A0A087Y846_POEFO Loading...

Ankyrin repeat domain 6b

AlphaFold DB , UniProt , Accession A0A087Y846, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 745 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
1M50.5Low68.3Low167 Ų16794.2 Ų94.282%0.82352%0.516SS*.  0131.50-67.3-177.571.800108D5 V9M1-D5 VanDerWaalsContact C-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 4.21Å; M1-D5 WeakPolarHBondContact CB-OD2 3.35Å; M1-D5 HydrophobicContact CE-CB 3.85Å; M1-V9 HydrophobicContact CE-CG2 4.38Å
2S62.4Low69.5Low50 Ų5089.2 Ų89.235%0.3549%0.488SS..  trans-75.3170.2171.485.70000111.2Q4 D5 A6S2-Q4 PolarHBondContact O-N 3.04Å; S2-Q4 WeakPolarHBondContact OG-CB 3.25Å; S2-Q4 PolarHBondContact OG-N 2.89Å; S2-D5 WeakPolarHBondContact CB-OD1 3.48Å; S2-D5 PolarHBondContact N-OD1 2.96Å; S2-D5 PolarHBondContact N-OD2 3.42Å; S2-D5 PolarHBondContact O-N 2.87Å; S2-D5 PolarHBondContact OG-N 3.11Å; S2-D5 VanDerWaalsContact OG-N 3.14Å; S2-D5 PolarHBondContact OG-OD1 2.94Å; S2-A6 PolarHBondContact O-N 3.47Å
3Q58.9Low70.5Confident182 Ų18282.6 Ų82.685%0.8545%0.453SS*.Hα-helixtrans-65.8-24170.2-70.1-177.9-13.500112.3A7Q3-A7 PolarHBondContact O-N 3.38Å; Q3-A7 VanDerWaalsContact O-N 3.13Å
4Q61.4Low71.6Confident149 Ų14985.9 Ų85.970%0.69646%0.464SS*.Hα-helixtrans-72.3-45.2175.2-64.4169.2-46.300110.5S2 A6 A7 E8S2-Q4 PolarHBondContact O-N 3.04Å; S2-Q4 WeakPolarHBondContact OG-CB 3.25Å; S2-Q4 PolarHBondContact OG-N 2.89Å; Q4-A6 PolarHBondContact O-N 3.3Å; Q4-A7 PolarHBondContact O-N 2.8Å; Q4-A7 VanDerWaalsContact O-N 3.08Å; Q4-E8 WeakPolarHBondContact O-CG 3.31Å; Q4-E8 PolarHBondContact O-N 2.92Å
5D65.8Low72.7Confident64 Ų6491.2 Ų91.234%0.34247%0.474SS..Hα-helixtrans-55.2-40.8175-40.11.4000111M1 S2 V9M1-D5 VanDerWaalsContact C-OD2 3.29Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 4.21Å; M1-D5 WeakPolarHBondContact CB-OD2 3.35Å; M1-D5 HydrophobicContact CE-CB 3.85Å; S2-D5 WeakPolarHBondContact CB-OD1 3.48Å; S2-D5 PolarHBondContact N-OD1 2.96Å; S2-D5 PolarHBondContact N-OD2 3.42Å; S2-D5 PolarHBondContact O-N 2.87Å; S2-D5 PolarHBondContact OG-N 3.11Å; S2-D5 VanDerWaalsContact OG-N 3.14Å; S2-D5 PolarHBondContact OG-OD1 2.94Å; D5-V9 WeakPolarHBondContact O-CB 3.25Å; D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.34Å; D5-V9 PolarHBondContact O-N 3.43Å
6A67.4Low73.8Confident44 Ų4485.6 Ų85.636%0.36445%0.445SS..Hα-helixtrans-67.1-43.3178.700000112S2 Q4 L10S2-A6 PolarHBondContact O-N 3.47Å; Q4-A6 PolarHBondContact O-N 3.3Å; A6-L10 WeakPolarHBondContact O-CB 3.38Å; A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.36Å; A6-L10 PolarHBondContact O-N 3.06Å
7A74.4Confident74.7Confident58 Ų5881.5 Ų81.548%0.47942%0.424SS..Hα-helixtrans-65.4-39.2175.800000112.3Q3 Q4 L10 A11Q3-A7 PolarHBondContact O-N 3.38Å; Q3-A7 VanDerWaalsContact O-N 3.13Å; Q4-A7 PolarHBondContact O-N 2.8Å; Q4-A7 VanDerWaalsContact O-N 3.08Å; A7-L10 PolarHBondContact O-N 3.35Å; A7-A11 WeakPolarHBondContact O-CB 3.43Å; A7-A11 PolarHBondContact O-N 3.35Å
8E76.2Confident75.5Confident133 Ų13381.9 Ų81.962%0.62143%0.426SS*.Hα-helixtrans-67.2-44.4176.2-72.2-171.4178.600112.2Q4 L10 A11 L12Q4-E8 WeakPolarHBondContact O-CG 3.31Å; Q4-E8 PolarHBondContact O-N 2.92Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 3.28Å; E8-A11 PolarHBondContact O-N 2.88Å; E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.22Å; E8-L12 PolarHBondContact O-N 3.11Å
9V74.3Confident76.4Confident36 Ų3677.8 Ų77.822%0.21841%0.405CS..Hα-helixtrans-61.8-38.7175169.30000111.3M1 D5 S13 K37M1-V9 HydrophobicContact CE-CG2 4.38Å; D5-V9 WeakPolarHBondContact O-CB 3.25Å; D5-V9 VanDerWaalsContact O-CG2 3.27Å; D5-V9 WeakPolarHBondContact O-CG2 3.34Å; D5-V9 PolarHBondContact O-N 3.43Å; V9-S13 WeakPolarHBondContact O-CB 3.5Å; V9-S13 PolarHBondContact O-N 2.86Å; V9-S13 PolarHBondContact O-OG 3.38Å; V9-K37 HydrophobicContact CG1-CB 4.35Å; V9-K37 HydrophobicContact CG1-CD 4.12Å; V9-K37 HydrophobicContact CG1-CG 4.06Å
10L77.5Confident77.2Confident108 Ų10873.9 Ų73.957%0.56538%0.384SS*.Hα-helixtrans-62.9-49.9172.6-75169000111.4A6 A7 E8 L12 S13 E14A6-L10 WeakPolarHBondContact O-CB 3.38Å; A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.36Å; A6-L10 PolarHBondContact O-N 3.06Å; A7-L10 PolarHBondContact O-N 3.35Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 3.28Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.29Å; L10-S13 WeakPolarHBondContact O-CA 3.45Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 PolarHBondContact O-OG 3.39Å; L10-E14 PolarHBondContact O-N 2.85Å
11A82.3Confident77.9Confident45 Ų4574.5 Ų74.537%0.37239%0.385SS..Hα-helixtrans-62-35.3178.400000113.3A7 E8 R15A7-A11 WeakPolarHBondContact O-CB 3.43Å; A7-A11 PolarHBondContact O-N 3.35Å; E8-A11 PolarHBondContact O-N 2.88Å; A11-R15 WeakPolarHBondContact O-CB 3.41Å; A11-R15 WeakPolarHBondContact O-CD 3.32Å; A11-R15 WeakPolarHBondContact O-CG 3.25Å; A11-R15 PolarHBondContact O-N 2.83Å; A11-R15 VanDerWaalsContact O-N 3.1Å
12L83.4Confident79.9Confident34 Ų3472.8 Ų72.818%0.17837%0.373CS..Hα-helixtrans-64.9-39.7171.5-73.2169.6000111.5E8 L10 R15 L16 L31 K34 A36E8-L12 WeakPolarHBondContact O-CB 3.49Å; E8-L12 VanDerWaalsContact O-CG 3.3Å; E8-L12 WeakPolarHBondContact O-CG 3.22Å; E8-L12 PolarHBondContact O-N 3.11Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.29Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-L16 PolarHBondContact O-N 3.49Å; L12-L31 HydrophobicContact CD2-CD2 3.62Å; L12-K34 HydrophobicContact CD1-CB 4.48Å; L12-A36 HydrophobicContact CB-CB 4.02Å
13S82.1Confident81.3Confident4 Ų471.6 Ų71.63%0.02837%0.369CS..Hα-helixtrans-72-35.5178.977.80000113.7V9 L10 L16 L17 K37 A39V9-S13 WeakPolarHBondContact O-CB 3.5Å; V9-S13 PolarHBondContact O-N 2.86Å; V9-S13 PolarHBondContact O-OG 3.38Å; L10-S13 WeakPolarHBondContact O-CA 3.45Å; L10-S13 PolarHBondContact O-N 2.92Å; L10-S13 PolarHBondContact O-OG 3.39Å; S13-L16 WeakPolarHBondContact O-CB 3.41Å; S13-L16 PolarHBondContact O-N 2.81Å; S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.37Å; S13-K37 VanDerWaalsContact CB-O 3.29Å; S13-K37 WeakPolarHBondContact CB-O 3.28Å; S13-A39 VanDerWaalsContact CB-CB 3.43Å; S13-A39 WeakPolarHBondContact OG-CB 3.3Å
14E85.3Confident82.9Confident129 Ų12966.9 Ų66.960%0.60335%0.347SS*.Hα-helixtrans-65.3-41.4170.1-69.6-164.7148.400111.5L10 L16 L17 I18L10-E14 PolarHBondContact O-N 2.85Å; E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 3.39Å; E14-L17 PolarHBondContact O-N 2.88Å; E14-I18 WeakPolarHBondContact O-CG1 3.42Å; E14-I18 PolarHBondContact O-N 3.22Å
15R88.4Confident84.4Confident165 Ų16560.9 Ų60.962%0.62332%0.322SS*.Hα-helixtrans-61.3-36.8173.3-73.9169.21211681.1111.6A11 L12 I18 A19 L31A11-R15 WeakPolarHBondContact O-CB 3.41Å; A11-R15 WeakPolarHBondContact O-CD 3.32Å; A11-R15 WeakPolarHBondContact O-CG 3.25Å; A11-R15 PolarHBondContact O-N 2.83Å; A11-R15 VanDerWaalsContact O-N 3.1Å; L12-R15 PolarHBondContact O-N 3.41Å; R15-I18 PolarHBondContact O-N 2.9Å; R15-A19 VanDerWaalsContact O-CB 3.28Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 2.92Å; R15-L31 HydrophobicContact CB-CD1 3.93Å; R15-L31 HydrophobicContact CB-CD2 4.08Å
16L89.8Confident85.7Confident2 Ų263.5 Ų63.51%0.0134%0.337CS..Hα-helixtrans-64.3-47.3175.3-178.964.4000110.9L12 S13 E14 I18 A19 S20 V28 L31 I32 A36 P47L12-L16 PolarHBondContact O-N 3.49Å; S13-L16 WeakPolarHBondContact O-CB 3.41Å; S13-L16 PolarHBondContact O-N 2.81Å; E14-L16 VanDerWaalsContact C-N 3.27Å; E14-L16 PolarHBondContact O-N 3.39Å; L16-I18 VanDerWaalsContact C-N 3.32Å; L16-I18 PolarHBondContact O-N 3.34Å; L16-A19 PolarHBondContact O-N 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.2Å; L16-S20 PolarHBondContact O-N 3.21Å; L16-S20 PolarHBondContact O-OG 3.1Å; L16-V28 HydrophobicContact CD1-CB 4.33Å; L16-V28 HydrophobicContact CD1-CG1 3.93Å; L16-V28 HydrophobicContact CD1-CG2 4.25Å; L16-L31 HydrophobicContact CB-CD1 4.32Å; L16-L31 HydrophobicContact CD1-CB 4.22Å; L16-I32 HydrophobicContact CD1-CG1 4.21Å; L16-A36 HydrophobicContact CB-CB 4.46Å; L16-A36 HydrophobicContact CD2-CB 4.15Å; L16-P47 HydrophobicContact CD2-CG 3.93Å; L16-P47 HydrophobicContact CG-CB 4.25Å; L16-P47 HydrophobicContact CG-CG 3.94Å
17L89.3Confident86.8Confident15 Ų1564.5 Ų64.58%0.07934%0.336CS..Hα-helixtrans-56.8-43.6174.7-71.5165.1000112.2S13 E14 H21 A39 T41 P47 L50S13-L17 WeakPolarHBondContact O-CG 3.37Å; S13-L17 PolarHBondContact O-N 3.37Å; E14-L17 PolarHBondContact O-N 2.88Å; L17-H21 WeakPolarHBondContact O-CB 3.3Å; L17-H21 PolarHBondContact O-N 2.79Å; L17-A39 HydrophobicContact CD1-CB 4.48Å; L17-T41 HydrophobicContact CD1-CG2 3.98Å; L17-T41 HydrophobicContact CD2-CG2 4.02Å; L17-T41 HydrophobicContact CG-CG2 4.48Å; L17-P47 HydrophobicContact CD2-CB 4.22Å; L17-P47 HydrophobicContact CD2-CG 3.71Å; L17-P47 HydrophobicContact CG-CG 4.21Å; L17-L50 HydrophobicContact CB-CD1 4.1Å; L17-L50 HydrophobicContact CD2-CD1 3.72Å; L17-L50 WeakPolarHBondContact O-CD1 3.41Å
18I90Very high87.6Confident90 Ų9061.8 Ų61.846%0.46231%0.313SS..Hα-helixtrans-67.8-43.8177.6-66.2165.7000111.5E14 R15 L16 H21 K22E14-I18 WeakPolarHBondContact O-CG1 3.42Å; E14-I18 PolarHBondContact O-N 3.22Å; R15-I18 PolarHBondContact O-N 2.9Å; L16-I18 VanDerWaalsContact C-N 3.32Å; L16-I18 PolarHBondContact O-N 3.34Å; I18-H21 PolarHBondContact O-N 2.87Å; I18-K22 HydrophobicContact CG2-CD 4.04Å; I18-K22 WeakPolarHBondContact O-CB 3.37Å; I18-K22 WeakPolarHBondContact O-CG 3.41Å; I18-K22 PolarHBondContact O-N 3.33Å
19A92.1Very high88.2Confident3 Ų358 Ų583%0.02530%0.299CS..Hα-helixtrans-64-43.8178.800000111.4R15 L16 K22 G23 Q24 N27 V28 L31R15-A19 VanDerWaalsContact O-CB 3.28Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 2.92Å; L16-A19 PolarHBondContact O-N 3.31Å; A19-K22 CarbonylContact O-C 3.57Å; A19-K22 PolarHBondContact O-N 3.46Å; A19-G23 PolarHBondContact O-N 2.83Å; A19-Q24 HydrophobicContact CB-CB 4.39Å; A19-Q24 PolarHBondContact O-N 3.07Å; A19-N27 HydrophobicContact CB-CB 4.16Å; A19-V28 HydrophobicContact CB-CG2 3.77Å; A19-L31 HydrophobicContact CB-CD1 4.21Å
20S91.7Very high88.9Confident0 Ų061.2 Ų61.20%031%0.312CS..Hα-helixtrans-67.6-34.2177.1-63.90000113.2L16 P47 H56L16-S20 WeakPolarHBondContact O-CB 3.2Å; L16-S20 PolarHBondContact O-N 3.21Å; L16-S20 PolarHBondContact O-OG 3.1Å; S20-P47 WeakPolarHBondContact OG-CB 3.22Å; S20-H56 PolarHBondContact O-CD2 3.3Å; S20-H56 VanDerWaalsContact O-CD2 3.28Å
