L89.3Confident91.1Very high119 Ų11964.8 Ų64.862%0.62333%0.334SS*.Hα-helixtrans-95.8-41.3175.8-64.2174.8000112.3L38 L40 L46L38-L42 WeakPolarHBondContact O-CB 3.18Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 3.05Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.46Å; L42-L46 VanDerWaalsContact O-CB 3.29Å; L42-L46 WeakPolarHBondContact O-CB 3.24Å; L42-L46 PolarHBondContact O-N 3.25Å
43G91.1Very high91.3Very high0 Ų062.5 Ų62.50%033%0.33CS..Hα-helixtrans-72.5-45.4-174.300000113.4V39 L46 S47V39-G43 VanDerWaalsContact O-CA 3.28Å; V39-G43 WeakPolarHBondContact O-CA 3.4Å; V39-G43 PolarHBondContact O-N 3.23Å; G43-L46 WeakPolarHBondContact O-CB 3.48Å; G43-L46 PolarHBondContact O-N 3.43Å; G43-S47 PolarHBondContact O-N 3.18Å; G43-S47 PolarHBondContact O-OG 3.09Å
44L92.3Very high91.6Very high54 Ų5459.5 Ų59.528%0.28331%0.311SS..Hα-helixtrans-63.3-45.4-178.3-69.2174.8000113.1L40 L46 S47 F48 T90 I93 L94L40-L44 HydrophobicContact CD2-CD1 3.97Å; L40-L44 HydrophobicContact CD2-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 3.47Å; L40-L44 VanDerWaalsContact O-N 3.11Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.29Å; L44-S47 PolarHBondContact O-N 3.01Å; L44-F48 WeakPolarHBondContact O-CB 3.43Å; L44-F48 PolarHBondContact O-N 3.44Å; L44-T90 HydrophobicContact CD2-CG2 4.48Å; L44-I93 HydrophobicContact CD1-CG2 4.45Å; L44-I93 HydrophobicContact CD2-CB 4.01Å; L44-I93 HydrophobicContact CD2-CG2 3.59Å; L44-I93 HydrophobicContact CG-CG2 3.61Å; L44-L94 HydrophobicContact CD1-CD2 3.98Å; L44-L94 HydrophobicContact CD2-CD2 3.78Å; L44-L94 HydrophobicContact CD2-CG 3.92Å
45P94.8Very high91.9Very high65 Ų6557.9 Ų57.942%0.42230%0.298SS..Hα-helixtrans-62.5-38.2173.9-24.636.9000112.4G41 F48 I49G41-P45 VanDerWaalsContact O-CD 3.3Å; G41-P45 WeakPolarHBondContact O-CD 3.39Å; G41-P45 VanDerWaalsContact O-CG 3.27Å; G41-P45 WeakPolarHBondContact O-CG 3.36Å; P45-F48 PolarHBondContact O-N 2.84Å; P45-I49 VanDerWaalsContact O-CG1 3.24Å; P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 2.87Å
46L94.2Very high92.3Very high25 Ų2551.9 Ų51.913%0.13128%0.279CS..Hα-helixtrans-61.4-51.1176.6-179.363.9000111.2L42 G43 L44 F48 I49 V50 V284 E287 L291L42-L46 VanDerWaalsContact O-CB 3.29Å; L42-L46 WeakPolarHBondContact O-CB 3.24Å; L42-L46 PolarHBondContact O-N 3.25Å; G43-L46 WeakPolarHBondContact O-CB 3.48Å; G43-L46 PolarHBondContact O-N 3.43Å; L44-L46 VanDerWaalsContact C-N 3.3Å; L44-L46 PolarHBondContact O-N 3.29Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.38Å; L46-I49 PolarHBondContact O-N 3.5Å; L46-I49 VanDerWaalsContact O-N 3.13Å; L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.32Å; L46-V284 HydrophobicContact CD2-CG1 4.31Å; L46-E287 HydrophobicContact CD2-CB 4.07Å; L46-E287 HydrophobicContact CD2-CG 3.78Å; L46-E287 HydrophobicContact CG-CG 4.09Å; L46-L291 HydrophobicContact CD1-CD1 3.45Å; L46-L291 VanDerWaalsContact CD1-CD1 3.45Å; L46-L291 HydrophobicContact CD1-CG 4.32Å
47S94.8Very high92.5Very high0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-56.9-42176.5-67.40000111.7G43 L44 V50 V51 T90 E287G43-S47 PolarHBondContact O-N 3.18Å; G43-S47 PolarHBondContact O-OG 3.09Å; L44-S47 PolarHBondContact O-N 3.01Å; S47-V50 WeakPolarHBondContact O-CB 3.5Å; S47-V50 PolarHBondContact O-N 3Å; S47-V51 WeakPolarHBondContact O-CG2 3.42Å; S47-V51 PolarHBondContact O-N 3.28Å; S47-T90 VanDerWaalsContact CB-OG1 3.3Å; S47-T90 WeakPolarHBondContact CB-OG1 3.32Å; S47-E287 VanDerWaalsContact CA-OE1 3.22Å; S47-E287 WeakPolarHBondContact CA-OE1 3.33Å; S47-E287 WeakPolarHBondContact CB-OE1 3.25Å; S47-E287 PolarHBondContact N-OE1 3.4Å; S47-E287 PolarHBondContact OG-OE1 2.95Å
48F95.1Very high92.6Very high128 Ų12846.9 Ų46.956%0.56126%0.26SS*.Hα-helixtrans-61.9-44.4177179.8-105.5000112.1L44 P45 L46 V50 V51 L52L44-F48 WeakPolarHBondContact O-CB 3.43Å; L44-F48 PolarHBondContact O-N 3.44Å; P45-F48 PolarHBondContact O-N 2.84Å; L46-F48 VanDerWaalsContact C-N 3.28Å; L46-F48 PolarHBondContact O-N 3.38Å; F48-V50 VanDerWaalsContact C-N 3.34Å; F48-V50 PolarHBondContact O-N 3.44Å; F48-V51 PolarHBondContact O-N 3.32Å; F48-L52 HydrophobicContact CD1-CD1 3.89Å; F48-L52 HydrophobicContact CE1-CD1 3.27Å; F48-L52 HydrophobicContact CE1-CG 4.16Å; F48-L52 HydrophobicContact CE2-CD1 4.18Å; F48-L52 HydrophobicContact CE2-CG 4.3Å; F48-L52 HydrophobicContact CZ-CD1 3.45Å; F48-L52 VanDerWaalsContact CZ-CD1 3.45Å; F48-L52 HydrophobicContact CZ-CD2 4.44Å; F48-L52 HydrophobicContact CZ-CG 4.06Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 3.44Å
49I95.5Very high92.7Very high90 Ų9043.7 Ų43.746%0.46225%0.248SC..Hα-helixtrans-64-40.8175.9-64.1164.1000110.4P45 L46 V51 L52 A53 L291P45-I49 VanDerWaalsContact O-CG1 3.24Å; P45-I49 WeakPolarHBondContact O-CG1 3.31Å; P45-I49 PolarHBondContact O-N 2.87Å; L46-I49 PolarHBondContact O-N 3.5Å; L46-I49 VanDerWaalsContact O-N 3.13Å; I49-V51 PolarHBondContact O-N 2.93Å; I49-L52 PolarHBondContact O-N 2.86Å; I49-A53 WeakPolarHBondContact O-CB 3.41Å; I49-A53 PolarHBondContact O-N 3.28Å; I49-L291 HydrophobicContact CB-CD2 4.45Å; I49-L291 HydrophobicContact CG2-CD1 4.26Å; I49-L291 HydrophobicContact CG2-CD2 3.77Å
50V95.6Very high92.8Very high0 Ų042.4 Ų42.40%024%0.241CC..Hα-helixtrans-57.8-48.7176.3169.70000111L46 S47 F48 N54 D82 L291L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.32Å; S47-V50 WeakPolarHBondContact O-CB 3.5Å; S47-V50 PolarHBondContact O-N 3Å; F48-V50 VanDerWaalsContact C-N 3.34Å; F48-V50 PolarHBondContact O-N 3.44Å; V50-N54 WeakPolarHBondContact O-CB 3.33Å; V50-N54 PolarHBondContact O-N 3.08Å; V50-N54 VanDerWaalsContact O-N 3.09Å; V50-N54 PolarHBondContact O-ND2 3.48Å; V50-D82 WeakPolarHBondContact CG1-O 3.37Å; V50-L291 HydrophobicContact CB-CD2 4.15Å; V50-L291 HydrophobicContact CG2-CD1 4.44Å; V50-L291 HydrophobicContact CG2-CD2 3.54Å; V50-L291 HydrophobicContact CG2-CG 3.61Å
51V96.3Very high92.6Very high23 Ų2341.6 Ų41.614%0.13924%0.236CC..Hα-helixtrans-60.6-50.7179.11670000110.5S47 F48 I49 L55 L83 L87S47-V51 WeakPolarHBondContact O-CG2 3.42Å; S47-V51 PolarHBondContact O-N 3.28Å; F48-V51 PolarHBondContact O-N 3.32Å; I49-V51 PolarHBondContact O-N 2.93Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 WeakPolarHBondContact O-CB 3.28Å; V51-L55 VanDerWaalsContact O-CG 3.23Å; V51-L55 WeakPolarHBondContact O-CG 3.47Å; V51-L55 PolarHBondContact O-N 3.43Å; V51-L83 HydrophobicContact CB-CD1 4.04Å; V51-L83 HydrophobicContact CG1-CD1 3.72Å; V51-L83 HydrophobicContact CG2-CD1 4.14Å; V51-L87 HydrophobicContact CG2-CD2 4.09Å; V51-L87 HydrophobicContact CG2-CG 4.34Å
52L94.8Very high92.5Very high89 Ų8945.7 Ų45.747%0.46625%0.246SC..Hα-helixtrans-63.2-45.1-179.8-72.6-176.7000113.1F48 I49 N54 L55 L56F48-L52 HydrophobicContact CD1-CD1 3.89Å; F48-L52 HydrophobicContact CE1-CD1 3.27Å; F48-L52 HydrophobicContact CE1-CG 4.16Å; F48-L52 HydrophobicContact CE2-CD1 4.18Å; F48-L52 HydrophobicContact CE2-CG 4.3Å; F48-L52 HydrophobicContact CZ-CD1 3.45Å; F48-L52 VanDerWaalsContact CZ-CD1 3.45Å; F48-L52 HydrophobicContact CZ-CD2 4.44Å; F48-L52 HydrophobicContact CZ-CG 4.06Å; F48-L52 WeakPolarHBondContact O-CG 3.48Å; F48-L52 PolarHBondContact O-N 3.44Å; I49-L52 PolarHBondContact O-N 2.86Å; L52-N54 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.32Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 3.03Å
53A94Very high92.1Very high23 Ų2345 Ų4519%0.1924%0.241CC..Hα-helixtrans-64.4-42.2-177.300000111.6I49 L56 V57 L291 P294I49-A53 WeakPolarHBondContact O-CB 3.41Å; I49-A53 PolarHBondContact O-N 3.28Å; A53-L56 WeakPolarHBondContact O-CB 3.32Å; A53-L56 PolarHBondContact O-N 3.39Å; A53-V57 WeakPolarHBondContact O-CG2 3.37Å; A53-V57 PolarHBondContact O-N 2.94Å; A53-V57 VanDerWaalsContact O-N 3.1Å; A53-L291 HydrophobicContact CB-CD2 4.3Å; A53-P294 HydrophobicContact CB-CB 4.01Å; A53-P294 HydrophobicContact CB-CG 3.89Å
54N95.2Very high91.6Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-76-31.7178.8-74-68.1000112.7V50 L52 L56 V57 M58 A79 L83 S290 P294V50-N54 WeakPolarHBondContact O-CB 3.33Å; V50-N54 PolarHBondContact O-N 3.08Å; V50-N54 VanDerWaalsContact O-N 3.09Å; V50-N54 PolarHBondContact O-ND2 3.48Å; L52-N54 PolarHBondContact O-N 3.44Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.24Å; N54-V57 PolarHBondContact O-N 3.07Å; N54-M58 WeakPolarHBondContact O-CG 3.4Å; N54-M58 PolarHBondContact O-N 3.4Å; N54-A79 HydrophobicContact CB-CB 4.5Å; N54-A79 WeakPolarHBondContact CB-O 3.45Å; N54-L83 HydrophobicContact CB-CB 4.04Å; N54-S290 PolarHBondContact ND2-O 2.81Å; N54-P294 WeakPolarHBondContact OD1-CG 3.39Å
55L94.4Very high90.8Very high78 Ų7853.9 Ų53.941%0.40827%0.273SS..Hα-helixtrans-60.1-42.5167.6-78.1170.1000111.7V51 L52 V57 M58 A59 L83V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 WeakPolarHBondContact O-CB 3.28Å; V51-L55 VanDerWaalsContact O-CG 3.23Å; V51-L55 WeakPolarHBondContact O-CG 3.47Å; V51-L55 PolarHBondContact O-N 3.43Å; L52-L55 PolarHBondContact O-N 3.32Å; L55-V57 PolarHBondContact O-N 3.46Å; L55-M58 HydrophobicContact CD2-CE 3.95Å; L55-M58 PolarHBondContact O-N 3.18Å; L55-A59 WeakPolarHBondContact O-CB 3.26Å; L55-A59 PolarHBondContact O-N 3.31Å; L55-L83 HydrophobicContact CD1-CD1 4.41Å; L55-L83 HydrophobicContact CD2-CD1 4.26Å; L55-L83 HydrophobicContact CD2-CD2 3.73Å; L55-L83 HydrophobicContact CG-CD1 3.84Å; L55-L83 HydrophobicContact CG-CD2 4.19Å
56L92.1Very high89.8Confident39 Ų3957.9 Ų57.920%0.20428%0.279CS..Hα-helixtrans-62.5-41.2176.8-177.766000111.8L52 A53 N54 A59 A60 F308 I311L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 3.03Å; A53-L56 WeakPolarHBondContact O-CB 3.32Å; A53-L56 PolarHBondContact O-N 3.39Å; N54-L56 VanDerWaalsContact C-N 3.32Å; N54-L56 PolarHBondContact O-N 3.24Å; L56-A59 PolarHBondContact O-N 3.15Å; L56-A60 WeakPolarHBondContact O-CB 3.36Å; L56-A60 PolarHBondContact O-N 3.36Å; L56-F308 HydrophobicContact CD1-CD1 4.23Å; L56-F308 HydrophobicContact CD2-CB 4.31Å; L56-F308 HydrophobicContact CD2-CD1 3.94Å; L56-F308 HydrophobicContact CD2-CE1 4.33Å; L56-F308 HydrophobicContact CD2-CG 4.03Å; L56-F308 HydrophobicContact CG-CD1 3.69Å; L56-F308 HydrophobicContact CG-CE1 3.88Å; L56-F308 HydrophobicContact CG-CG 4.3Å; L56-I311 HydrophobicContact CD1-CB 3.98Å; L56-I311 HydrophobicContact CD1-CD1 3.97Å; L56-I311 HydrophobicContact CD1-CG2 3.63Å
57V91.6Very high88.7Confident0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-58.6-51173.3171.30000110.8A53 N54 L55 A59 A60 I61 A79 P294 Y297 M304 F308A53-V57 WeakPolarHBondContact O-CG2 3.37Å; A53-V57 PolarHBondContact O-N 2.94Å; A53-V57 VanDerWaalsContact O-N 3.1Å; N54-V57 PolarHBondContact O-N 3.07Å; L55-V57 PolarHBondContact O-N 3.46Å; V57-A59 PolarHBondContact O-N 3.48Å; V57-A60 PolarHBondContact O-N 3.03Å; V57-I61 HydrophobicContact CG1-CD1 3.98Å; V57-I61 WeakPolarHBondContact O-CG1 3.37Å; V57-I61 PolarHBondContact O-N 3.03Å; V57-I61 VanDerWaalsContact O-N 3.12Å; V57-A79 HydrophobicContact CB-CB 3.98Å; V57-A79 HydrophobicContact CG1-CB 3.54Å; V57-P294 HydrophobicContact CG2-CB 4Å; V57-P294 HydrophobicContact CG2-CG 4Å; V57-Y297 HydrophobicContact CG1-CD2 4.27Å; V57-Y297 HydrophobicContact CG1-CE2 4.33Å; V57-Y297 HydrophobicContact CG2-CD2 4.15Å; V57-M304 HydrophobicContact CB-CE 4.1Å; V57-M304 HydrophobicContact CG1-CE 3.57Å; V57-M304 HydrophobicContact CG2-CE 3.79Å; V57-F308 HydrophobicContact CG2-CE1 4.46Å; V57-F308 HydrophobicContact CG2-CZ 3.82Å
58M91.5Very high87.8Confident46 Ų4660.3 Ų60.323%0.22729%0.289CS..Hα-helixtrans-62.7-43.6180-68.8-160.8-53.100112N54 L55 A60 I61 L62 A79 A80 L83N54-M58 WeakPolarHBondContact O-CG 3.4Å; N54-M58 PolarHBondContact O-N 3.4Å; L55-M58 HydrophobicContact CD2-CE 3.95Å; L55-M58 PolarHBondContact O-N 3.18Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 3.02Å; M58-I61 PolarHBondContact O-N 2.91Å; M58-L62 WeakPolarHBondContact O-CG 3.46Å; M58-L62 PolarHBondContact O-N 2.91Å; M58-A79 HydrophobicContact CG-CB 3.89Å; M58-A80 HydrophobicContact SD-CB 3.88Å; M58-L83 HydrophobicContact CE-CD2 3.34Å
59A88.9Confident86.6Confident34 Ų3458.6 Ų58.628%0.28128%0.282SS..Hα-helixtrans-59.1-44.2176.100000111.6L55 L56 V57 I61 L62 M63 I311L55-A59 WeakPolarHBondContact O-CB 3.26Å; L55-A59 PolarHBondContact O-N 3.31Å; L56-A59 PolarHBondContact O-N 3.15Å; V57-A59 PolarHBondContact O-N 3.48Å; A59-I61 VanDerWaalsContact C-N 3.33Å; A59-I61 PolarHBondContact O-N 3.3Å; A59-L62 PolarHBondContact O-N 3.47Å; A59-M63 WeakPolarHBondContact O-CB 3.4Å; A59-M63 WeakPolarHBondContact O-CG 3.3Å; A59-M63 PolarHBondContact O-N 3.14Å; A59-I311 HydrophobicContact CB-CD1 4.34Å
60A87.6Confident85.3Confident0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-60.2-41.2177.300000112.7L56 V57 M58 N64 F67 T307 F308 I311L56-A60 WeakPolarHBondContact O-CB 3.36Å; L56-A60 PolarHBondContact O-N 3.36Å; V57-A60 PolarHBondContact O-N 3.03Å; M58-A60 VanDerWaalsContact C-N 3.33Å; M58-A60 PolarHBondContact O-N 3.02Å; A60-N64 WeakPolarHBondContact O-CB 3.37Å; A60-N64 PolarHBondContact O-N 3.49Å; A60-F67 WeakPolarHBondContact O-CD2 3.43Å; A60-T307 HydrophobicContact CB-CG2 3.68Å; A60-F308 HydrophobicContact CB-CD1 3.9Å; A60-F308 HydrophobicContact CB-CE1 3.62Å; A60-I311 HydrophobicContact CB-CD1 4.05Å
61I87.1Confident84.2Confident12 Ų1258.1 Ų58.16%0.06228%0.281CS..Hα-helixtrans-64.8-42.5177.1-65.7167.9000111.1V57 M58 A59 F67 L75V57-I61 HydrophobicContact CG1-CD1 3.98Å; V57-I61 WeakPolarHBondContact O-CG1 3.37Å; V57-I61 PolarHBondContact O-N 3.03Å; V57-I61 VanDerWaalsContact O-N 3.12Å; M58-I61 PolarHBondContact O-N 2.91Å; A59-I61 VanDerWaalsContact C-N 3.33Å; A59-I61 PolarHBondContact O-N 3.3Å; I61-F67 HydrophobicContact CG2-CB 4.42Å; I61-L75 HydrophobicContact CD1-CB 4.47Å; I61-L75 HydrophobicContact CD1-CD2 4.42Å
62L85.6Confident83.4Confident135 Ų13559.5 Ų59.571%0.70728%0.284SS*.Hα-helixtrans-71.4-33.8-178.9-67.3173.8000113.2M58 A59M58-L62 WeakPolarHBondContact O-CG 3.46Å; M58-L62 PolarHBondContact O-N 2.91Å; A59-L62 PolarHBondContact O-N 3.47Å
63M82.8Confident82.8Confident105 Ų10559.3 Ų59.352%0.51728%0.278SS..Hα-helixtrans-81.8-30.4-176.3-67.1176.69400113A59 W310 I311A59-M63 WeakPolarHBondContact O-CB 3.4Å; A59-M63 WeakPolarHBondContact O-CG 3.3Å; A59-M63 PolarHBondContact O-N 3.14Å; M63-W310 HydrophobicContact CE-CH2 3.44Å; M63-W310 VanDerWaalsContact CE-CH2 3.44Å; M63-W310 HydrophobicContact CE-CZ3 3.27Å; M63-W310 HydrophobicContact SD-CZ3 3.9Å; M63-I311 HydrophobicContact SD-CD1 3.96Å; M63-I311 HydrophobicContact SD-CG1 3.97Å
64N78.8Confident82.3Confident26 Ų2658.8 Ų58.814%0.13927%0.272CS..  trans-102.1107.6-175-171.5-9.6000111.6A60 R66 F67 T307A60-N64 WeakPolarHBondContact O-CB 3.37Å; A60-N64 PolarHBondContact O-N 3.49Å; N64-R66 PolarHBondContact O-N 2.82Å; N64-R66 VanDerWaalsContact OD1-CB 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.39Å; N64-R66 PolarHBondContact OD1-N 3.35Å; N64-F67 HydrophobicContact CB-CD2 3.54Å; N64-F67 HydrophobicContact CB-CE2 3.69Å; N64-F67 HydrophobicContact CB-CG 4.31Å; N64-F67 WeakPolarHBondContact ND2-CE2 3.23Å; N64-F67 WeakPolarHBondContact O-CB 3.37Å; N64-F67 PolarHBondContact O-N 3.49Å; N64-T307 PolarHBondContact ND2-OG1 3.01Å
65R75.9Confident81.7Confident214 Ų21460.5 Ų60.581%0.80828%0.281SS*.G310 helixtrans-57-23.1177.3-76.4-170.1169.1178.1-1.5114F67 H68R65-F67 PolarHBondContact O-N 2.88Å; R65-H68 PolarHBondContact O-N 3.16Å; R65-H68 VanDerWaalsContact O-N 3.16Å
66R73.3Confident81.5Confident149 Ų14957.5 Ų57.556%0.56227%0.268SS*.G310 helixtrans-65.6-17175.1-64.9-176.7170.3177.8-4.3113N64 F69 E303N64-R66 PolarHBondContact O-N 2.82Å; N64-R66 VanDerWaalsContact OD1-CB 3.27Å; N64-R66 WeakPolarHBondContact OD1-CB 3.39Å; N64-R66 PolarHBondContact OD1-N 3.35Å; R66-F69 VanDerWaalsContact O-CD2 3.28Å; R66-F69 WeakPolarHBondContact O-CD2 3.17Å; R66-F69 WeakPolarHBondContact O-CE2 3.32Å; R66-E303 WeakPolarHBondContact CD-OE1 3.37Å; R66-E303 IonicContact CZ-OE1 3.83Å; R66-E303 IonicContact NH1-OE1 2.71Å; R66-E303 PolarHBondContact NH1-OE1 2.99Å
67F71.9Confident81.5Confident3 Ų356.1 Ų56.11%0.01326%0.261CS..G310 helixtrans-91.87.1175.9-57.2-36.6000113.3A60 I61 N64 R65 F69 Y72 E303 M304A60-F67 WeakPolarHBondContact O-CD2 3.43Å; I61-F67 HydrophobicContact CG2-CB 4.42Å; N64-F67 HydrophobicContact CB-CD2 3.54Å; N64-F67 HydrophobicContact CB-CE2 3.69Å; N64-F67 HydrophobicContact CB-CG 4.31Å; N64-F67 WeakPolarHBondContact ND2-CE2 3.23Å; N64-F67 WeakPolarHBondContact O-CB 3.37Å; N64-F67 PolarHBondContact O-N 3.49Å; R65-F67 PolarHBondContact O-N 2.88Å; F67-F69 PolarHBondContact O-N 3.37Å; F67-Y72 HydrophobicContact CB-CD1 4.09Å; F67-Y72 HydrophobicContact CB-CD2 4.11Å; F67-Y72 HydrophobicContact CB-CG 3.88Å; F67-Y72 AromaticContact CD1-CD1 3.9Å; F67-Y72 HydrophobicContact CD1-CD1 3.9Å; F67-Y72 HydrophobicContact CD1-CD2 4.38Å; F67-Y72 AromaticContact CD1-CE1 3.49Å; F67-Y72 HydrophobicContact CD1-CE1 3.49Å; F67-Y72 VanDerWaalsContact CD1-CE1 3.49Å; F67-Y72 HydrophobicContact CD1-CE2 4.03Å; F67-Y72 HydrophobicContact CD1-CG 4.34Å; F67-Y72 AromaticContact CD1-CZ 3.57Å; F67-Y72 AromaticContact CE1-CE1 4Å; F67-Y72 HydrophobicContact CE1-CE1 4Å; F67-Y72 HydrophobicContact CG-CD1 4.17Å; F67-Y72 HydrophobicContact CG-CE1 4.23Å; F67-Y72 HydrophobicContact CG-CG 4.44Å; F67-Y72 WeakPolarHBondContact O-CB 3.45Å; F67-Y72 VanDerWaalsContact O-CD2 3.29Å; F67-Y72 WeakPolarHBondContact O-CD2 3.45Å; F67-E303 HydrophobicContact CE1-CB 4.16Å; F67-E303 HydrophobicContact CE1-CG 4.01Å; F67-E303 HydrophobicContact CZ-CB 4.08Å; F67-E303 HydrophobicContact CZ-CG 3.85Å; F67-M304 HydrophobicContact CZ-CB 4.25Å
68H75.6Confident81.4Confident72 Ų7256.5 Ų56.533%0.33326%0.263SS..  trans-81.240.7177.3-66.8160000114.6R65R65-H68 PolarHBondContact O-N 3.16Å; R65-H68 VanDerWaalsContact O-N 3.16Å
69F70.3Confident81.5Confident93 Ų9354.3 Ų54.341%0.40825%0.253SS..SBendtrans-102.4152.3170.4-66-87.9000111.1R66 F67 I71 Y72 Y73 H143R66-F69 VanDerWaalsContact O-CD2 3.28Å; R66-F69 WeakPolarHBondContact O-CD2 3.17Å; R66-F69 WeakPolarHBondContact O-CE2 3.32Å; F67-F69 PolarHBondContact O-N 3.37Å; F69-I71 HydrophobicContact CB-CG2 4.14Å; F69-I71 PolarHBondContact O-N 2.91Å; F69-Y72 HydrophobicContact CB-CD2 3.9Å; F69-Y72 HydrophobicContact CB-CE2 4.25Å; F69-Y72 HydrophobicContact CD2-CD2 4.43Å; F69-Y72 HydrophobicContact CD2-CE2 4.2Å; F69-Y72 PolarHBondContact O-N 3.39Å; F69-Y73 WeakPolarHBondContact O-CD2 3.37Å; F69-H143 AromaticContact CD1-CE1 3.74Å; F69-H143 AromaticContact CD1-NE2 3.3Å; F69-H143 VanDerWaalsContact CD1-NE2 3.3Å; F69-H143 WeakPolarHBondContact CD1-NE2 3.21Å; F69-H143 AromaticContact CE1-CE1 3.88Å; F69-H143 AromaticContact CE1-NE2 3.46Å; F69-H143 WeakPolarHBondContact CE1-NE2 3.34Å
70P67.8Low81.8Confident22 Ų2254 Ų5414%0.14325%0.249CC..Hα-helixtrans-49-37.9-176.4-30.636.4000115.2Y72 Y73 L74 M146 V151P70-Y72 VanDerWaalsContact C-N 3.33Å; P70-Y72 PolarHBondContact O-N 3.21Å; P70-Y73 PolarHBondContact O-N 2.96Å; P70-L74 PolarHBondContact O-N 3.34Å; P70-M146 WeakPolarHBondContact CG-O 3.43Å; P70-V151 HydrophobicContact CB-CG2 4.22Å
71I72.8Confident82.1Confident57 Ų5754 Ų5429%0.29225%0.249SC..Hα-helixtrans-59.5-38.8178.6-175.5169.2000113.5F69 L74 L75F69-I71 HydrophobicContact CB-CG2 4.14Å; F69-I71 PolarHBondContact O-N 2.91Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-L75 PolarHBondContact O-N 2.88Å; I71-L75 VanDerWaalsContact O-N 3.11Å
72Y79.4Confident82.5Confident53 Ų5353.4 Ų53.421%0.20825%0.247CC..Hα-helixtrans-78.9-21.5-178.2-65.3-75.9000112.2F67 F69 P70 L75 G76F67-Y72 HydrophobicContact CB-CD1 4.09Å; F67-Y72 HydrophobicContact CB-CD2 4.11Å; F67-Y72 HydrophobicContact CB-CG 3.88Å; F67-Y72 AromaticContact CD1-CD1 3.9Å; F67-Y72 HydrophobicContact CD1-CD1 3.9Å; F67-Y72 HydrophobicContact CD1-CD2 4.38Å; F67-Y72 AromaticContact CD1-CE1 3.49Å; F67-Y72 HydrophobicContact CD1-CE1 3.49Å; F67-Y72 VanDerWaalsContact CD1-CE1 3.49Å; F67-Y72 HydrophobicContact CD1-CE2 4.03Å; F67-Y72 HydrophobicContact CD1-CG 4.34Å; F67-Y72 AromaticContact CD1-CZ 3.57Å; F67-Y72 AromaticContact CE1-CE1 4Å; F67-Y72 HydrophobicContact CE1-CE1 4Å; F67-Y72 HydrophobicContact CG-CD1 4.17Å; F67-Y72 HydrophobicContact CG-CE1 4.23Å; F67-Y72 HydrophobicContact CG-CG 4.44Å; F67-Y72 WeakPolarHBondContact O-CB 3.45Å; F67-Y72 VanDerWaalsContact O-CD2 3.29Å; F67-Y72 WeakPolarHBondContact O-CD2 3.45Å; F69-Y72 HydrophobicContact CB-CD2 3.9Å; F69-Y72 HydrophobicContact CB-CE2 4.25Å; F69-Y72 HydrophobicContact CD2-CD2 4.43Å; F69-Y72 HydrophobicContact CD2-CE2 4.2Å; F69-Y72 PolarHBondContact O-N 3.39Å; P70-Y72 VanDerWaalsContact C-N 3.33Å; P70-Y72 PolarHBondContact O-N 3.21Å; Y72-L75 HydrophobicContact CD1-CD2 4.14Å; Y72-L75 WeakPolarHBondContact O-CB 3.28Å; Y72-L75 PolarHBondContact O-N 3.43Å; Y72-G76 PolarHBondContact O-N 3.25Å
73Y82.9Confident83Confident85 Ų8548.2 Ų48.233%0.33322%0.219SC..Hα-helixtrans-68.2-38.4170-72.7-77.3000111.5F69 P70 G76 N77F69-Y73 WeakPolarHBondContact O-CD2 3.37Å; P70-Y73 PolarHBondContact O-N 2.96Å; Y73-G76 PolarHBondContact O-N 2.9Å; Y73-N77 WeakPolarHBondContact O-CB 2.96Å; Y73-N77 PolarHBondContact O-N 3.47Å
74L82Confident83.7Confident11 Ų1145.6 Ų45.66%0.05821%0.205CC..Hα-helixtrans-67.8-36.7172-69.5173.9000112P70 I71 N77 M78 N125 V129 V151 L154P70-L74 PolarHBondContact O-N 3.34Å; I71-L74 PolarHBondContact O-N 2.95Å; L74-N77 PolarHBondContact O-N 3.12Å; L74-M78 PolarHBondContact O-N 2.81Å; L74-N125 PolarHBondContact O-ND2 2.64Å; L74-V129 HydrophobicContact CB-CG2 4.22Å; L74-V129 HydrophobicContact CD1-CG2 4.32Å; L74-V151 HydrophobicContact CD2-CG1 4.23Å; L74-V151 HydrophobicContact CG-CG1 4.3Å; L74-L154 HydrophobicContact CD2-CD2 3.59Å
75L84.3Confident84.5Confident36 Ų3644.5 Ų44.519%0.18820%0.2CC..Hα-helixtrans-63.3-44.2172.7-157.378.6000111.8I61 I71 Y72 M78 A79 Y297 M304I61-L75 HydrophobicContact CD1-CB 4.47Å; I61-L75 HydrophobicContact CD1-CD2 4.42Å; I71-L75 PolarHBondContact O-N 2.88Å; I71-L75 VanDerWaalsContact O-N 3.11Å; Y72-L75 HydrophobicContact CD1-CD2 4.14Å; Y72-L75 WeakPolarHBondContact O-CB 3.28Å; Y72-L75 PolarHBondContact O-N 3.43Å; L75-M78 VanDerWaalsContact O-CB 3.27Å; L75-M78 WeakPolarHBondContact O-CB 3.24Å; L75-M78 PolarHBondContact O-N 3.21Å; L75-A79 PolarHBondContact O-N 3.43Å; L75-Y297 HydrophobicContact CD1-CD1 4.19Å; L75-Y297 HydrophobicContact CD1-CE1 3.41Å; L75-Y297 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y297 HydrophobicContact CD1-CE2 3.96Å; L75-Y297 WeakPolarHBondContact CD1-OH 3.27Å; L75-Y297 HydrophobicContact CD2-CD2 4.43Å; L75-Y297 HydrophobicContact CD2-CE2 4.27Å; L75-Y297 HydrophobicContact CG-CE1 4.23Å; L75-Y297 HydrophobicContact CG-CE2 3.92Å; L75-M304 HydrophobicContact CD2-CE 4.45Å; L75-M304 HydrophobicContact CD2-SD 4.27Å
76G89.1Confident85.5Confident15 Ų1534.3 Ų34.316%0.15516%0.161CC..Hα-helixtrans-64.3-40.1175.700000111.9Y72 Y73 M78 A79 A80Y72-G76 PolarHBondContact O-N 3.25Å; Y73-G76 PolarHBondContact O-N 2.9Å; G76-M78 VanDerWaalsContact C-N 3.3Å; G76-M78 PolarHBondContact O-N 3.36Å; G76-A79 PolarHBondContact O-N 3.41Å; G76-A80 WeakPolarHBondContact O-CB 3.47Å; G76-A80 PolarHBondContact O-N 2.89Å