21H91.8Very high89.5Confident87 Ų8757 Ų5740%0.40329%0.29SS..Hα-helixtrans-68.4-34.7171179.5-89.4000112.6L17 I18 L50 K54 H56L17-H21 WeakPolarHBondContact O-CB 3.3Å; L17-H21 PolarHBondContact O-N 2.79Å; I18-H21 PolarHBondContact O-N 2.87Å; H21-L50 HydrophobicContact CB-CB 4.22Å; H21-L50 HydrophobicContact CB-CD1 4.33Å; H21-K54 WeakPolarHBondContact NE2-CE 3.48Å; H21-H56 PolarHBondContact O-NE2 3.05Å
22K92.4Very high89.6Confident131 Ų13157 Ų5757%0.5728%0.283SS*.Hα-helixtrans-82.4-14.6179-73.4-179.9178.8179.80114.4I18 A19 Q24I18-K22 HydrophobicContact CG2-CD 4.04Å; I18-K22 WeakPolarHBondContact O-CB 3.37Å; I18-K22 WeakPolarHBondContact O-CG 3.41Å; I18-K22 PolarHBondContact O-N 3.33Å; A19-K22 CarbonylContact O-C 3.57Å; A19-K22 PolarHBondContact O-N 3.46Å; K22-Q24 HydrophobicContact CB-CG 3.99Å
23G92.4Very high89.8Confident25 Ų2561.6 Ų61.626%0.25831%0.308SS..THydrogen-bonded Turntrans8318.4-178.100000114.6A19 A25 H56A19-G23 PolarHBondContact O-N 2.83Å; G23-A25 PolarHBondContact O-N 2.73Å; G23-H56 VanDerWaalsContact CA-CD2 3.43Å; G23-H56 WeakPolarHBondContact CA-CD2 3.44Å; G23-H56 VanDerWaalsContact CA-CG 3.43Å; G23-H56 PolarHBondContact N-CD2 2.88Å; G23-H56 PolarHBondContact N-NE2 3.35Å
24Q93.9Very high89.9Confident83 Ų8367.8 Ų67.839%0.38833%0.334SS..  trans-82.880.4-173.4-65.6-176.4-3600111.6A19 K22 D26 N27 V28A19-Q24 HydrophobicContact CB-CB 4.39Å; A19-Q24 PolarHBondContact O-N 3.07Å; K22-Q24 HydrophobicContact CB-CG 3.99Å; Q24-D26 PolarHBondContact O-N 3.42Å; Q24-N27 HydrophobicContact CB-CB 3.97Å; Q24-N27 PolarHBondContact O-N 3.28Å; Q24-N27 PolarHBondContact OE1-ND2 2.9Å; Q24-V28 WeakPolarHBondContact O-CG2 3.28Å; Q24-V28 PolarHBondContact O-N 3.31Å
25A92.6Very high89.5Confident22 Ų2263.9 Ų63.918%0.18233%0.329CS..Hα-helixtrans-49.6-51.1-176.200000113.8G23 N27 V28 V29 V59 I62G23-A25 PolarHBondContact O-N 2.73Å; A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 2.92Å; A25-V28 WeakPolarHBondContact O-CB 3.37Å; A25-V28 PolarHBondContact O-N 3.2Å; A25-V28 VanDerWaalsContact O-N 3.1Å; A25-V29 PolarHBondContact O-N 3.01Å; A25-V59 HydrophobicContact CB-CG2 4.45Å; A25-I62 HydrophobicContact CB-CD1 3.77Å
26D92.2Very high88.9Confident120 Ų12056.6 Ų56.664%0.64230%0.303SS*.Hα-helixtrans-63.9-39.9-176.7-43.7-63.8000112.1Q24 V28 V29 Q30Q24-D26 PolarHBondContact O-N 3.42Å; D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V29 PolarHBondContact O-N 2.82Å; D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 2.9Å
27N91.1Very high88Confident65 Ų6563 Ų6335%0.34833%0.331SS..Hα-helixtrans-66.2-37.3175.4-69.8-14.9000111.3A19 Q24 A25 Q30 L31A19-N27 HydrophobicContact CB-CB 4.16Å; Q24-N27 HydrophobicContact CB-CB 3.97Å; Q24-N27 PolarHBondContact O-N 3.28Å; Q24-N27 PolarHBondContact OE1-ND2 2.9Å; A25-N27 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 2.92Å; N27-Q30 PolarHBondContact O-N 3.06Å; N27-L31 WeakPolarHBondContact O-CB 3.25Å; N27-L31 WeakPolarHBondContact O-CD1 3.44Å; N27-L31 WeakPolarHBondContact O-CG 3.34Å; N27-L31 PolarHBondContact O-N 3.28Å
28V90.4Very high86.9Confident0 Ų065.1 Ų65.10%034%0.344CS..Hα-helixtrans-63.1-46.7174.9169.40000110.4L16 A19 Q24 A25 D26 Q30 L31 I32 V59 I62 L63L16-V28 HydrophobicContact CD1-CB 4.33Å; L16-V28 HydrophobicContact CD1-CG1 3.93Å; L16-V28 HydrophobicContact CD1-CG2 4.25Å; A19-V28 HydrophobicContact CB-CG2 3.77Å; Q24-V28 WeakPolarHBondContact O-CG2 3.28Å; Q24-V28 PolarHBondContact O-N 3.31Å; A25-V28 WeakPolarHBondContact O-CB 3.37Å; A25-V28 PolarHBondContact O-N 3.2Å; A25-V28 VanDerWaalsContact O-N 3.1Å; D26-V28 VanDerWaalsContact C-N 3.34Å; V28-Q30 PolarHBondContact O-N 3.38Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-I32 HydrophobicContact CG1-CD1 3.68Å; V28-I32 HydrophobicContact CG1-CG1 4.49Å; V28-I32 WeakPolarHBondContact O-CD1 3.36Å; V28-I32 VanDerWaalsContact O-CG1 3.26Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.26Å; V28-V59 HydrophobicContact CG1-CG1 4.43Å; V28-V59 HydrophobicContact CG2-CG1 4.13Å; V28-V59 HydrophobicContact CG2-CG2 4.28Å; V28-I62 HydrophobicContact CG1-CG2 3.82Å; V28-L63 HydrophobicContact CG1-CD2 4.26Å; V28-L63 HydrophobicContact CG1-CG 4.44Å
29V89.9Confident85.9Confident55 Ų5562 Ų6233%0.33333%0.332SS..Hα-helixtrans-58.9-48.8174.51770000111.3A25 D26 L31 I32 N33 I62A25-V29 PolarHBondContact O-N 3.01Å; D26-V29 PolarHBondContact O-N 2.82Å; V29-L31 VanDerWaalsContact C-N 3.29Å; V29-L31 PolarHBondContact O-N 2.94Å; V29-I32 PolarHBondContact O-N 3.47Å; V29-N33 WeakPolarHBondContact O-CB 3.24Å; V29-N33 VanDerWaalsContact O-CG 3.24Å; V29-N33 PolarHBondContact O-N 3.39Å; V29-N33 PolarHBondContact O-OD1 2.61Å; V29-I62 HydrophobicContact CG2-CD1 3.85Å; V29-I62 HydrophobicContact CG2-CG1 4.15Å; V29-I62 HydrophobicContact CG2-CG2 3.77Å
30Q89.3Confident85.1Confident103 Ų10365.7 Ų65.748%0.48136%0.355SS..Hα-helixtrans-62.3-32.9179.7-73.2-177.729.800113.6D26 N27 V28 K34D26-Q30 WeakPolarHBondContact O-CG 3.44Å; D26-Q30 PolarHBondContact O-N 2.9Å; N27-Q30 PolarHBondContact O-N 3.06Å; V28-Q30 PolarHBondContact O-N 3.38Å; Q30-K34 WeakPolarHBondContact O-CD 3.18Å; Q30-K34 VanDerWaalsContact O-CG 3.23Å; Q30-K34 WeakPolarHBondContact O-CG 3.25Å; Q30-K34 PolarHBondContact O-N 3.14Å
31L88.6Confident84.4Confident20 Ų2067.4 Ų67.411%0.10537%0.365CS..Hα-helixtrans-77.4-41.3178.8-71.6165.8000111.6L12 R15 L16 A19 N27 V28 V29 K34 A36L12-L31 HydrophobicContact CD2-CD2 3.62Å; R15-L31 HydrophobicContact CB-CD1 3.93Å; R15-L31 HydrophobicContact CB-CD2 4.08Å; L16-L31 HydrophobicContact CB-CD1 4.32Å; L16-L31 HydrophobicContact CD1-CB 4.22Å; A19-L31 HydrophobicContact CB-CD1 4.21Å; N27-L31 WeakPolarHBondContact O-CB 3.25Å; N27-L31 WeakPolarHBondContact O-CD1 3.44Å; N27-L31 WeakPolarHBondContact O-CG 3.34Å; N27-L31 PolarHBondContact O-N 3.28Å; V28-L31 PolarHBondContact O-N 3.19Å; V29-L31 VanDerWaalsContact C-N 3.29Å; V29-L31 PolarHBondContact O-N 2.94Å; L31-K34 PolarHBondContact O-N 3.47Å; L31-K34 VanDerWaalsContact O-N 3.14Å; L31-A36 HydrophobicContact CB-CB 4.21Å; L31-A36 WeakPolarHBondContact O-CB 3.38Å; L31-A36 PolarHBondContact O-N 3.08Å; L31-A36 VanDerWaalsContact O-N 3.12Å
32I85.8Confident83.5Confident44 Ų4471.3 Ų71.323%0.22638%0.381CS..Hα-helixtrans-60.5-47.2173.7-67163.9000110.2L16 V28 V29 K34 G35 I62 L63 A66L16-I32 HydrophobicContact CD1-CG1 4.21Å; V28-I32 HydrophobicContact CG1-CD1 3.68Å; V28-I32 HydrophobicContact CG1-CG1 4.49Å; V28-I32 WeakPolarHBondContact O-CD1 3.36Å; V28-I32 VanDerWaalsContact O-CG1 3.26Å; V28-I32 WeakPolarHBondContact O-CG1 3.4Å; V28-I32 PolarHBondContact O-N 3.26Å; V29-I32 PolarHBondContact O-N 3.47Å; I32-K34 PolarHBondContact O-N 2.86Å; I32-K34 VanDerWaalsContact O-N 3.13Å; I32-G35 PolarHBondContact O-N 3.26Å; I32-I62 HydrophobicContact CD1-CG2 3.76Å; I32-L63 HydrophobicContact CD1-CD2 4.16Å; I32-A66 HydrophobicContact CD1-CB 4.09Å; I32-A66 HydrophobicContact CG2-CB 3.96Å
33N86.3Confident82.8Confident131 Ų13170.6 Ų70.670%0.70138%0.375SS*.THydrogen-bonded Turntrans-64.1-17.8177.8-68.6-1.7000113.4V29 G35V29-N33 WeakPolarHBondContact O-CB 3.24Å; V29-N33 VanDerWaalsContact O-CG 3.24Å; V29-N33 PolarHBondContact O-N 3.39Å; V29-N33 PolarHBondContact O-OD1 2.61Å; N33-G35 VanDerWaalsContact C-N 3.34Å
34K84.6Confident82.3Confident134 Ų13470.1 Ų70.158%0.58337%0.37SS*.THydrogen-bonded Turntrans-91.511.3172.3-73.5172-177.5175.80113.3L12 Q30 L31 I32L12-K34 HydrophobicContact CD1-CB 4.48Å; Q30-K34 WeakPolarHBondContact O-CD 3.18Å; Q30-K34 VanDerWaalsContact O-CG 3.23Å; Q30-K34 WeakPolarHBondContact O-CG 3.25Å; Q30-K34 PolarHBondContact O-N 3.14Å; L31-K34 PolarHBondContact O-N 3.47Å; L31-K34 VanDerWaalsContact O-N 3.14Å; I32-K34 PolarHBondContact O-N 2.86Å; I32-K34 VanDerWaalsContact O-N 3.13Å
35G75.9Confident82Confident47 Ų4769.8 Ų69.849%0.48537%0.365SS..THydrogen-bonded Turntrans75.523177.700000114.5I32 N33 K37I32-G35 PolarHBondContact O-N 3.26Å; N33-G35 VanDerWaalsContact C-N 3.34Å; G35-K37 PolarHBondContact O-N 2.7Å
36A76Confident81.9Confident11 Ų1168.8 Ų68.89%0.09136%0.357CS..  trans-60.5109.7174.500000110.5L12 L16 L31L12-A36 HydrophobicContact CB-CB 4.02Å; L16-A36 HydrophobicContact CB-CB 4.46Å; L16-A36 HydrophobicContact CD2-CB 4.15Å; L31-A36 HydrophobicContact CB-CB 4.21Å; L31-A36 WeakPolarHBondContact O-CB 3.38Å; L31-A36 PolarHBondContact O-N 3.08Å; L31-A36 VanDerWaalsContact O-N 3.12Å
37K72.5Confident81.9Confident136 Ų13663 Ų6359%0.59133%0.326SS*.  trans-65.8152.2176.1-67-174.7178.6-179.10110.8V9 S13 G35 A39V9-K37 HydrophobicContact CG1-CB 4.35Å; V9-K37 HydrophobicContact CG1-CD 4.12Å; V9-K37 HydrophobicContact CG1-CG 4.06Å; S13-K37 VanDerWaalsContact CB-O 3.29Å; S13-K37 WeakPolarHBondContact CB-O 3.28Å; G35-K37 PolarHBondContact O-N 2.7Å; K37-A39 PolarHBondContact O-N 3.38Å
38V66.1Low81.9Confident60 Ų6060.1 Ų60.136%0.36431%0.31SS..  trans-7277.6177.4-172.80000109.9I72V38-I72 HydrophobicContact CG1-CD1 4.24Å
39A68Low82.1Confident25 Ų2560.2 Ų60.221%0.20731%0.311CS..PPolyproline II helixtrans-73.8154.8174.600000111.8S13 L17 K37S13-A39 VanDerWaalsContact CB-CB 3.43Å; S13-A39 WeakPolarHBondContact OG-CB 3.3Å; L17-A39 HydrophobicContact CD1-CB 4.48Å; K37-A39 PolarHBondContact O-N 3.38Å
40V74.9Confident82.2Confident81 Ų8158.6 Ų58.649%0.49130%0.301SS..PPolyproline II helixtrans-101.3142.5172.1-670000110.2G44 R45V40-G44 WeakPolarHBondContact CB-O 3.23Å; V40-G44 WeakPolarHBondContact CG1-O 3.5Å; V40-R45 WeakPolarHBondContact CA-O 3.15Å
41T77.7Confident82.4Confident36 Ų3653.7 Ų53.722%0.22128%0.278CS..PPolyproline II helixtrans-62.1168.9166.4620000111.2L17 Y43 G44 R45 L50L17-T41 HydrophobicContact CD1-CG2 3.98Å; L17-T41 HydrophobicContact CD2-CG2 4.02Å; L17-T41 HydrophobicContact CG-CG2 4.48Å; T41-Y43 PolarHBondContact O-N 2.97Å; T41-Y43 PolarHBondContact OG1-N 3.2Å; T41-G44 PolarHBondContact O-N 3.46Å; T41-R45 HydrophobicContact CG2-CB 4.41Å; T41-R45 PolarHBondContact N-O 3.02Å; T41-R45 WeakPolarHBondContact OG1-CB 3.28Å; T41-R45 PolarHBondContact OG1-N 3.34Å; T41-R45 PolarHBondContact OG1-O 3.47Å; T41-L50 HydrophobicContact CG2-CD1 4.22Å
42K72.5Confident82.7Confident169 Ų16952.8 Ų52.874%0.73527%0.273SS*.THydrogen-bonded Turntrans-56.69.316567.8163.7-175.7168.20116.8
43Y77.3Confident83Confident116 Ų11654 Ų5446%0.45528%0.277SS..THydrogen-bonded Turntrans-131.725.4175.2-58.6-58000111.5T41 R45 D75T41-Y43 PolarHBondContact O-N 2.97Å; T41-Y43 PolarHBondContact OG1-N 3.2Å; Y43-R45 PolarHBondContact O-N 2.92Å; Y43-D75 VanDerWaalsContact CA-CG 3.44Å; Y43-D75 WeakPolarHBondContact CA-OD2 3.39Å; Y43-D75 PolarHBondContact O-N 3.14Å; Y43-D75 VanDerWaalsContact O-N 3.08Å
44G83.6Confident83.4Confident14 Ų1452.2 Ų52.214%0.14426%0.263CS..SBendtrans70.5-12-178.600000115.6V40 T41 S46 D75V40-G44 WeakPolarHBondContact CB-O 3.23Å; V40-G44 WeakPolarHBondContact CG1-O 3.5Å; T41-G44 PolarHBondContact O-N 3.46Å; G44-S46 PolarHBondContact O-N 3.12Å; G44-D75 PolarHBondContact N-OD1 2.85Å; G44-D75 VanDerWaalsContact N-OD1 3.08Å
45R87.3Confident83.8Confident76 Ų7647.2 Ų47.229%0.28725%0.25SC..  trans-69120-174.2-66.9171.3-179.2158.94.3112.5V40 T41 Y43 H49 L50 D74 R83V40-R45 WeakPolarHBondContact CA-O 3.15Å; T41-R45 HydrophobicContact CG2-CB 4.41Å; T41-R45 PolarHBondContact N-O 3.02Å; T41-R45 WeakPolarHBondContact OG1-CB 3.28Å; T41-R45 PolarHBondContact OG1-N 3.34Å; T41-R45 PolarHBondContact OG1-O 3.47Å; Y43-R45 PolarHBondContact O-N 2.92Å; R45-H49 HydrophobicContact CB-CB 4Å; R45-H49 HydrophobicContact CG-CB 4.17Å; R45-L50 HydrophobicContact CB-CD2 4.2Å; R45-D74 HydrophobicContact CB-CB 4.4Å; R45-D74 HydrophobicContact CG-CB 3.58Å; R45-D74 WeakPolarHBondContact CG-OD2 3.45Å; R45-D74 IonicContact CZ-OD2 3.46Å; R45-D74 IonicContact NE-OD2 2.66Å; R45-D74 PolarHBondContact NE-OD2 3Å; R45-D74 IonicContact NH2-OD2 3.22Å; R45-R83 VanDerWaalsContact NH2-NH2 3.13Å
46S90.8Very high84.7Confident1 Ų147.5 Ų47.51%0.00724%0.239CC..  trans-75.6170.2166.178.10000112G44 L48 H49 L50G44-S46 PolarHBondContact O-N 3.12Å; S46-L48 PolarHBondContact O-N 2.87Å; S46-H49 PolarHBondContact N-ND1 2.74Å; S46-H49 WeakPolarHBondContact O-CB 3.33Å; S46-H49 PolarHBondContact O-N 3.37Å; S46-H49 VanDerWaalsContact O-N 3.15Å; S46-H49 PolarHBondContact OG-ND1 2.8Å; S46-L50 PolarHBondContact O-N 2.85Å
47P90.8Very high85.6Confident0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-59.7-31.5178.1-19.531.3000112.9L16 L17 S20 L50 A51 L63L16-P47 HydrophobicContact CD2-CG 3.93Å; L16-P47 HydrophobicContact CG-CB 4.25Å; L16-P47 HydrophobicContact CG-CG 3.94Å; L17-P47 HydrophobicContact CD2-CB 4.22Å; L17-P47 HydrophobicContact CD2-CG 3.71Å; L17-P47 HydrophobicContact CG-CG 4.21Å; S20-P47 WeakPolarHBondContact OG-CB 3.22Å; P47-L50 PolarHBondContact O-N 2.94Å; P47-A51 PolarHBondContact O-N 3.12Å; P47-L63 HydrophobicContact CB-CD1 4.05Å; P47-L63 HydrophobicContact CB-CD2 4.23Å
48L92.5Very high86.6Confident3 Ų346.8 Ų46.82%0.01624%0.237CC..Hα-helixtrans-64.6-40177.8-169.767.2000111.7S46 L50 A51 A52 V60 L63 L64 L70 A80 L96S46-L48 PolarHBondContact O-N 2.87Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.33Å; L48-A51 PolarHBondContact O-N 3.47Å; L48-A52 WeakPolarHBondContact O-CB 3.36Å; L48-A52 PolarHBondContact O-N 2.83Å; L48-V60 HydrophobicContact CD1-CG1 4.12Å; L48-V60 HydrophobicContact CD1-CG2 4.43Å; L48-L63 HydrophobicContact CB-CD1 4.24Å; L48-L63 HydrophobicContact CD1-CB 3.98Å; L48-L63 HydrophobicContact CD1-CD1 4.14Å; L48-L64 HydrophobicContact CD1-CD2 4.23Å; L48-L64 HydrophobicContact CD1-CG 4.48Å; L48-L64 HydrophobicContact CD2-CD2 4.39Å; L48-L70 HydrophobicContact CD2-CD2 3.93Å; L48-A80 HydrophobicContact CB-CB 4.4Å; L48-A80 HydrophobicContact CD2-CB 3.76Å; L48-A80 HydrophobicContact CG-CB 3.73Å; L48-L96 HydrophobicContact CD2-CD2 4.2Å
49H93.1Very high87.9Confident2 Ų244 Ų441%0.00922%0.22CC..Hα-helixtrans-61-41.4174-68.478.2000111.9R45 S46 H53 I72 D74 Q78 T79 A80 R83R45-H49 HydrophobicContact CB-CB 4Å; R45-H49 HydrophobicContact CG-CB 4.17Å; S46-H49 PolarHBondContact N-ND1 2.74Å; S46-H49 WeakPolarHBondContact O-CB 3.33Å; S46-H49 PolarHBondContact O-N 3.37Å; S46-H49 VanDerWaalsContact O-N 3.15Å; S46-H49 PolarHBondContact OG-ND1 2.8Å; H49-H53 WeakPolarHBondContact O-CB 3.18Å; H49-H53 PolarHBondContact O-N 2.94Å; H49-I72 PolarHBondContact CE1-O 2.86Å; H49-I72 PolarHBondContact NE2-O 3.43Å; H49-I72 VanDerWaalsContact NE2-O 3.14Å; H49-D74 IonicContact CD2-OD2 3.92Å; H49-Q78 PolarHBondContact CD2-O 2.87Å; H49-Q78 PolarHBondContact NE2-O 3.39Å; H49-T79 VanDerWaalsContact NE2-C 3.32Å; H49-T79 WeakPolarHBondContact NE2-CA 3.35Å; H49-A80 PolarHBondContact NE2-N 2.93Å; H49-R83 HydrophobicContact CB-CG 4.22Å
50L92.2Very high89.2Confident22 Ų2242.9 Ų42.912%0.11521%0.21CC..Hα-helixtrans-70.4-43-179-59.4178.3000111.4L17 H21 T41 R45 S46 P47 L48 K54L17-L50 HydrophobicContact CB-CD1 4.1Å; L17-L50 HydrophobicContact CD2-CD1 3.72Å; L17-L50 WeakPolarHBondContact O-CD1 3.41Å; H21-L50 HydrophobicContact CB-CB 4.22Å; H21-L50 HydrophobicContact CB-CD1 4.33Å; T41-L50 HydrophobicContact CG2-CD1 4.22Å; R45-L50 HydrophobicContact CB-CD2 4.2Å; S46-L50 PolarHBondContact O-N 2.85Å; P47-L50 PolarHBondContact O-N 2.94Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.33Å; L50-K54 WeakPolarHBondContact O-CB 3.45Å; L50-K54 WeakPolarHBondContact O-CG 3.45Å; L50-K54 PolarHBondContact O-N 3.09Å; L50-K54 VanDerWaalsContact O-N 3.17Å
51A93.9Very high90.1Very high0 Ų044.4 Ų44.40%021%0.207CC..Hα-helixtrans-65.2-45.517600000112P47 L48 K54 G55 H56 V59 V60 L63P47-A51 PolarHBondContact O-N 3.12Å; L48-A51 PolarHBondContact O-N 3.47Å; A51-K54 PolarHBondContact O-N 3.23Å; A51-K54 VanDerWaalsContact O-N 3.17Å; A51-G55 PolarHBondContact O-N 3.06Å; A51-H56 HydrophobicContact CB-CB 4.4Å; A51-H56 PolarHBondContact O-N 2.88Å; A51-H56 VanDerWaalsContact O-N 3.12Å; A51-V59 HydrophobicContact CB-CB 4.19Å; A51-V59 HydrophobicContact CB-CG1 3.57Å; A51-V60 HydrophobicContact CB-CG2 3.72Å; A51-L63 HydrophobicContact CB-CD1 4.29Å
52A94.1Very high90.8Very high0 Ų044.1 Ų44.10%020%0.204CC..Hα-helixtrans-60.4-45.5177.400000112.6L48 K54 G55 R83 A84 N89 I92L48-A52 WeakPolarHBondContact O-CB 3.36Å; L48-A52 PolarHBondContact O-N 2.83Å; A52-K54 PolarHBondContact O-N 3.38Å; A52-G55 PolarHBondContact O-N 3.47Å; A52-R83 HydrophobicContact CB-CB 4.38Å; A52-A84 HydrophobicContact CB-CB 4.23Å; A52-N89 PolarHBondContact O-ND2 3.42Å; A52-I92 HydrophobicContact CB-CG2 4.12Å
53H93.8Very high91.7Very high69 Ų6936.1 Ų36.132%0.31917%0.169SC..Hα-helixtrans-69.5-17.4177.2-175.754.2000113.9H49 R83H49-H53 WeakPolarHBondContact O-CB 3.18Å; H49-H53 PolarHBondContact O-N 2.94Å; H53-R83 HydrophobicContact CB-CB 4.18Å
54K93.3Very high92.3Very high95 Ų9531.1 Ų31.141%0.41315%0.15SC..Hα-helixtrans-103.9-5.5178.6-67.4-53.6-171.9-164.50115.1H21 L50 A51 A52 H56H21-K54 WeakPolarHBondContact NE2-CE 3.48Å; L50-K54 WeakPolarHBondContact O-CB 3.45Å; L50-K54 WeakPolarHBondContact O-CG 3.45Å; L50-K54 PolarHBondContact O-N 3.09Å; L50-K54 VanDerWaalsContact O-N 3.17Å; A51-K54 PolarHBondContact O-N 3.23Å; A51-K54 VanDerWaalsContact O-N 3.17Å; A52-K54 PolarHBondContact O-N 3.38Å; K54-H56 WeakPolarHBondContact CB-CD2 3.34Å; K54-H56 WeakPolarHBondContact CB-NE2 3.45Å
55G93.1Very high92.6Very high29 Ų2938.5 Ų38.530%0.29918%0.178SC..THydrogen-bonded Turntrans82.713.7179.300000114.6A51 A52 L57 N89A51-G55 PolarHBondContact O-N 3.06Å; A52-G55 PolarHBondContact O-N 3.47Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 3.04Å; G55-N89 VanDerWaalsContact CA-ND2 3.34Å; G55-N89 WeakPolarHBondContact CA-ND2 3.41Å
56H95.3Very high92.6Very high53 Ų5337.2 Ų37.225%0.24518%0.184CC..  trans-80.572.6-175-61.6-46.1000111.9S20 H21 G23 A51 K54 E58 V59 V60S20-H56 PolarHBondContact O-CD2 3.3Å; S20-H56 VanDerWaalsContact O-CD2 3.28Å; H21-H56 PolarHBondContact O-NE2 3.05Å; G23-H56 VanDerWaalsContact CA-CD2 3.43Å; G23-H56 WeakPolarHBondContact CA-CD2 3.44Å; G23-H56 VanDerWaalsContact CA-CG 3.43Å; G23-H56 PolarHBondContact N-CD2 2.88Å; G23-H56 PolarHBondContact N-NE2 3.35Å; A51-H56 HydrophobicContact CB-CB 4.4Å; A51-H56 PolarHBondContact O-N 2.88Å; A51-H56 VanDerWaalsContact O-N 3.12Å; K54-H56 WeakPolarHBondContact CB-CD2 3.34Å; K54-H56 WeakPolarHBondContact CB-NE2 3.45Å; H56-E58 VanDerWaalsContact C-N 3.31Å; H56-E58 PolarHBondContact O-N 3.23Å; H56-V59 HydrophobicContact CB-CB 3.98Å; H56-V59 HydrophobicContact CB-CG2 4.21Å; H56-V59 PolarHBondContact O-N 3.22Å; H56-V59 VanDerWaalsContact O-N 3.17Å; H56-V60 PolarHBondContact O-N 3.24Å
57L93.9Very high92.2Very high42 Ų4240.4 Ų40.422%0.2222%0.217CC..Hα-helixtrans-52-42.8-173.7178.562.2000113.9G55 V60 R61 D91 I92G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 3.04Å; L57-V60 WeakPolarHBondContact O-CB 3.47Å; L57-V60 PolarHBondContact O-N 2.93Å; L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 3.27Å; L57-D91 HydrophobicContact CD1-CB 4.11Å; L57-D91 HydrophobicContact CD2-CB 3.88Å; L57-I92 HydrophobicContact CB-CG1 4.21Å; L57-I92 HydrophobicContact CD1-CG1 3.79Å
58E94.4Very high91.9Very high90 Ų9041.1 Ų41.142%0.42122%0.222SC..Hα-helixtrans-73.3-37-177.5-15854.8-139.100112.1H56 V60 R61 I62H56-E58 VanDerWaalsContact C-N 3.31Å; H56-E58 PolarHBondContact O-N 3.23Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.49Å; E58-R61 PolarHBondContact O-N 3.09Å; E58-R61 VanDerWaalsContact OE2-CD 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.43Å; E58-R61 IonicContact OE2-CZ 3.5Å; E58-R61 IonicContact OE2-NE 3.62Å; E58-R61 IonicContact OE2-NH1 2.59Å; E58-R61 PolarHBondContact OE2-NH1 3.09Å; E58-I62 HydrophobicContact CG-CD1 4.37Å; E58-I62 WeakPolarHBondContact O-CD1 3.43Å; E58-I62 VanDerWaalsContact O-CG1 3.27Å; E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 3.3Å
59V94Very high91.4Very high2 Ų245.4 Ų45.41%0.01225%0.245CC..Hα-helixtrans-60.5-41.6169.5170.20000111A25 V28 A51 H56 I62 L63A25-V59 HydrophobicContact CB-CG2 4.45Å; V28-V59 HydrophobicContact CG1-CG1 4.43Å; V28-V59 HydrophobicContact CG2-CG1 4.13Å; V28-V59 HydrophobicContact CG2-CG2 4.28Å; A51-V59 HydrophobicContact CB-CB 4.19Å; A51-V59 HydrophobicContact CB-CG1 3.57Å; H56-V59 HydrophobicContact CB-CB 3.98Å; H56-V59 HydrophobicContact CB-CG2 4.21Å; H56-V59 PolarHBondContact O-N 3.22Å; H56-V59 VanDerWaalsContact O-N 3.17Å; V59-I62 PolarHBondContact O-N 3.18Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.36Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.41Å; V59-L63 PolarHBondContact O-N 3.36Å