77N92.1Very high86.6Confident10 Ų1031.8 Ų31.85%0.05316%0.158CC..Hα-helixtrans-64.3-35.7172.8-171.557.2000112.1Y73 L74 A80 A81 N125 I155 W159Y73-N77 WeakPolarHBondContact O-CB 2.96Å; Y73-N77 PolarHBondContact O-N 3.47Å; L74-N77 PolarHBondContact O-N 3.12Å; N77-A80 PolarHBondContact O-N 3.36Å; N77-A81 PolarHBondContact O-N 3.05Å; N77-N125 PolarHBondContact ND2-OD1 3.32Å; N77-I155 HydrophobicContact CB-CD1 4.02Å; N77-I155 HydrophobicContact CB-CG1 4Å; N77-I155 WeakPolarHBondContact OD1-CG2 3.14Å; N77-W159 PolarHBondContact OD1-NE1 2.93Å
78M90.1Very high87.8Confident9 Ų931.7 Ų31.74%0.04416%0.158CC..Hα-helixtrans-61-49.2172.8-161.3170.8-172.700111.1L74 L75 G76 A80 A81 D82 N125 L126 V248 N293 Y297L74-M78 PolarHBondContact O-N 2.81Å; L75-M78 VanDerWaalsContact O-CB 3.27Å; L75-M78 WeakPolarHBondContact O-CB 3.24Å; L75-M78 PolarHBondContact O-N 3.21Å; G76-M78 VanDerWaalsContact C-N 3.3Å; G76-M78 PolarHBondContact O-N 3.36Å; M78-A80 VanDerWaalsContact C-N 3.29Å; M78-A80 PolarHBondContact O-N 2.89Å; M78-A81 PolarHBondContact O-N 2.95Å; M78-A81 VanDerWaalsContact O-N 3.16Å; M78-D82 PolarHBondContact O-N 2.86Å; M78-N125 WeakPolarHBondContact CA-ND2 3.32Å; M78-N125 VanDerWaalsContact CB-ND2 3.29Å; M78-N125 WeakPolarHBondContact CB-ND2 3.29Å; M78-N125 PolarHBondContact N-ND2 2.92Å; M78-L126 HydrophobicContact CE-CD1 4.44Å; M78-L126 HydrophobicContact CE-CD2 3.58Å; M78-L126 HydrophobicContact CE-CG 3.99Å; M78-L126 HydrophobicContact SD-CD2 4.46Å; M78-V248 HydrophobicContact CE-CG1 3.59Å; M78-V248 HydrophobicContact SD-CG1 4.39Å; M78-N293 VanDerWaalsContact CE-CG 3.47Å; M78-N293 WeakPolarHBondContact CE-ND2 3.49Å; M78-N293 WeakPolarHBondContact CE-OD1 3.37Å; M78-Y297 PolarHBondContact SD-OH 2.8Å
79A93.1Very high88.8Confident0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-62.2-35.4176.200000112.5N54 V57 M58 L75 G76 L83N54-A79 HydrophobicContact CB-CB 4.5Å; N54-A79 WeakPolarHBondContact CB-O 3.45Å; V57-A79 HydrophobicContact CB-CB 3.98Å; V57-A79 HydrophobicContact CG1-CB 3.54Å; M58-A79 HydrophobicContact CG-CB 3.89Å; L75-A79 PolarHBondContact O-N 3.43Å; G76-A79 PolarHBondContact O-N 3.41Å; A79-L83 VanDerWaalsContact O-CB 3.23Å; A79-L83 WeakPolarHBondContact O-CB 3.36Å; A79-L83 PolarHBondContact O-N 3.37Å
80A94.9Very high89.9Confident26 Ų2625.7 Ų25.722%0.21513%0.134CC..Hα-helixtrans-66.1-40.3174.400000112.2M58 G76 N77 M78 F84 W159M58-A80 HydrophobicContact SD-CB 3.88Å; G76-A80 WeakPolarHBondContact O-CB 3.47Å; G76-A80 PolarHBondContact O-N 2.89Å; N77-A80 PolarHBondContact O-N 3.36Å; M78-A80 VanDerWaalsContact C-N 3.29Å; M78-A80 PolarHBondContact O-N 2.89Å; A80-F84 WeakPolarHBondContact O-CB 3.37Å; A80-F84 PolarHBondContact O-N 3.32Å; A80-W159 HydrophobicContact CB-CZ2 4.44Å
81A95.2Very high91.3Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-65.3-42.9175.300000111.9N77 M78 F84 A85 A121 W159N77-A81 PolarHBondContact O-N 3.05Å; M78-A81 PolarHBondContact O-N 2.95Å; M78-A81 VanDerWaalsContact O-N 3.16Å; A81-F84 WeakPolarHBondContact O-CB 3.29Å; A81-F84 PolarHBondContact O-N 3.44Å; A81-A85 PolarHBondContact O-N 3.34Å; A81-A121 HydrophobicContact CB-CB 4.14Å; A81-W159 HydrophobicContact CB-CZ2 4.5Å
82D95.4Very high92.3Very high1 Ų126 Ų261%0.00514%0.135CC..Hα-helixtrans-69.8-35.8176.8-68.3-34.7000112.5V50 M78 F84 A85 G86 N293V50-D82 WeakPolarHBondContact CG1-O 3.37Å; M78-D82 PolarHBondContact O-N 2.86Å; D82-F84 VanDerWaalsContact C-N 3.34Å; D82-A85 WeakPolarHBondContact O-CB 3.48Å; D82-A85 PolarHBondContact O-N 3.3Å; D82-G86 PolarHBondContact O-N 3.31Å; D82-N293 PolarHBondContact OD2-ND2 3.47Å
83L95.9Very high92.9Very high25 Ų2523.8 Ų23.813%0.13113%0.127CC..Hα-helixtrans-60-47.3170.5173.764.1000110.7V51 N54 L55 M58 A79 A85 G86 L87V51-L83 HydrophobicContact CB-CD1 4.04Å; V51-L83 HydrophobicContact CG1-CD1 3.72Å; V51-L83 HydrophobicContact CG2-CD1 4.14Å; N54-L83 HydrophobicContact CB-CB 4.04Å; L55-L83 HydrophobicContact CD1-CD1 4.41Å; L55-L83 HydrophobicContact CD2-CD1 4.26Å; L55-L83 HydrophobicContact CD2-CD2 3.73Å; L55-L83 HydrophobicContact CG-CD1 3.84Å; L55-L83 HydrophobicContact CG-CD2 4.19Å; M58-L83 HydrophobicContact CE-CD2 3.34Å; A79-L83 VanDerWaalsContact O-CB 3.23Å; A79-L83 WeakPolarHBondContact O-CB 3.36Å; A79-L83 PolarHBondContact O-N 3.37Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 3.4Å; L83-G86 PolarHBondContact O-N 3.45Å; L83-L87 PolarHBondContact O-N 3.02Å
84F97Very high93.4Very high50 Ų5023.6 Ų23.622%0.21913%0.131CC..Hα-helixtrans-62.4-39.7176.7178.9-97.4000111.4A80 A81 D82 L87 A88 L114 I117 W159A80-F84 WeakPolarHBondContact O-CB 3.37Å; A80-F84 PolarHBondContact O-N 3.32Å; A81-F84 WeakPolarHBondContact O-CB 3.29Å; A81-F84 PolarHBondContact O-N 3.44Å; D82-F84 VanDerWaalsContact C-N 3.34Å; F84-L87 PolarHBondContact O-N 2.95Å; F84-A88 WeakPolarHBondContact O-CB 3.47Å; F84-A88 PolarHBondContact O-N 3.37Å; F84-L114 VanDerWaalsContact CE1-O 3.27Å; F84-L114 WeakPolarHBondContact CE1-O 3.28Å; F84-L114 HydrophobicContact CE2-CD2 3.94Å; F84-L114 HydrophobicContact CZ-CB 4.46Å; F84-L114 HydrophobicContact CZ-CD2 3.52Å; F84-I117 HydrophobicContact CD1-CG2 4.41Å; F84-I117 HydrophobicContact CE1-CB 3.85Å; F84-I117 HydrophobicContact CE1-CG2 3.58Å; F84-I117 HydrophobicContact CZ-CB 4.28Å; F84-I117 HydrophobicContact CZ-CG2 3.96Å; F84-W159 HydrophobicContact CB-CH2 3.88Å; F84-W159 HydrophobicContact CB-CZ3 4.43Å; F84-W159 HydrophobicContact CD1-CH2 4.29Å; F84-W159 HydrophobicContact CD1-CZ3 4.07Å; F84-W159 HydrophobicContact CD2-CZ3 4.41Å; F84-W159 HydrophobicContact CE1-CZ3 4.45Å; F84-W159 AromaticContact CG-CH2 4Å; F84-W159 HydrophobicContact CG-CH2 4Å; F84-W159 HydrophobicContact CG-CZ3 4.05Å
85A96.3Very high93.9Very high3 Ų325.1 Ų25.13%0.02514%0.14CC..Hα-helixtrans-58-48.1171.600000111.2A81 D82 L83 L87 A88 Y89A81-A85 PolarHBondContact O-N 3.34Å; D82-A85 WeakPolarHBondContact O-CB 3.48Å; D82-A85 PolarHBondContact O-N 3.3Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 3.4Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 3.43Å; A85-A88 CarbonylContact O-C 3.22Å; A85-A88 WeakPolarHBondContact O-CA 3.47Å; A85-A88 WeakPolarHBondContact O-CB 3.22Å; A85-A88 PolarHBondContact O-N 3.23Å; A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 WeakPolarHBondContact O-CD2 3.43Å; A85-Y89 PolarHBondContact O-N 2.99Å
86G96.3Very high94.2Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-57.6-39.8176.700000113.6D82 L83 T90D82-G86 PolarHBondContact O-N 3.31Å; L83-G86 PolarHBondContact O-N 3.45Å; G86-T90 WeakPolarHBondContact O-CB 3.3Å; G86-T90 PolarHBondContact O-N 2.89Å; G86-T90 PolarHBondContact O-OG1 2.93Å
87L96.8Very high94.2Very high96 Ų9624.4 Ų24.450%0.50314%0.136SC..Hα-helixtrans-67.7-40.4173.4-66.1175.5000112.2V51 L83 F84 A85 T90 N91V51-L87 HydrophobicContact CG2-CD2 4.09Å; V51-L87 HydrophobicContact CG2-CG 4.34Å; L83-L87 PolarHBondContact O-N 3.02Å; F84-L87 PolarHBondContact O-N 2.95Å; A85-L87 VanDerWaalsContact C-N 3.31Å; A85-L87 PolarHBondContact O-N 3.43Å; L87-T90 PolarHBondContact O-N 3.47Å; L87-N91 PolarHBondContact O-N 3.48Å
88A96.8Very high94.1Very high1 Ų124.9 Ų24.91%0.00814%0.139CC..Hα-helixtrans-63.5-44.8176.100000111.9F84 A85 N91 L92 L114 I115F84-A88 WeakPolarHBondContact O-CB 3.47Å; F84-A88 PolarHBondContact O-N 3.37Å; A85-A88 CarbonylContact O-C 3.22Å; A85-A88 WeakPolarHBondContact O-CA 3.47Å; A85-A88 WeakPolarHBondContact O-CB 3.22Å; A85-A88 PolarHBondContact O-N 3.23Å; A88-N91 PolarHBondContact O-N 3.23Å; A88-L92 WeakPolarHBondContact O-CB 3.49Å; A88-L92 PolarHBondContact O-N 2.91Å; A88-L114 HydrophobicContact CB-CB 3.64Å; A88-I115 HydrophobicContact CB-CD1 3.71Å; A88-I115 HydrophobicContact CB-CG1 4.45Å
89Y95.7Very high94.2Very high2 Ų230 Ų301%0.00816%0.159CC..Hα-helixtrans-65-41.1174.9-82.6-75.2000111.9A85 N91 L92 I93 I115 W256 L283 A286 E287A85-Y89 HydrophobicContact CB-CD2 4.43Å; A85-Y89 WeakPolarHBondContact O-CD2 3.43Å; A85-Y89 PolarHBondContact O-N 2.99Å; Y89-N91 VanDerWaalsContact C-N 3.32Å; Y89-N91 PolarHBondContact O-N 2.9Å; Y89-L92 HydrophobicContact CD1-CD2 4.13Å; Y89-L92 HydrophobicContact CE1-CD2 4.38Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.9Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; Y89-I93 WeakPolarHBondContact O-CB 3.49Å; Y89-I93 WeakPolarHBondContact O-CD1 3.39Å; Y89-I93 VanDerWaalsContact O-CG1 3.24Å; Y89-I93 WeakPolarHBondContact O-CG1 3.34Å; Y89-I93 PolarHBondContact O-N 2.91Å; Y89-I115 HydrophobicContact CD1-CD1 4.07Å; Y89-I115 HydrophobicContact CD2-CD1 4.14Å; Y89-I115 HydrophobicContact CE1-CD1 4.18Å; Y89-I115 HydrophobicContact CE2-CD1 4.23Å; Y89-I115 HydrophobicContact CG-CD1 4.04Å; Y89-W256 WeakPolarHBondContact OH-CH2 3.43Å; Y89-L283 HydrophobicContact CE1-CD2 4.28Å; Y89-A286 WeakPolarHBondContact OH-CB 3.44Å; Y89-E287 HydrophobicContact CD1-CB 4.09Å; Y89-E287 HydrophobicContact CD1-CG 4.17Å; Y89-E287 HydrophobicContact CD2-CB 4.2Å; Y89-E287 HydrophobicContact CD2-CG 3.94Å; Y89-E287 HydrophobicContact CE1-CB 3.98Å; Y89-E287 HydrophobicContact CE2-CB 4.12Å; Y89-E287 HydrophobicContact CE2-CG 4.33Å; Y89-E287 HydrophobicContact CG-CB 4.21Å; Y89-E287 HydrophobicContact CG-CG 3.87Å
90T95Very high94.2Very high38 Ų3830.4 Ų30.423%0.23316%0.161CC..Hα-helixtrans-56.2-48.5172.6-56.80000110.4L44 S47 G86 L87 L92 I93 L94L44-T90 HydrophobicContact CD2-CG2 4.48Å; S47-T90 VanDerWaalsContact CB-OG1 3.3Å; S47-T90 WeakPolarHBondContact CB-OG1 3.32Å; G86-T90 WeakPolarHBondContact O-CB 3.3Å; G86-T90 PolarHBondContact O-N 2.89Å; G86-T90 PolarHBondContact O-OG1 2.93Å; L87-T90 PolarHBondContact O-N 3.47Å; T90-L92 PolarHBondContact O-N 2.9Å; T90-I93 PolarHBondContact O-N 3.5Å; T90-L94 HydrophobicContact CG2-CD1 3.81Å; T90-L94 HydrophobicContact CG2-CG 4.3Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.91Å
91N95.4Very high94.1Very high58 Ų5831.2 Ų31.231%0.3117%0.168SC..Hα-helixtrans-61.8-41.6176.6-178-96.2000112.2L87 A88 Y89 N95 L114L87-N91 PolarHBondContact O-N 3.48Å; A88-N91 PolarHBondContact O-N 3.23Å; Y89-N91 VanDerWaalsContact C-N 3.32Å; Y89-N91 PolarHBondContact O-N 2.9Å; N91-N95 WeakPolarHBondContact O-CB 3.28Å; N91-N95 PolarHBondContact O-N 3.45Å; N91-N95 PolarHBondContact O-ND2 3.26Å; N91-L114 HydrophobicContact CB-CD1 4.47Å
92L94.4Very high93.9Very high27 Ų2736.2 Ų36.214%0.14120%0.198CC..Hα-helixtrans-59.7-51.5176.9175.364.8000111.6A88 Y89 T90 N95 T96 R111 I115 L283A88-L92 WeakPolarHBondContact O-CB 3.49Å; A88-L92 PolarHBondContact O-N 2.91Å; Y89-L92 HydrophobicContact CD1-CD2 4.13Å; Y89-L92 HydrophobicContact CE1-CD2 4.38Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.9Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; T90-L92 PolarHBondContact O-N 2.9Å; L92-N95 CarbonylContact O-C 3.48Å; L92-N95 PolarHBondContact O-N 3.45Å; L92-T96 PolarHBondContact O-N 3.4Å; L92-T96 PolarHBondContact O-OG1 3.11Å; L92-R111 HydrophobicContact CB-CG 4.33Å; L92-R111 HydrophobicContact CD1-CG 3.91Å; L92-I115 HydrophobicContact CB-CD1 4.47Å; L92-I115 HydrophobicContact CD2-CD1 4.19Å; L92-I115 HydrophobicContact CD2-CG1 4.36Å; L92-L283 HydrophobicContact CD2-CD1 4.3Å; L92-L283 HydrophobicContact CD2-CD2 4.4Å
93I93.2Very high93.9Very high7 Ų736.9 Ų36.94%0.03620%0.202CC..Hα-helixtrans-67.8-43.5-174.6-66.7160.4000110.7L40 L44 Y89 T90 N95 T96L40-I93 HydrophobicContact CD2-CG2 3.7Å; L44-I93 HydrophobicContact CD1-CG2 4.45Å; L44-I93 HydrophobicContact CD2-CB 4.01Å; L44-I93 HydrophobicContact CD2-CG2 3.59Å; L44-I93 HydrophobicContact CG-CG2 3.61Å; Y89-I93 WeakPolarHBondContact O-CB 3.49Å; Y89-I93 WeakPolarHBondContact O-CD1 3.39Å; Y89-I93 VanDerWaalsContact O-CG1 3.24Å; Y89-I93 WeakPolarHBondContact O-CG1 3.34Å; Y89-I93 PolarHBondContact O-N 2.91Å; T90-I93 PolarHBondContact O-N 3.5Å; I93-N95 PolarHBondContact O-N 3.4Å; I93-T96 WeakPolarHBondContact O-CB 3.45Å; I93-T96 PolarHBondContact O-N 2.99Å; I93-T96 VanDerWaalsContact O-N 3.16Å
94L92.3Very high93.9Very high80 Ų8039.3 Ų39.342%0.41922%0.218SC..Hα-helixtrans-64.4-17.9176.2-70.5177.5000113.7L44 T90 W99L44-L94 HydrophobicContact CD1-CD2 3.98Å; L44-L94 HydrophobicContact CD2-CD2 3.78Å; L44-L94 HydrophobicContact CD2-CG 3.92Å; T90-L94 HydrophobicContact CG2-CD1 3.81Å; T90-L94 HydrophobicContact CG2-CG 4.3Å; T90-L94 WeakPolarHBondContact O-CB 3.28Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.91Å; L94-W99 WeakPolarHBondContact O-CZ3 3.41Å
95N92.9Very high93.7Very high44 Ų4438.7 Ų38.724%0.23522%0.215CC..THydrogen-bonded Turntrans-111.918.6178.1-67.9-78.7000112.5N91 L92 I93 T100 L103 R111N91-N95 WeakPolarHBondContact O-CB 3.28Å; N91-N95 PolarHBondContact O-N 3.45Å; N91-N95 PolarHBondContact O-ND2 3.26Å; L92-N95 CarbonylContact O-C 3.48Å; L92-N95 PolarHBondContact O-N 3.45Å; I93-N95 PolarHBondContact O-N 3.4Å; N95-T100 PolarHBondContact O-OG1 3.45Å; N95-L103 HydrophobicContact CB-CD1 4.2Å; N95-L103 HydrophobicContact CB-CD2 4.17Å; N95-R111 PolarHBondContact O-NH1 2.84Å
96T90.8Very high93.5Very high23 Ų2346.7 Ų46.714%0.14125%0.249CC..  trans-91.4164.2178.8-70.40000111.9L92 I93L92-T96 PolarHBondContact O-N 3.4Å; L92-T96 PolarHBondContact O-OG1 3.11Å; I93-T96 WeakPolarHBondContact O-CB 3.45Å; I93-T96 PolarHBondContact O-N 2.99Å; I93-T96 VanDerWaalsContact O-N 3.16Å
97G89.4Confident93.5Very high12 Ų1251.2 Ų51.212%0.12427%0.27CS..G310 helixtrans78.5-143.2175.900000111.7I28 W99 T100I28-G97 WeakPolarHBondContact CG2-O 3.36Å; G97-W99 PolarHBondContact O-N 3.05Å; G97-W99 VanDerWaalsContact O-N 3.17Å; G97-T100 WeakPolarHBondContact O-CB 3.38Å; G97-T100 PolarHBondContact O-N 2.94Å
98P90.1Very high93.4Very high20 Ų2047.2 Ų47.213%0.1325%0.248CC..G310 helixtrans-55.9-31.4178.5-2635.2000113.3W32 T100 A101W32-P98 HydrophobicContact CD2-CG 3.96Å; W32-P98 HydrophobicContact CE3-CG 4.47Å; W32-P98 HydrophobicContact CG-CG 4.05Å; P98-T100 PolarHBondContact O-N 3.43Å; P98-A101 WeakPolarHBondContact O-CB 3.25Å; P98-A101 PolarHBondContact O-N 2.91Å; P98-A101 VanDerWaalsContact O-N 3.14Å
99W92Very high93.4Very high118 Ų11848 Ų4845%0.44725%0.251SS..G310 helixtrans-65.6-18.9176.8-67.6-33.8000114.1W32 L94 G97 A101 T102W32-W99 AromaticContact CH2-CD2 3.94Å; W32-W99 HydrophobicContact CH2-CD2 3.94Å; W32-W99 AromaticContact CH2-CE3 3.54Å; W32-W99 HydrophobicContact CH2-CE3 3.54Å; W32-W99 HydrophobicContact CH2-CH2 4.27Å; W32-W99 AromaticContact CH2-CZ3 3.74Å; W32-W99 HydrophobicContact CH2-CZ3 3.74Å; W32-W99 AromaticContact CZ2-CD2 3.69Å; W32-W99 HydrophobicContact CZ2-CD2 3.69Å; W32-W99 AromaticContact CZ2-CE2 3.76Å; W32-W99 AromaticContact CZ2-CE3 3.73Å; W32-W99 HydrophobicContact CZ2-CE3 3.73Å; W32-W99 HydrophobicContact CZ2-CG 4.34Å; W32-W99 HydrophobicContact CZ2-CH2 4Å; W32-W99 AromaticContact CZ2-CZ2 3.93Å; W32-W99 HydrophobicContact CZ2-CZ2 3.93Å; W32-W99 AromaticContact CZ2-CZ3 3.9Å; W32-W99 HydrophobicContact CZ2-CZ3 3.9Å; L94-W99 WeakPolarHBondContact O-CZ3 3.41Å; G97-W99 PolarHBondContact O-N 3.05Å; G97-W99 VanDerWaalsContact O-N 3.17Å; W99-A101 PolarHBondContact O-N 3.36Å; W99-T102 PolarHBondContact O-N 3.42Å; W99-T102 VanDerWaalsContact O-N 3.16Å; W99-T102 PolarHBondContact O-OG1 3.15Å
100T93.1Very high93.4Very high8 Ų852.6 Ų52.65%0.04928%0.275CS..G310 helixtrans-62.5-27.8173.5-63.50000111.8Y21 I28 N95 G97 P98 T102 L103 R111Y21-T100 HydrophobicContact CE1-CG2 4.1Å; Y21-T100 HydrophobicContact CE2-CG2 4.16Å; I28-T100 HydrophobicContact CD1-CG2 3.79Å; N95-T100 PolarHBondContact O-OG1 3.45Å; G97-T100 WeakPolarHBondContact O-CB 3.38Å; G97-T100 PolarHBondContact O-N 2.94Å; P98-T100 PolarHBondContact O-N 3.43Å; T100-T102 VanDerWaalsContact C-N 3.29Å; T100-T102 PolarHBondContact O-N 2.95Å; T100-L103 HydrophobicContact CG2-CD1 4.44Å; T100-L103 PolarHBondContact O-N 3.4Å; T100-R111 PolarHBondContact OG1-NH1 3.45Å
101A91.6Very high93.4Very high43 Ų4351.6 Ų51.636%0.35527%0.267SS..G310 helixtrans-72.2-20178.500000113.5I28 P98 W99I28-A101 HydrophobicContact CB-CB 4.47Å; I28-A101 HydrophobicContact CD1-CB 4.1Å; I28-A101 HydrophobicContact CG2-CB 4.11Å; P98-A101 WeakPolarHBondContact O-CB 3.25Å; P98-A101 PolarHBondContact O-N 2.91Å; P98-A101 VanDerWaalsContact O-N 3.14Å; W99-A101 PolarHBondContact O-N 3.36Å
102T92.6Very high93.3Very high104 Ų10449.7 Ų49.764%0.63826%0.261SS*.G310 helixtrans-88.9-7.8179.864.80000112.9W99 T100W99-T102 PolarHBondContact O-N 3.42Å; W99-T102 VanDerWaalsContact O-N 3.16Å; W99-T102 PolarHBondContact O-OG1 3.15Å; T100-T102 VanDerWaalsContact C-N 3.29Å; T100-T102 PolarHBondContact O-N 2.95Å
103L94.5Very high93.4Very high16 Ų1648.8 Ų48.88%0.08426%0.258CS..  trans-71.6136.1-179.2-64.3177.1000111.8V17 N95 T100 Q107V17-L103 VanDerWaalsContact CG2-O 3.31Å; V17-L103 WeakPolarHBondContact CG2-O 3.39Å; N95-L103 HydrophobicContact CB-CD1 4.2Å; N95-L103 HydrophobicContact CB-CD2 4.17Å; T100-L103 HydrophobicContact CG2-CD1 4.44Å; T100-L103 PolarHBondContact O-N 3.4Å; L103-Q107 HydrophobicContact CD2-CB 4.08Å
104T94.8Very high93.6Very high76 Ų7650.6 Ų50.647%0.46627%0.267SS..  trans-68.7155.616165.10000110.1K106 Q107 W108T104-K106 PolarHBondContact O-N 3.32Å; T104-Q107 PolarHBondContact O-N 2.91Å; T104-Q107 VanDerWaalsContact O-N 3.11Å; T104-Q107 VanDerWaalsContact OG1-CD 3.29Å; T104-Q107 VanDerWaalsContact OG1-CG 3.28Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.2Å; T104-Q107 PolarHBondContact OG1-N 2.79Å; T104-Q107 PolarHBondContact OG1-OE1 3.5Å; T104-W108 PolarHBondContact O-N 3.47Å
105K93.4Very high93.7Very high37 Ų3747.6 Ų47.616%0.16125%0.252CS..Hα-helixtrans-55.3-39.9175.9-66.7-163-67.7159.70112.7S13 Q15 V17 F20 W108 Y109 E176 L188S13-K105 VanDerWaalsContact CA-NZ 3.32Å; S13-K105 WeakPolarHBondContact O-CE 3.5Å; S13-K105 PolarHBondContact O-NZ 3.45Å; Q15-K105 WeakPolarHBondContact O-CD 3.43Å; V17-K105 HydrophobicContact CG2-CG 4.06Å; F20-K105 HydrophobicContact CE2-CD 4.14Å; K105-W108 WeakPolarHBondContact O-CB 3.4Å; K105-W108 PolarHBondContact O-N 3.5Å; K105-Y109 HydrophobicContact CB-CE2 4.41Å; K105-Y109 WeakPolarHBondContact O-CD2 3.5Å; K105-Y109 PolarHBondContact O-N 2.85Å; K105-E176 IonicContact NZ-OE1 3.67Å; K105-E176 PolarHBondContact NZ-OE1 2.88Å; K105-E176 IonicContact NZ-OE2 2.62Å; K105-E176 PolarHBondContact NZ-OE2 2.87Å; K105-L188 HydrophobicContact CB-CD2 4.16Å; K105-L188 HydrophobicContact CD-CD2 4.08Å; K105-L188 HydrophobicContact CG-CD2 3.99Å
106K93.1Very high93.7Very high170 Ų17046.5 Ų46.574%0.73925%0.245SC*.Hα-helixtrans-60.4-47.5176.5-68.7-176179.8179.70111.7T104 W108 Y109 I110T104-K106 PolarHBondContact O-N 3.32Å; K106-W108 VanDerWaalsContact C-N 3.29Å; K106-W108 PolarHBondContact O-N 2.94Å; K106-Y109 PolarHBondContact O-N 2.92Å; K106-I110 VanDerWaalsContact O-CG1 3.27Å; K106-I110 WeakPolarHBondContact O-CG1 3.28Å; K106-I110 PolarHBondContact O-N 3.48Å
107Q95.6Very high94Very high96 Ų9646.2 Ų46.245%0.44924%0.243SC..Hα-helixtrans-63.1-37.5176.6-71.8163.1-39.900111.6L103 T104 I110 R111L103-Q107 HydrophobicContact CD2-CB 4.08Å; T104-Q107 PolarHBondContact O-N 2.91Å; T104-Q107 VanDerWaalsContact O-N 3.11Å; T104-Q107 VanDerWaalsContact OG1-CD 3.29Å; T104-Q107 VanDerWaalsContact OG1-CG 3.28Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.2Å; T104-Q107 PolarHBondContact OG1-N 2.79Å; T104-Q107 PolarHBondContact OG1-OE1 3.5Å; Q107-I110 PolarHBondContact O-N 3.47Å; Q107-R111 WeakPolarHBondContact O-CB 3.44Å; Q107-R111 PolarHBondContact O-N 3.23Å
108W95.7Very high94.3Very high11 Ų1145.7 Ų45.74%0.04224%0.238CC..Hα-helixtrans-64.2-45176.1-169.6101.2000112.1V17 Y21 T104 K105 K106 R111 G112 A186 L188 Y189V17-W108 HydrophobicContact CG1-CG 4.27Å; V17-W108 HydrophobicContact CG2-CB 4.04Å; V17-W108 HydrophobicContact CG2-CG 4.35Å; Y21-W108 HydrophobicContact CE2-CZ2 4.46Å; Y21-W108 AromaticContact CE2-NE1 3.37Å; Y21-W108 AromaticContact CZ-NE1 3.56Å; Y21-W108 PolarHBondContact OH-NE1 3.26Å; T104-W108 PolarHBondContact O-N 3.47Å; K105-W108 WeakPolarHBondContact O-CB 3.4Å; K105-W108 PolarHBondContact O-N 3.5Å; K106-W108 VanDerWaalsContact C-N 3.29Å; K106-W108 PolarHBondContact O-N 2.94Å; W108-R111 WeakPolarHBondContact O-CB 3.33Å; W108-R111 PolarHBondContact O-N 3.5Å; W108-G112 PolarHBondContact O-N 2.98Å; W108-G112 VanDerWaalsContact O-N 3.16Å; W108-A186 HydrophobicContact CH2-CB 3.97Å; W108-A186 HydrophobicContact CZ2-CB 4.38Å; W108-L188 HydrophobicContact CD2-CD1 4.14Å; W108-L188 HydrophobicContact CD2-CD2 4.26Å; W108-L188 HydrophobicContact CE3-CB 3.89Å; W108-L188 HydrophobicContact CE3-CD1 4.28Å; W108-L188 HydrophobicContact CE3-CD2 3.91Å; W108-L188 HydrophobicContact CE3-CG 4.25Å; W108-L188 HydrophobicContact CH2-CB 3.93Å; W108-L188 HydrophobicContact CZ2-CD1 4.35Å; W108-L188 HydrophobicContact CZ3-CB 3.54Å; W108-L188 HydrophobicContact CZ3-CD1 4.47Å; W108-L188 HydrophobicContact CZ3-CD2 4.43Å; W108-L188 HydrophobicContact CZ3-CG 4.35Å; W108-Y189 HydrophobicContact CE3-CE1 4.45Å; W108-Y189 AromaticContact CH2-CD1 3.72Å; W108-Y189 HydrophobicContact CH2-CD1 3.72Å; W108-Y189 AromaticContact CH2-CE1 3.96Å; W108-Y189 HydrophobicContact CH2-CE1 3.96Å; W108-Y189 HydrophobicContact CH2-CG 4.47Å; W108-Y189 AromaticContact CZ3-CD1 3.45Å; W108-Y189 HydrophobicContact CZ3-CD1 3.45Å; W108-Y189 VanDerWaalsContact CZ3-CD1 3.45Å; W108-Y189 AromaticContact CZ3-CE1 3.42Å; W108-Y189 HydrophobicContact CZ3-CE1 3.42Å; W108-Y189 VanDerWaalsContact CZ3-CE1 3.42Å
109Y95.6Very high94.4Very high17 Ų1745 Ų457%0.06723%0.233CC..Hα-helixtrans-64-43.3174.6-76.4-64000112K105 K106 R111 G112 A113 N174 E176 L188 Y189K105-Y109 HydrophobicContact CB-CE2 4.41Å; K105-Y109 WeakPolarHBondContact O-CD2 3.5Å; K105-Y109 PolarHBondContact O-N 2.85Å; K106-Y109 PolarHBondContact O-N 2.92Å; Y109-R111 VanDerWaalsContact C-N 3.3Å; Y109-R111 PolarHBondContact O-N 2.87Å; Y109-G112 PolarHBondContact O-N 3.29Å; Y109-A113 VanDerWaalsContact O-CB 3.25Å; Y109-A113 WeakPolarHBondContact O-CB 3.36Å; Y109-A113 PolarHBondContact O-N 3.47Å; Y109-N174 HydrophobicContact CE1-CB 4.35Å; Y109-N174 VanDerWaalsContact OH-CB 3.22Å; Y109-N174 WeakPolarHBondContact OH-CB 3.41Å; Y109-E176 PolarHBondContact OH-OE1 3.21Å; Y109-L188 HydrophobicContact CE1-CB 4.1Å; Y109-L188 HydrophobicContact CE2-CD2 3.93Å; Y109-Y189 HydrophobicContact CD1-CD1 4.43Å; Y109-Y189 AromaticContact CD1-CE1 3.91Å; Y109-Y189 HydrophobicContact CD1-CE1 3.91Å; Y109-Y189 HydrophobicContact CE1-CD1 4.23Å; Y109-Y189 HydrophobicContact CE1-CE1 4.17Å
110I95.5Very high94.6Very high99 Ų9939.9 Ų39.951%0.50822%0.215SC..Hα-helixtrans-58.6-45.9176.4-71165.8000110.1K106 Q107 G112 A113 L114K106-I110 VanDerWaalsContact O-CG1 3.27Å; K106-I110 WeakPolarHBondContact O-CG1 3.28Å; K106-I110 PolarHBondContact O-N 3.48Å; Q107-I110 PolarHBondContact O-N 3.47Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 2.95Å; I110-A113 PolarHBondContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 4.15Å; I110-L114 HydrophobicContact CG2-CG 4.27Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.11Å
111R95.1Very high94.7Very high17 Ų1739.5 Ų39.56%0.06421%0.212CC..Hα-helixtrans-56.4-44.3178-174.9-178.371.71640112.1Y21 L92 N95 T100 Q107 W108 Y109Y21-R111 PolarHBondContact OH-NH2 3.35Å; L92-R111 HydrophobicContact CB-CG 4.33Å; L92-R111 HydrophobicContact CD1-CG 3.91Å; N95-R111 PolarHBondContact O-NH1 2.84Å; T100-R111 PolarHBondContact OG1-NH1 3.45Å; Q107-R111 WeakPolarHBondContact O-CB 3.44Å; Q107-R111 PolarHBondContact O-N 3.23Å; W108-R111 WeakPolarHBondContact O-CB 3.33Å; W108-R111 PolarHBondContact O-N 3.5Å; Y109-R111 VanDerWaalsContact C-N 3.3Å; Y109-R111 PolarHBondContact O-N 2.87Å