60V94.3Very high91.1Very high0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-58.6-52.1173.9168.90000109.9L48 A51 H56 L57 E58 I62 L63 L64 I92L48-V60 HydrophobicContact CD1-CG1 4.12Å; L48-V60 HydrophobicContact CD1-CG2 4.43Å; A51-V60 HydrophobicContact CB-CG2 3.72Å; H56-V60 PolarHBondContact O-N 3.24Å; L57-V60 WeakPolarHBondContact O-CB 3.47Å; L57-V60 PolarHBondContact O-N 2.93Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 3.49Å; V60-I62 VanDerWaalsContact C-N 3.29Å; V60-I62 PolarHBondContact O-N 3.21Å; V60-L63 PolarHBondContact O-N 3.21Å; V60-L63 VanDerWaalsContact O-N 3.12Å; V60-L64 HydrophobicContact CG1-CD1 3.63Å; V60-L64 HydrophobicContact CG1-CG 4.05Å; V60-L64 WeakPolarHBondContact O-CB 3.46Å; V60-L64 VanDerWaalsContact O-CG 3.23Å; V60-L64 WeakPolarHBondContact O-CG 3.35Å; V60-L64 PolarHBondContact O-N 2.98Å; V60-I92 HydrophobicContact CG1-CG2 4.34Å; V60-I92 HydrophobicContact CG2-CD1 4.15Å; V60-I92 HydrophobicContact CG2-CG1 4.32Å; V60-I92 HydrophobicContact CG2-CG2 4.21Å
61R93.8Very high90.7Very high114 Ų11447 Ų4743%0.4325%0.253SS..Hα-helixtrans-56.9-38.3178.5-72.4166.3170.9-172.2-3113.6L57 E58 K65L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 3.27Å; E58-R61 PolarHBondContact O-N 3.09Å; E58-R61 VanDerWaalsContact OE2-CD 3.24Å; E58-R61 WeakPolarHBondContact OE2-CD 3.43Å; E58-R61 IonicContact OE2-CZ 3.5Å; E58-R61 IonicContact OE2-NE 3.62Å; E58-R61 IonicContact OE2-NH1 2.59Å; E58-R61 PolarHBondContact OE2-NH1 3.09Å; R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 VanDerWaalsContact O-CG 3.29Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 2.89Å
62I92.7Very high90.4Very high29 Ų2948.8 Ų48.815%0.14926%0.262CS..Hα-helixtrans-66.5-46.5176.2-68.3157.5000110.9A25 V28 V29 I32 E58 V59 V60 L64 K65 A66A25-I62 HydrophobicContact CB-CD1 3.77Å; V28-I62 HydrophobicContact CG1-CG2 3.82Å; V29-I62 HydrophobicContact CG2-CD1 3.85Å; V29-I62 HydrophobicContact CG2-CG1 4.15Å; V29-I62 HydrophobicContact CG2-CG2 3.77Å; I32-I62 HydrophobicContact CD1-CG2 3.76Å; E58-I62 HydrophobicContact CG-CD1 4.37Å; E58-I62 WeakPolarHBondContact O-CD1 3.43Å; E58-I62 VanDerWaalsContact O-CG1 3.27Å; E58-I62 WeakPolarHBondContact O-CG1 3.48Å; E58-I62 PolarHBondContact O-N 3.3Å; V59-I62 PolarHBondContact O-N 3.18Å; V60-I62 VanDerWaalsContact C-N 3.29Å; V60-I62 PolarHBondContact O-N 3.21Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 2.92Å; I62-K65 PolarHBondContact O-N 3.43Å; I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.22Å
63L90.6Very high90.2Very high1 Ų152.2 Ų52.21%0.00528%0.279CS..Hα-helixtrans-63.9-38.1177.6-71.1171.8000112.4V28 I32 P47 L48 A51 V59 V60 A66 C68V28-L63 HydrophobicContact CG1-CD2 4.26Å; V28-L63 HydrophobicContact CG1-CG 4.44Å; I32-L63 HydrophobicContact CD1-CD2 4.16Å; P47-L63 HydrophobicContact CB-CD1 4.05Å; P47-L63 HydrophobicContact CB-CD2 4.23Å; L48-L63 HydrophobicContact CB-CD1 4.24Å; L48-L63 HydrophobicContact CD1-CB 3.98Å; L48-L63 HydrophobicContact CD1-CD1 4.14Å; A51-L63 HydrophobicContact CB-CD1 4.29Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.36Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.41Å; V59-L63 PolarHBondContact O-N 3.36Å; V60-L63 PolarHBondContact O-N 3.21Å; V60-L63 VanDerWaalsContact O-N 3.12Å; L63-A66 PolarHBondContact O-N 2.99Å; L63-C68 WeakPolarHBondContact O-CB 3.44Å; L63-C68 PolarHBondContact O-N 2.72Å; L63-C68 PolarHBondContact O-SG 3.34Å
64L91Very high90.1Very high12 Ų1249.3 Ų49.36%0.06327%0.265CS..Hα-helixtrans-64-50.9175.4-68.2176.1000111.4L48 V60 I62 A66 G67 L70 A95 L96 E99L48-L64 HydrophobicContact CD1-CD2 4.23Å; L48-L64 HydrophobicContact CD1-CG 4.48Å; L48-L64 HydrophobicContact CD2-CD2 4.39Å; V60-L64 HydrophobicContact CG1-CD1 3.63Å; V60-L64 HydrophobicContact CG1-CG 4.05Å; V60-L64 WeakPolarHBondContact O-CB 3.46Å; V60-L64 VanDerWaalsContact O-CG 3.23Å; V60-L64 WeakPolarHBondContact O-CG 3.35Å; V60-L64 PolarHBondContact O-N 2.98Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 2.92Å; L64-A66 PolarHBondContact O-N 3.11Å; L64-A66 VanDerWaalsContact O-N 3.15Å; L64-G67 PolarHBondContact O-N 3.2Å; L64-L70 HydrophobicContact CD2-CD2 3.22Å; L64-A95 HydrophobicContact CD1-CB 3.91Å; L64-L96 HydrophobicContact CD2-CD2 4.03Å; L64-E99 HydrophobicContact CB-CG 4.06Å; L64-E99 HydrophobicContact CD1-CG 3.89Å; L64-E99 HydrophobicContact CD2-CB 4.43Å; L64-E99 HydrophobicContact CD2-CG 4.08Å; L64-E99 HydrophobicContact CG-CG 4.2Å
65K90.3Very high89.9Confident169 Ų16949.2 Ų49.274%0.73527%0.269SS*.Hα-helixtrans-59.4-24.5174.5-73.7172.8179177.50113.8R61 I62 G67R61-K65 WeakPolarHBondContact O-CB 3.48Å; R61-K65 VanDerWaalsContact O-CG 3.29Å; R61-K65 WeakPolarHBondContact O-CG 3.27Å; R61-K65 PolarHBondContact O-N 2.89Å; I62-K65 PolarHBondContact O-N 3.43Å; K65-G67 PolarHBondContact O-N 3.46Å
66A86.2Confident89.7Confident49 Ų4948.8 Ų48.841%0.40527%0.265SS..THydrogen-bonded Turntrans-81.23.8175.100000113.9I32 I62 L63 L64I32-A66 HydrophobicContact CD1-CB 4.09Å; I32-A66 HydrophobicContact CG2-CB 3.96Å; I62-A66 WeakPolarHBondContact O-CB 3.25Å; I62-A66 PolarHBondContact O-N 3.22Å; L63-A66 PolarHBondContact O-N 2.99Å; L64-A66 PolarHBondContact O-N 3.11Å; L64-A66 VanDerWaalsContact O-N 3.15Å
67G83.1Confident89.5Confident68 Ų6849.8 Ų49.870%0.70127%0.27SS*.THydrogen-bonded Turntrans71.230.117800000114L64 K65L64-G67 PolarHBondContact O-N 3.2Å; K65-G67 PolarHBondContact O-N 3.46Å
68C83.4Confident89.5Confident15 Ų1549.2 Ų49.210%0.10127%0.266CS..  trans-64.9134.5173.6-67.40000110.9L63 L70L63-C68 WeakPolarHBondContact O-CB 3.44Å; L63-C68 PolarHBondContact O-N 2.72Å; L63-C68 PolarHBondContact O-SG 3.34Å; C68-L70 WeakPolarHBondContact O-CD2 3.38Å; C68-L70 PolarHBondContact O-N 2.72Å
69D83.8Confident89.5Confident93 Ų9345 Ų4550%0.49725%0.247SC..  trans-60.4129.4171177.611.3000111D71 I72D69-D71 PolarHBondContact OD1-N 2.81Å; D69-I72 HydrophobicContact CB-CD1 4.01Å; D69-I72 HydrophobicContact CB-CG1 3.79Å; D69-I72 WeakPolarHBondContact OD2-CG1 3.32Å
70L85.9Confident89.5Confident25 Ų2545 Ų4513%0.13125%0.246CC..SBendtrans-88.4-26-174.5-47.1-177.7000112.2L48 L64 C68 L96 E99 C101L48-L70 HydrophobicContact CD2-CD2 3.93Å; L64-L70 HydrophobicContact CD2-CD2 3.22Å; C68-L70 WeakPolarHBondContact O-CD2 3.38Å; C68-L70 PolarHBondContact O-N 2.72Å; L70-L96 HydrophobicContact CD2-CD2 4.48Å; L70-E99 HydrophobicContact CD1-CB 3.78Å; L70-E99 WeakPolarHBondContact CD1-O 3.49Å; L70-C101 HydrophobicContact CB-CB 3.81Å; L70-C101 HydrophobicContact CD1-CB 3.83Å; L70-C101 HydrophobicContact CG-CB 4.46Å
71D83.9Confident89.5Confident32 Ų3245.1 Ų45.117%0.17125%0.247CC..  trans-96.1-1.1-169.9-99.136.1000112.5D69 Q73 A102 R105D69-D71 PolarHBondContact OD1-N 2.81Å; D71-Q73 PolarHBondContact O-N 2.85Å; D71-A102 VanDerWaalsContact OD1-CB 3.3Å; D71-A102 WeakPolarHBondContact OD1-CB 3.38Å; D71-A102 PolarHBondContact OD1-N 3.4Å; D71-A102 WeakPolarHBondContact OD2-CB 3.41Å; D71-R105 IonicContact OD2-CZ 3.93Å; D71-R105 IonicContact OD2-NE 2.81Å; D71-R105 PolarHBondContact OD2-NE 3.47Å; D71-R105 IonicContact OD2-NH2 3.9Å; D71-R105 PolarHBondContact OD2-NH2 3.22Å
72I87.8Confident89.6Confident37 Ų3739.7 Ų39.719%0.1923%0.227CC..  trans-47.2126.8165.5-57.6177.2000108.6V38 H49 D69 T79V38-I72 HydrophobicContact CG1-CD1 4.24Å; H49-I72 PolarHBondContact CE1-O 2.86Å; H49-I72 PolarHBondContact NE2-O 3.43Å; H49-I72 VanDerWaalsContact NE2-O 3.14Å; D69-I72 HydrophobicContact CB-CD1 4.01Å; D69-I72 HydrophobicContact CB-CG1 3.79Å; D69-I72 WeakPolarHBondContact OD2-CG1 3.32Å; I72-T79 WeakPolarHBondContact O-CA 3.46Å
73Q90.4Very high89.7Confident73 Ų7339.6 Ų39.634%0.34122%0.224SC..  trans-102.8135175.2-68.5180-8500109.9D71 E77 T79 Q106D71-Q73 PolarHBondContact O-N 2.85Å; Q73-E77 PolarHBondContact NE2-O 3.25Å; Q73-T79 HydrophobicContact CG-CG2 3.75Å; Q73-Q106 PolarHBondContact NE2-O 3.31Å
74D90.4Very high89.9Confident8 Ų839.5 Ų39.54%0.04322%0.224CC..  trans-82.3-178.5172.384.513.9000112.9R45 H49 G76 E77 Q78 R83R45-D74 HydrophobicContact CB-CB 4.4Å; R45-D74 HydrophobicContact CG-CB 3.58Å; R45-D74 WeakPolarHBondContact CG-OD2 3.45Å; R45-D74 IonicContact CZ-OD2 3.46Å; R45-D74 IonicContact NE-OD2 2.66Å; R45-D74 PolarHBondContact NE-OD2 3Å; R45-D74 IonicContact NH2-OD2 3.22Å; H49-D74 IonicContact CD2-OD2 3.92Å; D74-G76 PolarHBondContact O-N 3.31Å; D74-G76 PolarHBondContact OD1-N 3.37Å; D74-E77 WeakPolarHBondContact O-CA 3.36Å; D74-E77 PolarHBondContact O-N 3.36Å; D74-Q78 PolarHBondContact N-O 2.91Å; D74-R83 IonicContact OD1-CZ 2.78Å; D74-R83 IonicContact OD1-NH2 3.35Å; D74-R83 PolarHBondContact OD1-NH2 3.45Å; D74-R83 IonicContact OD2-CZ 3.06Å; D74-R83 IonicContact OD2-NE 3.91Å; D74-R83 PolarHBondContact OD2-NE 2.85Å; D74-R83 IonicContact OD2-NH2 3.99Å; D74-R83 PolarHBondContact OD2-NH2 3.06Å
75D89.1Confident90.1Very high92 Ų9239 Ų3949%0.49222%0.221SC..THydrogen-bonded Turntrans-54.2-17.5-179-82.422.5000114.5Y43 G44 E77 K108Y43-D75 VanDerWaalsContact CA-CG 3.44Å; Y43-D75 WeakPolarHBondContact CA-OD2 3.39Å; Y43-D75 PolarHBondContact O-N 3.14Å; Y43-D75 VanDerWaalsContact O-N 3.08Å; G44-D75 PolarHBondContact N-OD1 2.85Å; G44-D75 VanDerWaalsContact N-OD1 3.08Å; D75-E77 VanDerWaalsContact C-N 3.34Å; D75-K108 VanDerWaalsContact O-CE 3.27Å; D75-K108 WeakPolarHBondContact O-CE 3.37Å; D75-K108 PolarHBondContact O-NZ 3.29Å
76G89.3Confident90.3Very high20 Ų2032.7 Ų32.721%0.20620%0.197CC..THydrogen-bonded Turntrans-864.1172.900000115D74 Q78 K108D74-G76 PolarHBondContact O-N 3.31Å; D74-G76 PolarHBondContact OD1-N 3.37Å; G76-Q78 PolarHBondContact O-N 2.83Å; G76-K108 WeakPolarHBondContact O-CB 3.41Å; G76-K108 WeakPolarHBondContact O-CG 3.16Å; G76-K108 PolarHBondContact O-N 2.88Å
77E92.1Very high90.6Very high75 Ų7532.9 Ų32.935%0.3519%0.193SC..SBendtrans58.513.9-158.7-71.6151.6-139.800113Q73 D74 D75 K108Q73-E77 PolarHBondContact NE2-O 3.25Å; D74-E77 WeakPolarHBondContact O-CA 3.36Å; D74-E77 PolarHBondContact O-N 3.36Å; D75-E77 VanDerWaalsContact C-N 3.34Å; E77-K108 HydrophobicContact CB-CG 3.97Å; E77-K108 HydrophobicContact CG-CG 3.86Å; E77-K108 WeakPolarHBondContact OE1-CE 3.34Å; E77-K108 WeakPolarHBondContact OE1-CG 3.43Å
78Q93.3Very high91.1Very high29 Ų2930.3 Ų30.314%0.13617%0.167CC..  trans-90.2123.9-174.7-71.4-178.9-26.800111H49 D74 G76 H82 D107H49-Q78 PolarHBondContact CD2-O 2.87Å; H49-Q78 PolarHBondContact NE2-O 3.39Å; D74-Q78 PolarHBondContact N-O 2.91Å; G76-Q78 PolarHBondContact O-N 2.83Å; Q78-H82 HydrophobicContact CB-CB 3.91Å; Q78-H82 HydrophobicContact CG-CB 4.19Å; Q78-D107 HydrophobicContact CG-CB 3.42Å; Q78-D107 VanDerWaalsContact CG-CB 3.42Å; Q78-D107 PolarHBondContact NE2-OD2 3.49Å