112G94.3Very high94.8Very high19 Ų1937.7 Ų37.720%0.19620%0.197CC..Hα-helixtrans-68.1-47.2174.900000112.8W108 Y109 I110 L114 I115 D116W108-G112 PolarHBondContact O-N 2.98Å; W108-G112 VanDerWaalsContact O-N 3.16Å; Y109-G112 PolarHBondContact O-N 3.29Å; I110-G112 VanDerWaalsContact C-N 3.32Å; I110-G112 PolarHBondContact O-N 2.95Å; G112-L114 VanDerWaalsContact C-N 3.3Å; G112-L114 PolarHBondContact O-N 2.98Å; G112-I115 WeakPolarHBondContact O-CB 3.33Å; G112-I115 PolarHBondContact O-N 3.47Å; G112-D116 PolarHBondContact O-N 3.48Å
113A96.1Very high94.8Very high8 Ų833.1 Ų33.17%0.06617%0.169CC..Hα-helixtrans-58.8-38.7-17900000112.6Y109 I110 I115 D116 I117 G166Y109-A113 VanDerWaalsContact O-CB 3.25Å; Y109-A113 WeakPolarHBondContact O-CB 3.36Å; Y109-A113 PolarHBondContact O-N 3.47Å; I110-A113 PolarHBondContact O-N 3.13Å; A113-I115 VanDerWaalsContact C-N 3.29Å; A113-I115 PolarHBondContact O-N 3.15Å; A113-D116 PolarHBondContact O-N 3.13Å; A113-I117 WeakPolarHBondContact O-CB 3.46Å; A113-I117 WeakPolarHBondContact O-CD1 3.49Å; A113-I117 WeakPolarHBondContact O-CG1 3.31Å; A113-I117 PolarHBondContact O-N 3.42Å; A113-G166 VanDerWaalsContact CB-O 3.25Å; A113-G166 WeakPolarHBondContact CB-O 3.1Å
114L96.6Very high94.8Very high44 Ų4433.5 Ų33.523%0.2317%0.174CC..Hα-helixtrans-59.8-40.6176.1-68.5174.4000111.7F84 A88 N91 I110 G112 S118F84-L114 VanDerWaalsContact CE1-O 3.27Å; F84-L114 WeakPolarHBondContact CE1-O 3.28Å; F84-L114 HydrophobicContact CE2-CD2 3.94Å; F84-L114 HydrophobicContact CZ-CB 4.46Å; F84-L114 HydrophobicContact CZ-CD2 3.52Å; A88-L114 HydrophobicContact CB-CB 3.64Å; N91-L114 HydrophobicContact CB-CD1 4.47Å; I110-L114 HydrophobicContact CG2-CD1 4.15Å; I110-L114 HydrophobicContact CG2-CG 4.27Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.11Å; G112-L114 VanDerWaalsContact C-N 3.3Å; G112-L114 PolarHBondContact O-N 2.98Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.28Å; L114-S118 VanDerWaalsContact O-N 3.1Å
115I94.7Very high94.6Very high18 Ų1829.9 Ų29.99%0.09215%0.152CC..Hα-helixtrans-68.1-46.7176-57.8-67.1000110.2A88 Y89 L92 G112 A113 I117 S118 L119A88-I115 HydrophobicContact CB-CD1 3.71Å; A88-I115 HydrophobicContact CB-CG1 4.45Å; Y89-I115 HydrophobicContact CD1-CD1 4.07Å; Y89-I115 HydrophobicContact CD2-CD1 4.14Å; Y89-I115 HydrophobicContact CE1-CD1 4.18Å; Y89-I115 HydrophobicContact CE2-CD1 4.23Å; Y89-I115 HydrophobicContact CG-CD1 4.04Å; L92-I115 HydrophobicContact CB-CD1 4.47Å; L92-I115 HydrophobicContact CD2-CD1 4.19Å; L92-I115 HydrophobicContact CD2-CG1 4.36Å; G112-I115 WeakPolarHBondContact O-CB 3.33Å; G112-I115 PolarHBondContact O-N 3.47Å; A113-I115 VanDerWaalsContact C-N 3.29Å; A113-I115 PolarHBondContact O-N 3.15Å; I115-I117 PolarHBondContact O-N 3.49Å; I115-S118 PolarHBondContact O-N 3.46Å; I115-S118 VanDerWaalsContact O-N 3.17Å; I115-S118 PolarHBondContact O-OG 3.37Å; I115-L119 PolarHBondContact O-N 3.37Å
116D94.3Very high94.5Very high20 Ų2028.4 Ų28.411%0.10715%0.146CC..Hα-helixtrans-61.4-44.2-179.3-65-28.2000111.5G112 A113 S118 L119 T120 Y189G112-D116 PolarHBondContact O-N 3.48Å; A113-D116 PolarHBondContact O-N 3.13Å; D116-S118 PolarHBondContact O-N 2.93Å; D116-L119 PolarHBondContact O-N 3.37Å; D116-T120 WeakPolarHBondContact O-CB 3.49Å; D116-T120 PolarHBondContact O-N 3.19Å; D116-T120 PolarHBondContact O-OG1 2.9Å; D116-Y189 PolarHBondContact OD2-OH 3.43Å
117I96Very high94.4Very high18 Ų1822.9 Ų22.99%0.09212%0.124CC..Hα-helixtrans-59.1-47.3174.7-68.4162.7000110.2F84 A113 I115 L119 T120 A121 W159 G162 I163F84-I117 HydrophobicContact CD1-CG2 4.41Å; F84-I117 HydrophobicContact CE1-CB 3.85Å; F84-I117 HydrophobicContact CE1-CG2 3.58Å; F84-I117 HydrophobicContact CZ-CB 4.28Å; F84-I117 HydrophobicContact CZ-CG2 3.96Å; A113-I117 WeakPolarHBondContact O-CB 3.46Å; A113-I117 WeakPolarHBondContact O-CD1 3.49Å; A113-I117 WeakPolarHBondContact O-CG1 3.31Å; A113-I117 PolarHBondContact O-N 3.42Å; I115-I117 PolarHBondContact O-N 3.49Å; I117-L119 PolarHBondContact O-N 3.17Å; I117-T120 PolarHBondContact O-N 3.39Å; I117-A121 VanDerWaalsContact O-CB 3.32Å; I117-A121 WeakPolarHBondContact O-CB 3.21Å; I117-A121 PolarHBondContact O-N 3.25Å; I117-W159 HydrophobicContact CG2-CE3 4.35Å; I117-W159 HydrophobicContact CG2-CZ3 4.24Å; I117-G162 VanDerWaalsContact CG1-O 3.31Å; I117-G162 WeakPolarHBondContact CG1-O 3.31Å; I117-I163 HydrophobicContact CD1-CG1 4.5Å
118S94.8Very high94.1Very high1 Ų119.1 Ų19.11%0.00711%0.11CC..Hα-helixtrans-62.5-44.3-177.376.70000111.9L114 I115 D116 A121 S122L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.28Å; L114-S118 VanDerWaalsContact O-N 3.1Å; I115-S118 PolarHBondContact O-N 3.46Å; I115-S118 VanDerWaalsContact O-N 3.17Å; I115-S118 PolarHBondContact O-OG 3.37Å; D116-S118 PolarHBondContact O-N 2.93Å; S118-A121 PolarHBondContact O-N 3Å; S118-S122 PolarHBondContact O-N 3.12Å; S118-S122 PolarHBondContact O-OG 2.92Å
119L94Very high93.6Very high5 Ų519.6 Ų19.63%0.02611%0.113CC..Hα-helixtrans-62-49.9175.7173.957.9000110.7I115 D116 I117 A121 S122 V123 W197 F252 W256I115-L119 PolarHBondContact O-N 3.37Å; D116-L119 PolarHBondContact O-N 3.37Å; I117-L119 PolarHBondContact O-N 3.17Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.47Å; L119-S122 PolarHBondContact O-N 3.01Å; L119-V123 HydrophobicContact CD1-CG2 3.85Å; L119-V123 HydrophobicContact CG-CG2 4.44Å; L119-V123 WeakPolarHBondContact O-CG2 3.12Å; L119-V123 PolarHBondContact O-N 3.24Å; L119-W197 HydrophobicContact CD2-CZ2 3.92Å; L119-W197 HydrophobicContact CG-CZ2 4.28Å; L119-F252 HydrophobicContact CD1-CE1 4.38Å; L119-F252 HydrophobicContact CD1-CZ 3.86Å; L119-W256 HydrophobicContact CB-CH2 4.03Å; L119-W256 HydrophobicContact CB-CZ2 4.48Å; L119-W256 HydrophobicContact CB-CZ3 4.27Å; L119-W256 HydrophobicContact CD1-CD2 3.59Å; L119-W256 HydrophobicContact CD1-CE3 3.65Å; L119-W256 HydrophobicContact CD1-CG 4.2Å; L119-W256 HydrophobicContact CD1-CH2 3.93Å; L119-W256 HydrophobicContact CD1-CZ2 3.89Å; L119-W256 HydrophobicContact CD1-CZ3 3.82Å; L119-W256 HydrophobicContact CD2-CE3 3.95Å; L119-W256 HydrophobicContact CD2-CH2 4.37Å; L119-W256 HydrophobicContact CD2-CZ3 3.76Å; L119-W256 HydrophobicContact CG-CE3 4.36Å; L119-W256 HydrophobicContact CG-CH2 4.33Å; L119-W256 HydrophobicContact CG-CZ3 4.16Å
120T95Very high93.2Very high11 Ų1118.8 Ų18.87%0.06711%0.11CC..Hα-helixtrans-57.7-45.4-179.9-43.70000111.3D116 I117 V123 A124 V161 M165 W197D116-T120 WeakPolarHBondContact O-CB 3.49Å; D116-T120 PolarHBondContact O-N 3.19Å; D116-T120 PolarHBondContact O-OG1 2.9Å; I117-T120 PolarHBondContact O-N 3.39Å; T120-V123 PolarHBondContact O-N 2.89Å; T120-A124 VanDerWaalsContact O-CB 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.47Å; T120-A124 PolarHBondContact O-N 3.43Å; T120-V161 HydrophobicContact CG2-CG1 3.96Å; T120-M165 HydrophobicContact CG2-CB 4.24Å; T120-M165 HydrophobicContact CG2-CG 4.09Å; T120-W197 HydrophobicContact CG2-CH2 4.36Å; T120-W197 WeakPolarHBondContact OG1-CH2 3.27Å
121A94.7Very high92.8Very high0 Ų016.7 Ų16.70%010%0.102CC..Hα-helixtrans-62.2-46.2-179.100000110.9A81 I117 S118 L119 N125 I158A81-A121 HydrophobicContact CB-CB 4.14Å; I117-A121 VanDerWaalsContact O-CB 3.32Å; I117-A121 WeakPolarHBondContact O-CB 3.21Å; I117-A121 PolarHBondContact O-N 3.25Å; S118-A121 PolarHBondContact O-N 3Å; L119-A121 VanDerWaalsContact C-N 3.29Å; L119-A121 PolarHBondContact O-N 3.47Å; A121-N125 WeakPolarHBondContact O-CB 3.41Å; A121-N125 PolarHBondContact O-N 3.46Å; A121-I158 HydrophobicContact CB-CG2 4.14Å; A121-I158 WeakPolarHBondContact O-CG2 3.33Å
122S93.7Very high92.2Very high4 Ų416.4 Ų16.43%0.02810%0.102CC..Hα-helixtrans-65.3-41.3178-66.80000112.6S118 L119 N125 L126S118-S122 PolarHBondContact O-N 3.12Å; S118-S122 PolarHBondContact O-OG 2.92Å; L119-S122 PolarHBondContact O-N 3.01Å; S122-N125 PolarHBondContact O-N 2.79Å; S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 WeakPolarHBondContact O-CG 3.47Å; S122-L126 PolarHBondContact O-N 3.05Å
123V93.8Very high91.5Very high8 Ų816.4 Ų16.45%0.04810%0.096CC..Hα-helixtrans-63.5-48.7176.3171.60000111.6L119 T120 N125 L126 L127 T204 F205 F252L119-V123 HydrophobicContact CD1-CG2 3.85Å; L119-V123 HydrophobicContact CG-CG2 4.44Å; L119-V123 WeakPolarHBondContact O-CG2 3.12Å; L119-V123 PolarHBondContact O-N 3.24Å; T120-V123 PolarHBondContact O-N 2.89Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.23Å; V123-L126 PolarHBondContact O-N 3.16Å; V123-L127 WeakPolarHBondContact O-CB 3.27Å; V123-L127 PolarHBondContact O-N 3.25Å; V123-T204 HydrophobicContact CG1-CG2 3.46Å; V123-T204 VanDerWaalsContact CG1-CG2 3.46Å; V123-F205 HydrophobicContact CG2-CE1 3.89Å; V123-F252 HydrophobicContact CG2-CE1 3.57Å; V123-F252 HydrophobicContact CG2-CZ 3.58Å
124A93.9Very high91Very high25 Ų2518.5 Ų18.521%0.20710%0.104CC..Hα-helixtrans-66-36.2179.800000111.7T120 L127 A128 I158T120-A124 VanDerWaalsContact O-CB 3.3Å; T120-A124 WeakPolarHBondContact O-CB 3.47Å; T120-A124 PolarHBondContact O-N 3.43Å; A124-L127 PolarHBondContact O-N 3.01Å; A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-I158 HydrophobicContact CB-CB 4.44Å; A124-I158 HydrophobicContact CB-CG1 3.97Å; A124-I158 HydrophobicContact CB-CG2 4.09Å
125N91.8Very high90.3Very high0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-66.8-43.3174.9-163.762.6000111.7L74 N77 M78 A121 S122 V123 A128 V129 I158L74-N125 PolarHBondContact O-ND2 2.64Å; N77-N125 PolarHBondContact ND2-OD1 3.32Å; M78-N125 WeakPolarHBondContact CA-ND2 3.32Å; M78-N125 VanDerWaalsContact CB-ND2 3.29Å; M78-N125 WeakPolarHBondContact CB-ND2 3.29Å; M78-N125 PolarHBondContact N-ND2 2.92Å; A121-N125 WeakPolarHBondContact O-CB 3.41Å; A121-N125 PolarHBondContact O-N 3.46Å; S122-N125 PolarHBondContact O-N 2.79Å; V123-N125 VanDerWaalsContact C-N 3.32Å; V123-N125 PolarHBondContact O-N 3.23Å; N125-A128 PolarHBondContact O-N 3.43Å; N125-V129 VanDerWaalsContact O-CG2 3.32Å; N125-V129 WeakPolarHBondContact O-CG2 3.21Å; N125-V129 PolarHBondContact O-N 3.38Å; N125-I158 HydrophobicContact CB-CD1 4.24Å
126L90.1Very high89.4Confident6 Ų620.3 Ų20.33%0.03111%0.112CC..Hα-helixtrans-62.7-42.2174.5-80.8174.4000112.4M78 S122 V123 A128 V129 A130 M208 V248 F252M78-L126 HydrophobicContact CE-CD1 4.44Å; M78-L126 HydrophobicContact CE-CD2 3.58Å; M78-L126 HydrophobicContact CE-CG 3.99Å; M78-L126 HydrophobicContact SD-CD2 4.46Å; S122-L126 WeakPolarHBondContact O-CB 3.4Å; S122-L126 WeakPolarHBondContact O-CG 3.47Å; S122-L126 PolarHBondContact O-N 3.05Å; V123-L126 PolarHBondContact O-N 3.16Å; L126-A128 VanDerWaalsContact C-N 3.34Å; L126-V129 PolarHBondContact O-N 3.42Å; L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 3.24Å; L126-M208 HydrophobicContact CB-SD 3.78Å; L126-V248 HydrophobicContact CD2-CG1 3.83Å; L126-F252 HydrophobicContact CD1-CB 3.83Å; L126-F252 HydrophobicContact CD1-CD1 3.82Å; L126-F252 HydrophobicContact CD1-CD2 3.36Å; L126-F252 HydrophobicContact CD1-CE1 4.23Å; L126-F252 HydrophobicContact CD1-CE2 3.83Å; L126-F252 HydrophobicContact CD1-CG 3.36Å; L126-F252 HydrophobicContact CD1-CZ 4.24Å
127L91.4Very high88.6Confident54 Ų5420.1 Ų20.128%0.28311%0.111SC..Hα-helixtrans-62.9-42.9175.4-178.763.2000111V123 A124 A130 V131 T204 V207 M208 M211V123-L127 WeakPolarHBondContact O-CB 3.27Å; V123-L127 PolarHBondContact O-N 3.25Å; A124-L127 PolarHBondContact O-N 3.01Å; L127-A130 WeakPolarHBondContact O-CB 3.27Å; L127-A130 PolarHBondContact O-N 3.2Å; L127-A130 VanDerWaalsContact O-N 3.16Å; L127-V131 WeakPolarHBondContact O-CG2 3.49Å; L127-V131 PolarHBondContact O-N 3.32Å; L127-T204 HydrophobicContact CD2-CG2 4.17Å; L127-V207 HydrophobicContact CD1-CG1 4.41Å; L127-M208 HydrophobicContact CB-CG 4.42Å; L127-M208 HydrophobicContact CB-SD 4.21Å; L127-M208 HydrophobicContact CD1-CG 3.81Å; L127-M211 HydrophobicContact CD1-SD 4.37Å
128A88.8Confident87.7Confident17 Ų1722.1 Ų22.114%0.1412%0.121CC..Hα-helixtrans-64.5-41.3176.800000112.4A124 N125 L126 A130 V131 E132 L154 I158A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.26Å; N125-A128 PolarHBondContact O-N 3.43Å; L126-A128 VanDerWaalsContact C-N 3.34Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 2.89Å; A128-V131 PolarHBondContact O-N 3.35Å; A128-E132 WeakPolarHBondContact O-CB 3Å; A128-E132 PolarHBondContact O-N 3.4Å; A128-L154 HydrophobicContact CB-CD1 4.14Å; A128-L154 HydrophobicContact CB-CD2 3.68Å; A128-L154 HydrophobicContact CB-CG 4.33Å; A128-I158 HydrophobicContact CB-CD1 4.49Å
129V86.2Confident86.6Confident20 Ų2025.8 Ų25.812%0.12114%0.143CC..Hα-helixtrans-61.5-40.3171.7170.90000110.6L74 N125 L126 E132 R133 I245L74-V129 HydrophobicContact CB-CG2 4.22Å; L74-V129 HydrophobicContact CD1-CG2 4.32Å; N125-V129 VanDerWaalsContact O-CG2 3.32Å; N125-V129 WeakPolarHBondContact O-CG2 3.21Å; N125-V129 PolarHBondContact O-N 3.38Å; L126-V129 PolarHBondContact O-N 3.42Å; V129-E132 PolarHBondContact O-N 2.99Å; V129-R133 HydrophobicContact CG1-CG 4.28Å; V129-R133 VanDerWaalsContact O-CB 3.32Å; V129-R133 WeakPolarHBondContact O-CB 3.23Å; V129-R133 WeakPolarHBondContact O-CG 3.21Å; V129-R133 PolarHBondContact O-N 3.42Å; V129-I245 HydrophobicContact CG1-CG2 4.2Å
130A86.3Confident85.3Confident0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-62.7-45.1176.600000112L126 L127 A128 R133 H134 M211 Y212L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 3.24Å; L127-A130 WeakPolarHBondContact O-CB 3.27Å; L127-A130 PolarHBondContact O-N 3.2Å; L127-A130 VanDerWaalsContact O-N 3.16Å; A128-A130 VanDerWaalsContact C-N 3.3Å; A128-A130 PolarHBondContact O-N 2.89Å; A130-R133 PolarHBondContact O-N 2.94Å; A130-H134 VanDerWaalsContact O-CB 3.24Å; A130-H134 WeakPolarHBondContact O-CB 3.44Å; A130-H134 PolarHBondContact O-N 3.47Å; A130-M211 HydrophobicContact CB-CE 4.18Å; A130-Y212 WeakPolarHBondContact CA-OH 3.46Å; A130-Y212 HydrophobicContact CB-CD2 4.49Å; A130-Y212 HydrophobicContact CB-CE2 3.58Å
131V86.5Confident83.8Confident56 Ų5632.9 Ų32.934%0.33918%0.177SC..Hα-helixtrans-63.5-46.7176.6172.20000111.2L127 A128 R133 H134 Q135 M211L127-V131 WeakPolarHBondContact O-CG2 3.49Å; L127-V131 PolarHBondContact O-N 3.32Å; A128-V131 PolarHBondContact O-N 3.35Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 2.94Å; V131-H134 PolarHBondContact O-N 3.42Å; V131-Q135 WeakPolarHBondContact O-CG 3.47Å; V131-Q135 PolarHBondContact O-N 2.89Å; V131-M211 HydrophobicContact CB-CE 4.29Å; V131-M211 HydrophobicContact CG2-CE 3.74Å
132E83.9Confident82Confident11 Ų1138.6 Ų38.65%0.05121%0.206CC..Hα-helixtrans-62.4-40.9178.7-177.4-85.3167.200111.5A128 V129 Q135 T136 S144A128-E132 WeakPolarHBondContact O-CB 3Å; A128-E132 PolarHBondContact O-N 3.4Å; V129-E132 PolarHBondContact O-N 2.99Å; E132-Q135 PolarHBondContact O-N 3.04Å; E132-T136 WeakPolarHBondContact O-CG2 3.45Å; E132-T136 PolarHBondContact O-N 2.99Å; E132-T136 PolarHBondContact O-OG1 3.4Å; E132-S144 WeakPolarHBondContact OE1-CB 3.42Å; E132-S144 PolarHBondContact OE1-OG 3.46Å
133R80.1Confident80.4Confident19 Ų1944.1 Ų44.17%0.07223%0.232CC..Hα-helixtrans-68.3-41.2176.3-72-72.8167.5-96.5-33.5112.6V129 A130 V131 Q135 T136 I137 I245V129-R133 HydrophobicContact CG1-CG 4.28Å; V129-R133 VanDerWaalsContact O-CB 3.32Å; V129-R133 WeakPolarHBondContact O-CB 3.23Å; V129-R133 WeakPolarHBondContact O-CG 3.21Å; V129-R133 PolarHBondContact O-N 3.42Å; A130-R133 PolarHBondContact O-N 2.94Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 2.94Å; R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 3.47Å; R133-T136 WeakPolarHBondContact CA-OG1 3.35Å; R133-T136 PolarHBondContact O-OG1 2.79Å; R133-I137 HydrophobicContact CB-CD1 4.44Å; R133-I137 WeakPolarHBondContact O-CB 3.32Å; R133-I137 WeakPolarHBondContact O-CD1 3.37Å; R133-I137 VanDerWaalsContact O-CG1 3.25Å; R133-I137 WeakPolarHBondContact O-CG1 3.13Å; R133-I137 PolarHBondContact O-N 2.93Å; R133-I245 VanDerWaalsContact CD-CD1 3.42Å; R133-I245 HydrophobicContact CG-CD1 3.58Å
134H83.8Confident78.9Confident52 Ų5245 Ų4524%0.24124%0.238CC..Hα-helixtrans-58.3-47.1175.1-177.8-92.4000111A130 V131 I138 M211 H214 I215A130-H134 VanDerWaalsContact O-CB 3.24Å; A130-H134 WeakPolarHBondContact O-CB 3.44Å; A130-H134 PolarHBondContact O-N 3.47Å; V131-H134 PolarHBondContact O-N 3.42Å; H134-I138 WeakPolarHBondContact CE1-CD1 3.4Å; H134-I138 WeakPolarHBondContact NE2-CD1 3.46Å; H134-I138 WeakPolarHBondContact O-CB 3.26Å; H134-I138 VanDerWaalsContact O-CG1 3.29Å; H134-I138 WeakPolarHBondContact O-CG1 3.47Å; H134-I138 PolarHBondContact O-N 3Å; H134-M211 HydrophobicContact CB-CE 3.87Å; H134-H214 AromaticContact NE2-CE1 3.97Å; H134-H214 AromaticContact NE2-ND1 3.36Å; H134-H214 PolarHBondContact NE2-ND1 3.07Å; H134-I215 HydrophobicContact CB-CD1 3.94Å; H134-I215 HydrophobicContact CB-CG1 4.37Å
135Q82.1Confident77.7Confident87 Ų8747.9 Ų47.941%0.40725%0.253SS..Hα-helixtrans-62.1-56.7177.6-72.1176.6-5.300111.6V131 E132 R133 I137 I138 T139V131-Q135 WeakPolarHBondContact O-CG 3.47Å; V131-Q135 PolarHBondContact O-N 2.89Å; E132-Q135 PolarHBondContact O-N 3.04Å; R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 3.47Å; Q135-I137 VanDerWaalsContact C-N 3.34Å; Q135-I137 PolarHBondContact O-N 3.06Å; Q135-I138 PolarHBondContact O-N 3.15Å; Q135-T139 WeakPolarHBondContact O-CG2 3.21Å; Q135-T139 PolarHBondContact O-N 3.2Å; Q135-T139 PolarHBondContact O-OG1 2.74Å
136T76.6Confident76.6Confident13 Ų1350.3 Ų50.38%0.0827%0.265CS..Hα-helixtrans-59.9-39.8-174.847.40000113.6E132 R133 M140 Q141E132-T136 WeakPolarHBondContact O-CG2 3.45Å; E132-T136 PolarHBondContact O-N 2.99Å; E132-T136 PolarHBondContact O-OG1 3.4Å; R133-T136 WeakPolarHBondContact CA-OG1 3.35Å; R133-T136 PolarHBondContact O-OG1 2.79Å; T136-M140 PolarHBondContact O-N 2.87Å; T136-Q141 PolarHBondContact O-N 2.93Å
137I76.4Confident76.2Confident16 Ų1653.4 Ų53.48%0.08228%0.284CS..Hα-helixtrans-74.1-41.6-178.3-64.7168.8000111.2R133 Q135 M140 I215 V219 V238 M242R133-I137 HydrophobicContact CB-CD1 4.44Å; R133-I137 WeakPolarHBondContact O-CB 3.32Å; R133-I137 WeakPolarHBondContact O-CD1 3.37Å; R133-I137 VanDerWaalsContact O-CG1 3.25Å; R133-I137 WeakPolarHBondContact O-CG1 3.13Å; R133-I137 PolarHBondContact O-N 2.93Å; Q135-I137 VanDerWaalsContact C-N 3.34Å; Q135-I137 PolarHBondContact O-N 3.06Å; I137-M140 WeakPolarHBondContact O-CE 3.39Å; I137-M140 PolarHBondContact O-N 2.91Å; I137-I215 HydrophobicContact CB-CG2 4.06Å; I137-I215 HydrophobicContact CD1-CG2 3.76Å; I137-I215 HydrophobicContact CG2-CG2 3.64Å; I137-V219 HydrophobicContact CG2-CG2 3.98Å; I137-V238 HydrophobicContact CD1-CG1 4.3Å; I137-V238 HydrophobicContact CG1-CG1 4.2Å; I137-V238 HydrophobicContact CG2-CG1 4.19Å; I137-M242 HydrophobicContact CD1-CG 3.76Å; I137-M242 HydrophobicContact CD1-SD 4.02Å
138I77.3Confident75.7Confident60 Ų6057 Ų5731%0.30830%0.298SS..Hα-helixtrans-69.8-40.8179.8-69.8175.7000111.1H134 Q135 M140H134-I138 WeakPolarHBondContact CE1-CD1 3.4Å; H134-I138 WeakPolarHBondContact NE2-CD1 3.46Å; H134-I138 WeakPolarHBondContact O-CB 3.26Å; H134-I138 VanDerWaalsContact O-CG1 3.29Å; H134-I138 WeakPolarHBondContact O-CG1 3.47Å; H134-I138 PolarHBondContact O-N 3Å; Q135-I138 PolarHBondContact O-N 3.15Å; I138-M140 PolarHBondContact O-N 3.31Å
139T71.4Confident75.5Confident77 Ų7766.3 Ų66.347%0.47233%0.329SS..THydrogen-bonded Turntrans-79.94.717962.70000113.3Q135 Q141Q135-T139 WeakPolarHBondContact O-CG2 3.21Å; Q135-T139 PolarHBondContact O-N 3.2Å; Q135-T139 PolarHBondContact O-OG1 2.74Å; T139-Q141 PolarHBondContact O-N 2.89Å; T139-Q141 VanDerWaalsContact O-N 3.12Å
140M68.1Low75.5Confident81 Ų8172.5 Ų72.540%0.39935%0.35SS..THydrogen-bonded Turntrans53.530.2-178-68.2-71.6151.100113.8T136 I137 I138 Q222 R234T136-M140 PolarHBondContact O-N 2.87Å; I137-M140 WeakPolarHBondContact O-CE 3.39Å; I137-M140 PolarHBondContact O-N 2.91Å; I138-M140 PolarHBondContact O-N 3.31Å; M140-Q222 VanDerWaalsContact CE-CD 3.46Å; M140-Q222 VanDerWaalsContact CE-NE2 3.3Å; M140-R234 PolarHBondContact O-NH2 2.81Å
141Q63.9Low75.5Confident85 Ų8572.9 Ų72.940%0.39735%0.352SS..  trans-92.7112.9178.4-72.3177.5-10.400108.8T136 T139 H143T136-Q141 PolarHBondContact O-N 2.93Å; T139-Q141 PolarHBondContact O-N 2.89Å; T139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-H143 PolarHBondContact O-N 3Å
142L55.7Low75.6Confident120 Ų12074 Ų7463%0.62836%0.359SS*.SBendtrans-69.4-18.8179.5-154.182.7000112.3R234L142-R234 HydrophobicContact CD1-CG 3.93Å
143H59.9Low75.9Confident120 Ų12079.1 Ų79.156%0.55639%0.386SS*.SBendtrans-122.8134.3179.1-128.152.5000110F69 Q141 T145F69-H143 AromaticContact CD1-CE1 3.74Å; F69-H143 AromaticContact CD1-NE2 3.3Å; F69-H143 VanDerWaalsContact CD1-NE2 3.3Å; F69-H143 WeakPolarHBondContact CD1-NE2 3.21Å; F69-H143 AromaticContact CE1-CE1 3.88Å; F69-H143 AromaticContact CE1-NE2 3.46Å; F69-H143 WeakPolarHBondContact CE1-NE2 3.34Å; Q141-H143 PolarHBondContact O-N 3Å; H143-T145 PolarHBondContact O-N 3.41Å
144S63.5Low76.4Confident26 Ų2681 Ų8118%0.18240%0.398CS..  trans-61.8130.2177.3-162.70000109.9E132 M146E132-S144 WeakPolarHBondContact OE1-CB 3.42Å; E132-S144 PolarHBondContact OE1-OG 3.46Å; S144-M146 PolarHBondContact O-N 3.35Å; S144-M146 WeakPolarHBondContact OG-CG 3.45Å
145T67Low76.8Confident85 Ų8580.3 Ų80.352%0.52140%0.395SS..  trans-78.93.4172.951.50000112.4H143 T147H143-T145 PolarHBondContact O-N 3.41Å; T145-T147 PolarHBondContact O-N 3.41Å
146M69.8Low77.4Confident52 Ų5281 Ų8126%0.25640%0.401SS..  trans-67.5117.9179.3-70.6-6415800111.1P70 S144 R150 V151P70-M146 WeakPolarHBondContact CG-O 3.43Å; S144-M146 PolarHBondContact O-N 3.35Å; S144-M146 WeakPolarHBondContact OG-CG 3.45Å; M146-R150 HydrophobicContact SD-CB 4.46Å; M146-V151 HydrophobicContact CB-CG2 4.06Å
147T81.9Confident78.3Confident71 Ų7183.1 Ų83.144%0.43642%0.416SS..  trans-72150.4173.167.20000110.2T145 R149 R150 V151T145-T147 PolarHBondContact O-N 3.41Å; T147-R149 PolarHBondContact O-N 3.38Å; T147-R150 PolarHBondContact O-N 3.45Å; T147-R150 WeakPolarHBondContact OG1-CG 3.3Å; T147-R150 PolarHBondContact OG1-N 2.93Å; T147-V151 PolarHBondContact O-N 2.86Å; T147-V151 VanDerWaalsContact O-N 3.15Å
148K80.5Confident79.2Confident129 Ų12982.6 Ų82.656%0.56141%0.413SS*.Hα-helixtrans-52.9-39.7176.8-63.2-177.2-177.4-178.10112.2R150 V151 V152K148-R150 PolarHBondContact O-N 3.03Å; K148-V151 PolarHBondContact O-N 3.25Å; K148-V152 WeakPolarHBondContact O-CG2 3.35Å; K148-V152 PolarHBondContact O-N 3.4Å
149R85.4Confident80.1Confident212 Ų21282.8 Ų82.880%0.841%0.41SS*.Hα-helixtrans-59.5-45176.8-68.1-175.9-177.8175.90.5112.3T147 V152 L153T147-R149 PolarHBondContact O-N 3.38Å; R149-V152 PolarHBondContact O-N 3.48Å; R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 3.03Å