79T94.3Very high91.5Very high3 Ų331.8 Ų31.82%0.01817%0.174CC..  trans-79.4173.8174.567.20000112.7H49 I72 Q73 L81 H82 R83 R105H49-T79 VanDerWaalsContact NE2-C 3.32Å; H49-T79 WeakPolarHBondContact NE2-CA 3.35Å; I72-T79 WeakPolarHBondContact O-CA 3.46Å; Q73-T79 HydrophobicContact CG-CG2 3.75Å; T79-L81 PolarHBondContact O-N 2.81Å; T79-L81 PolarHBondContact OG1-N 3.34Å; T79-H82 PolarHBondContact N-ND1 3.24Å; T79-H82 WeakPolarHBondContact O-CB 3.45Å; T79-H82 PolarHBondContact O-N 2.94Å; T79-H82 PolarHBondContact OG1-ND1 3.43Å; T79-R83 PolarHBondContact O-N 3.46Å; T79-R105 HydrophobicContact CG2-CB 4.16Å; T79-R105 HydrophobicContact CG2-CG 4.26Å
80A93.3Very high92.1Very high1 Ų129.2 Ų29.21%0.00816%0.161CC..Hα-helixtrans-56.6-33173.700000113.3L48 H49 R83 A84 L96L48-A80 HydrophobicContact CB-CB 4.4Å; L48-A80 HydrophobicContact CD2-CB 3.76Å; L48-A80 HydrophobicContact CG-CB 3.73Å; H49-A80 PolarHBondContact NE2-N 2.93Å; A80-R83 PolarHBondContact O-N 2.97Å; A80-A84 PolarHBondContact O-N 3.08Å; A80-L96 HydrophobicContact CB-CD2 4.38Å
81L95.8Very high92.5Very high3 Ų332.6 Ų32.62%0.01618%0.179CC..Hα-helixtrans-65.6-40.9175.3-172.869.1000112T79 A84 A85 I93 L96 L103 A113 L129T79-L81 PolarHBondContact O-N 2.81Å; T79-L81 PolarHBondContact OG1-N 3.34Å; L81-A84 PolarHBondContact O-N 2.93Å; L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.29Å; L81-I93 HydrophobicContact CD1-CG1 4.42Å; L81-I93 HydrophobicContact CD1-CG2 4.23Å; L81-L96 HydrophobicContact CB-CD1 4.41Å; L81-L96 HydrophobicContact CD1-CB 4.07Å; L81-L96 HydrophobicContact CD1-CD1 4.13Å; L81-L103 HydrophobicContact CD2-CD2 3.88Å; L81-A113 HydrophobicContact CB-CB 4.47Å; L81-A113 HydrophobicContact CD2-CB 3.55Å; L81-A113 HydrophobicContact CG-CB 3.62Å; L81-L129 HydrophobicContact CD2-CD2 4.19Å
82H95.6Very high93.1Very high0 Ų031.2 Ų31.20%017%0.172CC..Hα-helixtrans-63.3-43.1173.5-65.981.7000110.9Q78 T79 A84 A85 V86 R105 N111 T112 A113Q78-H82 HydrophobicContact CB-CB 3.91Å; Q78-H82 HydrophobicContact CG-CB 4.19Å; T79-H82 PolarHBondContact N-ND1 3.24Å; T79-H82 WeakPolarHBondContact O-CB 3.45Å; T79-H82 PolarHBondContact O-N 2.94Å; T79-H82 PolarHBondContact OG1-ND1 3.43Å; H82-A84 VanDerWaalsContact C-N 3.29Å; H82-A84 PolarHBondContact O-N 3.2Å; H82-A85 WeakPolarHBondContact O-CB 3.04Å; H82-A85 PolarHBondContact O-N 3.45Å; H82-A85 VanDerWaalsContact O-N 3.15Å; H82-V86 WeakPolarHBondContact O-CG2 3.44Å; H82-V86 PolarHBondContact O-N 3.13Å; H82-R105 PolarHBondContact CE1-O 3.01Å; H82-R105 PolarHBondContact NE2-O 2.78Å; H82-N111 PolarHBondContact NE2-O 3.46Å; H82-T112 VanDerWaalsContact NE2-C 3.29Å; H82-T112 WeakPolarHBondContact NE2-CA 3.42Å; H82-A113 PolarHBondContact NE2-N 2.99Å
83R94.1Very high93.5Very high26 Ų2629.5 Ų29.510%0.09816%0.163CC..Hα-helixtrans-62.6-32.2176.4-69.7-69.1172.4-132.6-10.8113.3R45 H49 A52 H53 D74 T79 A80R45-R83 VanDerWaalsContact NH2-NH2 3.13Å; H49-R83 HydrophobicContact CB-CG 4.22Å; A52-R83 HydrophobicContact CB-CB 4.38Å; H53-R83 HydrophobicContact CB-CB 4.18Å; D74-R83 IonicContact OD1-CZ 2.78Å; D74-R83 IonicContact OD1-NH2 3.35Å; D74-R83 PolarHBondContact OD1-NH2 3.45Å; D74-R83 IonicContact OD2-CZ 3.06Å; D74-R83 IonicContact OD2-NE 3.91Å; D74-R83 PolarHBondContact OD2-NE 2.85Å; D74-R83 IonicContact OD2-NH2 3.99Å; D74-R83 PolarHBondContact OD2-NH2 3.06Å; T79-R83 PolarHBondContact O-N 3.46Å; A80-R83 PolarHBondContact O-N 2.97Å
84A95.1Very high93.8Very high0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-75.9-3917100000112.8A52 A80 L81 H82 V87 G88 I92 I93 L96A52-A84 HydrophobicContact CB-CB 4.23Å; A80-A84 PolarHBondContact O-N 3.08Å; L81-A84 PolarHBondContact O-N 2.93Å; H82-A84 VanDerWaalsContact C-N 3.29Å; H82-A84 PolarHBondContact O-N 3.2Å; A84-V87 PolarHBondContact O-N 3.45Å; A84-G88 PolarHBondContact O-N 3.44Å; A84-I92 HydrophobicContact CB-CB 4.46Å; A84-I92 HydrophobicContact CB-CG2 3.67Å; A84-I93 HydrophobicContact CB-CD1 4.48Å; A84-I93 HydrophobicContact CB-CG1 3.75Å; A84-L96 HydrophobicContact CB-CD1 4.18Å
85A95.6Very high94Very high0 Ų027.7 Ų27.70%016%0.16CC..Hα-helixtrans-61-43.3-179.800000113.2L81 H82 V87 G88 A113 E116 V117 F122L81-A85 VanDerWaalsContact O-CB 3.28Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.29Å; H82-A85 WeakPolarHBondContact O-CB 3.04Å; H82-A85 PolarHBondContact O-N 3.45Å; H82-A85 VanDerWaalsContact O-N 3.15Å; A85-V87 PolarHBondContact O-N 2.91Å; A85-G88 PolarHBondContact O-N 3.05Å; A85-A113 HydrophobicContact CB-CB 4.24Å; A85-E116 HydrophobicContact CB-CB 3.76Å; A85-V117 HydrophobicContact CB-CG1 3.66Å; A85-F122 WeakPolarHBondContact O-CD2 3.47Å; A85-F122 WeakPolarHBondContact O-CE2 3.27Å
86V93.7Very high94.2Very high38 Ų3823.4 Ų23.423%0.2314%0.136CC..THydrogen-bonded Turntrans-58.9-28.8175.4169.20000112.8H82 E116H82-V86 WeakPolarHBondContact O-CG2 3.44Å; H82-V86 PolarHBondContact O-N 3.13Å; V86-E116 HydrophobicContact CG2-CB 4.47Å; V86-E116 HydrophobicContact CG2-CG 4.29Å; V86-E116 WeakPolarHBondContact CG2-OE2 3.45Å
87V92.7Very high94.5Very high52 Ų5224.4 Ų24.432%0.31514%0.137SC..THydrogen-bonded Turntrans-97.3-21.8-178-171.80000112.2A84 A85 N89 F122A84-V87 PolarHBondContact O-N 3.45Å; A85-V87 PolarHBondContact O-N 2.91Å; V87-N89 VanDerWaalsContact CG1-ND2 3.29Å; V87-N89 WeakPolarHBondContact CG1-ND2 3.44Å; V87-F122 WeakPolarHBondContact O-CZ 3.43Å
88G92.8Very high94.6Very high15 Ų1527.8 Ų27.816%0.15515%0.153CC..THydrogen-bonded Turntrans82.318178.100000114.9A84 A85 T90 F122 C125A84-G88 PolarHBondContact O-N 3.44Å; A85-G88 PolarHBondContact O-N 3.05Å; G88-T90 PolarHBondContact O-N 3.31Å; G88-F122 VanDerWaalsContact N-CE2 3.28Å; G88-C125 PolarHBondContact O-SG 3.25Å
89N92.9Very high94.5Very high46 Ų4631.6 Ų31.625%0.24617%0.17CC..  trans-72.489.6-178.3-67.6-39.3000111.3A52 G55 V87 D91 I92 I93A52-N89 PolarHBondContact O-ND2 3.42Å; G55-N89 VanDerWaalsContact CA-ND2 3.34Å; G55-N89 WeakPolarHBondContact CA-ND2 3.41Å; V87-N89 VanDerWaalsContact CG1-ND2 3.29Å; V87-N89 WeakPolarHBondContact CG1-ND2 3.44Å; N89-D91 PolarHBondContact O-N 3.44Å; N89-D91 VanDerWaalsContact O-N 3.11Å; N89-I92 HydrophobicContact CB-CB 4.08Å; N89-I92 HydrophobicContact CB-CD1 4.11Å; N89-I92 HydrophobicContact CB-CG1 4.31Å; N89-I92 PolarHBondContact O-N 2.99Å; N89-I93 WeakPolarHBondContact O-CG1 3.17Å; N89-I93 PolarHBondContact O-N 3.29Å
90T95.3Very high94.2Very high38 Ų3834.4 Ų34.423%0.23320%0.2CC..Hα-helixtrans-48.7-39.7-178.643.80000113.5G88 I93 S94 Q124 C125 L128G88-T90 PolarHBondContact O-N 3.31Å; T90-I93 PolarHBondContact O-N 2.96Å; T90-S94 WeakPolarHBondContact O-CB 3.41Å; T90-S94 PolarHBondContact O-N 2.93Å; T90-Q124 HydrophobicContact CG2-CB 3.99Å; T90-Q124 HydrophobicContact CG2-CG 3.62Å; T90-C125 WeakPolarHBondContact CG2-SG 3.46Å; T90-L128 HydrophobicContact CG2-CD1 4.27Å
91D95.8Very high94Very high97 Ų9734.8 Ų34.852%0.51920%0.202SC..Hα-helixtrans-82.4-32.1-167.1-52-8.2000110.9L57 N89 A95L57-D91 HydrophobicContact CD1-CB 4.11Å; L57-D91 HydrophobicContact CD2-CB 3.88Å; N89-D91 PolarHBondContact O-N 3.44Å; N89-D91 VanDerWaalsContact O-N 3.11Å; D91-A95 WeakPolarHBondContact O-CB 3.39Å; D91-A95 PolarHBondContact O-N 3.45Å
92I95.7Very high93.8Very high3 Ų336.3 Ų36.32%0.01522%0.216CC..Hα-helixtrans-70.5-42.9170.1-69.1178000110A52 L57 V60 A84 N89 S94 A95 L96A52-I92 HydrophobicContact CB-CG2 4.12Å; L57-I92 HydrophobicContact CB-CG1 4.21Å; L57-I92 HydrophobicContact CD1-CG1 3.79Å; V60-I92 HydrophobicContact CG1-CG2 4.34Å; V60-I92 HydrophobicContact CG2-CD1 4.15Å; V60-I92 HydrophobicContact CG2-CG1 4.32Å; V60-I92 HydrophobicContact CG2-CG2 4.21Å; A84-I92 HydrophobicContact CB-CB 4.46Å; A84-I92 HydrophobicContact CB-CG2 3.67Å; N89-I92 HydrophobicContact CB-CB 4.08Å; N89-I92 HydrophobicContact CB-CD1 4.11Å; N89-I92 HydrophobicContact CB-CG1 4.31Å; N89-I92 PolarHBondContact O-N 2.99Å; I92-S94 VanDerWaalsContact C-N 3.3Å; I92-S94 PolarHBondContact O-N 3.23Å; I92-A95 PolarHBondContact O-N 3.32Å; I92-L96 HydrophobicContact CG2-CD1 3.86Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CB 3.21Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 3.21Å
93I96Very high93.7Very high1 Ų137.6 Ų37.61%0.00522%0.222CC..Hα-helixtrans-60.4-42.8173.8-68.5167.8000110L81 A84 N89 T90 L96 I97 V117 C125 L129L81-I93 HydrophobicContact CD1-CG1 4.42Å; L81-I93 HydrophobicContact CD1-CG2 4.23Å; A84-I93 HydrophobicContact CB-CD1 4.48Å; A84-I93 HydrophobicContact CB-CG1 3.75Å; N89-I93 WeakPolarHBondContact O-CG1 3.17Å; N89-I93 PolarHBondContact O-N 3.29Å; T90-I93 PolarHBondContact O-N 2.96Å; I93-L96 PolarHBondContact O-N 2.9Å; I93-I97 HydrophobicContact CG2-CD1 3.67Å; I93-I97 HydrophobicContact CG2-CG1 4.48Å; I93-I97 WeakPolarHBondContact O-CB 3.33Å; I93-I97 WeakPolarHBondContact O-CD1 3.36Å; I93-I97 WeakPolarHBondContact O-CG1 3.4Å; I93-I97 PolarHBondContact O-N 3.05Å; I93-V117 HydrophobicContact CD1-CG1 4.25Å; I93-C125 HydrophobicContact CD1-CB 3.81Å; I93-L129 HydrophobicContact CG2-CD2 4.41Å; I93-L129 HydrophobicContact CG2-CG 4.31Å
94S96.4Very high93.7Very high36 Ų3640.1 Ų40.125%0.25224%0.235SC..Hα-helixtrans-63.7-39.7176-1690000112.6T90 I92 Q98T90-S94 WeakPolarHBondContact O-CB 3.41Å; T90-S94 PolarHBondContact O-N 2.93Å; I92-S94 VanDerWaalsContact C-N 3.3Å; I92-S94 PolarHBondContact O-N 3.23Å; S94-Q98 WeakPolarHBondContact O-CG 3.5Å; S94-Q98 PolarHBondContact O-N 3.24Å
95A95.2Very high93.6Very high7 Ų745 Ų456%0.05825%0.254CS..Hα-helixtrans-66.9-46.1176.500000111.8L64 D91 I92 I97 Q98 E99L64-A95 HydrophobicContact CD1-CB 3.91Å; D91-A95 WeakPolarHBondContact O-CB 3.39Å; D91-A95 PolarHBondContact O-N 3.45Å; I92-A95 PolarHBondContact O-N 3.32Å; A95-I97 VanDerWaalsContact C-N 3.3Å; A95-I97 PolarHBondContact O-N 3.2Å; A95-Q98 WeakPolarHBondContact O-CB 3.34Å; A95-Q98 PolarHBondContact O-N 3.07Å; A95-Q98 VanDerWaalsContact O-N 3.1Å; A95-E99 PolarHBondContact O-N 2.83Å
96L94.4Very high93.5Very high1 Ų148.7 Ų48.71%0.00527%0.271CS..Hα-helixtrans-61.7-36.6176.9-70.6166.8000112.4L48 L64 L70 A80 L81 A84 I92 I93 G100 C101L48-L96 HydrophobicContact CD2-CD2 4.2Å; L64-L96 HydrophobicContact CD2-CD2 4.03Å; L70-L96 HydrophobicContact CD2-CD2 4.48Å; A80-L96 HydrophobicContact CB-CD2 4.38Å; L81-L96 HydrophobicContact CB-CD1 4.41Å; L81-L96 HydrophobicContact CD1-CB 4.07Å; L81-L96 HydrophobicContact CD1-CD1 4.13Å; A84-L96 HydrophobicContact CB-CD1 4.18Å; I92-L96 HydrophobicContact CG2-CD1 3.86Å; I92-L96 HydrophobicContact CG2-CG 4.45Å; I92-L96 WeakPolarHBondContact O-CB 3.21Å; I92-L96 WeakPolarHBondContact O-CG 3.34Å; I92-L96 PolarHBondContact O-N 3.21Å; I93-L96 PolarHBondContact O-N 2.9Å; L96-G100 PolarHBondContact O-N 2.69Å; L96-C101 PolarHBondContact O-N 3.15Å; L96-C101 PolarHBondContact O-SG 3.39Å
97I94.7Very high93.6Very high42 Ų4247 Ų4722%0.21526%0.261CS..Hα-helixtrans-67.2-38173.7-71.2165.3000111.5I93 A95 E99 G100 L103 L128 L129 A132I93-I97 HydrophobicContact CG2-CD1 3.67Å; I93-I97 HydrophobicContact CG2-CG1 4.48Å; I93-I97 WeakPolarHBondContact O-CB 3.33Å; I93-I97 WeakPolarHBondContact O-CD1 3.36Å; I93-I97 WeakPolarHBondContact O-CG1 3.4Å; I93-I97 PolarHBondContact O-N 3.05Å; A95-I97 VanDerWaalsContact C-N 3.3Å; A95-I97 PolarHBondContact O-N 3.2Å; I97-E99 VanDerWaalsContact C-N 3.34Å; I97-E99 PolarHBondContact O-N 2.95Å; I97-G100 PolarHBondContact O-N 3.02Å; I97-G100 VanDerWaalsContact O-N 3.15Å; I97-L103 HydrophobicContact CG1-CD2 4.02Å; I97-L128 HydrophobicContact CD1-CB 4.42Å; I97-L129 HydrophobicContact CD1-CD2 3.93Å; I97-L129 HydrophobicContact CD1-CG 4.45Å; I97-L129 HydrophobicContact CG1-CD2 4.44Å; I97-A132 HydrophobicContact CD1-CB 4.11Å; I97-A132 HydrophobicContact CG1-CB 4.36Å; I97-A132 HydrophobicContact CG2-CB 3.66Å
98Q93.5Very high93.6Very high146 Ų14649.6 Ų49.668%0.68227%0.268SS*.Hα-helixtrans-65.9-35.6-179.9-78.1162.4-3.500112.6S94 A95 G100S94-Q98 WeakPolarHBondContact O-CG 3.5Å; S94-Q98 PolarHBondContact O-N 3.24Å; A95-Q98 WeakPolarHBondContact O-CB 3.34Å; A95-Q98 PolarHBondContact O-N 3.07Å; A95-Q98 VanDerWaalsContact O-N 3.1Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 2.92Å
99E91.4Very high93.7Very high108 Ų10854.1 Ų54.151%0.50529%0.288SS..THydrogen-bonded Turntrans-84.66.4174.6-51.3-62.4163.800113.4L64 L70 A95 I97L64-E99 HydrophobicContact CB-CG 4.06Å; L64-E99 HydrophobicContact CD1-CG 3.89Å; L64-E99 HydrophobicContact CD2-CB 4.43Å; L64-E99 HydrophobicContact CD2-CG 4.08Å; L64-E99 HydrophobicContact CG-CG 4.2Å; L70-E99 HydrophobicContact CD1-CB 3.78Å; L70-E99 WeakPolarHBondContact CD1-O 3.49Å; A95-E99 PolarHBondContact O-N 2.83Å; I97-E99 VanDerWaalsContact C-N 3.34Å; I97-E99 PolarHBondContact O-N 2.95Å
100G87.8Confident93.7Very high62 Ų6252 Ų5264%0.63928%0.277SS*.THydrogen-bonded Turntrans80.825.5168.600000117.2L96 I97 Q98L96-G100 PolarHBondContact O-N 2.69Å; I97-G100 PolarHBondContact O-N 3.02Å; I97-G100 VanDerWaalsContact O-N 3.15Å; Q98-G100 VanDerWaalsContact C-N 3.27Å; Q98-G100 PolarHBondContact O-N 2.92Å
101C90.1Very high93.8Very high9 Ų951 Ų516%0.06127%0.27CS..  trans-58.5149.9177.569.30000113.9L70 L96 L103L70-C101 HydrophobicContact CB-CB 3.81Å; L70-C101 HydrophobicContact CD1-CB 3.83Å; L70-C101 HydrophobicContact CG-CB 4.46Å; L96-C101 PolarHBondContact O-N 3.15Å; L96-C101 PolarHBondContact O-SG 3.39Å; C101-L103 PolarHBondContact O-N 3.3Å; C101-L103 VanDerWaalsContact O-N 3.11Å
102A91.4Very high93.8Very high36 Ų3646.5 Ų46.530%0.29825%0.246SC..  trans-76.3104.3-175.500000112.8D71 E104 R105D71-A102 VanDerWaalsContact OD1-CB 3.3Å; D71-A102 WeakPolarHBondContact OD1-CB 3.38Å; D71-A102 PolarHBondContact OD1-N 3.4Å; D71-A102 WeakPolarHBondContact OD2-CB 3.41Å; A102-E104 PolarHBondContact O-N 3.31Å; A102-R105 HydrophobicContact CB-CG 3.71Å; A102-R105 PolarHBondContact O-N 2.93Å
103L93.4Very high93.8Very high26 Ų2646.3 Ų46.314%0.13625%0.245CC..THydrogen-bonded Turntrans-63.2-27-177.4-48-176.8000113.9L81 I97 C101 L129 A132 A134L81-L103 HydrophobicContact CD2-CD2 3.88Å; I97-L103 HydrophobicContact CG1-CD2 4.02Å; C101-L103 PolarHBondContact O-N 3.3Å; C101-L103 VanDerWaalsContact O-N 3.11Å; L103-L129 HydrophobicContact CD2-CD2 4.02Å; L103-A132 HydrophobicContact CD1-CB 3.67Å; L103-A132 WeakPolarHBondContact CD1-O 3.35Å; L103-A134 HydrophobicContact CB-CB 4.18Å; L103-A134 HydrophobicContact CD1-CB 4.07Å
104E93Very high93.9Very high80 Ų8046.4 Ų46.437%0.37425%0.246SC..THydrogen-bonded Turntrans-93.20.7-173.7-59.9-51.4126.900114.2A102 Q106 A134 N135A102-E104 PolarHBondContact O-N 3.31Å; E104-Q106 PolarHBondContact O-N 3.31Å; E104-A134 VanDerWaalsContact OE1-CA 3.3Å; E104-A134 WeakPolarHBondContact OE1-CA 3.47Å; E104-N135 VanDerWaalsContact CD-CB 3.5Å; E104-N135 PolarHBondContact OE1-N 3.27Å; E104-N135 WeakPolarHBondContact OE2-CB 3.44Å
105R93.6Very high93.9Very high102 Ų10244.7 Ų44.739%0.38523%0.234SC..  trans-56.3135.4169.5-70.9-72.7-174.11693.7109.3D71 T79 H82 A102 T112D71-R105 IonicContact OD2-CZ 3.93Å; D71-R105 IonicContact OD2-NE 2.81Å; D71-R105 PolarHBondContact OD2-NE 3.47Å; D71-R105 IonicContact OD2-NH2 3.9Å; D71-R105 PolarHBondContact OD2-NH2 3.22Å; T79-R105 HydrophobicContact CG2-CB 4.16Å; T79-R105 HydrophobicContact CG2-CG 4.26Å; H82-R105 PolarHBondContact CE1-O 3.01Å; H82-R105 PolarHBondContact NE2-O 2.78Å; A102-R105 HydrophobicContact CB-CG 3.71Å; A102-R105 PolarHBondContact O-N 2.93Å; R105-T112 WeakPolarHBondContact O-CA 3.09Å
106Q94.4Very high94Very high78 Ų7845.1 Ų45.136%0.36423%0.234SC..BIsolated β-bridgetrans-107.6151.1174.4-70.4-169.52.600110.5Q73 E104 G110 N111 T112 K139Q73-Q106 PolarHBondContact NE2-O 3.31Å; E104-Q106 PolarHBondContact O-N 3.31Å; Q106-G110 VanDerWaalsContact CD-O 3.23Å; Q106-G110 WeakPolarHBondContact CG-O 3.04Å; Q106-G110 PolarHBondContact OE1-O 3.48Å; Q106-N111 WeakPolarHBondContact CA-O 3.45Å; Q106-T112 HydrophobicContact CG-CG2 3.71Å; Q106-K139 PolarHBondContact NE2-O 3.06Å
107D94.2Very high94.1Very high3 Ų345 Ų452%0.01623%0.234CC..  trans-93.8-171.8171.777.32.4000113.7Q78 D109 G110 N111Q78-D107 HydrophobicContact CG-CB 3.42Å; Q78-D107 VanDerWaalsContact CG-CB 3.42Å; Q78-D107 PolarHBondContact NE2-OD2 3.49Å; D107-D109 PolarHBondContact O-N 3.03Å; D107-D109 VanDerWaalsContact O-N 3.1Å; D107-D109 PolarHBondContact OD1-N 2.9Å; D107-G110 WeakPolarHBondContact O-CA 3.2Å; D107-G110 PolarHBondContact O-N 2.9Å; D107-G110 PolarHBondContact OD1-N 2.81Å; D107-N111 PolarHBondContact N-O 3.27Å; D107-N111 WeakPolarHBondContact OD1-CB 3.5Å; D107-N111 PolarHBondContact OD1-N 3.26Å
108K94.3Very high94.2Very high106 Ų10643 Ų4346%0.46122%0.224SC..THydrogen-bonded Turntrans-60.1-20.8-178.2-86.9-178.3178.4174.40114.8D75 G76 E77 K141D75-K108 VanDerWaalsContact O-CE 3.27Å; D75-K108 WeakPolarHBondContact O-CE 3.37Å; D75-K108 PolarHBondContact O-NZ 3.29Å; G76-K108 WeakPolarHBondContact O-CB 3.41Å; G76-K108 WeakPolarHBondContact O-CG 3.16Å; G76-K108 PolarHBondContact O-N 2.88Å; E77-K108 HydrophobicContact CB-CG 3.97Å; E77-K108 HydrophobicContact CG-CG 3.86Å; E77-K108 WeakPolarHBondContact OE1-CE 3.34Å; E77-K108 WeakPolarHBondContact OE1-CG 3.43Å; K108-K141 WeakPolarHBondContact O-CD 3.33Å; K108-K141 WeakPolarHBondContact O-CE 3.4Å; K108-K141 PolarHBondContact O-NZ 3.45Å
109D93.5Very high94.3Very high110 Ų11040.5 Ų40.559%0.58821%0.208SC*.THydrogen-bonded Turntrans-98.50174.4-69.6-43.5000112.7D107 N111 K141D107-D109 PolarHBondContact O-N 3.03Å; D107-D109 VanDerWaalsContact O-N 3.1Å; D107-D109 PolarHBondContact OD1-N 2.9Å; D109-N111 VanDerWaalsContact C-N 3.32Å; D109-K141 VanDerWaalsContact O-CB 3.3Å; D109-K141 WeakPolarHBondContact O-CB 3.32Å; D109-K141 WeakPolarHBondContact O-CG 3.29Å; D109-K141 PolarHBondContact O-N 2.87Å
110G94.5Very high94.5Very high0 Ų038.6 Ų38.60%020%0.199CC..SBendtrans82.38.7-174.200000113.3Q106 D107 N140Q106-G110 VanDerWaalsContact CD-O 3.23Å; Q106-G110 WeakPolarHBondContact CG-O 3.04Å; Q106-G110 PolarHBondContact OE1-O 3.48Å; D107-G110 WeakPolarHBondContact O-CA 3.2Å; D107-G110 PolarHBondContact O-N 2.9Å; D107-G110 PolarHBondContact OD1-N 2.81Å; G110-N140 VanDerWaalsContact O-CA 3.28Å; G110-N140 WeakPolarHBondContact O-CA 3.4Å; G110-N140 WeakPolarHBondContact O-CB 3.4Å
111N96.3Very high94.8Very high19 Ų1936.5 Ų36.510%0.10218%0.177CC..  trans-74.7130.9179.8-64.4-18.9000108.9H82 Q106 D107 D109 H115 E116 N140H82-N111 PolarHBondContact NE2-O 3.46Å; Q106-N111 WeakPolarHBondContact CA-O 3.45Å; D107-N111 PolarHBondContact N-O 3.27Å; D107-N111 WeakPolarHBondContact OD1-CB 3.5Å; D107-N111 PolarHBondContact OD1-N 3.26Å; D109-N111 VanDerWaalsContact C-N 3.32Å; N111-H115 HydrophobicContact CB-CB 3.9Å; N111-E116 WeakPolarHBondContact CB-OE1 3.46Å; N111-E116 PolarHBondContact ND2-OE1 2.56Å; N111-N140 VanDerWaalsContact OD1-CB 3.31Å; N111-N140 WeakPolarHBondContact OD1-CB 3.48Å; N111-N140 PolarHBondContact OD1-ND2 3.18Å
112T96.6Very high95.2Very high1 Ų139.1 Ų39.11%0.00619%0.188CC..BIsolated β-bridgetrans-86.7167.6162.466.10000110.1H82 R105 Q106 L114 H115 E116 A138H82-T112 VanDerWaalsContact NE2-C 3.29Å; H82-T112 WeakPolarHBondContact NE2-CA 3.42Å; R105-T112 WeakPolarHBondContact O-CA 3.09Å; Q106-T112 HydrophobicContact CG-CG2 3.71Å; T112-L114 PolarHBondContact O-N 3.46Å; T112-H115 PolarHBondContact N-ND1 2.78Å; T112-H115 WeakPolarHBondContact O-CA 3.21Å; T112-H115 VanDerWaalsContact O-CB 3.28Å; T112-H115 WeakPolarHBondContact O-CB 3.39Å; T112-H115 PolarHBondContact O-N 2.92Å; T112-H115 PolarHBondContact OG1-ND1 3.41Å; T112-E116 PolarHBondContact O-N 3.36Å; T112-A138 HydrophobicContact CG2-CB 4.5Å
113A95.9Very high95.4Very high0 Ų039.4 Ų39.40%019%0.188CC..Hα-helixtrans-55.6-28.6175.500000113.3L81 H82 A85 H115 E116 V117 L129L81-A113 HydrophobicContact CB-CB 4.47Å; L81-A113 HydrophobicContact CD2-CB 3.55Å; L81-A113 HydrophobicContact CG-CB 3.62Å; H82-A113 PolarHBondContact NE2-N 2.99Å; A85-A113 HydrophobicContact CB-CB 4.24Å; A113-H115 VanDerWaalsContact C-N 3.34Å; A113-E116 PolarHBondContact O-N 2.98Å; A113-V117 WeakPolarHBondContact O-CG2 3.33Å; A113-V117 PolarHBondContact O-N 3.21Å; A113-L129 HydrophobicContact CB-CD1 4.29Å
114L97.2Very high95.6Very high2 Ų242.7 Ų42.71%0.0120%0.202CC..Hα-helixtrans-68-31173.9-17561.7000112.8T112 V117 S118 V126 L129 V130 A134 A146 L162T112-L114 PolarHBondContact O-N 3.46Å; L114-V117 HydrophobicContact CD1-CG2 4.25Å; L114-V117 WeakPolarHBondContact O-CG2 3.31Å; L114-S118 VanDerWaalsContact O-CB 3.24Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.06Å; L114-S118 PolarHBondContact O-OG 3.03Å; L114-V126 HydrophobicContact CD1-CG1 4.27Å; L114-L129 HydrophobicContact CD1-CB 4.05Å; L114-V130 HydrophobicContact CD1-CG2 3.98Å; L114-V130 HydrophobicContact CD2-CG2 4.46Å; L114-A134 HydrophobicContact CB-CB 4.46Å; L114-A134 HydrophobicContact CD2-CB 4.16Å; L114-A146 HydrophobicContact CD2-CB 4.31Å; L114-A146 HydrophobicContact CG-CB 3.93Å; L114-L162 HydrophobicContact CD1-CD2 4.14Å; L114-L162 HydrophobicContact CD2-CD2 4.46Å; L114-L162 HydrophobicContact CG-CD2 4.46Å