150R86.3Confident81.4Confident151 Ų15181.4 Ų81.457%0.5741%0.407SS*.Hα-helixtrans-64.9-40.3178.3-72.9178.4-179-179.90.4111.9M146 T147 K148 L153 L154M146-R150 HydrophobicContact SD-CB 4.46Å; T147-R150 PolarHBondContact O-N 3.45Å; T147-R150 WeakPolarHBondContact OG1-CG 3.3Å; T147-R150 PolarHBondContact OG1-N 2.93Å; K148-R150 PolarHBondContact O-N 3.03Å; R150-L153 PolarHBondContact O-N 2.89Å; R150-L154 WeakPolarHBondContact O-CB 3.48Å; R150-L154 PolarHBondContact O-N 2.86Å
151V85.8Confident82.7Confident7 Ų781.1 Ų81.14%0.04241%0.409CS..Hα-helixtrans-63.5-44176.7178.30000111.2P70 L74 M146 T147 K148 L154 I155P70-V151 HydrophobicContact CB-CG2 4.22Å; L74-V151 HydrophobicContact CD2-CG1 4.23Å; L74-V151 HydrophobicContact CG-CG1 4.3Å; M146-V151 HydrophobicContact CB-CG2 4.06Å; T147-V151 PolarHBondContact O-N 2.86Å; T147-V151 VanDerWaalsContact O-N 3.15Å; K148-V151 PolarHBondContact O-N 3.25Å; V151-L154 PolarHBondContact O-N 3.23Å; V151-I155 HydrophobicContact CG1-CD1 4.03Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 2.91Å
152V88.1Confident84.2Confident80 Ų8077 Ų7749%0.48539%0.39SS..Hα-helixtrans-62.6-44.7176.8172.50000111.4K148 R149 L154 I155 I156K148-V152 WeakPolarHBondContact O-CG2 3.35Å; K148-V152 PolarHBondContact O-N 3.4Å; R149-V152 PolarHBondContact O-N 3.48Å; V152-L154 VanDerWaalsContact C-N 3.31Å; V152-L154 PolarHBondContact O-N 3.34Å; V152-I155 PolarHBondContact O-N 3.05Å; V152-I156 HydrophobicContact CG1-CD1 3.98Å; V152-I156 WeakPolarHBondContact O-CG1 3.31Å; V152-I156 PolarHBondContact O-N 3.4Å
153L90.4Very high86.2Confident118 Ų11875.2 Ų75.262%0.61838%0.38SS*.Hα-helixtrans-61.2-40.2176.5-71.9173.7000112.3R149 R150 I156 S157R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 3.03Å; R150-L153 PolarHBondContact O-N 2.89Å; L153-I156 PolarHBondContact O-N 3.35Å; L153-S157 PolarHBondContact O-N 2.98Å; L153-S157 PolarHBondContact O-OG 2.9Å
154L90.8Very high87.9Confident60 Ų6073.9 Ų73.931%0.31438%0.38SS..Hα-helixtrans-64.1-41.9175.3-178.396.7000111.7L74 A128 R150 V151 V152 S157 I158L74-L154 HydrophobicContact CD2-CD2 3.59Å; A128-L154 HydrophobicContact CB-CD1 4.14Å; A128-L154 HydrophobicContact CB-CD2 3.68Å; A128-L154 HydrophobicContact CB-CG 4.33Å; R150-L154 WeakPolarHBondContact O-CB 3.48Å; R150-L154 PolarHBondContact O-N 2.86Å; V151-L154 PolarHBondContact O-N 3.23Å; V152-L154 VanDerWaalsContact C-N 3.31Å; V152-L154 PolarHBondContact O-N 3.34Å; L154-S157 WeakPolarHBondContact CA-OG 3.43Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 PolarHBondContact O-OG 3.37Å; L154-I158 HydrophobicContact CD2-CD1 4.08Å; L154-I158 HydrophobicContact CG-CD1 4.02Å; L154-I158 WeakPolarHBondContact O-CB 3.21Å; L154-I158 WeakPolarHBondContact O-CD1 3.26Å; L154-I158 VanDerWaalsContact O-CG1 3.22Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 3.48Å
155I92.3Very high89.3Confident36 Ų3673.9 Ų73.919%0.18538%0.378CS..Hα-helixtrans-60.8-47.5175.6-70.6168.4000110N77 V151 V152 S157 I158 W159N77-I155 HydrophobicContact CB-CD1 4.02Å; N77-I155 HydrophobicContact CB-CG1 4Å; N77-I155 WeakPolarHBondContact OD1-CG2 3.14Å; V151-I155 HydrophobicContact CG1-CD1 4.03Å; V151-I155 WeakPolarHBondContact O-CG1 3.31Å; V151-I155 PolarHBondContact O-N 2.91Å; V152-I155 PolarHBondContact O-N 3.05Å; I155-S157 VanDerWaalsContact C-N 3.3Å; I155-S157 PolarHBondContact O-N 3.31Å; I155-I158 WeakPolarHBondContact O-CB 3.43Å; I155-I158 PolarHBondContact O-N 3.38Å; I155-W159 PolarHBondContact O-N 2.88Å; I155-W159 VanDerWaalsContact O-N 3.12Å
156I94.8Very high90.6Very high103 Ų10369.9 Ų69.953%0.52835%0.354SS..Hα-helixtrans-58.6-43.6177.6-67.1166.7000110.8V152 L153 W159 A160V152-I156 HydrophobicContact CG1-CD1 3.98Å; V152-I156 WeakPolarHBondContact O-CG1 3.31Å; V152-I156 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 3.35Å; I156-W159 PolarHBondContact O-N 2.6Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 3.25Å
157S95Very high91.8Very high57 Ų5770.9 Ų70.940%0.39936%0.36SS..Hα-helixtrans-67.3-37.517968.60000112.7L153 L154 I155 W159 A160 V161L153-S157 PolarHBondContact O-N 2.98Å; L153-S157 PolarHBondContact O-OG 2.9Å; L154-S157 WeakPolarHBondContact CA-OG 3.43Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 PolarHBondContact O-OG 3.37Å; I155-S157 VanDerWaalsContact C-N 3.3Å; I155-S157 PolarHBondContact O-N 3.31Å; S157-W159 PolarHBondContact O-N 2.95Å; S157-A160 PolarHBondContact O-N 2.88Å; S157-V161 WeakPolarHBondContact O-CB 3.27Å; S157-V161 VanDerWaalsContact O-CG2 3.28Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.46Å
158I95.2Very high92.5Very high5 Ų568.6 Ų68.63%0.02635%0.345CS..Hα-helixtrans-57.1-50.6174.5-74.1163.6000110.5A121 A124 N125 A128 L154 I155 V161 G162A121-I158 HydrophobicContact CB-CG2 4.14Å; A121-I158 WeakPolarHBondContact O-CG2 3.33Å; A124-I158 HydrophobicContact CB-CB 4.44Å; A124-I158 HydrophobicContact CB-CG1 3.97Å; A124-I158 HydrophobicContact CB-CG2 4.09Å; N125-I158 HydrophobicContact CB-CD1 4.24Å; A128-I158 HydrophobicContact CB-CD1 4.49Å; L154-I158 HydrophobicContact CD2-CD1 4.08Å; L154-I158 HydrophobicContact CG-CD1 4.02Å; L154-I158 WeakPolarHBondContact O-CB 3.21Å; L154-I158 WeakPolarHBondContact O-CD1 3.26Å; L154-I158 VanDerWaalsContact O-CG1 3.22Å; L154-I158 WeakPolarHBondContact O-CG1 3.32Å; L154-I158 PolarHBondContact O-N 3.48Å; I155-I158 WeakPolarHBondContact O-CB 3.43Å; I155-I158 PolarHBondContact O-N 3.38Å; I158-V161 PolarHBondContact O-N 2.85Å; I158-G162 PolarHBondContact O-N 2.78Å
159W97.1Very high93.1Very high63 Ų6362.4 Ų62.424%0.23932%0.318CS..Hα-helixtrans-68.3-38.6179.7-74.2101.2000112.4N77 A80 A81 F84 I117 I155 I156 S157 G162 I163N77-W159 PolarHBondContact OD1-NE1 2.93Å; A80-W159 HydrophobicContact CB-CZ2 4.44Å; A81-W159 HydrophobicContact CB-CZ2 4.5Å; F84-W159 HydrophobicContact CB-CH2 3.88Å; F84-W159 HydrophobicContact CB-CZ3 4.43Å; F84-W159 HydrophobicContact CD1-CH2 4.29Å; F84-W159 HydrophobicContact CD1-CZ3 4.07Å; F84-W159 HydrophobicContact CD2-CZ3 4.41Å; F84-W159 HydrophobicContact CE1-CZ3 4.45Å; F84-W159 AromaticContact CG-CH2 4Å; F84-W159 HydrophobicContact CG-CH2 4Å; F84-W159 HydrophobicContact CG-CZ3 4.05Å; I117-W159 HydrophobicContact CG2-CE3 4.35Å; I117-W159 HydrophobicContact CG2-CZ3 4.24Å; I155-W159 PolarHBondContact O-N 2.88Å; I155-W159 VanDerWaalsContact O-N 3.12Å; I156-W159 PolarHBondContact O-N 2.6Å; S157-W159 PolarHBondContact O-N 2.95Å; W159-G162 PolarHBondContact O-N 2.87Å; W159-I163 VanDerWaalsContact O-CG1 3.31Å; W159-I163 WeakPolarHBondContact O-CG1 3.49Å; W159-I163 PolarHBondContact O-N 3.43Å
160A97.1Very high93.4Very high48 Ų4853.9 Ų53.940%0.39729%0.291SS..Hα-helixtrans-61.1-46.317600000111.7I156 S157 G162 I163 V164I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 3.25Å; S157-A160 PolarHBondContact O-N 2.88Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 2.77Å; A160-I163 PolarHBondContact O-N 3.47Å; A160-V164 WeakPolarHBondContact O-CG2 3.29Å; A160-V164 PolarHBondContact O-N 3.05Å
161V95.8Very high93.6Very high75 Ų7551.9 Ų51.946%0.45529%0.291SS..Hα-helixtrans-61.3-43.3175172.30000110.5T120 S157 I158 V164 M165T120-V161 HydrophobicContact CG2-CG1 3.96Å; S157-V161 WeakPolarHBondContact O-CB 3.27Å; S157-V161 VanDerWaalsContact O-CG2 3.28Å; S157-V161 WeakPolarHBondContact O-CG2 3.47Å; S157-V161 PolarHBondContact O-N 3.46Å; I158-V161 PolarHBondContact O-N 2.85Å; V161-V164 PolarHBondContact O-N 3.41Å; V161-M165 HydrophobicContact CG1-CG 4.27Å; V161-M165 WeakPolarHBondContact O-CB 3.25Å; V161-M165 VanDerWaalsContact O-CG 3.31Å; V161-M165 WeakPolarHBondContact O-CG 3.36Å; V161-M165 PolarHBondContact O-N 3.4Å
162G96.4Very high93.9Very high0 Ų059 Ų590%032%0.322CS..Hα-helixtrans-57.7-50.2175.700000113.2I117 I158 W159 A160 V164 M165 G166I117-G162 VanDerWaalsContact CG1-O 3.31Å; I117-G162 WeakPolarHBondContact CG1-O 3.31Å; I158-G162 PolarHBondContact O-N 2.78Å; W159-G162 PolarHBondContact O-N 2.87Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 2.77Å; G162-V164 PolarHBondContact O-N 3.25Å; G162-M165 PolarHBondContact O-N 2.81Å; G162-G166 PolarHBondContact O-N 3.09Å
163I96.3Very high94.1Very high82 Ų8260.7 Ų60.742%0.42132%0.32SS..Hα-helixtrans-59.6-46.3178.3-68.6164.8000111I117 W159 A160 G166 L167I117-I163 HydrophobicContact CD1-CG1 4.5Å; W159-I163 VanDerWaalsContact O-CG1 3.31Å; W159-I163 WeakPolarHBondContact O-CG1 3.49Å; W159-I163 PolarHBondContact O-N 3.43Å; A160-I163 PolarHBondContact O-N 3.47Å; I163-G166 PolarHBondContact O-N 2.74Å; I163-L167 HydrophobicContact CG2-CD1 3.8Å; I163-L167 HydrophobicContact CG2-CG 4.4Å; I163-L167 WeakPolarHBondContact O-CB 3.33Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.48Å; I163-L167 PolarHBondContact O-N 3.03Å
164V95.8Very high94.2Very high91 Ų9157 Ų5755%0.55230%0.301SS*.Hα-helixtrans-58.6-51.6177.2170.30000110.1A160 V161 G162 G166 L167 V168A160-V164 WeakPolarHBondContact O-CG2 3.29Å; A160-V164 PolarHBondContact O-N 3.05Å; V161-V164 PolarHBondContact O-N 3.41Å; G162-V164 PolarHBondContact O-N 3.25Å; V164-G166 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.02Å; V164-V168 WeakPolarHBondContact O-CG2 3.33Å; V164-V168 PolarHBondContact O-N 3.4Å; V164-V168 VanDerWaalsContact O-N 3.17Å
165M93.8Very high94.3Very high27 Ų2754.2 Ų54.213%0.13329%0.286CS..Hα-helixtrans-61.6-39.8-178.8-70.3-49-61.700113T120 V161 G162 L167 F196 W197 L200T120-M165 HydrophobicContact CG2-CB 4.24Å; T120-M165 HydrophobicContact CG2-CG 4.09Å; V161-M165 HydrophobicContact CG1-CG 4.27Å; V161-M165 WeakPolarHBondContact O-CB 3.25Å; V161-M165 VanDerWaalsContact O-CG 3.31Å; V161-M165 WeakPolarHBondContact O-CG 3.36Å; V161-M165 PolarHBondContact O-N 3.4Å; G162-M165 PolarHBondContact O-N 2.81Å; M165-L167 VanDerWaalsContact C-N 3.35Å; M165-L167 PolarHBondContact O-N 3.27Å; M165-F196 HydrophobicContact CE-CE1 3.88Å; M165-W197 HydrophobicContact CB-CH2 4.15Å; M165-W197 HydrophobicContact CB-CZ3 3.75Å; M165-W197 HydrophobicContact CE-CE3 3.47Å; M165-W197 VanDerWaalsContact CE-CE3 3.47Å; M165-W197 HydrophobicContact CE-CZ3 3.31Å; M165-W197 HydrophobicContact CG-CZ3 3.94Å; M165-W197 HydrophobicContact SD-CZ3 4.45Å; M165-L200 HydrophobicContact CE-CD2 4.13Å
166G94.4Very high94.3Very high1 Ų153.2 Ų53.21%0.0128%0.281CS..Hα-helixtrans-71-25.5177.400000114.4A113 G162 I163 V164A113-G166 VanDerWaalsContact CB-O 3.25Å; A113-G166 WeakPolarHBondContact CB-O 3.1Å; G162-G166 PolarHBondContact O-N 3.09Å; I163-G166 PolarHBondContact O-N 2.74Å; V164-G166 PolarHBondContact O-N 3.45Å
167L95.3Very high94.2Very high73 Ų7352.2 Ų52.238%0.38228%0.282SS..Hα-helixtrans-84.5-21.9177.6-69.8176.3000113.4I163 V164 M165 S170 L171I163-L167 HydrophobicContact CG2-CD1 3.8Å; I163-L167 HydrophobicContact CG2-CG 4.4Å; I163-L167 WeakPolarHBondContact O-CB 3.33Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.48Å; I163-L167 PolarHBondContact O-N 3.03Å; V164-L167 PolarHBondContact O-N 3.02Å; M165-L167 VanDerWaalsContact C-N 3.35Å; M165-L167 PolarHBondContact O-N 3.27Å; L167-S170 PolarHBondContact O-N 2.95Å; L167-S170 PolarHBondContact O-OG 3.02Å; L167-L171 HydrophobicContact CB-CD1 4.15Å; L167-L171 PolarHBondContact O-N 2.6Å; L167-L171 VanDerWaalsContact O-N 3.09Å
168V95.6Very high94Very high22 Ų2252.4 Ų52.413%0.13328%0.278CS..Hα-helixtrans-49.9-47-177.8162.90000113.4V164 S170 L171 F172 W173 F193V164-V168 WeakPolarHBondContact O-CG2 3.33Å; V164-V168 PolarHBondContact O-N 3.4Å; V164-V168 VanDerWaalsContact O-N 3.17Å; V168-S170 VanDerWaalsContact C-N 3.32Å; V168-S170 PolarHBondContact O-N 3.24Å; V168-L171 PolarHBondContact O-N 3.11Å; V168-F172 PolarHBondContact O-N 2.52Å; V168-W173 HydrophobicContact CG1-CB 4.32Å; V168-W173 HydrophobicContact CG1-CE3 3.77Å; V168-W173 PolarHBondContact O-N 2.84Å; V168-F193 HydrophobicContact CB-CE2 4.28Å; V168-F193 HydrophobicContact CG1-CD2 3.87Å; V168-F193 HydrophobicContact CG1-CE2 3.78Å
169P93.3Very high93.8Very high0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-62.8-39.1179-26.538.3000112.7W173 N174 Y189 F193P169-W173 CarbonylContact O-C 3.54Å; P169-N174 VanDerWaalsContact O-CB 3.29Å; P169-N174 WeakPolarHBondContact O-CB 3.37Å; P169-N174 PolarHBondContact O-N 3.43Å; P169-Y189 HydrophobicContact CB-CD1 3.78Å; P169-Y189 HydrophobicContact CB-CD2 4.02Å; P169-Y189 HydrophobicContact CB-CE1 3.49Å; P169-Y189 VanDerWaalsContact CB-CE1 3.49Å; P169-Y189 HydrophobicContact CB-CE2 3.75Å; P169-Y189 HydrophobicContact CB-CG 4.05Å; P169-Y189 VanDerWaalsContact CB-CZ 3.48Å; P169-Y189 HydrophobicContact CG-CD2 4.09Å; P169-Y189 HydrophobicContact CG-CE1 4.19Å; P169-Y189 HydrophobicContact CG-CE2 3.58Å; P169-F193 HydrophobicContact CB-CD1 4.43Å; P169-F193 HydrophobicContact CB-CE1 4.33Å; P169-F193 HydrophobicContact CG-CD1 3.77Å; P169-F193 HydrophobicContact CG-CD2 4.32Å; P169-F193 HydrophobicContact CG-CE1 3.28Å; P169-F193 HydrophobicContact CG-CE2 3.86Å; P169-F193 HydrophobicContact CG-CG 4.27Å; P169-F193 HydrophobicContact CG-CZ 3.32Å
170S91.5Very high93.5Very high33 Ų3354.4 Ų54.423%0.23130%0.3CS..Hα-helixtrans-72.6-31.1-177.1710000113.5L167 V168L167-S170 PolarHBondContact O-N 2.95Å; L167-S170 PolarHBondContact O-OG 3.02Å; V168-S170 VanDerWaalsContact C-N 3.32Å; V168-S170 PolarHBondContact O-N 3.24Å
171L91.1Very high93.4Very high108 Ų10852.8 Ų52.857%0.56529%0.285SS*.Hα-helixtrans-103.7-35.2-172.9-62.9178.8000113.9L167 V168L167-L171 HydrophobicContact CB-CD1 4.15Å; L167-L171 PolarHBondContact O-N 2.6Å; L167-L171 VanDerWaalsContact O-N 3.09Å; V168-L171 PolarHBondContact O-N 3.11Å
172F91.3Very high93.3Very high157 Ų15749.6 Ų49.669%0.68927%0.266SS*.THydrogen-bonded Turntrans-126.1-44.8-166.2-59.7-73.9000113.8V168V168-F172 PolarHBondContact O-N 2.52Å
173W92.6Very high93.2Very high115 Ų11549.6 Ų49.644%0.43627%0.266SS..SBendtrans-120.559.7-172.9-88.8-29.4000113.5V168 P169 S190 F193 F196V168-W173 HydrophobicContact CG1-CB 4.32Å; V168-W173 HydrophobicContact CG1-CE3 3.77Å; V168-W173 PolarHBondContact O-N 2.84Å; P169-W173 CarbonylContact O-C 3.54Å; W173-S190 WeakPolarHBondContact O-CB 3.37Å; W173-S190 PolarHBondContact O-N 3Å; W173-F193 HydrophobicContact CB-CB 3.91Å; W173-F193 HydrophobicContact CB-CD2 4.46Å; W173-F193 HydrophobicContact CB-CG 4.42Å; W173-F193 HydrophobicContact CD2-CB 4.49Å; W173-F193 HydrophobicContact CE3-CB 4.32Å; W173-F193 AromaticContact CE3-CD2 3.8Å; W173-F193 HydrophobicContact CE3-CD2 3.8Å; W173-F193 HydrophobicContact CG-CB 4.42Å; W173-F193 HydrophobicContact CZ3-CD2 4.46Å; W173-F196 HydrophobicContact CH2-CD1 4.38Å; W173-F196 HydrophobicContact CH2-CG 4.42Å; W173-F196 AromaticContact CZ3-CD1 3.69Å; W173-F196 HydrophobicContact CZ3-CD1 3.69Å; W173-F196 HydrophobicContact CZ3-CE1 4Å; W173-F196 HydrophobicContact CZ3-CG 4.14Å
174N92.9Very high93.1Very high42 Ų4245.9 Ų45.923%0.22525%0.247CC..BIsolated β-bridgetrans-97.3167165.856.479.4000111.4Y109 P169 E176Y109-N174 HydrophobicContact CE1-CB 4.35Å; Y109-N174 VanDerWaalsContact OH-CB 3.22Å; Y109-N174 WeakPolarHBondContact OH-CB 3.41Å; P169-N174 VanDerWaalsContact O-CB 3.29Å; P169-N174 WeakPolarHBondContact O-CB 3.37Å; P169-N174 PolarHBondContact O-N 3.43Å; N174-E176 HydrophobicContact CB-CG 4.29Å; N174-E176 WeakPolarHBondContact OD1-CB 3.46Å; N174-E176 WeakPolarHBondContact OD1-CG 3.36Å; N174-E176 PolarHBondContact OD1-N 3.38Å
175C93.6Very high92.9Very high0 Ų042.6 Ų42.60%023%0.227CC..SBendtrans-97.812.1176.275.10000113.5C177 D178 C182 P187 L188C175-C177 PolarHBondContact O-N 3.44Å; C175-C177 VanDerWaalsContact O-N 3.15Å; C175-D178 CarbonylContact O-C 3.59Å; C175-D178 PolarHBondContact O-N 3.47Å; C175-C182 HydrophobicContact CB-CB 3.84Å; C175-C182 WeakPolarHBondContact CB-SG 3.41Å; C175-C182 WeakPolarHBondContact SG-CA 3.2Å; C175-C182 WeakPolarHBondContact SG-CB 3.4Å; C175-C182 CovalentContact SG-SG 2.05Å; C175-C182 PolarHBondContact SG-SG 3.16Å; C175-P187 PolarHBondContact SG-O 3.12Å; C175-L188 PolarHBondContact N-O 3.15Å; C175-L188 VanDerWaalsContact N-O 3.13Å
176E91.9Very high93Very high16 Ų1642 Ų428%0.07523%0.226CC..THydrogen-bonded Turntrans-61.1-30-171.9-64.7-168.3-171.200113.3C11 Y12 S13 F20 K105 Y109 N174C11-E176 PolarHBondContact SG-O 2.98Å; Y12-E176 WeakPolarHBondContact CB-O 3.39Å; Y12-E176 WeakPolarHBondContact CD2-O 3.49Å; Y12-E176 PolarHBondContact N-O 3.01Å; S13-E176 WeakPolarHBondContact CA-OE2 3.23Å; S13-E176 WeakPolarHBondContact CB-OE2 3.5Å; S13-E176 PolarHBondContact OG-OE2 3.34Å; F20-E176 HydrophobicContact CZ-CB 4.49Å; F20-E176 HydrophobicContact CZ-CG 4.18Å; K105-E176 IonicContact NZ-OE1 3.67Å; K105-E176 PolarHBondContact NZ-OE1 2.88Å; K105-E176 IonicContact NZ-OE2 2.62Å; K105-E176 PolarHBondContact NZ-OE2 2.87Å; Y109-E176 PolarHBondContact OH-OE1 3.21Å; N174-E176 HydrophobicContact CB-CG 4.29Å; N174-E176 WeakPolarHBondContact OD1-CB 3.46Å; N174-E176 WeakPolarHBondContact OD1-CG 3.36Å; N174-E176 PolarHBondContact OD1-N 3.38Å
177C91.5Very high92.9Very high82 Ų8241.9 Ų41.955%0.55423%0.225SC*.THydrogen-bonded Turntrans-102.6-1.5179.2-41.60000113.2C11 C175C11-C177 HydrophobicContact CB-CB 3.86Å; C11-C177 WeakPolarHBondContact CB-SG 3.41Å; C11-C177 WeakPolarHBondContact SG-CA 3.36Å; C11-C177 WeakPolarHBondContact SG-CB 3.46Å; C11-C177 PolarHBondContact SG-N 3.19Å; C11-C177 VanDerWaalsContact SG-N 3.36Å; C11-C177 CovalentContact SG-SG 2.05Å; C11-C177 PolarHBondContact SG-SG 3.44Å; C175-C177 PolarHBondContact O-N 3.44Å; C175-C177 VanDerWaalsContact O-N 3.15Å
178D91.8Very high92.9Very high61 Ų6138.4 Ų38.433%0.32621%0.207SC..  trans-142.586.6176-176.4-0000110.1C175 S180 D181C175-D178 CarbonylContact O-C 3.59Å; C175-D178 PolarHBondContact O-N 3.47Å; D178-S180 PolarHBondContact O-N 3Å; D178-S180 VanDerWaalsContact O-N 3.15Å; D178-S180 WeakPolarHBondContact OD1-CB 3.49Å; D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 VanDerWaalsContact OD1-N 3.11Å; D178-S180 PolarHBondContact OD1-OG 3.29Å; D178-D181 HydrophobicContact CB-CB 4.27Å; D178-D181 PolarHBondContact O-N 3.1Å
179L91.6Very high92.9Very high27 Ų2737.8 Ų37.814%0.14120%0.203CC..G310 helixtrans-61.3-22.8-179.8-69.4178.1000113.2Y12 F19 F20 H23 D181 C182Y12-L179 HydrophobicContact CD1-CD1 4.32Å; Y12-L179 HydrophobicContact CD2-CD1 3.72Å; Y12-L179 HydrophobicContact CD2-CD2 4.1Å; Y12-L179 HydrophobicContact CD2-CG 3.68Å; Y12-L179 HydrophobicContact CE1-CD1 4.01Å; Y12-L179 HydrophobicContact CE2-CD1 3.38Å; Y12-L179 HydrophobicContact CE2-CG 3.65Å; Y12-L179 HydrophobicContact CG-CD1 4.19Å; Y12-L179 HydrophobicContact CG-CD2 4.44Å; Y12-L179 HydrophobicContact CG-CG 4.39Å; F19-L179 HydrophobicContact CE1-CD1 4.28Å; F19-L179 HydrophobicContact CE1-CD2 4.01Å; F19-L179 HydrophobicContact CZ-CD1 4.15Å; F20-L179 HydrophobicContact CD1-CD2 4.08Å; F20-L179 HydrophobicContact CE1-CD2 3.8Å; H23-L179 PolarHBondContact NE2-O 2.71Å; L179-D181 PolarHBondContact O-N 2.97Å; L179-C182 PolarHBondContact O-N 3.17Å
180S90.9Very high93Very high83 Ų8337.9 Ų37.958%0.5820%0.203SC*.G310 helixtrans-70.6-23.3177.380.30000111.7D178 R191D178-S180 PolarHBondContact O-N 3Å; D178-S180 VanDerWaalsContact O-N 3.15Å; D178-S180 WeakPolarHBondContact OD1-CB 3.49Å; D178-S180 PolarHBondContact OD1-N 2.98Å; D178-S180 VanDerWaalsContact OD1-N 3.11Å; D178-S180 PolarHBondContact OD1-OG 3.29Å; S180-R191 PolarHBondContact O-NH2 3.48Å
181D93.4Very high93.1Very high13 Ų1339.5 Ų39.57%0.0720%0.204CC..G310 helixtrans-94.84.6-179.2-158.243.2000113.7D178 L179 S190 R191 R192D178-D181 HydrophobicContact CB-CB 4.27Å; D178-D181 PolarHBondContact O-N 3.1Å; L179-D181 PolarHBondContact O-N 2.97Å; D181-S190 CarbonylContact O-C 3.48Å; D181-S190 WeakPolarHBondContact O-CA 3.17Å; D181-S190 WeakPolarHBondContact OD2-CB 3.47Å; D181-S190 PolarHBondContact OD2-OG 2.85Å; D181-R191 WeakPolarHBondContact O-CG 3.41Å; D181-R191 PolarHBondContact O-N 3.31Å; D181-R191 IonicContact OD1-NE 2.98Å; D181-R192 IonicContact OD1-NE 3.56Å; D181-R192 IonicContact OD2-NE 3.64Å
182C94.3Very high93.3Very high8 Ų841.7 Ų41.75%0.05421%0.205CC..BIsolated β-bridgetrans-69135.3176.7-66.70000112.6C175 L179C175-C182 HydrophobicContact CB-CB 3.84Å; C175-C182 WeakPolarHBondContact CB-SG 3.41Å; C175-C182 WeakPolarHBondContact SG-CA 3.2Å; C175-C182 WeakPolarHBondContact SG-CB 3.4Å; C175-C182 CovalentContact SG-SG 2.05Å; C175-C182 PolarHBondContact SG-SG 3.16Å; L179-C182 PolarHBondContact O-N 3.17Å
183S95.1Very high93.5Very high0 Ų034.2 Ų34.20%017%0.172CC..  trans-69.8153.2172.7158.20000112.2V185 A186 P187 Y189 L194 D266S183-V185 PolarHBondContact OG-N 2.96Å; S183-A186 WeakPolarHBondContact CB-O 3.28Å; S183-A186 PolarHBondContact OG-N 3.37Å; S183-P187 WeakPolarHBondContact O-CA 3.22Å; S183-Y189 PolarHBondContact N-O 3.24Å; S183-Y189 VanDerWaalsContact N-O 3.11Å; S183-L194 VanDerWaalsContact CB-CD1 3.48Å; S183-L194 WeakPolarHBondContact OG-CD1 3.35Å; S183-D266 VanDerWaalsContact CB-OD2 3.23Å; S183-D266 WeakPolarHBondContact CB-OD2 3.44Å; S183-D266 PolarHBondContact OG-OD2 2.87Å
184T93.1Very high93.7Very high4 Ų429 Ų293%0.02515%0.153CC..SBendtrans-85.7-35.5172.177.80000112.1K26 D266 G270 K271 N276K26-T184 WeakPolarHBondContact CD-O 3.38Å; T184-D266 WeakPolarHBondContact CA-OD1 3.43Å; T184-D266 VanDerWaalsContact CB-OD1 3.27Å; T184-D266 WeakPolarHBondContact CB-OD1 3.4Å; T184-D266 PolarHBondContact N-OD1 2.85Å; T184-D266 PolarHBondContact N-OD2 3.29Å; T184-D266 PolarHBondContact OG1-OD1 3.43Å; T184-G270 VanDerWaalsContact CG2-C 3.49Å; T184-K271 HydrophobicContact CG2-CB 4.48Å; T184-K271 HydrophobicContact CG2-CG 4.04Å; T184-N276 VanDerWaalsContact C-OD1 3.28Å; T184-N276 WeakPolarHBondContact CB-ND2 3.49Å; T184-N276 PolarHBondContact O-ND2 3.32Å; T184-N276 PolarHBondContact O-OD1 3.2Å; T184-N276 VanDerWaalsContact O-OD1 3.06Å; T184-N276 PolarHBondContact OG1-ND2 3.3Å
185V92.8Very high93.8Very high22 Ų2229 Ų2913%0.13315%0.152CC..SBendtrans-69.1-44.7177.6170.80000111.2K26 S183 V262 L263 D266 A275 N276 E279K26-V185 PolarHBondContact NZ-O 3.48Å; S183-V185 PolarHBondContact OG-N 2.96Å; V185-V262 HydrophobicContact CG2-CG1 4.35Å; V185-L263 HydrophobicContact CG1-CD2 3.92Å; V185-D266 HydrophobicContact CB-CB 4.43Å; V185-D266 HydrophobicContact CG2-CB 3.82Å; V185-D266 PolarHBondContact N-OD1 2.95Å; V185-A275 HydrophobicContact CG2-CB 3.79Å; V185-N276 VanDerWaalsContact CA-OD1 3.24Å; V185-N276 WeakPolarHBondContact CA-OD1 3.48Å; V185-N276 PolarHBondContact N-OD1 3.01Å; V185-E279 HydrophobicContact CG1-CB 4.48Å
186A94.4Very high94Very high14 Ų1433 Ų3312%0.11617%0.17CC..SBendtrans-126.582.8-176.700000110.3W108 S183 L188 Y189 L194W108-A186 HydrophobicContact CH2-CB 3.97Å; W108-A186 HydrophobicContact CZ2-CB 4.38Å; S183-A186 WeakPolarHBondContact CB-O 3.28Å; S183-A186 PolarHBondContact OG-N 3.37Å; A186-L188 PolarHBondContact O-N 3.29Å; A186-Y189 HydrophobicContact CB-CD2 4.34Å; A186-Y189 HydrophobicContact CB-CG 4.08Å; A186-Y189 PolarHBondContact O-N 3.12Å; A186-L194 HydrophobicContact CB-CD1 4.47Å
187P93.5Very high94.2Very high0 Ų032.4 Ų32.40%017%0.167CC..THydrogen-bonded Turntrans-60.2-12.3-165.2-30.438.5000118.8F20 Y21 A24 K26 C175 S183F20-P187 HydrophobicContact CB-CB 4.03Å; Y21-P187 HydrophobicContact CD1-CG 4.14Å; Y21-P187 HydrophobicContact CD2-CB 3.96Å; Y21-P187 HydrophobicContact CD2-CG 3.81Å; Y21-P187 HydrophobicContact CE1-CG 4.22Å; Y21-P187 HydrophobicContact CE2-CB 4.24Å; Y21-P187 HydrophobicContact CE2-CG 3.91Å; Y21-P187 HydrophobicContact CG-CB 4.4Å; Y21-P187 HydrophobicContact CG-CG 3.95Å; A24-P187 HydrophobicContact CB-CB 3.85Å; A24-P187 HydrophobicContact CB-CG 3.8Å; K26-P187 HydrophobicContact CD-CG 4.43Å; C175-P187 PolarHBondContact SG-O 3.12Å; S183-P187 WeakPolarHBondContact O-CA 3.22Å