115H97.4Very high95.8Very high0 Ų039 Ų390%019%0.185CC..Hα-helixtrans-68.4-48.4173.6-70.980.7000110.6N111 T112 A113 S118 W119 A138 N144 A146 L149N111-H115 HydrophobicContact CB-CB 3.9Å; T112-H115 PolarHBondContact N-ND1 2.78Å; T112-H115 WeakPolarHBondContact O-CA 3.21Å; T112-H115 VanDerWaalsContact O-CB 3.28Å; T112-H115 WeakPolarHBondContact O-CB 3.39Å; T112-H115 PolarHBondContact O-N 2.92Å; T112-H115 PolarHBondContact OG1-ND1 3.41Å; A113-H115 VanDerWaalsContact C-N 3.34Å; H115-S118 CarbonylContact O-C 3.6Å; H115-S118 WeakPolarHBondContact O-CB 3.29Å; H115-S118 PolarHBondContact O-N 3.38Å; H115-S118 VanDerWaalsContact O-N 3.09Å; H115-W119 WeakPolarHBondContact O-CB 3.37Å; H115-W119 PolarHBondContact O-N 3.22Å; H115-A138 PolarHBondContact CE1-O 2.96Å; H115-A138 PolarHBondContact NE2-O 3.25Å; H115-N144 PolarHBondContact NE2-O 3.41Å; H115-A146 PolarHBondContact CD2-N 3.01Å; H115-A146 PolarHBondContact NE2-N 3.23Å; H115-A146 VanDerWaalsContact NE2-N 3.19Å; H115-L149 HydrophobicContact CB-CD1 3.7Å
116E96.1Very high95.9Very high16 Ų1634.1 Ų34.18%0.07517%0.167CC..Hα-helixtrans-58.6-50.6179.2-68.4-55.5130.400112.9A85 V86 N111 T112 A113 S118 W119 H120A85-E116 HydrophobicContact CB-CB 3.76Å; V86-E116 HydrophobicContact CG2-CB 4.47Å; V86-E116 HydrophobicContact CG2-CG 4.29Å; V86-E116 WeakPolarHBondContact CG2-OE2 3.45Å; N111-E116 WeakPolarHBondContact CB-OE1 3.46Å; N111-E116 PolarHBondContact ND2-OE1 2.56Å; T112-E116 PolarHBondContact O-N 3.36Å; A113-E116 PolarHBondContact O-N 2.98Å; E116-S118 PolarHBondContact O-N 2.87Å; E116-W119 PolarHBondContact O-N 3.41Å; E116-H120 PolarHBondContact O-CD2 2.92Å; E116-H120 PolarHBondContact O-N 3.11Å
117V97Very high96Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-64.9-22.9177.3-61.80000113.2A85 I93 A113 L114 G121 F122 C125 V126 L129A85-V117 HydrophobicContact CB-CG1 3.66Å; I93-V117 HydrophobicContact CD1-CG1 4.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.33Å; A113-V117 PolarHBondContact O-N 3.21Å; L114-V117 HydrophobicContact CD1-CG2 4.25Å; L114-V117 WeakPolarHBondContact O-CG2 3.31Å; V117-G121 PolarHBondContact O-N 2.97Å; V117-G121 VanDerWaalsContact O-N 3.09Å; V117-F122 HydrophobicContact CB-CB 4.31Å; V117-F122 PolarHBondContact O-N 3.49Å; V117-C125 HydrophobicContact CB-CB 3.99Å; V117-C125 HydrophobicContact CG1-CB 3.56Å; V117-V126 HydrophobicContact CB-CG2 4.05Å; V117-V126 HydrophobicContact CG2-CB 4.32Å; V117-V126 HydrophobicContact CG2-CG2 3.54Å; V117-L129 HydrophobicContact CG1-CD1 4.09Å; V117-L129 HydrophobicContact CG2-CD1 3.74Å
118S96.9Very high96.1Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-84.4-35.3178.5-61.10000111.9L114 H115 E116 G121 A146 A150 H155L114-S118 VanDerWaalsContact O-CB 3.24Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.06Å; L114-S118 PolarHBondContact O-OG 3.03Å; H115-S118 CarbonylContact O-C 3.6Å; H115-S118 WeakPolarHBondContact O-CB 3.29Å; H115-S118 PolarHBondContact O-N 3.38Å; H115-S118 VanDerWaalsContact O-N 3.09Å; E116-S118 PolarHBondContact O-N 2.87Å; S118-G121 PolarHBondContact O-N 3.49Å; S118-A146 VanDerWaalsContact CB-O 3.28Å; S118-A146 WeakPolarHBondContact CB-O 3.38Å; S118-A150 WeakPolarHBondContact O-CA 3.25Å; S118-H155 PolarHBondContact O-CD2 3.48Å
119W95.8Very high96.2Very high92 Ų9231.8 Ų31.835%0.34816%0.157SC..Hα-helixtrans-63.6-43170.8176.9-99.7000112.1H115 E116 L149 Q152 N153 H155H115-W119 WeakPolarHBondContact O-CB 3.37Å; H115-W119 PolarHBondContact O-N 3.22Å; E116-W119 PolarHBondContact O-N 3.41Å; W119-L149 HydrophobicContact CB-CB 4.32Å; W119-L149 HydrophobicContact CB-CD1 4.33Å; W119-L149 HydrophobicContact CE3-CB 4.13Å; W119-L149 HydrophobicContact CE3-CD2 4.01Å; W119-L149 HydrophobicContact CE3-CG 4.43Å; W119-L149 HydrophobicContact CZ3-CD2 4.31Å; W119-Q152 HydrophobicContact CZ3-CG 4.14Å; W119-N153 VanDerWaalsContact CD2-ND2 3.26Å; W119-N153 PolarHBondContact O-ND2 3.04Å; W119-H155 PolarHBondContact O-CD2 3.34Å
120H95.3Very high96.3Very high69 Ų6928 Ų2832%0.31914%0.138SC..THydrogen-bonded Turntrans-85.4-10.1177.6-71.6-73.7000114.5E116 F122E116-H120 PolarHBondContact O-CD2 2.92Å; E116-H120 PolarHBondContact O-N 3.11Å; H120-F122 HydrophobicContact CB-CD2 3.54Å; H120-F122 HydrophobicContact CB-CE2 3.24Å; H120-F122 HydrophobicContact CB-CG 4.35Å; H120-F122 HydrophobicContact CB-CZ 3.84Å; H120-F122 AromaticContact CG-CE2 3.86Å
121G94.9Very high96.4Very high17 Ų1736 Ų3618%0.17517%0.173CC..THydrogen-bonded Turntrans81.118174.300000116V117 S118 S123 H155 S158V117-G121 PolarHBondContact O-N 2.97Å; V117-G121 VanDerWaalsContact O-N 3.09Å; S118-G121 PolarHBondContact O-N 3.49Å; G121-S123 VanDerWaalsContact C-N 3.25Å; G121-S123 PolarHBondContact O-N 3.49Å; G121-H155 WeakPolarHBondContact CA-CD2 3.36Å; G121-H155 PolarHBondContact N-CD2 3.43Å; G121-S158 PolarHBondContact O-OG 2.88Å
122F96.9Very high96.2Very high64 Ų6437.1 Ų37.128%0.28119%0.185SC..  trans-73.972.5-179.2-59.2-53.6000112A85 V87 G88 V117 H120 Q124 C125 V126A85-F122 WeakPolarHBondContact O-CD2 3.47Å; A85-F122 WeakPolarHBondContact O-CE2 3.27Å; V87-F122 WeakPolarHBondContact O-CZ 3.43Å; G88-F122 VanDerWaalsContact N-CE2 3.28Å; V117-F122 HydrophobicContact CB-CB 4.31Å; V117-F122 PolarHBondContact O-N 3.49Å; H120-F122 HydrophobicContact CB-CD2 3.54Å; H120-F122 HydrophobicContact CB-CE2 3.24Å; H120-F122 HydrophobicContact CB-CG 4.35Å; H120-F122 HydrophobicContact CB-CZ 3.84Å; H120-F122 AromaticContact CG-CE2 3.86Å; F122-Q124 PolarHBondContact O-N 3.23Å; F122-C125 HydrophobicContact CB-CB 3.95Å; F122-C125 WeakPolarHBondContact O-CA 3.37Å; F122-C125 WeakPolarHBondContact O-CB 3.33Å; F122-C125 PolarHBondContact O-N 3.31Å; F122-V126 WeakPolarHBondContact O-CG2 3.4Å; F122-V126 PolarHBondContact O-N 2.9Å
123S96.3Very high96Very high43 Ų4340 Ų4030%0.30121%0.214SC..Hα-helixtrans-57.4-26.1-17061.90000115.6G121 K127 S158G121-S123 VanDerWaalsContact C-N 3.25Å; G121-S123 PolarHBondContact O-N 3.49Å; S123-K127 VanDerWaalsContact O-CB 3.32Å; S123-K127 WeakPolarHBondContact O-CB 3.47Å; S123-K127 PolarHBondContact O-N 3.02Å; S123-K127 VanDerWaalsContact O-N 3.08Å; S123-S158 WeakPolarHBondContact CA-OG 3.2Å; S123-S158 PolarHBondContact N-OG 2.93Å
124Q96.9Very high95.9Very high95 Ų9540.2 Ų40.244%0.44422%0.216SC..Hα-helixtrans-76-37.1172.6-177.868.6-0.700111.9T90 F122 K127 L128T90-Q124 HydrophobicContact CG2-CB 3.99Å; T90-Q124 HydrophobicContact CG2-CG 3.62Å; F122-Q124 PolarHBondContact O-N 3.23Å; Q124-K127 WeakPolarHBondContact O-CB 3.45Å; Q124-K127 PolarHBondContact O-N 2.91Å; Q124-L128 WeakPolarHBondContact O-CG 3.48Å; Q124-L128 PolarHBondContact O-N 2.97Å
125C97.1Very high95.8Very high2 Ų243.7 Ų43.71%0.01423%0.234CC..Hα-helixtrans-68.3-40.8173.5-52.20000111.4G88 T90 I93 V117 F122 K127 L128 L129G88-C125 PolarHBondContact O-SG 3.25Å; T90-C125 WeakPolarHBondContact CG2-SG 3.46Å; I93-C125 HydrophobicContact CD1-CB 3.81Å; V117-C125 HydrophobicContact CB-CB 3.99Å; V117-C125 HydrophobicContact CG1-CB 3.56Å; F122-C125 HydrophobicContact CB-CB 3.95Å; F122-C125 WeakPolarHBondContact O-CA 3.37Å; F122-C125 WeakPolarHBondContact O-CB 3.33Å; F122-C125 PolarHBondContact O-N 3.31Å; C125-K127 VanDerWaalsContact C-N 3.27Å; C125-K127 PolarHBondContact O-N 2.97Å; C125-L128 PolarHBondContact O-N 3.14Å; C125-L128 VanDerWaalsContact O-N 3.15Å; C125-L129 PolarHBondContact O-N 3.39Å
126V97.1Very high95.6Very high0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-53.8-46.5169.1176.40000110.2L114 V117 F122 L128 L129 V130 V161 L162L114-V126 HydrophobicContact CD1-CG1 4.27Å; V117-V126 HydrophobicContact CB-CG2 4.05Å; V117-V126 HydrophobicContact CG2-CB 4.32Å; V117-V126 HydrophobicContact CG2-CG2 3.54Å; F122-V126 WeakPolarHBondContact O-CG2 3.4Å; F122-V126 PolarHBondContact O-N 2.9Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 2.87Å; V126-L129 PolarHBondContact O-N 2.9Å; V126-V130 HydrophobicContact CG1-CG2 4.31Å; V126-V130 WeakPolarHBondContact O-CB 3.37Å; V126-V130 VanDerWaalsContact O-CG2 3.24Å; V126-V130 WeakPolarHBondContact O-CG2 3.34Å; V126-V130 PolarHBondContact O-N 3.18Å; V126-V161 HydrophobicContact CB-CG1 4.49Å; V126-V161 HydrophobicContact CG1-CB 4.13Å; V126-V161 HydrophobicContact CG1-CG1 3.81Å; V126-L162 HydrophobicContact CG1-CD2 3.74Å; V126-L162 HydrophobicContact CG1-CG 3.79Å
127K96.7Very high95.5Very high95 Ų9547.6 Ų47.641%0.41325%0.253SS..Hα-helixtrans-67-29.5179.1-177.2178.6166.9-165.20113.6S123 Q124 C125 K131 V161S123-K127 VanDerWaalsContact O-CB 3.32Å; S123-K127 WeakPolarHBondContact O-CB 3.47Å; S123-K127 PolarHBondContact O-N 3.02Å; S123-K127 VanDerWaalsContact O-N 3.08Å; Q124-K127 WeakPolarHBondContact O-CB 3.45Å; Q124-K127 PolarHBondContact O-N 2.91Å; C125-K127 VanDerWaalsContact C-N 3.27Å; C125-K127 PolarHBondContact O-N 2.97Å; K127-K131 VanDerWaalsContact O-CB 3.32Å; K127-K131 WeakPolarHBondContact O-CB 3.3Å; K127-K131 VanDerWaalsContact O-CG 3.25Å; K127-K131 WeakPolarHBondContact O-CG 3.3Å; K127-K131 PolarHBondContact O-N 3.49Å; K127-V161 HydrophobicContact CB-CG1 3.81Å; K127-V161 HydrophobicContact CB-CG2 4.46Å; K127-V161 HydrophobicContact CG-CG1 4.4Å
128L96.4Very high95.4Very high41 Ų4148 Ų4822%0.21526%0.257CS..Hα-helixtrans-72.8-50.8172.9-71.4170.1000111T90 I97 Q124 C125 V126 V130 K131 A132T90-L128 HydrophobicContact CG2-CD1 4.27Å; I97-L128 HydrophobicContact CD1-CB 4.42Å; Q124-L128 WeakPolarHBondContact O-CG 3.48Å; Q124-L128 PolarHBondContact O-N 2.97Å; C125-L128 PolarHBondContact O-N 3.14Å; C125-L128 VanDerWaalsContact O-N 3.15Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 2.87Å; L128-V130 PolarHBondContact O-N 3.32Å; L128-K131 WeakPolarHBondContact O-CB 3.43Å; L128-K131 PolarHBondContact O-N 3.45Å; L128-K131 VanDerWaalsContact O-N 3.14Å; L128-A132 WeakPolarHBondContact O-CB 3.27Å; L128-A132 PolarHBondContact O-N 3.13Å
129L96Very high95.3Very high1 Ų152.3 Ų52.31%0.00528%0.276CS..Hα-helixtrans-63.3-43.8-179.1-73166.5000112.5L81 I93 I97 L103 A113 L114 V117 C125 V126 K131 A132 G133 A134L81-L129 HydrophobicContact CD2-CD2 4.19Å; I93-L129 HydrophobicContact CG2-CD2 4.41Å; I93-L129 HydrophobicContact CG2-CG 4.31Å; I97-L129 HydrophobicContact CD1-CD2 3.93Å; I97-L129 HydrophobicContact CD1-CG 4.45Å; I97-L129 HydrophobicContact CG1-CD2 4.44Å; L103-L129 HydrophobicContact CD2-CD2 4.02Å; A113-L129 HydrophobicContact CB-CD1 4.29Å; L114-L129 HydrophobicContact CD1-CB 4.05Å; V117-L129 HydrophobicContact CG1-CD1 4.09Å; V117-L129 HydrophobicContact CG2-CD1 3.74Å; C125-L129 PolarHBondContact O-N 3.39Å; V126-L129 PolarHBondContact O-N 2.9Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.36Å; L129-A132 PolarHBondContact O-N 2.93Å; L129-A132 VanDerWaalsContact O-N 3.1Å; L129-G133 PolarHBondContact O-N 3.24Å; L129-A134 HydrophobicContact CB-CB 4.08Å; L129-A134 VanDerWaalsContact O-CB 3.25Å; L129-A134 WeakPolarHBondContact O-CB 3.5Å; L129-A134 PolarHBondContact O-N 3.27Å