188L94.3Very high94.4Very high0 Ų028.5 Ų28.50%014%0.14CC..THydrogen-bonded Turntrans-100.6-12.6174.1-75.771.8000112.7V17 F20 K105 W108 Y109 C175 A186V17-L188 HydrophobicContact CG1-CD1 4.34Å; F20-L188 HydrophobicContact CB-CD1 3.72Å; F20-L188 HydrophobicContact CB-CG 4.35Å; F20-L188 HydrophobicContact CD2-CD1 4.11Å; F20-L188 HydrophobicContact CD2-CG 4.11Å; F20-L188 HydrophobicContact CG-CD1 4Å; F20-L188 HydrophobicContact CG-CG 4.11Å; K105-L188 HydrophobicContact CB-CD2 4.16Å; K105-L188 HydrophobicContact CD-CD2 4.08Å; K105-L188 HydrophobicContact CG-CD2 3.99Å; W108-L188 HydrophobicContact CD2-CD1 4.14Å; W108-L188 HydrophobicContact CD2-CD2 4.26Å; W108-L188 HydrophobicContact CE3-CB 3.89Å; W108-L188 HydrophobicContact CE3-CD1 4.28Å; W108-L188 HydrophobicContact CE3-CD2 3.91Å; W108-L188 HydrophobicContact CE3-CG 4.25Å; W108-L188 HydrophobicContact CH2-CB 3.93Å; W108-L188 HydrophobicContact CZ2-CD1 4.35Å; W108-L188 HydrophobicContact CZ3-CB 3.54Å; W108-L188 HydrophobicContact CZ3-CD1 4.47Å; W108-L188 HydrophobicContact CZ3-CD2 4.43Å; W108-L188 HydrophobicContact CZ3-CG 4.35Å; Y109-L188 HydrophobicContact CE1-CB 4.1Å; Y109-L188 HydrophobicContact CE2-CD2 3.93Å; C175-L188 PolarHBondContact N-O 3.15Å; C175-L188 VanDerWaalsContact N-O 3.13Å; A186-L188 PolarHBondContact O-N 3.29Å
189Y95.4Very high94.7Very high9 Ų929.9 Ų29.94%0.03515%0.147CC..BIsolated β-bridgetrans-84.2146.6178.3-7926.5000110.3W108 Y109 D116 P169 S183 A186 F193 L194W108-Y189 HydrophobicContact CE3-CE1 4.45Å; W108-Y189 AromaticContact CH2-CD1 3.72Å; W108-Y189 HydrophobicContact CH2-CD1 3.72Å; W108-Y189 AromaticContact CH2-CE1 3.96Å; W108-Y189 HydrophobicContact CH2-CE1 3.96Å; W108-Y189 HydrophobicContact CH2-CG 4.47Å; W108-Y189 AromaticContact CZ3-CD1 3.45Å; W108-Y189 HydrophobicContact CZ3-CD1 3.45Å; W108-Y189 VanDerWaalsContact CZ3-CD1 3.45Å; W108-Y189 AromaticContact CZ3-CE1 3.42Å; W108-Y189 HydrophobicContact CZ3-CE1 3.42Å; W108-Y189 VanDerWaalsContact CZ3-CE1 3.42Å; Y109-Y189 HydrophobicContact CD1-CD1 4.43Å; Y109-Y189 AromaticContact CD1-CE1 3.91Å; Y109-Y189 HydrophobicContact CD1-CE1 3.91Å; Y109-Y189 HydrophobicContact CE1-CD1 4.23Å; Y109-Y189 HydrophobicContact CE1-CE1 4.17Å; D116-Y189 PolarHBondContact OD2-OH 3.43Å; P169-Y189 HydrophobicContact CB-CD1 3.78Å; P169-Y189 HydrophobicContact CB-CD2 4.02Å; P169-Y189 HydrophobicContact CB-CE1 3.49Å; P169-Y189 VanDerWaalsContact CB-CE1 3.49Å; P169-Y189 HydrophobicContact CB-CE2 3.75Å; P169-Y189 HydrophobicContact CB-CG 4.05Å; P169-Y189 VanDerWaalsContact CB-CZ 3.48Å; P169-Y189 HydrophobicContact CG-CD2 4.09Å; P169-Y189 HydrophobicContact CG-CE1 4.19Å; P169-Y189 HydrophobicContact CG-CE2 3.58Å; S183-Y189 PolarHBondContact N-O 3.24Å; S183-Y189 VanDerWaalsContact N-O 3.11Å; A186-Y189 HydrophobicContact CB-CD2 4.34Å; A186-Y189 HydrophobicContact CB-CG 4.08Å; A186-Y189 PolarHBondContact O-N 3.12Å; Y189-F193 AromaticContact CD2-CD1 3.71Å; Y189-F193 HydrophobicContact CD2-CD1 3.71Å; Y189-F193 AromaticContact CD2-CE1 3.7Å; Y189-F193 HydrophobicContact CD2-CE1 3.7Å; Y189-F193 HydrophobicContact CE2-CD1 4.19Å; Y189-F193 AromaticContact CE2-CE1 3.7Å; Y189-F193 HydrophobicContact CE2-CE1 3.7Å; Y189-L194 HydrophobicContact CD2-CD2 3.82Å
190S95.4Very high94.9Very high2 Ų231.7 Ų31.71%0.01416%0.157CC..BIsolated β-bridgetrans-70.3138.1168.1161.20000110.8W173 D181 R192 F193 L194W173-S190 WeakPolarHBondContact O-CB 3.37Å; W173-S190 PolarHBondContact O-N 3Å; D181-S190 CarbonylContact O-C 3.48Å; D181-S190 WeakPolarHBondContact O-CA 3.17Å; D181-S190 WeakPolarHBondContact OD2-CB 3.47Å; D181-S190 PolarHBondContact OD2-OG 2.85Å; S190-R192 VanDerWaalsContact C-N 3.25Å; S190-R192 PolarHBondContact O-N 3.39Å; S190-R192 WeakPolarHBondContact OG-CB 3.43Å; S190-R192 PolarHBondContact OG-N 3.43Å; S190-R192 VanDerWaalsContact OG-N 3.12Å; S190-F193 PolarHBondContact O-N 3.13Å; S190-L194 PolarHBondContact O-N 3.2Å
191R94.9Very high95.1Very high66 Ų6628 Ų2825%0.24913%0.13CC..Hα-helixtrans-58.6-38.3171.6-72.6-175.8-60167.2-4.1111.9S180 D181 F193 L194 I195S180-R191 PolarHBondContact O-NH2 3.48Å; D181-R191 WeakPolarHBondContact O-CG 3.41Å; D181-R191 PolarHBondContact O-N 3.31Å; D181-R191 IonicContact OD1-NE 2.98Å; R191-F193 VanDerWaalsContact C-N 3.31Å; R191-F193 PolarHBondContact O-N 2.93Å; R191-L194 PolarHBondContact O-N 2.86Å; R191-I195 WeakPolarHBondContact O-CG1 3.26Å; R191-I195 PolarHBondContact O-N 3.04Å
192R95.4Very high95.3Very high154 Ų15429.4 Ų29.458%0.58114%0.138SC*.Hα-helixtrans-62.1-40.4178.9-58.3175.4-166.2178.55.4111.3D181 S190 I195 F196D181-R192 IonicContact OD1-NE 3.56Å; D181-R192 IonicContact OD2-NE 3.64Å; S190-R192 VanDerWaalsContact C-N 3.25Å; S190-R192 PolarHBondContact O-N 3.39Å; S190-R192 WeakPolarHBondContact OG-CB 3.43Å; S190-R192 PolarHBondContact OG-N 3.43Å; S190-R192 VanDerWaalsContact OG-N 3.12Å; R192-I195 PolarHBondContact O-N 2.76Å; R192-F196 WeakPolarHBondContact O-CB 3.42Å; R192-F196 PolarHBondContact O-N 2.68Å
193F95.3Very high95.4Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-62.6-46.6173.8169.5-100.5000111.8V168 P169 W173 Y189 S190 R191 I195 F196 W197V168-F193 HydrophobicContact CB-CE2 4.28Å; V168-F193 HydrophobicContact CG1-CD2 3.87Å; V168-F193 HydrophobicContact CG1-CE2 3.78Å; P169-F193 HydrophobicContact CB-CD1 4.43Å; P169-F193 HydrophobicContact CB-CE1 4.33Å; P169-F193 HydrophobicContact CG-CD1 3.77Å; P169-F193 HydrophobicContact CG-CD2 4.32Å; P169-F193 HydrophobicContact CG-CE1 3.28Å; P169-F193 HydrophobicContact CG-CE2 3.86Å; P169-F193 HydrophobicContact CG-CG 4.27Å; P169-F193 HydrophobicContact CG-CZ 3.32Å; W173-F193 HydrophobicContact CB-CB 3.91Å; W173-F193 HydrophobicContact CB-CD2 4.46Å; W173-F193 HydrophobicContact CB-CG 4.42Å; W173-F193 HydrophobicContact CD2-CB 4.49Å; W173-F193 HydrophobicContact CE3-CB 4.32Å; W173-F193 AromaticContact CE3-CD2 3.8Å; W173-F193 HydrophobicContact CE3-CD2 3.8Å; W173-F193 HydrophobicContact CG-CB 4.42Å; W173-F193 HydrophobicContact CZ3-CD2 4.46Å; Y189-F193 AromaticContact CD2-CD1 3.71Å; Y189-F193 HydrophobicContact CD2-CD1 3.71Å; Y189-F193 AromaticContact CD2-CE1 3.7Å; Y189-F193 HydrophobicContact CD2-CE1 3.7Å; Y189-F193 HydrophobicContact CE2-CD1 4.19Å; Y189-F193 AromaticContact CE2-CE1 3.7Å; Y189-F193 HydrophobicContact CE2-CE1 3.7Å; S190-F193 PolarHBondContact O-N 3.13Å; R191-F193 VanDerWaalsContact C-N 3.31Å; R191-F193 PolarHBondContact O-N 2.93Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.24Å; F193-F196 HydrophobicContact CD2-CD1 4.49Å; F193-F196 PolarHBondContact O-N 3.12Å; F193-W197 HydrophobicContact CE1-CB 4.24Å; F193-W197 HydrophobicContact CE1-CG 4.41Å; F193-W197 HydrophobicContact CE2-CB 4.38Å; F193-W197 HydrophobicContact CZ-CB 4.1Å; F193-W197 HydrophobicContact CZ-CD2 4.25Å; F193-W197 HydrophobicContact CZ-CE3 4.31Å; F193-W197 HydrophobicContact CZ-CG 4.18Å; F193-W197 WeakPolarHBondContact O-CB 3.35Å; F193-W197 PolarHBondContact O-N 3.38Å
194L95.3Very high95.4Very high5 Ų535.2 Ų35.23%0.02617%0.169CC..Hα-helixtrans-61.5-39.2179.3-68.2-176.3000112.6S183 A186 Y189 S190 R191 A198 L263S183-L194 VanDerWaalsContact CB-CD1 3.48Å; S183-L194 WeakPolarHBondContact OG-CD1 3.35Å; A186-L194 HydrophobicContact CB-CD1 4.47Å; Y189-L194 HydrophobicContact CD2-CD2 3.82Å; S190-L194 PolarHBondContact O-N 3.2Å; R191-L194 PolarHBondContact O-N 2.86Å; L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 2.86Å; L194-L263 HydrophobicContact CD1-CD2 4.32Å; L194-L263 HydrophobicContact CD2-CD2 4.23Å
195I96.6Very high95.4Very high42 Ų4235.3 Ų35.322%0.21517%0.169CC..Hα-helixtrans-61.5-52.3174.1-65.4166.9000110.1R191 R192 F193 W197 A198 L199 L264 L268R191-I195 WeakPolarHBondContact O-CG1 3.26Å; R191-I195 PolarHBondContact O-N 3.04Å; R192-I195 PolarHBondContact O-N 2.76Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.24Å; I195-W197 VanDerWaalsContact C-N 3.33Å; I195-W197 PolarHBondContact O-N 2.82Å; I195-A198 PolarHBondContact O-N 3.4Å; I195-L199 HydrophobicContact CG2-CD1 3.76Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 2.94Å; I195-L264 HydrophobicContact CG1-CD1 4.48Å; I195-L264 HydrophobicContact CG2-CD1 4.05Å; I195-L268 HydrophobicContact CD1-CD2 4.03Å; I195-L268 HydrophobicContact CD1-CG 4.47Å
196F96.7Very high95.5Very high84 Ų8441.5 Ų41.537%0.36820%0.195SC..Hα-helixtrans-57-47.9178.9164.9-103.9000111.6M165 W173 R192 F193 L199 L200M165-F196 HydrophobicContact CE-CE1 3.88Å; W173-F196 HydrophobicContact CH2-CD1 4.38Å; W173-F196 HydrophobicContact CH2-CG 4.42Å; W173-F196 AromaticContact CZ3-CD1 3.69Å; W173-F196 HydrophobicContact CZ3-CD1 3.69Å; W173-F196 HydrophobicContact CZ3-CE1 4Å; W173-F196 HydrophobicContact CZ3-CG 4.14Å; R192-F196 WeakPolarHBondContact O-CB 3.42Å; R192-F196 PolarHBondContact O-N 2.68Å; F193-F196 HydrophobicContact CD2-CD1 4.49Å; F193-F196 PolarHBondContact O-N 3.12Å; F196-L199 PolarHBondContact O-N 3.45Å; F196-L200 HydrophobicContact CE1-CD2 4.44Å; F196-L200 HydrophobicContact CZ-CD2 4.2Å; F196-L200 VanDerWaalsContact O-CB 3.3Å; F196-L200 WeakPolarHBondContact O-CB 3.42Å; F196-L200 PolarHBondContact O-N 3.17Å
197W95.9Very high95.5Very high4 Ų443.9 Ų43.92%0.01521%0.207CC..Hα-helixtrans-60.7-47179.4-178.7-111.1000112.2L119 T120 M165 F193 I195 L200 N201L119-W197 HydrophobicContact CD2-CZ2 3.92Å; L119-W197 HydrophobicContact CG-CZ2 4.28Å; T120-W197 HydrophobicContact CG2-CH2 4.36Å; T120-W197 WeakPolarHBondContact OG1-CH2 3.27Å; M165-W197 HydrophobicContact CB-CH2 4.15Å; M165-W197 HydrophobicContact CB-CZ3 3.75Å; M165-W197 HydrophobicContact CE-CE3 3.47Å; M165-W197 VanDerWaalsContact CE-CE3 3.47Å; M165-W197 HydrophobicContact CE-CZ3 3.31Å; M165-W197 HydrophobicContact CG-CZ3 3.94Å; M165-W197 HydrophobicContact SD-CZ3 4.45Å; F193-W197 HydrophobicContact CE1-CB 4.24Å; F193-W197 HydrophobicContact CE1-CG 4.41Å; F193-W197 HydrophobicContact CE2-CB 4.38Å; F193-W197 HydrophobicContact CZ-CB 4.1Å; F193-W197 HydrophobicContact CZ-CD2 4.25Å; F193-W197 HydrophobicContact CZ-CE3 4.31Å; F193-W197 HydrophobicContact CZ-CG 4.18Å; F193-W197 WeakPolarHBondContact O-CB 3.35Å; F193-W197 PolarHBondContact O-N 3.38Å; I195-W197 VanDerWaalsContact C-N 3.33Å; I195-W197 PolarHBondContact O-N 2.82Å; W197-L200 PolarHBondContact O-N 2.97Å; W197-N201 VanDerWaalsContact CE2-ND2 3.28Å; W197-N201 WeakPolarHBondContact CZ2-ND2 3.36Å; W197-N201 PolarHBondContact O-N 3.42Å; W197-N201 VanDerWaalsContact O-N 3.15Å; W197-N201 PolarHBondContact O-ND2 3.14Å
198A96.5Very high95.5Very high0 Ų043.9 Ų43.90%021%0.207CC..Hα-helixtrans-63.7-46.8178.500000111.7L194 I195 L200 N201 L202 L263 L264L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 2.86Å; I195-A198 PolarHBondContact O-N 3.4Å; A198-L200 PolarHBondContact O-N 3.25Å; A198-N201 PolarHBondContact O-N 3.18Å; A198-L202 WeakPolarHBondContact O-CB 3.33Å; A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.39Å; A198-L202 PolarHBondContact O-N 3.49Å; A198-L263 HydrophobicContact CB-CB 4.44Å; A198-L264 HydrophobicContact CB-CB 4.14Å
199L97.4Very high95.3Very high90 Ų9047.3 Ų47.347%0.47123%0.225SC..Hα-helixtrans-64.4-40.3179.1-69.2177000112.3I195 F196 L202 L203 L264I195-L199 HydrophobicContact CG2-CD1 3.76Å; I195-L199 HydrophobicContact CG2-CG 4.32Å; I195-L199 WeakPolarHBondContact O-CB 3.27Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 2.94Å; F196-L199 PolarHBondContact O-N 3.45Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-L203 VanDerWaalsContact O-CB 3.23Å; L199-L203 WeakPolarHBondContact O-CB 3.1Å; L199-L203 PolarHBondContact O-N 3.47Å; L199-L264 HydrophobicContact CD2-CD1 4.16Å; L199-L264 HydrophobicContact CD2-CD2 4.38Å; L199-L264 HydrophobicContact CG-CD1 4.2Å
200L96.1Very high95.2Very high65 Ų6548.7 Ų48.734%0.3424%0.242SC..Hα-helixtrans-60.3-46.8176.6178.666000111.6M165 F196 W197 A198 T204M165-L200 HydrophobicContact CE-CD2 4.13Å; F196-L200 HydrophobicContact CE1-CD2 4.44Å; F196-L200 HydrophobicContact CZ-CD2 4.2Å; F196-L200 VanDerWaalsContact O-CB 3.3Å; F196-L200 WeakPolarHBondContact O-CB 3.42Å; F196-L200 PolarHBondContact O-N 3.17Å; W197-L200 PolarHBondContact O-N 2.97Å; A198-L200 PolarHBondContact O-N 3.25Å; L200-T204 PolarHBondContact O-N 3.01Å; L200-T204 PolarHBondContact O-OG1 3.04Å
201N95.9Very high94.9Very high5 Ų550.2 Ų50.23%0.02725%0.25CC..Hα-helixtrans-67.9-43.5178.8-78.9-80.9000111.8W197 A198 L203 T204 F205 L260W197-N201 VanDerWaalsContact CE2-ND2 3.28Å; W197-N201 WeakPolarHBondContact CZ2-ND2 3.36Å; W197-N201 PolarHBondContact O-N 3.42Å; W197-N201 VanDerWaalsContact O-N 3.15Å; W197-N201 PolarHBondContact O-ND2 3.14Å; A198-N201 PolarHBondContact O-N 3.18Å; N201-L203 PolarHBondContact O-N 3.24Å; N201-T204 WeakPolarHBondContact O-CB 3.46Å; N201-T204 PolarHBondContact O-N 3.4Å; N201-T204 VanDerWaalsContact O-N 3.14Å; N201-F205 WeakPolarHBondContact O-CD1 3.36Å; N201-F205 WeakPolarHBondContact O-CG 3.46Å; N201-F205 PolarHBondContact O-N 3.1Å; N201-L260 HydrophobicContact CB-CD1 3.72Å; N201-L260 HydrophobicContact CB-CD2 3.92Å
202L96.3Very high94.5Very high44 Ų4447.9 Ų47.923%0.2324%0.241CC..Hα-helixtrans-62.4-41176.3-72.4171.1000112.4A198 L199 T204 F205 F206 T257 L260 L264A198-L202 WeakPolarHBondContact O-CB 3.33Å; A198-L202 VanDerWaalsContact O-CG 3.25Å; A198-L202 WeakPolarHBondContact O-CG 3.39Å; A198-L202 PolarHBondContact O-N 3.49Å; L199-L202 PolarHBondContact O-N 2.91Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 3.12Å; L202-F205 WeakPolarHBondContact O-CB 3.32Å; L202-F205 PolarHBondContact O-N 3.16Å; L202-F206 PolarHBondContact O-N 3.29Å; L202-T257 HydrophobicContact CD2-CG2 4.27Å; L202-L260 HydrophobicContact CD2-CB 4.19Å; L202-L260 HydrophobicContact CD2-CD1 4.01Å; L202-L260 HydrophobicContact CG-CB 4.21Å; L202-L260 HydrophobicContact CG-CD1 4.13Å; L202-L264 HydrophobicContact CD1-CD2 4.49Å
203L96.3Very high94.1Very high105 Ų10544 Ų4455%0.5524%0.237SC..Hα-helixtrans-60.8-42.9173.2176.662.2000110.8L199 N201 F205 F206 V207L199-L203 VanDerWaalsContact O-CB 3.23Å; L199-L203 WeakPolarHBondContact O-CB 3.1Å; L199-L203 PolarHBondContact O-N 3.47Å; N201-L203 PolarHBondContact O-N 3.24Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.23Å; L203-F206 WeakPolarHBondContact O-CB 3.49Å; L203-F206 PolarHBondContact O-N 2.87Å; L203-V207 HydrophobicContact CD1-CG2 4.47Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 2.89Å
204T94.8Very high93.8Very high25 Ų2548.6 Ų48.615%0.15326%0.259CS..Hα-helixtrans-63.4-38.9177.7-53.40000111.3V123 L127 L200 N201 L202 V207 M208V123-T204 HydrophobicContact CG1-CG2 3.46Å; V123-T204 VanDerWaalsContact CG1-CG2 3.46Å; L127-T204 HydrophobicContact CD2-CG2 4.17Å; L200-T204 PolarHBondContact O-N 3.01Å; L200-T204 PolarHBondContact O-OG1 3.04Å; N201-T204 WeakPolarHBondContact O-CB 3.46Å; N201-T204 PolarHBondContact O-N 3.4Å; N201-T204 VanDerWaalsContact O-N 3.14Å; L202-T204 VanDerWaalsContact C-N 3.3Å; L202-T204 PolarHBondContact O-N 3.12Å; T204-V207 PolarHBondContact O-N 3.24Å; T204-M208 HydrophobicContact CG2-CE 4.2Å; T204-M208 WeakPolarHBondContact O-CG 3.46Å; T204-M208 PolarHBondContact O-N 2.99Å
205F94.7Very high93.4Very high5 Ų548.3 Ų48.32%0.02226%0.257CS..Hα-helixtrans-63-43.9174.4-67.13.4000111.2V123 N201 L202 L203 V207 M208 L209 F252 V253 W256 L260V123-F205 HydrophobicContact CG2-CE1 3.89Å; N201-F205 WeakPolarHBondContact O-CD1 3.36Å; N201-F205 WeakPolarHBondContact O-CG 3.46Å; N201-F205 PolarHBondContact O-N 3.1Å; L202-F205 WeakPolarHBondContact O-CB 3.32Å; L202-F205 PolarHBondContact O-N 3.16Å; L203-F205 VanDerWaalsContact C-N 3.31Å; L203-F205 PolarHBondContact O-N 3.23Å; F205-V207 PolarHBondContact O-N 3.4Å; F205-M208 HydrophobicContact CD1-CE 3.57Å; F205-M208 HydrophobicContact CE1-CE 4.22Å; F205-M208 HydrophobicContact CG-CE 4.48Å; F205-M208 PolarHBondContact O-N 2.97Å; F205-L209 WeakPolarHBondContact O-CB 3.05Å; F205-L209 VanDerWaalsContact O-CG 3.28Å; F205-L209 WeakPolarHBondContact O-CG 3.47Å; F205-L209 PolarHBondContact O-N 3.23Å; F205-F252 HydrophobicContact CD1-CE1 4.49Å; F205-F252 AromaticContact CE1-CD1 3.81Å; F205-F252 HydrophobicContact CE1-CD1 3.81Å; F205-F252 AromaticContact CE1-CE1 3.42Å; F205-F252 HydrophobicContact CE1-CE1 3.42Å; F205-F252 VanDerWaalsContact CE1-CE1 3.42Å; F205-F252 AromaticContact CZ-CD1 3.79Å; F205-F252 HydrophobicContact CZ-CD1 3.79Å; F205-F252 AromaticContact CZ-CE1 3.45Å; F205-F252 HydrophobicContact CZ-CE1 3.45Å; F205-F252 VanDerWaalsContact CZ-CE1 3.45Å; F205-V253 HydrophobicContact CB-CG2 4.11Å; F205-V253 HydrophobicContact CD2-CB 4.4Å; F205-V253 HydrophobicContact CD2-CG1 4.24Å; F205-V253 HydrophobicContact CD2-CG2 4.06Å; F205-V253 HydrophobicContact CG-CG2 4.03Å; F205-W256 HydrophobicContact CE2-CB 3.89Å; F205-W256 HydrophobicContact CZ-CB 3.81Å; F205-L260 HydrophobicContact CD2-CD1 4.27Å; F205-L260 HydrophobicContact CE2-CD1 3.51Å; F205-L260 HydrophobicContact CZ-CD1 3.77Å
206F94.9Very high92.8Very high153 Ų15352.5 Ų52.567%0.67127%0.274SS*.Hα-helixtrans-60.6-44.8176.7-178.9-98.2000112L202 L203 L209 G210L202-F206 PolarHBondContact O-N 3.29Å; L203-F206 WeakPolarHBondContact O-CB 3.49Å; L203-F206 PolarHBondContact O-N 2.87Å; F206-L209 PolarHBondContact O-N 3.37Å; F206-G210 PolarHBondContact O-N 3.25Å
207V94.4Very high92.3Very high63 Ų6351.5 Ų51.538%0.38228%0.277SS..Hα-helixtrans-60.7-48.1175.9170.80000111L127 L203 T204 F205 L209 G210 M211L127-V207 HydrophobicContact CD1-CG1 4.41Å; L203-V207 HydrophobicContact CD1-CG2 4.47Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 2.89Å; T204-V207 PolarHBondContact O-N 3.24Å; F205-V207 PolarHBondContact O-N 3.4Å; V207-L209 PolarHBondContact O-N 3.37Å; V207-G210 PolarHBondContact O-N 3.49Å; V207-M211 HydrophobicContact CG1-SD 4.06Å; V207-M211 VanDerWaalsContact O-CG 3.31Å; V207-M211 WeakPolarHBondContact O-CG 3.12Å; V207-M211 PolarHBondContact O-N 2.73Å
208M91.9Very high91.8Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-59-48.6177.5-71.6-172.6-69.400111.3L126 L127 T204 F205 G210 M211 Y212 L249L126-M208 HydrophobicContact CB-SD 3.78Å; L127-M208 HydrophobicContact CB-CG 4.42Å; L127-M208 HydrophobicContact CB-SD 4.21Å; L127-M208 HydrophobicContact CD1-CG 3.81Å; T204-M208 HydrophobicContact CG2-CE 4.2Å; T204-M208 WeakPolarHBondContact O-CG 3.46Å; T204-M208 PolarHBondContact O-N 2.99Å; F205-M208 HydrophobicContact CD1-CE 3.57Å; F205-M208 HydrophobicContact CE1-CE 4.22Å; F205-M208 HydrophobicContact CG-CE 4.48Å; F205-M208 PolarHBondContact O-N 2.97Å; M208-G210 VanDerWaalsContact C-N 3.35Å; M208-G210 PolarHBondContact O-N 3.45Å; M208-M211 WeakPolarHBondContact O-CB 3.46Å; M208-M211 PolarHBondContact O-N 3.04Å; M208-Y212 VanDerWaalsContact O-CD2 3.24Å; M208-Y212 WeakPolarHBondContact O-CD2 3.35Å; M208-Y212 PolarHBondContact O-N 2.94Å; M208-L249 HydrophobicContact CB-CD1 3.89Å; M208-L249 HydrophobicContact CB-CD2 3.99Å; M208-L249 HydrophobicContact CE-CD1 3.82Å; M208-L249 HydrophobicContact CG-CD1 4.4Å; M208-L249 HydrophobicContact SD-CD1 3.68Å
209L91.9Very high90.9Very high73 Ų7355 Ų5538%0.38229%0.294SS..Hα-helixtrans-59.4-44.9177.5-70.9173000111.8F205 F206 V207 M211 Y212 S213 L249 V253F205-L209 WeakPolarHBondContact O-CB 3.05Å; F205-L209 VanDerWaalsContact O-CG 3.28Å; F205-L209 WeakPolarHBondContact O-CG 3.47Å; F205-L209 PolarHBondContact O-N 3.23Å; F206-L209 PolarHBondContact O-N 3.37Å; V207-L209 PolarHBondContact O-N 3.37Å; L209-M211 VanDerWaalsContact C-N 3.35Å; L209-M211 PolarHBondContact O-N 3.27Å; L209-Y212 PolarHBondContact O-N 2.8Å; L209-S213 WeakPolarHBondContact O-CB 3.28Å; L209-S213 PolarHBondContact O-N 3.12Å; L209-S213 PolarHBondContact O-OG 3.37Å; L209-S213 VanDerWaalsContact O-OG 3.09Å; L209-L249 HydrophobicContact CD2-CD2 4.19Å; L209-V253 HydrophobicContact CD1-CG1 4.44Å; L209-V253 HydrophobicContact CD1-CG2 4.49Å
210G92Very high90.2Very high38 Ų3856.4 Ų56.439%0.39230%0.297SS..Hα-helixtrans-59-43.7176.400000112.7F206 V207 M208 Y212 S213 H214F206-G210 PolarHBondContact O-N 3.25Å; V207-G210 PolarHBondContact O-N 3.49Å; M208-G210 VanDerWaalsContact C-N 3.35Å; M208-G210 PolarHBondContact O-N 3.45Å; G210-Y212 PolarHBondContact O-N 2.97Å; G210-S213 PolarHBondContact O-N 3Å; G210-H214 WeakPolarHBondContact O-CB 3.18Å; G210-H214 PolarHBondContact O-N 3.43Å
211M89.4Confident89.5Confident34 Ų3462 Ų6217%0.16731%0.313CS..Hα-helixtrans-60.1-45.9174.1-69.3173.366.500111.5L127 A130 V131 H134 V207 M208 L209 H214 I215L127-M211 HydrophobicContact CD1-SD 4.37Å; A130-M211 HydrophobicContact CB-CE 4.18Å; V131-M211 HydrophobicContact CB-CE 4.29Å; V131-M211 HydrophobicContact CG2-CE 3.74Å; H134-M211 HydrophobicContact CB-CE 3.87Å; V207-M211 HydrophobicContact CG1-SD 4.06Å; V207-M211 VanDerWaalsContact O-CG 3.31Å; V207-M211 WeakPolarHBondContact O-CG 3.12Å; V207-M211 PolarHBondContact O-N 2.73Å; M208-M211 WeakPolarHBondContact O-CB 3.46Å; M208-M211 PolarHBondContact O-N 3.04Å; L209-M211 VanDerWaalsContact C-N 3.35Å; L209-M211 PolarHBondContact O-N 3.27Å; M211-H214 WeakPolarHBondContact O-CB 3.22Å; M211-H214 PolarHBondContact O-N 3.04Å; M211-I215 VanDerWaalsContact O-CG1 3.24Å; M211-I215 WeakPolarHBondContact O-CG1 3.07Å; M211-I215 PolarHBondContact O-N 3.06Å
212Y85.9Confident88.5Confident16 Ų1665.3 Ų65.36%0.06333%0.329CS..Hα-helixtrans-69.3-38179.2-83.1-80.1000113.5A130 M208 L209 G210 H214 I215 F216 I245 L249A130-Y212 WeakPolarHBondContact CA-OH 3.46Å; A130-Y212 HydrophobicContact CB-CD2 4.49Å; A130-Y212 HydrophobicContact CB-CE2 3.58Å; M208-Y212 VanDerWaalsContact O-CD2 3.24Å; M208-Y212 WeakPolarHBondContact O-CD2 3.35Å; M208-Y212 PolarHBondContact O-N 2.94Å; L209-Y212 PolarHBondContact O-N 2.8Å; G210-Y212 PolarHBondContact O-N 2.97Å; Y212-H214 VanDerWaalsContact C-N 3.27Å; Y212-H214 PolarHBondContact O-N 2.94Å; Y212-I215 HydrophobicContact CD1-CD1 4.36Å; Y212-I215 PolarHBondContact O-N 3.15Å; Y212-F216 WeakPolarHBondContact O-CB 3.42Å; Y212-F216 PolarHBondContact O-N 3.2Å; Y212-I245 HydrophobicContact CE1-CB 4.29Å; Y212-I245 HydrophobicContact CE1-CG2 3.92Å; Y212-I245 WeakPolarHBondContact OH-CG2 3.25Å; Y212-L249 HydrophobicContact CD2-CD2 3.22Å; Y212-L249 HydrophobicContact CE2-CD2 3.57Å; Y212-L249 HydrophobicContact CG-CD2 4.07Å
213S88.3Confident87.3Confident73 Ų7364.8 Ų64.851%0.5133%0.333SS..Hα-helixtrans-58.5-43.2171.9-64.60000110.7L209 G210 F216 C217L209-S213 WeakPolarHBondContact O-CB 3.28Å; L209-S213 PolarHBondContact O-N 3.12Å; L209-S213 PolarHBondContact O-OG 3.37Å; L209-S213 VanDerWaalsContact O-OG 3.09Å; G210-S213 PolarHBondContact O-N 3Å; S213-F216 PolarHBondContact O-N 2.95Å; S213-C217 WeakPolarHBondContact O-CB 3.27Å; S213-C217 PolarHBondContact O-N 3.47Å; S213-C217 PolarHBondContact O-SG 2.05Å
214H89.3Confident85.9Confident96 Ų9669.2 Ų69.244%0.44434%0.343SS..Hα-helixtrans-60.7-49.7175.7-179-107.4000112.1H134 G210 M211 Y212 F216 C217 H218H134-H214 AromaticContact NE2-CE1 3.97Å; H134-H214 AromaticContact NE2-ND1 3.36Å; H134-H214 PolarHBondContact NE2-ND1 3.07Å; G210-H214 WeakPolarHBondContact O-CB 3.18Å; G210-H214 PolarHBondContact O-N 3.43Å; M211-H214 WeakPolarHBondContact O-CB 3.22Å; M211-H214 PolarHBondContact O-N 3.04Å; Y212-H214 VanDerWaalsContact C-N 3.27Å; Y212-H214 PolarHBondContact O-N 2.94Å; H214-F216 VanDerWaalsContact C-N 3.32Å; H214-F216 PolarHBondContact O-N 3.36Å; H214-C217 PolarHBondContact O-N 3.5Å; H214-H218 WeakPolarHBondContact O-CB 3.01Å; H214-H218 PolarHBondContact O-N 2.71Å
215I85.6Confident84.5Confident0 Ų076.1 Ų76.10%037%0.373CS..Hα-helixtrans-62.1-42179.2-54159.7000110.3H134 I137 M211 Y212 H218 V219 M242H134-I215 HydrophobicContact CB-CD1 3.94Å; H134-I215 HydrophobicContact CB-CG1 4.37Å; I137-I215 HydrophobicContact CB-CG2 4.06Å; I137-I215 HydrophobicContact CD1-CG2 3.76Å; I137-I215 HydrophobicContact CG2-CG2 3.64Å; M211-I215 VanDerWaalsContact O-CG1 3.24Å; M211-I215 WeakPolarHBondContact O-CG1 3.07Å; M211-I215 PolarHBondContact O-N 3.06Å; Y212-I215 HydrophobicContact CD1-CD1 4.36Å; Y212-I215 PolarHBondContact O-N 3.15Å; I215-H218 WeakPolarHBondContact O-CB 3.47Å; I215-H218 PolarHBondContact O-N 3.13Å; I215-V219 HydrophobicContact CG2-CG2 4.45Å; I215-V219 WeakPolarHBondContact O-CG2 3.41Å; I215-V219 PolarHBondContact O-N 2.93Å; I215-M242 HydrophobicContact CB-CE 3.51Å; I215-M242 HydrophobicContact CG2-CE 3.12Å; I215-M242 HydrophobicContact CG2-SD 3.75Å
216F84.2Confident82.9Confident129 Ų12978.8 Ų78.857%0.56639%0.39SS*.Hα-helixtrans-63.2-44.5179.5-178.1-98.5000111.9Y212 S213 H214 H218 V219 K220 M242Y212-F216 WeakPolarHBondContact O-CB 3.42Å; Y212-F216 PolarHBondContact O-N 3.2Å; S213-F216 PolarHBondContact O-N 2.95Å; H214-F216 VanDerWaalsContact C-N 3.32Å; H214-F216 PolarHBondContact O-N 3.36Å; F216-H218 VanDerWaalsContact C-N 3.35Å; F216-V219 PolarHBondContact O-N 3.29Å; F216-K220 HydrophobicContact CE1-CD 4.45Å; F216-K220 WeakPolarHBondContact O-CB 3.39Å; F216-K220 PolarHBondContact O-N 3.36Å; F216-M242 HydrophobicContact CB-CE 4.49Å
217C87.2Confident81.3Confident63 Ų6377 Ų7743%0.42640%0.396SS..Hα-helixtrans-61.6-42.2174.4-74.10000111.9S213 H214 K220 R221S213-C217 WeakPolarHBondContact O-CB 3.27Å; S213-C217 PolarHBondContact O-N 3.47Å; S213-C217 PolarHBondContact O-SG 2.05Å; H214-C217 PolarHBondContact O-N 3.5Å; C217-K220 PolarHBondContact O-N 2.79Å; C217-R221 WeakPolarHBondContact O-CB 3.37Å; C217-R221 VanDerWaalsContact O-CG 3.29Å; C217-R221 WeakPolarHBondContact O-CG 3.33Å; C217-R221 PolarHBondContact O-N 3.47Å
218H84.3Confident79.4Confident62 Ų6281.4 Ų81.429%0.28741%0.413SS..Hα-helixtrans-59.7-51.6177.2-177.3-84.4000111.7H214 I215 F216 K220 R221 Q222H214-H218 WeakPolarHBondContact O-CB 3.01Å; H214-H218 PolarHBondContact O-N 2.71Å; I215-H218 WeakPolarHBondContact O-CB 3.47Å; I215-H218 PolarHBondContact O-N 3.13Å; F216-H218 VanDerWaalsContact C-N 3.35Å; H218-K220 VanDerWaalsContact C-N 3.35Å; H218-K220 PolarHBondContact O-N 2.81Å; H218-R221 PolarHBondContact O-N 3.24Å; H218-Q222 PolarHBondContact CE1-OE1 3.24Å; H218-Q222 VanDerWaalsContact CE1-OE1 3.32Å; H218-Q222 PolarHBondContact O-N 3.42Å
219V79.3Confident77.7Confident16 Ų1689 Ų8910%0.09745%0.448CS..Hα-helixtrans-63.3-39.5-179.8173.60000111.8I137 I215 F216 Q222 G223 V238 I239 M242I137-V219 HydrophobicContact CG2-CG2 3.98Å; I215-V219 HydrophobicContact CG2-CG2 4.45Å; I215-V219 WeakPolarHBondContact O-CG2 3.41Å; I215-V219 PolarHBondContact O-N 2.93Å; F216-V219 PolarHBondContact O-N 3.29Å; V219-Q222 PolarHBondContact O-N 3.11Å; V219-G223 PolarHBondContact O-N 2.92Å; V219-V238 HydrophobicContact CG2-CG1 4.48Å; V219-I239 HydrophobicContact CG1-CD1 4.41Å; V219-I239 HydrophobicContact CG1-CG1 3.96Å; V219-M242 HydrophobicContact CB-SD 4.48Å; V219-M242 HydrophobicContact CG2-SD 3.79Å
220K81.1Confident76Confident119 Ų11991.8 Ų91.852%0.51747%0.468SS..Hα-helixtrans-66.3-37.1177.1-170.8177.2-179.3178.70112.3F216 C217 H218F216-K220 HydrophobicContact CE1-CD 4.45Å; F216-K220 WeakPolarHBondContact O-CB 3.39Å; F216-K220 PolarHBondContact O-N 3.36Å; C217-K220 PolarHBondContact O-N 2.79Å; H218-K220 VanDerWaalsContact C-N 3.35Å; H218-K220 PolarHBondContact O-N 2.81Å
221R81.6Confident74.5Confident183 Ų18392.1 Ų92.169%0.69146%0.464SS*.Hα-helixtrans-67.4-45.7175.5-75.6175.6178.5-178.70.1111.1C217 H218 G223 R224 H225C217-R221 WeakPolarHBondContact O-CB 3.37Å; C217-R221 VanDerWaalsContact O-CG 3.29Å; C217-R221 WeakPolarHBondContact O-CG 3.33Å; C217-R221 PolarHBondContact O-N 3.47Å; H218-R221 PolarHBondContact O-N 3.24Å; R221-G223 PolarHBondContact O-N 2.05Å; R221-R224 WeakPolarHBondContact O-CB 3.41Å; R221-R224 PolarHBondContact O-N 3.25Å; R221-R224 VanDerWaalsContact O-N 3.16Å; R221-H225 PolarHBondContact O-CD2 3.31Å
222Q76.2Confident73.4Confident75 Ų7595.5 Ų95.535%0.3548%0.479SS..Hα-helixtrans-66-37.6-180-168.1167.95.300113M140 H218 V219 R224 H225 T226M140-Q222 VanDerWaalsContact CE-CD 3.46Å; M140-Q222 VanDerWaalsContact CE-NE2 3.3Å; H218-Q222 PolarHBondContact CE1-OE1 3.24Å; H218-Q222 VanDerWaalsContact CE1-OE1 3.32Å; H218-Q222 PolarHBondContact O-N 3.42Å; V219-Q222 PolarHBondContact O-N 3.11Å; Q222-R224 PolarHBondContact O-N 3.03Å; Q222-H225 PolarHBondContact O-N 3.16Å; Q222-T226 PolarHBondContact O-N 2.86Å
223G70Confident72.6Confident32 Ų3298 Ų9833%0.3350%0.504SS..Hα-helixtrans-64.2-18174.100000115.1V219 R221V219-G223 PolarHBondContact O-N 2.92Å; R221-G223 PolarHBondContact O-N 2.05Å
224R67.9Low71.6Confident199 Ų199100 Ų10075%0.75150%0.5SS*.Hα-helixtrans-83.3-20173.3-75.9176.3158.8-178.5-7.8113.2R221 Q222R221-R224 WeakPolarHBondContact O-CB 3.41Å; R221-R224 PolarHBondContact O-N 3.25Å; R221-R224 VanDerWaalsContact O-N 3.16Å; Q222-R224 PolarHBondContact O-N 3.03Å
225H64.9Low70.8Confident169 Ų16997.8 Ų97.878%0.78249%0.49SS*.Hα-helixtrans-106.5-16.7-173.3-81.2-84.6000114.3R221 Q222R221-H225 PolarHBondContact O-CD2 3.31Å; Q222-H225 PolarHBondContact O-N 3.16Å
226T60.5Low70.3Confident61 Ų61102.1 Ų102.137%0.37451%0.51SS..  trans-104110.5-179.3-69.40000111.5Q222Q222-T226 PolarHBondContact O-N 2.86Å
227S60.7Low69.7Low115 Ų115100.2 Ų100.280%0.80451%0.509SS*.  trans-100.9111.5163.7-61.20000109.3
228Q55.3Low69.1Low157 Ų15798.9 Ų98.973%0.73450%0.499SS*.  trans178.8128157.7-103.4163.97.100110.2V230 S231Q228-V230 PolarHBondContact O-N 3.48Å; Q228-S231 WeakPolarHBondContact O-CB 3.36Å; Q228-S231 PolarHBondContact O-N 2.89Å
229H55.6Low68.6Low158 Ų15898.1 Ų98.173%0.73150%0.496SS*.Hα-helixtrans-49.7-27.1-174.7-104.7-93000116.4
230V56.2Low68.5Low133 Ų133100.6 Ų100.681%0.80651%0.509SS*.Hα-helixtrans-77.8-23.5179.5-175.10000111.9Q228Q228-V230 PolarHBondContact O-N 3.48Å
231S61.3Low68.2Low45 Ų4597.9 Ų97.932%0.31550%0.5SS..Hα-helixtrans-77.1-27.5174.9-173.50000112.4Q228 R234 Q235Q228-S231 WeakPolarHBondContact O-CB 3.36Å; Q228-S231 PolarHBondContact O-N 2.89Å; S231-R234 PolarHBondContact O-N 3.28Å; S231-Q235 WeakPolarHBondContact O-CB 3.39Å; S231-Q235 PolarHBondContact O-N 3.06Å
232E66.6Low67.9Low104 Ų10489.8 Ų89.849%0.48647%0.47SS..Hα-helixtrans-66.6-44.9-173-66.9-178.1176.400112.9R234 Q235 Q236E232-R234 PolarHBondContact O-N 2.87Å; E232-Q235 PolarHBondContact O-N 3.48Å; E232-Q236 WeakPolarHBondContact O-CB 3.44Å; E232-Q236 PolarHBondContact O-N 3.49Å
233A68.7Low68.1Low70 Ų7091.3 Ų91.358%0.57948%0.476SS*.Hα-helixtrans-63.6-41.6178.700000112.2Q236 T237A233-Q236 PolarHBondContact O-N 3.41Å; A233-T237 PolarHBondContact O-N 3.49Å; A233-T237 VanDerWaalsContact O-N 3.07Å; A233-T237 PolarHBondContact O-OG1 3.2Å
234R68.4Low68.7Low113 Ų11391 Ų9143%0.42647%0.468SS..Hα-helixtrans-66.3-43.7175.9-175.7177.2177179.8-0.4111.2M140 L142 S231 E232 Q236 T237 V238M140-R234 PolarHBondContact O-NH2 2.81Å; L142-R234 HydrophobicContact CD1-CG 3.93Å; S231-R234 PolarHBondContact O-N 3.28Å; E232-R234 PolarHBondContact O-N 2.87Å; R234-Q236 VanDerWaalsContact C-N 3.33Å; R234-Q236 PolarHBondContact O-N 2.96Å; R234-T237 WeakPolarHBondContact O-CB 3.02Å; R234-T237 PolarHBondContact O-N 2.96Å; R234-V238 PolarHBondContact O-N 2.98Å; R234-V238 VanDerWaalsContact O-N 3.08Å
235Q71.1Confident69.3Low51 Ų5182.4 Ų82.424%0.23844%0.436CS..Hα-helixtrans-63.5-39.2176.1-172.8176.2-2.700111.6S231 E232 T237 V238 I239S231-Q235 WeakPolarHBondContact O-CB 3.39Å; S231-Q235 PolarHBondContact O-N 3.06Å; E232-Q235 PolarHBondContact O-N 3.48Å; Q235-T237 VanDerWaalsContact C-N 3.31Å; Q235-T237 PolarHBondContact O-N 3.19Å; Q235-V238 PolarHBondContact O-N 3.42Å; Q235-I239 HydrophobicContact CG-CD1 3.97Å; Q235-I239 WeakPolarHBondContact O-CB 3.36Å; Q235-I239 VanDerWaalsContact O-CG1 3.26Å; Q235-I239 WeakPolarHBondContact O-CG1 3.23Å; Q235-I239 PolarHBondContact O-N 3.2Å
236Q74.7Confident70.2Confident91 Ų9176.8 Ų76.843%0.42542%0.416SS..Hα-helixtrans-64.5-36.5175.7-167.960.442.700112E232 A233 R234 I239 N240E232-Q236 WeakPolarHBondContact O-CB 3.44Å; E232-Q236 PolarHBondContact O-N 3.49Å; A233-Q236 PolarHBondContact O-N 3.41Å; R234-Q236 VanDerWaalsContact C-N 3.33Å; R234-Q236 PolarHBondContact O-N 2.96Å; Q236-I239 PolarHBondContact O-N 2.48Å; Q236-N240 PolarHBondContact NE2-OD1 2.93Å; Q236-N240 VanDerWaalsContact O-CB 3.29Å; Q236-N240 WeakPolarHBondContact O-CB 3.42Å; Q236-N240 PolarHBondContact O-N 2.92Å; Q236-N240 PolarHBondContact O-ND2 2.9Å; Q236-N240 PolarHBondContact O-OD1 3.32Å
237T72.9Confident71.4Confident88 Ų8877.3 Ų77.354%0.5442%0.415SS..Hα-helixtrans-64.9-45.2174.6-58.20000111A233 R234 Q235 N240 L241A233-T237 PolarHBondContact O-N 3.49Å; A233-T237 VanDerWaalsContact O-N 3.07Å; A233-T237 PolarHBondContact O-OG1 3.2Å; R234-T237 WeakPolarHBondContact O-CB 3.02Å; R234-T237 PolarHBondContact O-N 2.96Å; Q235-T237 VanDerWaalsContact C-N 3.31Å; Q235-T237 PolarHBondContact O-N 3.19Å; T237-N240 PolarHBondContact O-N 2.8Å; T237-L241 WeakPolarHBondContact O-CB 3.36Å; T237-L241 PolarHBondContact O-N 3Å
238V73.6Confident72.7Confident35 Ų3572.3 Ų72.321%0.21238%0.379CS..Hα-helixtrans-61.5-45.9175.2174.50000110.9I137 V219 R234 Q235 N240 L241 M242I137-V238 HydrophobicContact CD1-CG1 4.3Å; I137-V238 HydrophobicContact CG1-CG1 4.2Å; I137-V238 HydrophobicContact CG2-CG1 4.19Å; V219-V238 HydrophobicContact CG2-CG1 4.48Å; R234-V238 PolarHBondContact O-N 2.98Å; R234-V238 VanDerWaalsContact O-N 3.08Å; Q235-V238 PolarHBondContact O-N 3.42Å; V238-N240 PolarHBondContact O-N 3.28Å; V238-L241 PolarHBondContact O-N 3.09Å; V238-M242 HydrophobicContact CG1-CG 4.43Å; V238-M242 HydrophobicContact CG1-SD 4.27Å; V238-M242 WeakPolarHBondContact O-CB 3.44Å; V238-M242 VanDerWaalsContact O-CG 3.28Å; V238-M242 WeakPolarHBondContact O-CG 3.47Å; V238-M242 PolarHBondContact O-N 2.96Å
239I75.1Confident74.3Confident46 Ų4665 Ų6524%0.23635%0.346CS..Hα-helixtrans-61.3-42.9177.3-70.8167.4000111.4V219 Q235 Q236 M242 K243V219-I239 HydrophobicContact CG1-CD1 4.41Å; V219-I239 HydrophobicContact CG1-CG1 3.96Å; Q235-I239 HydrophobicContact CG-CD1 3.97Å; Q235-I239 WeakPolarHBondContact O-CB 3.36Å; Q235-I239 VanDerWaalsContact O-CG1 3.26Å; Q235-I239 WeakPolarHBondContact O-CG1 3.23Å; Q235-I239 PolarHBondContact O-N 3.2Å; Q236-I239 PolarHBondContact O-N 2.48Å; I239-M242 PolarHBondContact O-N 3.38Å; I239-K243 HydrophobicContact CG2-CD 4.32Å; I239-K243 WeakPolarHBondContact O-CG 3.2Å; I239-K243 PolarHBondContact O-N 2.9Å
240N77.1Confident76Confident69 Ų6958.7 Ų58.737%0.36932%0.323SS..Hα-helixtrans-65.5-41.9178.9-73.9-9.4000111.6Q236 T237 V238 K243 T244Q236-N240 PolarHBondContact NE2-OD1 2.93Å; Q236-N240 VanDerWaalsContact O-CB 3.29Å; Q236-N240 WeakPolarHBondContact O-CB 3.42Å; Q236-N240 PolarHBondContact O-N 2.92Å; Q236-N240 PolarHBondContact O-ND2 2.9Å; Q236-N240 PolarHBondContact O-OD1 3.32Å; T237-N240 PolarHBondContact O-N 2.8Å; V238-N240 PolarHBondContact O-N 3.28Å; N240-K243 PolarHBondContact O-N 2.98Å; N240-T244 PolarHBondContact O-N 3.48Å; N240-T244 VanDerWaalsContact O-N 3.13Å; N240-T244 PolarHBondContact O-OG1 3.5Å
241L73.4Confident77.8Confident62 Ų6253.4 Ų53.433%0.32529%0.293SS..Hα-helixtrans-61.9-46.1174.2-178.363.9000111.1T237 V238 K243 T244 I245T237-L241 WeakPolarHBondContact O-CB 3.36Å; T237-L241 PolarHBondContact O-N 3Å; V238-L241 PolarHBondContact O-N 3.09Å; L241-K243 PolarHBondContact O-N 3.49Å; L241-T244 WeakPolarHBondContact O-CB 3.46Å; L241-T244 PolarHBondContact O-N 3.1Å; L241-I245 HydrophobicContact CD1-CD1 4.04Å; L241-I245 HydrophobicContact CG-CD1 4.03Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.38Å; L241-I245 VanDerWaalsContact O-N 3.12Å
242M76.6Confident79.3Confident13 Ų1351.3 Ų51.36%0.06428%0.278CS..Hα-helixtrans-59.7-45.6176.5-73.3-172.478.300112I137 I215 F216 V219 V238 I239 T244 I245 S246I137-M242 HydrophobicContact CD1-CG 3.76Å; I137-M242 HydrophobicContact CD1-SD 4.02Å; I215-M242 HydrophobicContact CB-CE 3.51Å; I215-M242 HydrophobicContact CG2-CE 3.12Å; I215-M242 HydrophobicContact CG2-SD 3.75Å; F216-M242 HydrophobicContact CB-CE 4.49Å; V219-M242 HydrophobicContact CB-SD 4.48Å; V219-M242 HydrophobicContact CG2-SD 3.79Å; V238-M242 HydrophobicContact CG1-CG 4.43Å; V238-M242 HydrophobicContact CG1-SD 4.27Å; V238-M242 WeakPolarHBondContact O-CB 3.44Å; V238-M242 VanDerWaalsContact O-CG 3.28Å; V238-M242 WeakPolarHBondContact O-CG 3.47Å; V238-M242 PolarHBondContact O-N 2.96Å; I239-M242 PolarHBondContact O-N 3.38Å; M242-T244 VanDerWaalsContact C-N 3.31Å; M242-T244 PolarHBondContact O-N 2.88Å; M242-I245 PolarHBondContact O-N 3.42Å; M242-S246 WeakPolarHBondContact O-CB 3.44Å; M242-S246 PolarHBondContact O-N 3.21Å; M242-S246 PolarHBondContact O-OG 2.51Å; M242-S246 VanDerWaalsContact O-OG 3.05Å
243K80.5Confident80.6Confident107 Ų10747.5 Ų47.547%0.46526%0.262SS..Hα-helixtrans-55.9-45.8176-78.3177.8178.2179.20111.7I239 N240 L241 I245 S246 M247I239-K243 HydrophobicContact CG2-CD 4.32Å; I239-K243 WeakPolarHBondContact O-CG 3.2Å; I239-K243 PolarHBondContact O-N 2.9Å; N240-K243 PolarHBondContact O-N 2.98Å; L241-K243 PolarHBondContact O-N 3.49Å; K243-I245 PolarHBondContact O-N 3.3Å; K243-S246 PolarHBondContact O-N 3.26Å; K243-M247 VanDerWaalsContact O-CG 3.28Å; K243-M247 WeakPolarHBondContact O-CG 3.46Å; K243-M247 PolarHBondContact O-N 3.35Å
244T81.6Confident81.8Confident26 Ų2650 Ų5016%0.1627%0.265CS..Hα-helixtrans-57.9-48.6177.9-60.40000111.4N240 L241 M242 M247 V248 I296 R300N240-T244 PolarHBondContact O-N 3.48Å; N240-T244 VanDerWaalsContact O-N 3.13Å; N240-T244 PolarHBondContact O-OG1 3.5Å; L241-T244 WeakPolarHBondContact O-CB 3.46Å; L241-T244 PolarHBondContact O-N 3.1Å; M242-T244 VanDerWaalsContact C-N 3.31Å; M242-T244 PolarHBondContact O-N 2.88Å; T244-M247 PolarHBondContact O-N 3.32Å; T244-V248 WeakPolarHBondContact O-CG2 3.46Å; T244-V248 PolarHBondContact O-N 2.85Å; T244-V248 VanDerWaalsContact O-N 3.13Å; T244-I296 HydrophobicContact CG2-CG2 3.54Å; T244-R300 HydrophobicContact CG2-CB 4.3Å; T244-R300 HydrophobicContact CG2-CG 4.19Å
245I80.8Confident83.1Confident17 Ų1745.4 Ų45.49%0.08725%0.249CC..Hα-helixtrans-74.5-34.6-175.9-54.8170.1000111.7V129 R133 Y212 L241 M242 K243 M247 V248 L249V129-I245 HydrophobicContact CG1-CG2 4.2Å; R133-I245 VanDerWaalsContact CD-CD1 3.42Å; R133-I245 HydrophobicContact CG-CD1 3.58Å; Y212-I245 HydrophobicContact CE1-CB 4.29Å; Y212-I245 HydrophobicContact CE1-CG2 3.92Å; Y212-I245 WeakPolarHBondContact OH-CG2 3.25Å; L241-I245 HydrophobicContact CD1-CD1 4.04Å; L241-I245 HydrophobicContact CG-CD1 4.03Å; L241-I245 WeakPolarHBondContact O-CG1 3.46Å; L241-I245 PolarHBondContact O-N 3.38Å; L241-I245 VanDerWaalsContact O-N 3.12Å; M242-I245 PolarHBondContact O-N 3.42Å; K243-I245 PolarHBondContact O-N 3.3Å; I245-M247 VanDerWaalsContact C-N 3.33Å; I245-M247 PolarHBondContact O-N 3.08Å; I245-V248 PolarHBondContact O-N 3.11Å; I245-L249 WeakPolarHBondContact O-CB 3.27Å; I245-L249 PolarHBondContact O-N 2.93Å
246S84.2Confident84.3Confident51 Ų5143.9 Ų43.936%0.35724%0.242SC..Hα-helixtrans-64.8-34.9172.7-63.20000112.5M242 K243 G250M242-S246 WeakPolarHBondContact O-CB 3.44Å; M242-S246 PolarHBondContact O-N 3.21Å; M242-S246 PolarHBondContact O-OG 2.51Å; M242-S246 VanDerWaalsContact O-OG 3.05Å; K243-S246 PolarHBondContact O-N 3.26Å; S246-G250 WeakPolarHBondContact O-CA 3.42Å; S246-G250 PolarHBondContact O-N 3.33Å
247M85.5Confident85.3Confident73 Ų7341.3 Ų41.336%0.3623%0.232SC..Hα-helixtrans-65.8-45.1172.1-71.6-177.6-55.100111.3K243 T244 I245 G250 A251 I296 R300K243-M247 VanDerWaalsContact O-CG 3.28Å; K243-M247 WeakPolarHBondContact O-CG 3.46Å; K243-M247 PolarHBondContact O-N 3.35Å; T244-M247 PolarHBondContact O-N 3.32Å; I245-M247 VanDerWaalsContact C-N 3.33Å; I245-M247 PolarHBondContact O-N 3.08Å; M247-G250 PolarHBondContact O-N 3.49Å; M247-A251 WeakPolarHBondContact O-CB 3.42Å; M247-A251 PolarHBondContact O-N 3.46Å; M247-I296 HydrophobicContact CB-CD1 4.01Å; M247-I296 HydrophobicContact CE-CG2 4.44Å; M247-R300 HydrophobicContact CE-CG 4.26Å; M247-R300 VanDerWaalsContact CE-NE 3.25Å; M247-R300 PolarHBondContact SD-NH2 2.9Å; M247-R300 VanDerWaalsContact SD-NH2 3.42Å
248V88Confident86.4Confident9 Ų939.4 Ų39.46%0.05522%0.221CC..Hα-helixtrans-57.7-52.7176.2169.60000110.5M78 L126 T244 I245 A251 F252 N293 I296M78-V248 HydrophobicContact CE-CG1 3.59Å; M78-V248 HydrophobicContact SD-CG1 4.39Å; L126-V248 HydrophobicContact CD2-CG1 3.83Å; T244-V248 WeakPolarHBondContact O-CG2 3.46Å; T244-V248 PolarHBondContact O-N 2.85Å; T244-V248 VanDerWaalsContact O-N 3.13Å; I245-V248 PolarHBondContact O-N 3.11Å; V248-A251 PolarHBondContact O-N 3.39Å; V248-F252 PolarHBondContact O-N 3.23Å; V248-N293 WeakPolarHBondContact CG1-OD1 3.3Å; V248-I296 HydrophobicContact CB-CD1 4.28Å; V248-I296 HydrophobicContact CG2-CB 4.43Å; V248-I296 HydrophobicContact CG2-CD1 3.48Å; V248-I296 VanDerWaalsContact CG2-CD1 3.48Å; V248-I296 HydrophobicContact CG2-CG2 4.05Å
249L89.6Confident87.4Confident5 Ų538.5 Ų38.53%0.02622%0.219CC..Hα-helixtrans-63.7-44-179.918068.6000111.9M208 L209 Y212 I245 A251 F252 V253M208-L249 HydrophobicContact CB-CD1 3.89Å; M208-L249 HydrophobicContact CB-CD2 3.99Å; M208-L249 HydrophobicContact CE-CD1 3.82Å; M208-L249 HydrophobicContact CG-CD1 4.4Å; M208-L249 HydrophobicContact SD-CD1 3.68Å; L209-L249 HydrophobicContact CD2-CD2 4.19Å; Y212-L249 HydrophobicContact CD2-CD2 3.22Å; Y212-L249 HydrophobicContact CE2-CD2 3.57Å; Y212-L249 HydrophobicContact CG-CD2 4.07Å; I245-L249 WeakPolarHBondContact O-CB 3.27Å; I245-L249 PolarHBondContact O-N 2.93Å; L249-A251 PolarHBondContact O-N 3.24Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 3.35Å; L249-V253 HydrophobicContact CD1-CG2 4.46Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 2.88Å
250G91.4Very high88.4Confident24 Ų2436.4 Ų36.425%0.24721%0.208CC..Hα-helixtrans-61.6-44.6179.800000111.9S246 M247 F252 V253 I254S246-G250 WeakPolarHBondContact O-CA 3.42Å; S246-G250 PolarHBondContact O-N 3.33Å; M247-G250 PolarHBondContact O-N 3.49Å; G250-F252 VanDerWaalsContact C-N 3.33Å; G250-F252 PolarHBondContact O-N 3.3Å; G250-V253 PolarHBondContact O-N 3.09Å; G250-I254 WeakPolarHBondContact O-CB 3.44Å; G250-I254 WeakPolarHBondContact O-CD1 3.34Å; G250-I254 WeakPolarHBondContact O-CG1 3.24Å; G250-I254 PolarHBondContact O-N 3.07Å
251A92.4Very high89.3Confident22 Ų2236.9 Ų36.918%0.18221%0.21CC..Hα-helixtrans-61.3-42.8174.500000111.7M247 V248 L249 V253 I254 C255 V292M247-A251 WeakPolarHBondContact O-CB 3.42Å; M247-A251 PolarHBondContact O-N 3.46Å; V248-A251 PolarHBondContact O-N 3.39Å; L249-A251 PolarHBondContact O-N 3.24Å; A251-V253 PolarHBondContact O-N 3.06Å; A251-I254 PolarHBondContact O-N 3.45Å; A251-C255 VanDerWaalsContact O-CB 3.31Å; A251-C255 WeakPolarHBondContact O-CB 3.49Å; A251-C255 PolarHBondContact O-N 3.47Å; A251-C255 PolarHBondContact O-SG 3.02Å; A251-C255 VanDerWaalsContact O-SG 3.38Å; A251-V292 HydrophobicContact CB-CB 4.39Å; A251-V292 HydrophobicContact CB-CG1 3.69Å; A251-V292 HydrophobicContact CB-CG2 4.24Å
252F93Very high90.3Very high2 Ų234.6 Ų34.61%0.00920%0.199CC..Hα-helixtrans-56.9-50.8175.6-165.8-85.2000112.3L119 V123 L126 F205 V248 L249 G250 I254 C255 W256 N289L119-F252 HydrophobicContact CD1-CE1 4.38Å; L119-F252 HydrophobicContact CD1-CZ 3.86Å; V123-F252 HydrophobicContact CG2-CE1 3.57Å; V123-F252 HydrophobicContact CG2-CZ 3.58Å; L126-F252 HydrophobicContact CD1-CB 3.83Å; L126-F252 HydrophobicContact CD1-CD1 3.82Å; L126-F252 HydrophobicContact CD1-CD2 3.36Å; L126-F252 HydrophobicContact CD1-CE1 4.23Å; L126-F252 HydrophobicContact CD1-CE2 3.83Å; L126-F252 HydrophobicContact CD1-CG 3.36Å; L126-F252 HydrophobicContact CD1-CZ 4.24Å; F205-F252 HydrophobicContact CD1-CE1 4.49Å; F205-F252 AromaticContact CE1-CD1 3.81Å; F205-F252 HydrophobicContact CE1-CD1 3.81Å; F205-F252 AromaticContact CE1-CE1 3.42Å; F205-F252 HydrophobicContact CE1-CE1 3.42Å; F205-F252 VanDerWaalsContact CE1-CE1 3.42Å; F205-F252 AromaticContact CZ-CD1 3.79Å; F205-F252 HydrophobicContact CZ-CD1 3.79Å; F205-F252 AromaticContact CZ-CE1 3.45Å; F205-F252 HydrophobicContact CZ-CE1 3.45Å; F205-F252 VanDerWaalsContact CZ-CE1 3.45Å; V248-F252 PolarHBondContact O-N 3.23Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 3.35Å; G250-F252 VanDerWaalsContact C-N 3.33Å; G250-F252 PolarHBondContact O-N 3.3Å; F252-I254 PolarHBondContact O-N 3.47Å; F252-C255 PolarHBondContact O-N 2.91Å; F252-W256 AromaticContact CD1-CD1 3.85Å; F252-W256 AromaticContact CD2-CD1 3.86Å; F252-W256 AromaticContact CD2-NE1 3.97Å; F252-W256 AromaticContact CE1-CD1 3.64Å; F252-W256 HydrophobicContact CE1-CG 4.14Å; F252-W256 AromaticContact CE2-CD1 3.66Å; F252-W256 AromaticContact CE2-NE1 3.48Å; F252-W256 AromaticContact CG-CD1 3.95Å; F252-W256 AromaticContact CZ-CD1 3.55Å; F252-W256 HydrophobicContact CZ-CG 4.23Å; F252-W256 AromaticContact CZ-NE1 3.61Å; F252-W256 WeakPolarHBondContact O-CB 3.35Å; F252-W256 VanDerWaalsContact O-CD1 3.31Å; F252-W256 PolarHBondContact O-N 3.08Å; F252-N289 WeakPolarHBondContact CA-OD1 3.37Å; F252-N289 WeakPolarHBondContact CD2-ND2 3.29Å; F252-N289 PolarHBondContact N-OD1 3.13Å
253V94.1Very high91.2Very high23 Ų2335.6 Ų35.614%0.13920%0.204CC..Hα-helixtrans-61.3-46.7178.8172.90000110.7F205 L209 L249 G250 A251 C255 T257F205-V253 HydrophobicContact CB-CG2 4.11Å; F205-V253 HydrophobicContact CD2-CB 4.4Å; F205-V253 HydrophobicContact CD2-CG1 4.24Å; F205-V253 HydrophobicContact CD2-CG2 4.06Å; F205-V253 HydrophobicContact CG-CG2 4.03Å; L209-V253 HydrophobicContact CD1-CG1 4.44Å; L209-V253 HydrophobicContact CD1-CG2 4.49Å; L249-V253 HydrophobicContact CD1-CG2 4.46Å; L249-V253 WeakPolarHBondContact O-CG2 3.33Å; L249-V253 PolarHBondContact O-N 2.88Å; G250-V253 PolarHBondContact O-N 3.09Å; A251-V253 PolarHBondContact O-N 3.06Å; V253-C255 VanDerWaalsContact C-N 3.33Å; V253-C255 PolarHBondContact O-N 3.28Å; V253-T257 WeakPolarHBondContact O-CB 3.31Å; V253-T257 PolarHBondContact O-N 3.28Å; V253-T257 PolarHBondContact O-OG1 3.28Å
254I94.6Very high92Very high124 Ų12432.2 Ų32.264%0.63619%0.191SC*.Hα-helixtrans-62.3-41.9-179.1-70.2165.2000111.2G250 A251 F252 P258G250-I254 WeakPolarHBondContact O-CB 3.44Å; G250-I254 WeakPolarHBondContact O-CD1 3.34Å; G250-I254 WeakPolarHBondContact O-CG1 3.24Å; G250-I254 PolarHBondContact O-N 3.07Å; A251-I254 PolarHBondContact O-N 3.45Å; F252-I254 PolarHBondContact O-N 3.47Å; I254-P258 WeakPolarHBondContact O-CD 3.48Å
255C95.1Very high92.6Very high16 Ų1634.4 Ų34.411%0.10820%0.201CC..Hα-helixtrans-72.9-39.4-176.9-76.50000113.1A251 F252 V253 I285 N289A251-C255 VanDerWaalsContact O-CB 3.31Å; A251-C255 WeakPolarHBondContact O-CB 3.49Å; A251-C255 PolarHBondContact O-N 3.47Å; A251-C255 PolarHBondContact O-SG 3.02Å; A251-C255 VanDerWaalsContact O-SG 3.38Å; F252-C255 PolarHBondContact O-N 2.91Å; V253-C255 VanDerWaalsContact C-N 3.33Å; V253-C255 PolarHBondContact O-N 3.28Å; C255-I285 HydrophobicContact CB-CG2 4.16Å; C255-I285 WeakPolarHBondContact CB-O 3.08Å; C255-I285 WeakPolarHBondContact O-CG2 3.27Å; C255-I285 PolarHBondContact SG-O 3.04Å; C255-N289 HydrophobicContact CB-CB 3.73Å
256W95.3Very high93.2Very high19 Ų1933.6 Ų33.67%0.07220%0.197CC..Hα-helixtrans-90.7-30-173.7-76.299.5000114.2Y89 L119 F205 F252 G259 L260 A286Y89-W256 WeakPolarHBondContact OH-CH2 3.43Å; L119-W256 HydrophobicContact CB-CH2 4.03Å; L119-W256 HydrophobicContact CB-CZ2 4.48Å; L119-W256 HydrophobicContact CB-CZ3 4.27Å; L119-W256 HydrophobicContact CD1-CD2 3.59Å; L119-W256 HydrophobicContact CD1-CE3 3.65Å; L119-W256 HydrophobicContact CD1-CG 4.2Å; L119-W256 HydrophobicContact CD1-CH2 3.93Å; L119-W256 HydrophobicContact CD1-CZ2 3.89Å; L119-W256 HydrophobicContact CD1-CZ3 3.82Å; L119-W256 HydrophobicContact CD2-CE3 3.95Å; L119-W256 HydrophobicContact CD2-CH2 4.37Å; L119-W256 HydrophobicContact CD2-CZ3 3.76Å; L119-W256 HydrophobicContact CG-CE3 4.36Å; L119-W256 HydrophobicContact CG-CH2 4.33Å; L119-W256 HydrophobicContact CG-CZ3 4.16Å; F205-W256 HydrophobicContact CE2-CB 3.89Å; F205-W256 HydrophobicContact CZ-CB 3.81Å; F252-W256 AromaticContact CD1-CD1 3.85Å; F252-W256 AromaticContact CD2-CD1 3.86Å; F252-W256 AromaticContact CD2-NE1 3.97Å; F252-W256 AromaticContact CE1-CD1 3.64Å; F252-W256 HydrophobicContact CE1-CG 4.14Å; F252-W256 AromaticContact CE2-CD1 3.66Å; F252-W256 AromaticContact CE2-NE1 3.48Å; F252-W256 AromaticContact CG-CD1 3.95Å; F252-W256 AromaticContact CZ-CD1 3.55Å; F252-W256 HydrophobicContact CZ-CG 4.23Å; F252-W256 AromaticContact CZ-NE1 3.61Å; F252-W256 WeakPolarHBondContact O-CB 3.35Å; F252-W256 VanDerWaalsContact O-CD1 3.31Å; F252-W256 PolarHBondContact O-N 3.08Å; W256-G259 PolarHBondContact O-N 3.39Å; W256-G259 VanDerWaalsContact O-N 3.14Å; W256-L260 WeakPolarHBondContact O-CG 3.35Å; W256-L260 PolarHBondContact O-N 3.05Å; W256-A286 HydrophobicContact CD2-CB 3.89Å; W256-A286 HydrophobicContact CE3-CB 3.79Å; W256-A286 HydrophobicContact CH2-CB 3.97Å; W256-A286 HydrophobicContact CZ2-CB 4.05Å; W256-A286 HydrophobicContact CZ3-CB 3.84Å
257T95.8Very high93.7Very high36 Ų3631.4 Ų31.422%0.22118%0.182CC..Hα-helixtrans-55.8-44.3-176.7-620000113.4L202 V253 G259 L260 I261L202-T257 HydrophobicContact CD2-CG2 4.27Å; V253-T257 WeakPolarHBondContact O-CB 3.31Å; V253-T257 PolarHBondContact O-N 3.28Å; V253-T257 PolarHBondContact O-OG1 3.28Å; T257-G259 VanDerWaalsContact C-N 3.32Å; T257-G259 PolarHBondContact O-N 3.24Å; T257-L260 PolarHBondContact O-N 3.3Å; T257-I261 HydrophobicContact CG2-CD1 3.67Å; T257-I261 HydrophobicContact CG2-CG1 4.16Å; T257-I261 VanDerWaalsContact O-CG1 3.31Å; T257-I261 WeakPolarHBondContact O-CG1 3.49Å; T257-I261 PolarHBondContact O-N 3.22Å
258P96.1Very high94Very high48 Ų4833.4 Ų33.431%0.31219%0.194SC..Hα-helixtrans-57.7-42.8177.3-2534.8000112.9I254 I261 V262I254-P258 WeakPolarHBondContact O-CD 3.48Å; P258-I261 PolarHBondContact O-N 2.91Å; P258-V262 WeakPolarHBondContact O-CG2 3.34Å; P258-V262 PolarHBondContact O-N 2.7Å
259G95.1Very high94.2Very high16 Ų1637.4 Ų37.417%0.16521%0.212CC..Hα-helixtrans-64.7-44.717700000112.5W256 T257 I261 V262 L263W256-G259 PolarHBondContact O-N 3.39Å; W256-G259 VanDerWaalsContact O-N 3.14Å; T257-G259 VanDerWaalsContact C-N 3.32Å; T257-G259 PolarHBondContact O-N 3.24Å; G259-I261 VanDerWaalsContact C-N 3.32Å; G259-I261 PolarHBondContact O-N 3.08Å; G259-V262 PolarHBondContact O-N 3.37Å; G259-L263 WeakPolarHBondContact O-CG 3.23Å; G259-L263 PolarHBondContact O-N 2.98Å
260L96.1Very high94.1Very high2 Ų237.2 Ų37.21%0.0121%0.211CC..Hα-helixtrans-63-37.6176.8-64.6173.8000112.1N201 L202 F205 W256 T257 L263 L264N201-L260 HydrophobicContact CB-CD1 3.72Å; N201-L260 HydrophobicContact CB-CD2 3.92Å; L202-L260 HydrophobicContact CD2-CB 4.19Å; L202-L260 HydrophobicContact CD2-CD1 4.01Å; L202-L260 HydrophobicContact CG-CB 4.21Å; L202-L260 HydrophobicContact CG-CD1 4.13Å; F205-L260 HydrophobicContact CD2-CD1 4.27Å; F205-L260 HydrophobicContact CE2-CD1 3.51Å; F205-L260 HydrophobicContact CZ-CD1 3.77Å; W256-L260 WeakPolarHBondContact O-CG 3.35Å; W256-L260 PolarHBondContact O-N 3.05Å; T257-L260 PolarHBondContact O-N 3.3Å; L260-L263 PolarHBondContact O-N 2.87Å; L260-L264 WeakPolarHBondContact O-CB 3.35Å; L260-L264 PolarHBondContact O-N 2.9Å
261I95.6Very high93.8Very high80 Ų8040.6 Ų40.641%0.4122%0.219SC..Hα-helixtrans-65.3-42.4174.2-69.1172.1000110.7T257 P258 G259 L263 L264 L265T257-I261 HydrophobicContact CG2-CD1 3.67Å; T257-I261 HydrophobicContact CG2-CG1 4.16Å; T257-I261 VanDerWaalsContact O-CG1 3.31Å; T257-I261 WeakPolarHBondContact O-CG1 3.49Å; T257-I261 PolarHBondContact O-N 3.22Å; P258-I261 PolarHBondContact O-N 2.91Å; G259-I261 VanDerWaalsContact C-N 3.32Å; G259-I261 PolarHBondContact O-N 3.08Å; I261-L263 VanDerWaalsContact C-N 3.34Å; I261-L263 PolarHBondContact O-N 3.24Å; I261-L264 PolarHBondContact O-N 3.23Å; I261-L265 HydrophobicContact CG2-CD1 3.96Å; I261-L265 HydrophobicContact CG2-CG 4.26Å; I261-L265 WeakPolarHBondContact O-CB 3.47Å; I261-L265 VanDerWaalsContact O-CG 3.3Å; I261-L265 WeakPolarHBondContact O-CG 3.46Å; I261-L265 PolarHBondContact O-N 3.37Å
262V95.5Very high93.4Very high14 Ų1446.9 Ų46.99%0.08525%0.25CC..Hα-helixtrans-60.9-42.7175.7168.30000111.3V185 P258 G259 L265 D266 A275V185-V262 HydrophobicContact CG2-CG1 4.35Å; P258-V262 WeakPolarHBondContact O-CG2 3.34Å; P258-V262 PolarHBondContact O-N 2.7Å; G259-V262 PolarHBondContact O-N 3.37Å; V262-L265 PolarHBondContact O-N 3.44Å; V262-D266 WeakPolarHBondContact O-CB 3.34Å; V262-D266 PolarHBondContact O-N 2.91Å; V262-A275 HydrophobicContact CG1-CB 3.94Å
263L95.4Very high93Very high34 Ų3447.3 Ų47.318%0.17826%0.255CS..Hα-helixtrans-64.2-40175.3-66.4178.9000112.3V185 L194 A198 G259 L260 I261 D266 G267V185-L263 HydrophobicContact CG1-CD2 3.92Å; L194-L263 HydrophobicContact CD1-CD2 4.32Å; L194-L263 HydrophobicContact CD2-CD2 4.23Å; A198-L263 HydrophobicContact CB-CB 4.44Å; G259-L263 WeakPolarHBondContact O-CG 3.23Å; G259-L263 PolarHBondContact O-N 2.98Å; L260-L263 PolarHBondContact O-N 2.87Å; I261-L263 VanDerWaalsContact C-N 3.34Å; I261-L263 PolarHBondContact O-N 3.24Å; L263-D266 PolarHBondContact O-N 3.33Å; L263-G267 PolarHBondContact O-N 3.11Å
264L95.7Very high92.6Very high36 Ų3652.2 Ų52.219%0.18828%0.28CS..Hα-helixtrans-64.8-44.7176.3-175.862.9000111.5I195 A198 L199 L202 L260 I261 G267 L268I195-L264 HydrophobicContact CG1-CD1 4.48Å; I195-L264 HydrophobicContact CG2-CD1 4.05Å; A198-L264 HydrophobicContact CB-CB 4.14Å; L199-L264 HydrophobicContact CD2-CD1 4.16Å; L199-L264 HydrophobicContact CD2-CD2 4.38Å; L199-L264 HydrophobicContact CG-CD1 4.2Å; L202-L264 HydrophobicContact CD1-CD2 4.49Å; L260-L264 WeakPolarHBondContact O-CB 3.35Å; L260-L264 PolarHBondContact O-N 2.9Å; I261-L264 PolarHBondContact O-N 3.23Å; L264-G267 PolarHBondContact O-N 2.94Å; L264-L268 HydrophobicContact CD1-CD1 4.13Å; L264-L268 HydrophobicContact CD1-CG 4.38Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CB 3.3Å; L264-L268 VanDerWaalsContact O-CG 3.26Å; L264-L268 WeakPolarHBondContact O-CG 3.24Å; L264-L268 PolarHBondContact O-N 2.89Å
265L94.5Very high92.3Very high71 Ų7146.6 Ų46.637%0.37225%0.252SS..Hα-helixtrans-63.5-41.8176.4-71.5173.8000111.8I261 V262 L268 Q269I261-L265 HydrophobicContact CG2-CD1 3.96Å; I261-L265 HydrophobicContact CG2-CG 4.26Å; I261-L265 WeakPolarHBondContact O-CB 3.47Å; I261-L265 VanDerWaalsContact O-CG 3.3Å; I261-L265 WeakPolarHBondContact O-CG 3.46Å; I261-L265 PolarHBondContact O-N 3.37Å; V262-L265 PolarHBondContact O-N 3.44Å; L265-L268 PolarHBondContact O-N 3.42Å; L265-Q269 VanDerWaalsContact O-CB 3.28Å; L265-Q269 WeakPolarHBondContact O-CB 3.25Å; L265-Q269 WeakPolarHBondContact O-CG 3.44Å; L265-Q269 PolarHBondContact O-N 3.46Å
266D94.6Very high91.8Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-60.8-45.8174.6178.467.8000111.9S183 T184 V185 V262 L263 L268 G270 A275S183-D266 VanDerWaalsContact CB-OD2 3.23Å; S183-D266 WeakPolarHBondContact CB-OD2 3.44Å; S183-D266 PolarHBondContact OG-OD2 2.87Å; T184-D266 WeakPolarHBondContact CA-OD1 3.43Å; T184-D266 VanDerWaalsContact CB-OD1 3.27Å; T184-D266 WeakPolarHBondContact CB-OD1 3.4Å; T184-D266 PolarHBondContact N-OD1 2.85Å; T184-D266 PolarHBondContact N-OD2 3.29Å; T184-D266 PolarHBondContact OG1-OD1 3.43Å; V185-D266 HydrophobicContact CB-CB 4.43Å; V185-D266 HydrophobicContact CG2-CB 3.82Å; V185-D266 PolarHBondContact N-OD1 2.95Å; V262-D266 WeakPolarHBondContact O-CB 3.34Å; V262-D266 PolarHBondContact O-N 2.91Å; L263-D266 PolarHBondContact O-N 3.33Å; D266-L268 PolarHBondContact O-N 2.87Å; D266-G270 WeakPolarHBondContact O-CA 3.36Å; D266-G270 PolarHBondContact O-N 2.98Å; D266-A275 HydrophobicContact CB-CB 3.69Å
267G93.5Very high91.4Very high5 Ų553.2 Ų53.25%0.05228%0.282CS..Hα-helixtrans-60.6-4417700000112.9L263 L264L263-G267 PolarHBondContact O-N 3.11Å; L264-G267 PolarHBondContact O-N 2.94Å
268L93.6Very high91Very high115 Ų11557.2 Ų57.260%0.60229%0.294SS*.Hα-helixtrans-76.8-39.9-176.7-67.5172.7000113.5I195 L264 L265 D266I195-L268 HydrophobicContact CD1-CD2 4.03Å; I195-L268 HydrophobicContact CD1-CG 4.47Å; L264-L268 HydrophobicContact CD1-CD1 4.13Å; L264-L268 HydrophobicContact CD1-CG 4.38Å; L264-L268 HydrophobicContact CG-CD1 3.99Å; L264-L268 WeakPolarHBondContact O-CB 3.3Å; L264-L268 VanDerWaalsContact O-CG 3.26Å; L264-L268 WeakPolarHBondContact O-CG 3.24Å; L264-L268 PolarHBondContact O-N 2.89Å; L265-L268 PolarHBondContact O-N 3.42Å; D266-L268 PolarHBondContact O-N 2.87Å
269Q91.1Very high90.6Very high94 Ų9456.3 Ų56.344%0.43929%0.286SS..Hα-helixtrans-99.7-21.2-172.6-59.6179.5-7.100113L265 K271 N272L265-Q269 VanDerWaalsContact O-CB 3.28Å; L265-Q269 WeakPolarHBondContact O-CB 3.25Å; L265-Q269 WeakPolarHBondContact O-CG 3.44Å; L265-Q269 PolarHBondContact O-N 3.46Å; Q269-K271 PolarHBondContact O-N 3.14Å; Q269-N272 WeakPolarHBondContact O-CB 3.4Å; Q269-N272 PolarHBondContact O-N 3.29Å; Q269-N272 VanDerWaalsContact O-N 3.17Å
270G87.4Confident90.2Very high1 Ų158.5 Ų58.51%0.0129%0.29CS..G310 helixtrans50.3-133-174.900000112.2T184 D266 N272 G273T184-G270 VanDerWaalsContact CG2-C 3.49Å; D266-G270 WeakPolarHBondContact O-CA 3.36Å; D266-G270 PolarHBondContact O-N 2.98Å; G270-N272 PolarHBondContact O-N 3.4Å; G270-N272 VanDerWaalsContact O-N 3.11Å; G270-G273 PolarHBondContact O-N 3.07Å; G270-G273 VanDerWaalsContact O-N 3.08Å
271K85.6Confident89.8Confident95 Ų9565.7 Ų65.741%0.41332%0.319SS..G310 helixtrans-61-18.2-178.8-64.6-178.9-176.6-174.60114.9H23 T184 Q269 G273H23-K271 PolarHBondContact CE1-NZ 3.33Å; H23-K271 WeakPolarHBondContact O-CE 3.22Å; H23-K271 PolarHBondContact O-NZ 3.42Å; T184-K271 HydrophobicContact CG2-CB 4.48Å; T184-K271 HydrophobicContact CG2-CG 4.04Å; Q269-K271 PolarHBondContact O-N 3.14Å; K271-G273 VanDerWaalsContact C-N 3.32Å
272N83.9Confident89.6Confident153 Ų15362.5 Ų62.582%0.81830%0.303SS*.G310 helixtrans-82.6-13.1179.3-61.8-25.1000112.4Q269 G270Q269-N272 WeakPolarHBondContact O-CB 3.4Å; Q269-N272 PolarHBondContact O-N 3.29Å; Q269-N272 VanDerWaalsContact O-N 3.17Å; G270-N272 PolarHBondContact O-N 3.4Å; G270-N272 VanDerWaalsContact O-N 3.11Å
273G84.2Confident89.4Confident12 Ų1265.1 Ų65.112%0.12432%0.316CS..SBendtrans-90.4165.1-17900000113.8G270 K271G270-G273 PolarHBondContact O-N 3.07Å; G270-G273 VanDerWaalsContact O-N 3.08Å; K271-G273 VanDerWaalsContact C-N 3.32Å
274N85.7Confident89.2Confident125 Ų12565.6 Ų65.667%0.66832%0.321SS*.  trans-104.723.8177-71.9-40.2000113.1N276 K277N274-N276 VanDerWaalsContact C-N 3.31Å; N274-N276 PolarHBondContact O-N 3.38Å; N274-K277 VanDerWaalsContact O-CB 3.29Å; N274-K277 WeakPolarHBondContact O-CB 3.45Å; N274-K277 PolarHBondContact O-N 3.47Å
275A87.6Confident89Confident6 Ų667.3 Ų67.35%0.0533%0.33CS..G310 helixtrans-56.3-41.6-173.600000113.2V185 V262 D266 K277 Y278 E279V185-A275 HydrophobicContact CG2-CB 3.79Å; V262-A275 HydrophobicContact CG1-CB 3.94Å; D266-A275 HydrophobicContact CB-CB 3.69Å; A275-K277 PolarHBondContact O-N 2.69Å; A275-Y278 PolarHBondContact O-N 2.84Å; A275-Y278 VanDerWaalsContact O-N 3.07Å; A275-E279 PolarHBondContact O-N 2.94Å
276N85.2Confident88.9Confident47 Ų4764.1 Ų64.125%0.25131%0.313SS..G310 helixtrans-55-25176.8-76.8-28.8000114.6K26 T184 V185 N274 Y278 E279K26-N276 PolarHBondContact NZ-OD1 3.42Å; T184-N276 VanDerWaalsContact C-OD1 3.28Å; T184-N276 WeakPolarHBondContact CB-ND2 3.49Å; T184-N276 PolarHBondContact O-ND2 3.32Å; T184-N276 PolarHBondContact O-OD1 3.2Å; T184-N276 VanDerWaalsContact O-OD1 3.06Å; T184-N276 PolarHBondContact OG1-ND2 3.3Å; V185-N276 VanDerWaalsContact CA-OD1 3.24Å; V185-N276 WeakPolarHBondContact CA-OD1 3.48Å; V185-N276 PolarHBondContact N-OD1 3.01Å; N274-N276 VanDerWaalsContact C-N 3.31Å; N274-N276 PolarHBondContact O-N 3.38Å; N276-Y278 VanDerWaalsContact C-N 3.3Å; N276-Y278 PolarHBondContact O-N 2.74Å; N276-E279 PolarHBondContact OD1-OE2 3.34Å
277K86.3Confident88.9Confident128 Ų12864.2 Ų64.256%0.55731%0.314SS*.G310 helixtrans-67.8-32.4180-173.3177.3177.7-177.90112.1N274 A275N274-K277 VanDerWaalsContact O-CB 3.29Å; N274-K277 WeakPolarHBondContact O-CB 3.45Å; N274-K277 PolarHBondContact O-N 3.47Å; A275-K277 PolarHBondContact O-N 2.69Å
278Y87.6Confident88.8Confident120 Ų12066.3 Ų66.347%0.47133%0.327SS..THydrogen-bonded Turntrans-105.5-11.1-170.4-58.2-74.8000113.6A275 N276 K280 Y281 C282A275-Y278 PolarHBondContact O-N 2.84Å; A275-Y278 VanDerWaalsContact O-N 3.07Å; N276-Y278 VanDerWaalsContact C-N 3.3Å; N276-Y278 PolarHBondContact O-N 2.74Å; Y278-K280 PolarHBondContact O-N 2.94Å; Y278-Y281 PolarHBondContact O-N 2.84Å; Y278-C282 PolarHBondContact O-N 3.24Å; Y278-C282 VanDerWaalsContact O-N 3.08Å; Y278-C282 PolarHBondContact O-SG 3.47Å
279E88Confident88.8Confident29 Ų2960.9 Ų60.914%0.13630%0.299CS..Hα-helixtrans-54-47.4-173.576.6-176-176.800113K26 V185 A275 N276 Y281 C282 L283K26-E279 VanDerWaalsContact CE-OE1 3.26Å; K26-E279 WeakPolarHBondContact CE-OE1 3.2Å; K26-E279 IonicContact NZ-OE1 2.74Å; K26-E279 PolarHBondContact NZ-OE1 2.85Å; K26-E279 IonicContact NZ-OE2 2.83Å; K26-E279 PolarHBondContact NZ-OE2 3.38Å; V185-E279 HydrophobicContact CG1-CB 4.48Å; A275-E279 PolarHBondContact O-N 2.94Å; N276-E279 PolarHBondContact OD1-OE2 3.34Å; E279-Y281 VanDerWaalsContact C-N 3.34Å; E279-Y281 PolarHBondContact O-N 2.54Å; E279-C282 PolarHBondContact O-N 2.96Å; E279-L283 WeakPolarHBondContact O-CG 3.17Å; E279-L283 PolarHBondContact O-N 3.26Å
280K87.1Confident89Confident61 Ų6156.5 Ų56.527%0.26528%0.278SS..Hα-helixtrans-66.1-38.4-174.2-68.2179.4172.3-173.30111.2D36 V39 Y278 L283 V284D36-K280 IonicContact OD1-NZ 3.78Å; D36-K280 PolarHBondContact OD1-NZ 3.01Å; V39-K280 HydrophobicContact CG2-CB 4.28Å; V39-K280 HydrophobicContact CG2-CD 4.04Å; V39-K280 HydrophobicContact CG2-CG 4.45Å; Y278-K280 PolarHBondContact O-N 2.94Å; K280-L283 PolarHBondContact O-N 3.37Å; K280-V284 WeakPolarHBondContact O-CG2 3.26Å; K280-V284 PolarHBondContact O-N 2.88Å
281Y87.9Confident89.2Confident153 Ų15357.9 Ų57.960%0.629%0.285SS*.Hα-helixtrans-68.2-42.5176.7-59.8-77.5000111.4Y278 E279 L283 V284 I285Y278-Y281 PolarHBondContact O-N 2.84Å; E279-Y281 VanDerWaalsContact C-N 3.34Å; E279-Y281 PolarHBondContact O-N 2.54Å; Y281-L283 VanDerWaalsContact C-N 3.31Å; Y281-L283 PolarHBondContact O-N 3.5Å; Y281-V284 PolarHBondContact O-N 3.44Å; Y281-I285 WeakPolarHBondContact O-CG1 3.44Å; Y281-I285 PolarHBondContact O-N 3.29Å
282C92.2Very high89.4Confident14 Ų1455 Ų5510%0.09528%0.275CS..Hα-helixtrans-64.4-37.7177.5-62.60000111.8Y278 E279 I285 A286Y278-C282 PolarHBondContact O-N 3.24Å; Y278-C282 VanDerWaalsContact O-N 3.08Å; Y278-C282 PolarHBondContact O-SG 3.47Å; E279-C282 PolarHBondContact O-N 2.96Å; C282-I285 PolarHBondContact O-N 2.85Å; C282-A286 WeakPolarHBondContact O-CB 3.29Å; C282-A286 PolarHBondContact O-N 3.46Å
283L90.6Very high89.7Confident68 Ų6847.7 Ų47.736%0.35624%0.236SC..Hα-helixtrans-61.5-45.1175.7-74170.3000112.1Y89 L92 E279 K280 Y281 A286 E287Y89-L283 HydrophobicContact CE1-CD2 4.28Å; L92-L283 HydrophobicContact CD2-CD1 4.3Å; L92-L283 HydrophobicContact CD2-CD2 4.4Å; E279-L283 WeakPolarHBondContact O-CG 3.17Å; E279-L283 PolarHBondContact O-N 3.26Å; K280-L283 PolarHBondContact O-N 3.37Å; Y281-L283 VanDerWaalsContact C-N 3.31Å; Y281-L283 PolarHBondContact O-N 3.5Å; L283-A286 PolarHBondContact O-N 2.9Å; L283-E287 WeakPolarHBondContact O-CB 3.24Å; L283-E287 PolarHBondContact O-N 3.25Å
284V90.4Very high89.9Confident45 Ų4547.7 Ų47.727%0.27323%0.234SC..Hα-helixtrans-64.9-41.5177.2174.60000111.2L46 K280 Y281 A286 E287 C288L46-V284 HydrophobicContact CD2-CG1 4.31Å; K280-V284 WeakPolarHBondContact O-CG2 3.26Å; K280-V284 PolarHBondContact O-N 2.88Å; Y281-V284 PolarHBondContact O-N 3.44Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 3.47Å; V284-E287 PolarHBondContact O-N 3.06Å; V284-C288 PolarHBondContact O-N 3.25Å; V284-C288 PolarHBondContact O-SG 2.62Å
285I92.4Very high90Very high72 Ų7246 Ų4637%0.36922%0.224SC..Hα-helixtrans-62.6-42.1176.5-68.3168.6000110.9C255 Y281 C282 C288C255-I285 HydrophobicContact CB-CG2 4.16Å; C255-I285 WeakPolarHBondContact CB-O 3.08Å; C255-I285 WeakPolarHBondContact O-CG2 3.27Å; C255-I285 PolarHBondContact SG-O 3.04Å; Y281-I285 WeakPolarHBondContact O-CG1 3.44Å; Y281-I285 PolarHBondContact O-N 3.29Å; C282-I285 PolarHBondContact O-N 2.85Å; I285-C288 PolarHBondContact O-N 3.43Å
286A93Very high89.9Confident3 Ų346.4 Ų46.43%0.02523%0.225CC..Hα-helixtrans-65.8-39.4176.200000111.9Y89 W256 C282 L283 V284 C288 N289Y89-A286 WeakPolarHBondContact OH-CB 3.44Å; W256-A286 HydrophobicContact CD2-CB 3.89Å; W256-A286 HydrophobicContact CE3-CB 3.79Å; W256-A286 HydrophobicContact CH2-CB 3.97Å; W256-A286 HydrophobicContact CZ2-CB 4.05Å; W256-A286 HydrophobicContact CZ3-CB 3.84Å; C282-A286 WeakPolarHBondContact O-CB 3.29Å; C282-A286 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 2.9Å; V284-A286 VanDerWaalsContact C-N 3.33Å; V284-A286 PolarHBondContact O-N 3.47Å; A286-C288 PolarHBondContact O-N 3.08Å; A286-N289 VanDerWaalsContact O-CB 3.23Å; A286-N289 WeakPolarHBondContact O-CB 3.46Å; A286-N289 PolarHBondContact O-N 3.31Å
287E92.9Very high89.8Confident3 Ų344.9 Ų44.91%0.01422%0.216CC..Hα-helixtrans-61.9-43.6176.1-173.8179.8176.500111.9L46 S47 Y89 L283 V284 N289 S290L46-E287 HydrophobicContact CD2-CB 4.07Å; L46-E287 HydrophobicContact CD2-CG 3.78Å; L46-E287 HydrophobicContact CG-CG 4.09Å; S47-E287 VanDerWaalsContact CA-OE1 3.22Å; S47-E287 WeakPolarHBondContact CA-OE1 3.33Å; S47-E287 WeakPolarHBondContact CB-OE1 3.25Å; S47-E287 PolarHBondContact N-OE1 3.4Å; S47-E287 PolarHBondContact OG-OE1 2.95Å; Y89-E287 HydrophobicContact CD1-CB 4.09Å; Y89-E287 HydrophobicContact CD1-CG 4.17Å; Y89-E287 HydrophobicContact CD2-CB 4.2Å; Y89-E287 HydrophobicContact CD2-CG 3.94Å; Y89-E287 HydrophobicContact CE1-CB 3.98Å; Y89-E287 HydrophobicContact CE2-CB 4.12Å; Y89-E287 HydrophobicContact CE2-CG 4.33Å; Y89-E287 HydrophobicContact CG-CB 4.21Å; Y89-E287 HydrophobicContact CG-CG 3.87Å; L283-E287 WeakPolarHBondContact O-CB 3.24Å; L283-E287 PolarHBondContact O-N 3.25Å; V284-E287 PolarHBondContact O-N 3.06Å; E287-N289 PolarHBondContact O-N 2.83Å; E287-N289 VanDerWaalsContact O-N 3.1Å; E287-S290 WeakPolarHBondContact O-CB 3.4Å; E287-S290 PolarHBondContact O-N 3Å; E287-S290 PolarHBondContact O-OG 3.05Å
288C92.5Very high89.7Confident49 Ų4940.5 Ų40.533%0.33120%0.202SC..Hα-helixtrans-55.7-28.3177.2-74.90000113.5V284 I285 A286 S290 L291V284-C288 PolarHBondContact O-N 3.25Å; V284-C288 PolarHBondContact O-SG 2.62Å; I285-C288 PolarHBondContact O-N 3.43Å; A286-C288 PolarHBondContact O-N 3.08Å; C288-S290 PolarHBondContact O-N 3.16Å; C288-L291 WeakPolarHBondContact O-CB 3.24Å; C288-L291 PolarHBondContact O-N 2.85Å; C288-L291 VanDerWaalsContact O-N 3.08Å
289N93.5Very high89.5Confident1 Ų139.8 Ų39.81%0.00521%0.206CC..Hα-helixtrans-56.6-35.4176.3175.871.8000112.2F252 C255 A286 E287 L291 V292F252-N289 WeakPolarHBondContact CA-OD1 3.37Å; F252-N289 WeakPolarHBondContact CD2-ND2 3.29Å; F252-N289 PolarHBondContact N-OD1 3.13Å; C255-N289 HydrophobicContact CB-CB 3.73Å; A286-N289 VanDerWaalsContact O-CB 3.23Å; A286-N289 WeakPolarHBondContact O-CB 3.46Å; A286-N289 PolarHBondContact O-N 3.31Å; E287-N289 PolarHBondContact O-N 2.83Å; E287-N289 VanDerWaalsContact O-N 3.1Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 VanDerWaalsContact O-N 3.12Å; N289-V292 WeakPolarHBondContact O-CB 3.28Å; N289-V292 PolarHBondContact O-N 2.84Å
290S94Very high89Confident2 Ų244.3 Ų44.31%0.01422%0.221CC..Hα-helixtrans-67.1-12.7-178.5-47.80000113.1N54 E287 C288N54-S290 PolarHBondContact ND2-O 2.81Å; E287-S290 WeakPolarHBondContact O-CB 3.4Å; E287-S290 PolarHBondContact O-N 3Å; E287-S290 PolarHBondContact O-OG 3.05Å; C288-S290 PolarHBondContact O-N 3.16Å
291L92.8Very high88.6Confident29 Ų2943.3 Ų43.315%0.15222%0.219CC..Hα-helixtrans-91.4-22.4171.3-69.2-175.8000113.8L46 I49 V50 A53 C288 N289 N293 P294 I295L46-L291 HydrophobicContact CD1-CD1 3.45Å; L46-L291 VanDerWaalsContact CD1-CD1 3.45Å; L46-L291 HydrophobicContact CD1-CG 4.32Å; I49-L291 HydrophobicContact CB-CD2 4.45Å; I49-L291 HydrophobicContact CG2-CD1 4.26Å; I49-L291 HydrophobicContact CG2-CD2 3.77Å; V50-L291 HydrophobicContact CB-CD2 4.15Å; V50-L291 HydrophobicContact CG2-CD1 4.44Å; V50-L291 HydrophobicContact CG2-CD2 3.54Å; V50-L291 HydrophobicContact CG2-CG 3.61Å; A53-L291 HydrophobicContact CB-CD2 4.3Å; C288-L291 WeakPolarHBondContact O-CB 3.24Å; C288-L291 PolarHBondContact O-N 2.85Å; C288-L291 VanDerWaalsContact O-N 3.08Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 VanDerWaalsContact O-N 3.12Å; L291-N293 PolarHBondContact O-N 3.18Å; L291-P294 WeakPolarHBondContact O-CD 3.24Å; L291-I295 HydrophobicContact CB-CD1 4.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.35Å; L291-I295 VanDerWaalsContact O-CG1 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.31Å; L291-I295 PolarHBondContact O-N 3.27Å
292V90.4Very high88.2Confident34 Ų3438.8 Ų38.821%0.20621%0.213CC..Hα-helixtrans-62.2-36.9-174.4175.70000110.5A251 N289 I295 I296A251-V292 HydrophobicContact CB-CB 4.39Å; A251-V292 HydrophobicContact CB-CG1 3.69Å; A251-V292 HydrophobicContact CB-CG2 4.24Å; N289-V292 WeakPolarHBondContact O-CB 3.28Å; N289-V292 PolarHBondContact O-N 2.84Å; V292-I295 PolarHBondContact O-N 3.28Å; V292-I296 HydrophobicContact CG1-CD1 3.44Å; V292-I296 VanDerWaalsContact CG1-CD1 3.44Å; V292-I296 HydrophobicContact CG1-CG1 4.02Å; V292-I296 WeakPolarHBondContact O-CB 3.3Å; V292-I296 VanDerWaalsContact O-CG1 3.26Å; V292-I296 WeakPolarHBondContact O-CG1 3.46Å; V292-I296 PolarHBondContact O-N 3.17Å
293N88.9Confident87.6Confident0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-63.7-58.5-177.8-62.8-35.9000112.5M78 D82 V248 L291 I295 I296 Y297M78-N293 VanDerWaalsContact CE-CG 3.47Å; M78-N293 WeakPolarHBondContact CE-ND2 3.49Å; M78-N293 WeakPolarHBondContact CE-OD1 3.37Å; D82-N293 PolarHBondContact OD2-ND2 3.47Å; V248-N293 WeakPolarHBondContact CG1-OD1 3.3Å; L291-N293 PolarHBondContact O-N 3.18Å; N293-I295 VanDerWaalsContact C-N 3.26Å; N293-I295 PolarHBondContact O-N 3.32Å; N293-I296 PolarHBondContact O-N 2.99Å; N293-I296 VanDerWaalsContact O-N 3.16Å; N293-Y297 HydrophobicContact CB-CE2 3.93Å; N293-Y297 WeakPolarHBondContact O-CD1 3.42Å; N293-Y297 WeakPolarHBondContact O-CD2 3.41Å; N293-Y297 PolarHBondContact O-N 3.47Å
294P89.4Confident87.1Confident12 Ų1237.2 Ų37.28%0.07820%0.203CC..Hα-helixtrans-51.7-41.2172.3-26.429.9000114.2A53 N54 V57 L291 Y297 S298A53-P294 HydrophobicContact CB-CB 4.01Å; A53-P294 HydrophobicContact CB-CG 3.89Å; N54-P294 WeakPolarHBondContact OD1-CG 3.39Å; V57-P294 HydrophobicContact CG2-CB 4Å; V57-P294 HydrophobicContact CG2-CG 4Å; L291-P294 WeakPolarHBondContact O-CD 3.24Å; P294-Y297 PolarHBondContact O-N 3.42Å; P294-S298 WeakPolarHBondContact O-CB 3.35Å; P294-S298 PolarHBondContact O-N 3.28Å; P294-S298 PolarHBondContact O-OG 3.29Å
295I87.9Confident86.9Confident90 Ų9039.4 Ų39.446%0.46221%0.206SC..Hα-helixtrans-62.1-50.6178.5-68.5167.7000110.2L291 V292 N293 Y297 S298 L299L291-I295 HydrophobicContact CB-CD1 4.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.35Å; L291-I295 VanDerWaalsContact O-CG1 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.31Å; L291-I295 PolarHBondContact O-N 3.27Å; V292-I295 PolarHBondContact O-N 3.28Å; N293-I295 VanDerWaalsContact C-N 3.26Å; N293-I295 PolarHBondContact O-N 3.32Å; I295-Y297 VanDerWaalsContact C-N 3.3Å; I295-Y297 PolarHBondContact O-N 2.81Å; I295-S298 PolarHBondContact O-N 3.17Å; I295-S298 PolarHBondContact O-OG 2.98Å; I295-L299 HydrophobicContact CG2-CD1 3.88Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 2.93Å
296I85.8Confident86.5Confident14 Ų1442.3 Ų42.37%0.07222%0.216CC..Hα-helixtrans-59.2-44179.4-72.8175.3000110.5T244 M247 V248 V292 N293 L299 R300T244-I296 HydrophobicContact CG2-CG2 3.54Å; M247-I296 HydrophobicContact CB-CD1 4.01Å; M247-I296 HydrophobicContact CE-CG2 4.44Å; V248-I296 HydrophobicContact CB-CD1 4.28Å; V248-I296 HydrophobicContact CG2-CB 4.43Å; V248-I296 HydrophobicContact CG2-CD1 3.48Å; V248-I296 VanDerWaalsContact CG2-CD1 3.48Å; V248-I296 HydrophobicContact CG2-CG2 4.05Å; V292-I296 HydrophobicContact CG1-CD1 3.44Å; V292-I296 VanDerWaalsContact CG1-CD1 3.44Å; V292-I296 HydrophobicContact CG1-CG1 4.02Å; V292-I296 WeakPolarHBondContact O-CB 3.3Å; V292-I296 VanDerWaalsContact O-CG1 3.26Å; V292-I296 WeakPolarHBondContact O-CG1 3.46Å; V292-I296 PolarHBondContact O-N 3.17Å; N293-I296 PolarHBondContact O-N 2.99Å; N293-I296 VanDerWaalsContact O-N 3.16Å; I296-L299 PolarHBondContact O-N 3.32Å; I296-R300 HydrophobicContact CG2-CG 4.16Å; I296-R300 VanDerWaalsContact O-CB 3.26Å; I296-R300 WeakPolarHBondContact O-CB 3.39Å; I296-R300 WeakPolarHBondContact O-CG 3.43Å; I296-R300 PolarHBondContact O-N 3.13Å
297Y82.9Confident86Confident15 Ų1542.9 Ų42.96%0.05922%0.219CC..Hα-helixtrans-64-44.4178.9-53.2-26.8000111.7V57 L75 M78 N293 P294 I295 L299 R300 D301 M304V57-Y297 HydrophobicContact CG1-CD2 4.27Å; V57-Y297 HydrophobicContact CG1-CE2 4.33Å; V57-Y297 HydrophobicContact CG2-CD2 4.15Å; L75-Y297 HydrophobicContact CD1-CD1 4.19Å; L75-Y297 HydrophobicContact CD1-CE1 3.41Å; L75-Y297 VanDerWaalsContact CD1-CE1 3.41Å; L75-Y297 HydrophobicContact CD1-CE2 3.96Å; L75-Y297 WeakPolarHBondContact CD1-OH 3.27Å; L75-Y297 HydrophobicContact CD2-CD2 4.43Å; L75-Y297 HydrophobicContact CD2-CE2 4.27Å; L75-Y297 HydrophobicContact CG-CE1 4.23Å; L75-Y297 HydrophobicContact CG-CE2 3.92Å; M78-Y297 PolarHBondContact SD-OH 2.8Å; N293-Y297 HydrophobicContact CB-CE2 3.93Å; N293-Y297 WeakPolarHBondContact O-CD1 3.42Å; N293-Y297 WeakPolarHBondContact O-CD2 3.41Å; N293-Y297 PolarHBondContact O-N 3.47Å; P294-Y297 PolarHBondContact O-N 3.42Å; I295-Y297 VanDerWaalsContact C-N 3.3Å; I295-Y297 PolarHBondContact O-N 2.81Å; Y297-L299 PolarHBondContact O-N 3.18Å; Y297-R300 PolarHBondContact O-N 2.76Å; Y297-D301 WeakPolarHBondContact O-CB 3.39Å; Y297-D301 PolarHBondContact O-N 3.12Å; Y297-M304 VanDerWaalsContact CB-CE 3.42Å; Y297-M304 HydrophobicContact CD2-CE 3.38Å; Y297-M304 HydrophobicContact CD2-SD 4.47Å; Y297-M304 HydrophobicContact CE2-CE 4.4Å; Y297-M304 HydrophobicContact CG-CE 3.7Å; Y297-M304 HydrophobicContact CG-SD 4.29Å
298S84.1Confident85.7Confident36 Ų3643.5 Ų43.525%0.25222%0.222SC..Hα-helixtrans-60.9-30.7177.478.50000112.9P294 I295 R305P294-S298 WeakPolarHBondContact O-CB 3.35Å; P294-S298 PolarHBondContact O-N 3.28Å; P294-S298 PolarHBondContact O-OG 3.29Å; I295-S298 PolarHBondContact O-N 3.17Å; I295-S298 PolarHBondContact O-OG 2.98Å; S298-R305 PolarHBondContact O-NE 3.22Å; S298-R305 PolarHBondContact O-NH1 3.33Å; S298-R305 PolarHBondContact O-NH2 3.45Å
299L82.3Confident85.3Confident106 Ų10647.7 Ų47.756%0.55524%0.235SC*.Hα-helixtrans-87.7-32.3-179.3-67.8176.2000113.1I295 I296 Y297 R305I295-L299 HydrophobicContact CG2-CD1 3.88Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 2.93Å; I296-L299 PolarHBondContact O-N 3.32Å; Y297-L299 PolarHBondContact O-N 3.18Å; L299-R305 VanDerWaalsContact C-NH2 3.27Å; L299-R305 PolarHBondContact O-NH2 3.43Å
300R77.7Confident84.8Confident123 Ų12351.2 Ų51.246%0.46425%0.248SC..Hα-helixtrans-102.4-26.3-170.6-65.4-67.3-175.3158.84.4114.3T244 M247 I296 Y297T244-R300 HydrophobicContact CG2-CB 4.3Å; T244-R300 HydrophobicContact CG2-CG 4.19Å; M247-R300 HydrophobicContact CE-CG 4.26Å; M247-R300 VanDerWaalsContact CE-NE 3.25Å; M247-R300 PolarHBondContact SD-NH2 2.9Å; M247-R300 VanDerWaalsContact SD-NH2 3.42Å; I296-R300 HydrophobicContact CG2-CG 4.16Å; I296-R300 VanDerWaalsContact O-CB 3.26Å; I296-R300 WeakPolarHBondContact O-CB 3.39Å; I296-R300 WeakPolarHBondContact O-CG 3.43Å; I296-R300 PolarHBondContact O-N 3.13Å; Y297-R300 PolarHBondContact O-N 2.76Å
301D78.8Confident84.3Confident40 Ų4051.5 Ų51.521%0.21425%0.249CC..  trans-108.8109.2-179.1-170-36.2000110.4Y297 E303 M304 R305Y297-D301 WeakPolarHBondContact O-CB 3.39Å; Y297-D301 PolarHBondContact O-N 3.12Å; D301-E303 VanDerWaalsContact C-N 3.33Å; D301-E303 WeakPolarHBondContact OD1-CA 3.28Å; D301-E303 WeakPolarHBondContact OD1-CB 3.27Å; D301-E303 PolarHBondContact OD1-N 3.37Å; D301-M304 HydrophobicContact CB-CB 3.71Å; D301-M304 PolarHBondContact OD1-N 2.74Å; D301-R305 WeakPolarHBondContact O-CB 3.44Å; D301-R305 PolarHBondContact O-N 2.9Å
302A79.8Confident83.8Confident59 Ų5954.9 Ų54.949%0.48827%0.267SS..Hα-helixtrans-68.1-32.6-179.900000112.6K306A302-K306 WeakPolarHBondContact O-CG 3.3Å; A302-K306 PolarHBondContact O-N 3.43Å; A302-K306 VanDerWaalsContact O-N 3.12Å
303E79Confident83.3Confident47 Ų4756.9 Ų56.922%0.2228%0.281CS..Hα-helixtrans-73.1-44.8179.4-165.773.4165.400109.9R66 F67 D301 R305 K306 T307R66-E303 WeakPolarHBondContact CD-OE1 3.37Å; R66-E303 IonicContact CZ-OE1 3.83Å; R66-E303 IonicContact NH1-OE1 2.71Å; R66-E303 PolarHBondContact NH1-OE1 2.99Å; F67-E303 HydrophobicContact CE1-CB 4.16Å; F67-E303 HydrophobicContact CE1-CG 4.01Å; F67-E303 HydrophobicContact CZ-CB 4.08Å; F67-E303 HydrophobicContact CZ-CG 3.85Å; D301-E303 VanDerWaalsContact C-N 3.33Å; D301-E303 WeakPolarHBondContact OD1-CA 3.28Å; D301-E303 WeakPolarHBondContact OD1-CB 3.27Å; D301-E303 PolarHBondContact OD1-N 3.37Å; E303-R305 VanDerWaalsContact C-N 3.31Å; E303-R305 PolarHBondContact O-N 3.16Å; E303-K306 WeakPolarHBondContact O-CB 3.38Å; E303-K306 PolarHBondContact O-N 3.22Å; E303-K306 VanDerWaalsContact O-N 3.12Å; E303-K306 IonicContact OE2-NZ 2.81Å; E303-T307 PolarHBondContact O-N 3.27Å; E303-T307 PolarHBondContact O-OG1 2.89Å; E303-T307 VanDerWaalsContact O-OG1 3.13Å
304M80.6Confident82.4Confident1 Ų159 Ų591%0.00530%0.295CS..Hα-helixtrans-60.8-41175.8-165.4149.7161.200111.6V57 F67 L75 Y297 D301 K306 T307 F308V57-M304 HydrophobicContact CB-CE 4.1Å; V57-M304 HydrophobicContact CG1-CE 3.57Å; V57-M304 HydrophobicContact CG2-CE 3.79Å; F67-M304 HydrophobicContact CZ-CB 4.25Å; L75-M304 HydrophobicContact CD2-CE 4.45Å; L75-M304 HydrophobicContact CD2-SD 4.27Å; Y297-M304 VanDerWaalsContact CB-CE 3.42Å; Y297-M304 HydrophobicContact CD2-CE 3.38Å; Y297-M304 HydrophobicContact CD2-SD 4.47Å; Y297-M304 HydrophobicContact CE2-CE 4.4Å; Y297-M304 HydrophobicContact CG-CE 3.7Å; Y297-M304 HydrophobicContact CG-SD 4.29Å; D301-M304 HydrophobicContact CB-CB 3.71Å; D301-M304 PolarHBondContact OD1-N 2.74Å; M304-K306 PolarHBondContact O-N 3.37Å; M304-T307 PolarHBondContact O-N 3.32Å; M304-F308 HydrophobicContact CE-CE1 4.11Å; M304-F308 HydrophobicContact CE-CE2 4.22Å; M304-F308 HydrophobicContact CE-CZ 3.42Å; M304-F308 VanDerWaalsContact CE-CZ 3.42Å; M304-F308 HydrophobicContact CG-CE1 3.94Å; M304-F308 HydrophobicContact CG-CE2 3.96Å; M304-F308 HydrophobicContact CG-CZ 3.64Å; M304-F308 VanDerWaalsContact O-CG 3.27Å; M304-F308 WeakPolarHBondContact O-CG 3.42Å; M304-F308 PolarHBondContact O-N 3.5Å; M304-F308 HydrophobicContact SD-CZ 4.4Å
305R85.3Confident81.1Confident91 Ų9166.4 Ų66.434%0.34333%0.327SS..Hα-helixtrans-62.4-38.9174.5-161.4-169.1-30.9-124.7-4112.9S298 L299 D301 E303 K309S298-R305 PolarHBondContact O-NE 3.22Å; S298-R305 PolarHBondContact O-NH1 3.33Å; S298-R305 PolarHBondContact O-NH2 3.45Å; L299-R305 VanDerWaalsContact C-NH2 3.27Å; L299-R305 PolarHBondContact O-NH2 3.43Å; D301-R305 WeakPolarHBondContact O-CB 3.44Å; D301-R305 PolarHBondContact O-N 2.9Å; E303-R305 VanDerWaalsContact C-N 3.31Å; E303-R305 PolarHBondContact O-N 3.16Å; R305-K309 WeakPolarHBondContact O-CG 3.45Å; R305-K309 PolarHBondContact O-N 3.43Å; R305-K309 VanDerWaalsContact O-N 3.09Å
306K84Confident79.6Confident134 Ų13467.4 Ų67.458%0.58334%0.341SS*.Hα-helixtrans-65.4-44.6173.9-72.8171.3-170170.80110.8A302 E303 M304 F308 K309 W310A302-K306 WeakPolarHBondContact O-CG 3.3Å; A302-K306 PolarHBondContact O-N 3.43Å; A302-K306 VanDerWaalsContact O-N 3.12Å; E303-K306 WeakPolarHBondContact O-CB 3.38Å; E303-K306 PolarHBondContact O-N 3.22Å; E303-K306 VanDerWaalsContact O-N 3.12Å; E303-K306 IonicContact OE2-NZ 2.81Å; M304-K306 PolarHBondContact O-N 3.37Å; K306-F308 PolarHBondContact O-N 2.74Å; K306-K309 PolarHBondContact O-N 3.07Å; K306-W310 WeakPolarHBondContact O-CB 3.38Å; K306-W310 PolarHBondContact O-N 3.11Å
307T82.4Confident78.1Confident14 Ų1476.3 Ų76.39%0.08637%0.373CS..Hα-helixtrans-61.6-42.2177-53.80000111.4A60 N64 E303 M304 K309 W310 I311A60-T307 HydrophobicContact CB-CG2 3.68Å; N64-T307 PolarHBondContact ND2-OG1 3.01Å; E303-T307 PolarHBondContact O-N 3.27Å; E303-T307 PolarHBondContact O-OG1 2.89Å; E303-T307 VanDerWaalsContact O-OG1 3.13Å; M304-T307 PolarHBondContact O-N 3.32Å; T307-K309 PolarHBondContact O-N 3.24Å; T307-W310 PolarHBondContact O-N 3.19Å; T307-I311 HydrophobicContact CG2-CD1 3.99Å; T307-I311 HydrophobicContact CG2-CG1 4.4Å; T307-I311 WeakPolarHBondContact O-CG1 3.45Å; T307-I311 PolarHBondContact O-N 3.07Å
308F86.8Confident76.2Confident17 Ų1784.9 Ų84.98%0.07541%0.413CS..Hα-helixtrans-59.6-47.3174.2-68.5-15.6000112.7L56 V57 A60 M304 K306 W310 I311 L312L56-F308 HydrophobicContact CD1-CD1 4.23Å; L56-F308 HydrophobicContact CD2-CB 4.31Å; L56-F308 HydrophobicContact CD2-CD1 3.94Å; L56-F308 HydrophobicContact CD2-CE1 4.33Å; L56-F308 HydrophobicContact CD2-CG 4.03Å; L56-F308 HydrophobicContact CG-CD1 3.69Å; L56-F308 HydrophobicContact CG-CE1 3.88Å; L56-F308 HydrophobicContact CG-CG 4.3Å; V57-F308 HydrophobicContact CG2-CE1 4.46Å; V57-F308 HydrophobicContact CG2-CZ 3.82Å; A60-F308 HydrophobicContact CB-CD1 3.9Å; A60-F308 HydrophobicContact CB-CE1 3.62Å; M304-F308 HydrophobicContact CE-CE1 4.11Å; M304-F308 HydrophobicContact CE-CE2 4.22Å; M304-F308 HydrophobicContact CE-CZ 3.42Å; M304-F308 VanDerWaalsContact CE-CZ 3.42Å; M304-F308 HydrophobicContact CG-CE1 3.94Å; M304-F308 HydrophobicContact CG-CE2 3.96Å; M304-F308 HydrophobicContact CG-CZ 3.64Å; M304-F308 VanDerWaalsContact O-CG 3.27Å; M304-F308 WeakPolarHBondContact O-CG 3.42Å; M304-F308 PolarHBondContact O-N 3.5Å; M304-F308 HydrophobicContact SD-CZ 4.4Å; K306-F308 PolarHBondContact O-N 2.74Å; F308-W310 VanDerWaalsContact C-N 3.29Å; F308-W310 PolarHBondContact O-N 3.29Å; F308-I311 PolarHBondContact O-N 2.99Å; F308-L312 WeakPolarHBondContact O-CB 3.44Å; F308-L312 VanDerWaalsContact O-CG 3.3Å; F308-L312 WeakPolarHBondContact O-CG 3.46Å; F308-L312 PolarHBondContact O-N 2.93Å
309K84.2Confident74.5Confident137 Ų13786.3 Ų86.360%0.59643%0.434SS*.Hα-helixtrans-59-43.6175-74-178.4178.6-172.70111.2R305 K306 T307 L312 C313R305-K309 WeakPolarHBondContact O-CG 3.45Å; R305-K309 PolarHBondContact O-N 3.43Å; R305-K309 VanDerWaalsContact O-N 3.09Å; K306-K309 PolarHBondContact O-N 3.07Å; T307-K309 PolarHBondContact O-N 3.24Å; K309-L312 PolarHBondContact O-N 3.16Å; K309-C313 VanDerWaalsContact O-CB 3.24Å; K309-C313 WeakPolarHBondContact O-CB 3.3Å; K309-C313 PolarHBondContact O-N 2.87Å; K309-C313 PolarHBondContact O-SG 2.81Å
310W82.9Confident73.1Confident74 Ų7484.9 Ų84.928%0.2845%0.445SS..Hα-helixtrans-63-47.4178.8177.478.6000112.1M63 K306 T307 F308 L312 C313 C314 C321 P323M63-W310 HydrophobicContact CE-CH2 3.44Å; M63-W310 VanDerWaalsContact CE-CH2 3.44Å; M63-W310 HydrophobicContact CE-CZ3 3.27Å; M63-W310 HydrophobicContact SD-CZ3 3.9Å; K306-W310 WeakPolarHBondContact O-CB 3.38Å; K306-W310 PolarHBondContact O-N 3.11Å; T307-W310 PolarHBondContact O-N 3.19Å; F308-W310 VanDerWaalsContact C-N 3.29Å; F308-W310 PolarHBondContact O-N 3.29Å; W310-L312 PolarHBondContact O-N 3.14Å; W310-C313 PolarHBondContact O-N 3.24Å; W310-C314 WeakPolarHBondContact O-CB 3.32Å; W310-C314 PolarHBondContact O-N 3.17Å; W310-C314 PolarHBondContact O-SG 3.11Å; W310-C314 VanDerWaalsContact O-SG 3.38Å; W310-C321 WeakPolarHBondContact CZ2-O 3.41Å; W310-C321 PolarHBondContact NE1-O 3.48Å; W310-P323 HydrophobicContact CH2-CG 4.44Å; W310-P323 HydrophobicContact CZ2-CG 4.19Å
311I83.6Confident71.3Confident9 Ų983.1 Ų83.15%0.04645%0.451CS..Hα-helixtrans-58.1-50.6176.8-66.4169.4000110.3L56 A59 A60 M63 T307 F308 C313 C314 F315L56-I311 HydrophobicContact CD1-CB 3.98Å; L56-I311 HydrophobicContact CD1-CD1 3.97Å; L56-I311 HydrophobicContact CD1-CG2 3.63Å; A59-I311 HydrophobicContact CB-CD1 4.34Å; A60-I311 HydrophobicContact CB-CD1 4.05Å; M63-I311 HydrophobicContact SD-CD1 3.96Å; M63-I311 HydrophobicContact SD-CG1 3.97Å; T307-I311 HydrophobicContact CG2-CD1 3.99Å; T307-I311 HydrophobicContact CG2-CG1 4.4Å; T307-I311 WeakPolarHBondContact O-CG1 3.45Å; T307-I311 PolarHBondContact O-N 3.07Å; F308-I311 PolarHBondContact O-N 2.99Å; I311-C313 PolarHBondContact O-N 2.98Å; I311-C314 PolarHBondContact O-N 3.49Å; I311-F315 HydrophobicContact CG2-CD2 3.86Å; I311-F315 HydrophobicContact CG2-CE2 3.76Å; I311-F315 VanDerWaalsContact O-CD2 3.25Å; I311-F315 WeakPolarHBondContact O-CD2 3.36Å; I311-F315 PolarHBondContact O-N 3.45Å; I311-F315 VanDerWaalsContact O-N 3.08Å
312L83.5Confident69.8Low99 Ų9989.8 Ų89.852%0.51848%0.481SS..Hα-helixtrans-62-42179.7-68.9167.9000111.9F308 K309 W310 F315 C316F308-L312 WeakPolarHBondContact O-CB 3.44Å; F308-L312 VanDerWaalsContact O-CG 3.3Å; F308-L312 WeakPolarHBondContact O-CG 3.46Å; F308-L312 PolarHBondContact O-N 2.93Å; K309-L312 PolarHBondContact O-N 3.16Å; W310-L312 PolarHBondContact O-N 3.14Å; L312-F315 PolarHBondContact O-N 2.63Å; L312-C316 PolarHBondContact O-N 3.45Å; L312-C316 PolarHBondContact O-SG 3.23Å
313C80.6Confident67.9Low76 Ų7691.4 Ų91.451%0.51449%0.486SS..Hα-helixtrans-66.9-34.7176.9-71.70000113.1K309 W310 I311 C316 R317K309-C313 VanDerWaalsContact O-CB 3.24Å; K309-C313 WeakPolarHBondContact O-CB 3.3Å; K309-C313 PolarHBondContact O-N 2.87Å; K309-C313 PolarHBondContact O-SG 2.81Å; W310-C313 PolarHBondContact O-N 3.24Å; I311-C313 PolarHBondContact O-N 2.98Å; C313-C316 PolarHBondContact O-N 3.28Å; C313-R317 PolarHBondContact O-N 2.83Å
314C69.3Low65.9Low44 Ų44100.7 Ų100.730%0.29752%0.519SS..Hα-helixtrans-68.8-33.5174.6-75.90000112.4W310 I311 R317W310-C314 WeakPolarHBondContact O-CB 3.32Å; W310-C314 PolarHBondContact O-N 3.17Å; W310-C314 PolarHBondContact O-SG 3.11Å; W310-C314 VanDerWaalsContact O-SG 3.38Å; I311-C314 PolarHBondContact O-N 3.49Å; C314-R317 CarbonylContact O-C 3.19Å; C314-R317 VanDerWaalsContact O-O 3.14Å
315F61.6Low63.8Low168 Ų168108.7 Ų108.774%0.73756%0.557SS**Hα-helixtrans-70-31.6170.6-81.8-73.1000112.5I311 L312I311-F315 HydrophobicContact CG2-CD2 3.86Å; I311-F315 HydrophobicContact CG2-CE2 3.76Å; I311-F315 VanDerWaalsContact O-CD2 3.25Å; I311-F315 WeakPolarHBondContact O-CD2 3.36Å; I311-F315 PolarHBondContact O-N 3.45Å; I311-F315 VanDerWaalsContact O-N 3.08Å; L312-F315 PolarHBondContact O-N 2.63Å
316C57.1Low61.3Low111 Ų111110.3 Ų110.375%0.7558%0.576SS**Hα-helixtrans-82.6-21.8177.1-62.60000114.7L312 C313L312-C316 PolarHBondContact O-N 3.45Å; L312-C316 PolarHBondContact O-SG 3.23Å; C313-C316 PolarHBondContact O-N 3.28Å
317R52.9Low58.7Low202 Ų202110.3 Ų110.376%0.76258%0.582SS**SBendtrans-121.993.6176.6-70.7174.790.71512.8108.9C313 C314 G319C313-R317 PolarHBondContact O-N 2.83Å; C314-R317 CarbonylContact O-C 3.19Å; C314-R317 VanDerWaalsContact O-O 3.14Å; R317-G319 VanDerWaalsContact C-N 3.34Å; R317-G319 PolarHBondContact O-N 3.47Å
318H45Very low56.4Low194 Ų194115 Ų11590%0.89862%0.616SS**  trans-59.298.9163.1-106.555.9000108.7
319G47.8Very low53.6Low67 Ų67119.2 Ų119.269%0.69164%0.643SS**SBendtrans134.398.8172.900000114.2R317R317-G319 VanDerWaalsContact C-N 3.34Å; R317-G319 PolarHBondContact O-N 3.47Å
320G51.7Low51.5Low76 Ų76121.4 Ų121.478%0.78466%0.655SS**  trans76.884.2149.900000117.3
321C41.4Very low48.9Very low86 Ų86126.7 Ų126.758%0.58169%0.685SS**  trans-153.290150.5-102.40000109.4W310W310-C321 WeakPolarHBondContact CZ2-O 3.41Å; W310-C321 PolarHBondContact NE1-O 3.48Å
322Q45.7Very low46.4Very low180 Ų180134.1 Ų134.184%0.84173%0.725SS**  trans-59.9151.4159.7-90178.4-22.200109.4R324Q322-R324 PolarHBondContact O-N 3.45Å
323P40.9Very low43.7Very low93 Ų93134.5 Ų134.560%0.60474%0.736SS**  trans-54.6118.1168.9-1829.8000108.2W310 E325W310-P323 HydrophobicContact CH2-CG 4.44Å; W310-P323 HydrophobicContact CZ2-CG 4.19Å; P323-E325 VanDerWaalsContact C-N 3.29Å; P323-E325 PolarHBondContact O-N 3.33Å
324R36.2Very low41.5Very low241 Ų241136.8 Ų136.891%0.90975%0.75SS**  trans-6498.3169.3-145.3176.3-170.2-179.51.7105.6Q322 T326Q322-R324 PolarHBondContact O-N 3.45Å; R324-T326 PolarHBondContact O-N 2.95Å
325E36.7Very low39.7Very low170 Ų170142.9 Ų142.979%0.79478%0.779SS**  trans-48.3119.7156.6-81.4-174.8161.400105.2P323 L327P323-E325 VanDerWaalsContact C-N 3.29Å; P323-E325 PolarHBondContact O-N 3.33Å; E325-L327 PolarHBondContact O-N 3.49Å
326T32.6Very low38.2Very low124 Ų124144.6 Ų144.676%0.76179%0.786SS**  trans-70.978.4171.4-31.10000105.2R324 S328R324-T326 PolarHBondContact O-N 2.95Å; T326-S328 PolarHBondContact O-N 3.01Å; T326-S328 VanDerWaalsContact O-N 3.15Å
327L31.2Very low37.1Very low135 Ų135148.2 Ų148.271%0.70779%0.792SS**  trans-58.6114.4159.5-161.382.5000104.3E325 T329E325-L327 PolarHBondContact O-N 3.49Å; L327-T329 PolarHBondContact O-N 3.13Å
328S32.2Very low36.1Very low112 Ų112147.3 Ų147.378%0.78379%0.793SS**  trans-52.8101169.2440000108.7T326T326-S328 PolarHBondContact O-N 3.01Å; T326-S328 VanDerWaalsContact O-N 3.15Å
329T29.6Very low35.5Very low105 Ų105142.7 Ų142.764%0.64478%0.783SS**  trans-114.3103.3163.5-44.20000106.8L327L327-T329 PolarHBondContact O-N 3.13Å
330E39.5Very low34.7Very low184 Ų184146 Ų14686%0.8678%0.784SS**  trans18.3110146.1-70.1167.9142.100116.2
331M27.5Very low33.8Very low185 Ų185145.7 Ų145.791%0.91177%0.77SS**  trans-117.6114.5148.2-158.7159.878.400106.4S333M331-S333 PolarHBondContact O-N 3.49Å
332D32.5Very low33.3Very low164 Ų164150.6 Ų150.688%0.87778%0.777SS**  trans-40129.8172.5-87.3-43.9000112.6
333S26.6Very low32.7Very low107 Ų107150.7 Ų150.775%0.74878%0.775SS**  trans-163.6147.5135.545.70000111.7M331 L335M331-S333 PolarHBondContact O-N 3.49Å; S333-L335 PolarHBondContact O-N 3.13Å
334P34.5Very low32.4Very low125 Ų125152 Ų15281%0.81278%0.777SS**  trans-93.697.9-151.634.6-30000111.6
335L30.4Very low32.4Very low171 Ų171147.2 Ų147.290%0.89577%0.765SS**  trans-144.963.3171.7-83.5169.3000110.4S333S333-L335 PolarHBondContact O-N 3.13Å
336K31.2Very low32.3Very low204 Ų204146.3 Ų146.389%0.88777%0.765SS**  trans-136.435.7169.5-141.6-179.9-173.5-177.40113.6
337E33.2Very low32.5Very low187 Ų187144.8 Ų144.887%0.87476%0.76SS**SBendtrans-132.828.2179.2-147.5174.9-159.300113.6
338K32.4Very low33Very low184 Ų184144.2 Ų144.280%0.876%0.761SS**SBendtrans-125.86.6176.1-103.4-177.4-1801790116.6
339S31.6Very low33.3Very low97 Ų97145.6 Ų145.668%0.67876%0.759SS**SBendtrans-110.21175.457.60000114.7
340L32Very low33.6Very low136 Ų136152.5 Ų152.571%0.71277%0.774SS**SBendtrans-105.3-7.2178.3-135.379.8000114.6
341S31.6Very low33.4Very low70 Ų70153.7 Ų153.749%0.4978%0.776SS.*SBendtrans-86.9-21.9177.5135.70000113.5K343S341-K343 PolarHBondContact O-N 3.48Å
342Y30.6Very low34Very low188 Ų188151.8 Ų151.874%0.73777%0.769SS**THydrogen-bonded Turntrans-87.46.8-179-82.8-81.5000115.2
343K34.7Very low34.2Very low182 Ų182149.2 Ų149.279%0.79176%0.761SS**THydrogen-bonded Turntrans-120.13.2179.5-90.5-171.5175.8-175.80115.2S341S341-K343 PolarHBondContact O-N 3.48Å
344L34.6Very low34.6Very low122 Ų122151.3 Ų151.364%0.63976%0.764SS**SBendtrans-110.5-11.7178.5-95139.9000113.9
345E34.8Very low34.9Very low140 Ų140157 Ų15765%0.65477%0.77SS**SBendtrans-88.9-17.3176.4-84.1169126.400114.3
346D36Very low35.3Very low151 Ų151161.3 Ų161.381%0.80779%0.785SS**THydrogen-bonded Turntrans-88.6-4.7-179.7-79.2-24000114.5
347S36Very low35.5Very low92 Ų92159.2 Ų159.264%0.64378%0.78SS**THydrogen-bonded Turntrans-100.95.4-176.952.50000115.4
348V41.6Very low35.6Very low122 Ų122157.7 Ų157.774%0.73978%0.775SS**SBendtrans-117-5-174.4-177.90000114.2
349L38.9Very low35.8Very low142 Ų142156.2 Ų156.274%0.74377%0.774SS**SBendtrans-110.213.3-166.2-90.3167.8000119.3
350W35.3Very low36Very low250 Ų250159.7 Ų159.795%0.94778%0.779SS**  trans-145.290.5169.7-87.296000114
351K35Very low36.3Very low209 Ų209161.2 Ų161.291%0.90978%0.783SS**  trans-151.896.7150.8-118.1178-177.3-179.30111.5
352N40.4Very low36.6Very low145 Ų145167.3 Ų167.378%0.77580%0.803SS**  trans57.8132159.9-90.7-3.2000119.9
353P37.1Very low37Very low109 Ų109165.8 Ų165.871%0.70881%0.808SS**  -136.6150.188.924.9-4.7000115.6
354D35.6Very low37.2Very low151 Ų151164.5 Ų164.581%0.80781%0.809SS**  trans61.5111.3143.4-52.2-25.9000120.6
355R39.4Very low37.4Very low246 Ų246168.1 Ų168.193%0.92882%0.823SS**  trans-129.8118.3143.7-146.4-178.6-85.3-158.2-4.3108.6
356Q38.8Very low37.6Very low260 Ų260170.6 Ų170.6100%1.21584%0.838SS**  trans-53.90162.1-74.4172.9-27.600111.8

Retrieved 356 of 356 residues in 356.3 ms (Link to these results)

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