130V95.5Very high95.3Very high31 Ų3148.8 Ų48.819%0.18826%0.264CS..Hα-helixtrans-62.8-34174.5171.60000111.8L114 V126 L128 G133 V136 L162L114-V130 HydrophobicContact CD1-CG2 3.98Å; L114-V130 HydrophobicContact CD2-CG2 4.46Å; V126-V130 HydrophobicContact CG1-CG2 4.31Å; V126-V130 WeakPolarHBondContact O-CB 3.37Å; V126-V130 VanDerWaalsContact O-CG2 3.24Å; V126-V130 WeakPolarHBondContact O-CG2 3.34Å; V126-V130 PolarHBondContact O-N 3.18Å; L128-V130 PolarHBondContact O-N 3.32Å; V130-G133 PolarHBondContact O-N 3.25Å; V130-V136 HydrophobicContact CG1-CG2 4.31Å; V130-V136 HydrophobicContact CG2-CG2 4.13Å; V130-L162 HydrophobicContact CG2-CD2 4.25Å
131K95.1Very high95.3Very high169 Ų16951.4 Ų51.474%0.73527%0.274SS*.Hα-helixtrans-71.7-30.3173.2-86.7-177.1161.6-149.70113.4K127 L128 L129 G133K127-K131 VanDerWaalsContact O-CB 3.32Å; K127-K131 WeakPolarHBondContact O-CB 3.3Å; K127-K131 VanDerWaalsContact O-CG 3.25Å; K127-K131 WeakPolarHBondContact O-CG 3.3Å; K127-K131 PolarHBondContact O-N 3.49Å; L128-K131 WeakPolarHBondContact O-CB 3.43Å; L128-K131 PolarHBondContact O-N 3.45Å; L128-K131 VanDerWaalsContact O-N 3.14Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.36Å; K131-G133 PolarHBondContact O-N 2.73Å
132A93.4Very high95.2Very high42 Ų4252.9 Ų52.935%0.34729%0.285SS..THydrogen-bonded Turntrans-78.3-3.2177.200000113.3I97 L103 L128 L129I97-A132 HydrophobicContact CD1-CB 4.11Å; I97-A132 HydrophobicContact CG1-CB 4.36Å; I97-A132 HydrophobicContact CG2-CB 3.66Å; L103-A132 HydrophobicContact CD1-CB 3.67Å; L103-A132 WeakPolarHBondContact CD1-O 3.35Å; L128-A132 WeakPolarHBondContact O-CB 3.27Å; L128-A132 PolarHBondContact O-N 3.13Å; L129-A132 PolarHBondContact O-N 2.93Å; L129-A132 VanDerWaalsContact O-N 3.1Å
133G91.8Very high95.1Very high61 Ų6149.8 Ų49.863%0.62927%0.271SS*.THydrogen-bonded Turntrans97.18.6177.400000115.2L129 V130 K131 N135L129-G133 PolarHBondContact O-N 3.24Å; V130-G133 PolarHBondContact O-N 3.25Å; K131-G133 PolarHBondContact O-N 2.73Å; G133-N135 PolarHBondContact O-N 3.24Å
134A94.6Very high95.1Very high4 Ų448.7 Ų48.73%0.03326%0.262CS..  trans-58.2137.3179.300000112.3L103 E104 L114 L129 V136L103-A134 HydrophobicContact CB-CB 4.18Å; L103-A134 HydrophobicContact CD1-CB 4.07Å; E104-A134 VanDerWaalsContact OE1-CA 3.3Å; E104-A134 WeakPolarHBondContact OE1-CA 3.47Å; L114-A134 HydrophobicContact CB-CB 4.46Å; L114-A134 HydrophobicContact CD2-CB 4.16Å; L129-A134 HydrophobicContact CB-CB 4.08Å; L129-A134 VanDerWaalsContact O-CB 3.25Å; L129-A134 WeakPolarHBondContact O-CB 3.5Å; L129-A134 PolarHBondContact O-N 3.27Å; A134-V136 WeakPolarHBondContact O-CG2 3.22Å; A134-V136 PolarHBondContact O-N 2.9Å
135N93.7Very high95.1Very high75 Ų7544.2 Ų44.240%0.40124%0.241SC..  trans-71.2101.9-169.9-173.9-5.1000112.3E104 G133 H137 A138E104-N135 VanDerWaalsContact CD-CB 3.5Å; E104-N135 PolarHBondContact OE1-N 3.27Å; E104-N135 WeakPolarHBondContact OE2-CB 3.44Å; G133-N135 PolarHBondContact O-N 3.24Å; N135-H137 PolarHBondContact O-N 3.24Å; N135-H137 WeakPolarHBondContact OD1-CA 3.37Å; N135-H137 WeakPolarHBondContact OD1-CB 3.37Å; N135-H137 PolarHBondContact OD1-N 3.4Å; N135-A138 HydrophobicContact CB-CB 4.13Å; N135-A138 WeakPolarHBondContact O-CB 3.5Å; N135-A138 PolarHBondContact O-N 3.33Å; N135-A138 VanDerWaalsContact O-N 3.12Å; N135-A138 PolarHBondContact OD1-N 2.82Å
136V94.8Very high95Very high15 Ų1544.2 Ų44.29%0.09124%0.241CC..THydrogen-bonded Turntrans-70.41.9178.4-150.10000113.2V130 A134 L162 G165 S167V130-V136 HydrophobicContact CG1-CG2 4.31Å; V130-V136 HydrophobicContact CG2-CG2 4.13Å; A134-V136 WeakPolarHBondContact O-CG2 3.22Å; A134-V136 PolarHBondContact O-N 2.9Å; V136-L162 HydrophobicContact CG1-CB 4.39Å; V136-L162 HydrophobicContact CG1-CD2 3.76Å; V136-G165 WeakPolarHBondContact CG2-O 3.28Å; V136-S167 PolarHBondContact O-OG 3.22Å
137H93.3Very high95Very high83 Ų8344.2 Ų44.238%0.38424%0.241SC..THydrogen-bonded Turntrans-114.9-4.1175.3-60.4-13.8000113.6N135 G166 R168N135-H137 PolarHBondContact O-N 3.24Å; N135-H137 WeakPolarHBondContact OD1-CA 3.37Å; N135-H137 WeakPolarHBondContact OD1-CB 3.37Å; N135-H137 PolarHBondContact OD1-N 3.4Å; H137-G166 PolarHBondContact CE1-O 3.28Å; H137-R168 PolarHBondContact NE2-NE 2.92Å
138A94.3Very high95Very high10 Ų1039.7 Ų39.78%0.08322%0.222CC..  trans-55.3145.2173.200000111.1T112 H115 N135 T145T112-A138 HydrophobicContact CG2-CB 4.5Å; H115-A138 PolarHBondContact CE1-O 2.96Å; H115-A138 PolarHBondContact NE2-O 3.25Å; N135-A138 HydrophobicContact CB-CB 4.13Å; N135-A138 WeakPolarHBondContact O-CB 3.5Å; N135-A138 PolarHBondContact O-N 3.33Å; N135-A138 VanDerWaalsContact O-N 3.12Å; N135-A138 PolarHBondContact OD1-N 2.82Å; A138-T145 WeakPolarHBondContact O-CA 3.14Å
139K94.8Very high95Very high90 Ų9038 Ų3839%0.39121%0.213SC..BIsolated β-bridgetrans-122.4142.1177.1-67.3-175-179.7-163.80110Q106 G143 N144 T145 Q172Q106-K139 PolarHBondContact NE2-O 3.06Å; K139-G143 WeakPolarHBondContact CD-O 3.22Å; K139-N144 WeakPolarHBondContact CA-O 3.35Å; K139-T145 HydrophobicContact CG-CG2 3.87Å; K139-Q172 PolarHBondContact NZ-O 3.24Å
140N95.4Very high95.1Very high18 Ų1838 Ų3810%0.09621%0.213CC..  trans-82.9-177.1169.877.9-1.9000112.5G110 N111 A142 G143 N144G110-N140 VanDerWaalsContact O-CA 3.28Å; G110-N140 WeakPolarHBondContact O-CA 3.4Å; G110-N140 WeakPolarHBondContact O-CB 3.4Å; N111-N140 VanDerWaalsContact OD1-CB 3.31Å; N111-N140 WeakPolarHBondContact OD1-CB 3.48Å; N111-N140 PolarHBondContact OD1-ND2 3.18Å; N140-A142 PolarHBondContact O-N 2.88Å; N140-A142 WeakPolarHBondContact OD1-CA 3.25Å; N140-A142 WeakPolarHBondContact OD1-CB 3.39Å; N140-A142 PolarHBondContact OD1-N 3.23Å; N140-G143 WeakPolarHBondContact O-CA 3.47Å; N140-G143 PolarHBondContact O-N 3.05Å; N140-G143 PolarHBondContact OD1-N 2.9Å; N140-N144 PolarHBondContact N-O 3.34Å; N140-N144 PolarHBondContact OD1-N 3.45Å; N140-N144 VanDerWaalsContact OD1-N 3.1Å; N140-N144 PolarHBondContact OD1-O 3.1Å
141K95.4Very high95.1Very high123 Ų12336.5 Ų36.554%0.53520%0.204SC..THydrogen-bonded Turntrans-65.1-20.4-177.3-64.7174.8-169.8177.70113.4K108 D109 G143 H174K108-K141 WeakPolarHBondContact O-CD 3.33Å; K108-K141 WeakPolarHBondContact O-CE 3.4Å; K108-K141 PolarHBondContact O-NZ 3.45Å; D109-K141 VanDerWaalsContact O-CB 3.3Å; D109-K141 WeakPolarHBondContact O-CB 3.32Å; D109-K141 WeakPolarHBondContact O-CG 3.29Å; D109-K141 PolarHBondContact O-N 2.87Å; K141-G143 VanDerWaalsContact C-N 3.29Å; K141-H174 PolarHBondContact O-CE1 3.03Å; K141-H174 VanDerWaalsContact O-CE1 3.31Å; K141-H174 PolarHBondContact O-ND1 3.14Å
142A93.7Very high95.1Very high48 Ų4830.3 Ų30.340%0.39718%0.177SC..THydrogen-bonded Turntrans-83.3-0.2169.800000113.8N140 N144 H174N140-A142 PolarHBondContact O-N 2.88Å; N140-A142 WeakPolarHBondContact OD1-CA 3.25Å; N140-A142 WeakPolarHBondContact OD1-CB 3.39Å; N140-A142 PolarHBondContact OD1-N 3.23Å; A142-N144 PolarHBondContact O-N 3.08Å; A142-H174 VanDerWaalsContact C-ND1 3.29Å; A142-H174 PolarHBondContact O-N 3.29Å
143G94.8Very high95.1Very high0 Ų031 Ų310%018%0.175CC..SBendtrans76.12.3-176.600000113.6K139 N140 K141 N173 H174K139-G143 WeakPolarHBondContact CD-O 3.22Å; N140-G143 WeakPolarHBondContact O-CA 3.47Å; N140-G143 PolarHBondContact O-N 3.05Å; N140-G143 PolarHBondContact OD1-N 2.9Å; K141-G143 VanDerWaalsContact C-N 3.29Å; G143-N173 WeakPolarHBondContact O-CA 3.47Å; G143-N173 WeakPolarHBondContact O-CB 3.32Å; G143-H174 PolarHBondContact N-CE1 3.04Å; G143-H174 PolarHBondContact N-ND1 2.84Å
144N96.3Very high95.3Very high19 Ų1928.7 Ų28.710%0.10215%0.152CC..  trans-73135.2178.8-71.2-40000109.4H115 K139 N140 A142 H148 L149 N173H115-N144 PolarHBondContact NE2-O 3.41Å; K139-N144 WeakPolarHBondContact CA-O 3.35Å; N140-N144 PolarHBondContact N-O 3.34Å; N140-N144 PolarHBondContact OD1-N 3.45Å; N140-N144 VanDerWaalsContact OD1-N 3.1Å; N140-N144 PolarHBondContact OD1-O 3.1Å; A142-N144 PolarHBondContact O-N 3.08Å; N144-H148 HydrophobicContact CB-CB 3.91Å; N144-L149 HydrophobicContact CB-CD2 3.92Å; N144-L149 HydrophobicContact CB-CG 4.5Å; N144-N173 VanDerWaalsContact OD1-CB 3.3Å; N144-N173 WeakPolarHBondContact OD1-CB 3.38Å; N144-N173 PolarHBondContact OD1-ND2 3.37Å
145T96.5Very high95.4Very high2 Ų232.3 Ų32.31%0.01217%0.168CC..BIsolated β-bridgetrans-87.1165.8165.167.30000110.5A138 K139 L147 H148 L149A138-T145 WeakPolarHBondContact O-CA 3.14Å; K139-T145 HydrophobicContact CG-CG2 3.87Å; T145-L147 PolarHBondContact O-N 3.15Å; T145-H148 PolarHBondContact N-ND1 2.9Å; T145-H148 WeakPolarHBondContact O-CA 3.3Å; T145-H148 WeakPolarHBondContact O-CB 3.4Å; T145-H148 PolarHBondContact O-N 3.14Å; T145-H148 PolarHBondContact OG1-ND1 3.47Å; T145-L149 PolarHBondContact O-N 3.27Å
146A96.6Very high95.5Very high1 Ų130.5 Ų30.51%0.00816%0.159CC..Hα-helixtrans-48.2-35.2172.500000113.9L114 H115 S118 L149 A150 L162L114-A146 HydrophobicContact CD2-CB 4.31Å; L114-A146 HydrophobicContact CG-CB 3.93Å; H115-A146 PolarHBondContact CD2-N 3.01Å; H115-A146 PolarHBondContact NE2-N 3.23Å; H115-A146 VanDerWaalsContact NE2-N 3.19Å; S118-A146 VanDerWaalsContact CB-O 3.28Å; S118-A146 WeakPolarHBondContact CB-O 3.38Å; A146-L149 PolarHBondContact O-N 3.35Å; A146-A150 PolarHBondContact O-N 2.84Å; A146-L162 HydrophobicContact CB-CD1 4.34Å; A146-L162 HydrophobicContact CB-CD2 4.14Å
147L96.6Very high95.5Very high0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-69.9-34176.4-176.164.3000112.8T145 L149 A150 C151 L162 L163 S167 P169 C179 L195T145-L147 PolarHBondContact O-N 3.15Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-A150 PolarHBondContact O-N 3.37Å; L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.35Å; L147-C151 PolarHBondContact O-N 3.44Å; L147-C151 PolarHBondContact O-SG 3.31Å; L147-L162 HydrophobicContact CB-CD1 4.2Å; L147-L162 HydrophobicContact CD1-CB 4.16Å; L147-L162 HydrophobicContact CD1-CD1 4.17Å; L147-L163 HydrophobicContact CD1-CG 4.31Å; L147-L163 HydrophobicContact CD2-CD2 3.81Å; L147-L163 HydrophobicContact CD2-CG 4.28Å; L147-S167 WeakPolarHBondContact CB-OG 3.44Å; L147-P169 HydrophobicContact CD2-CB 4.15Å; L147-C179 HydrophobicContact CD2-CB 4.39Å; L147-C179 HydrophobicContact CG-CB 4.39Å; L147-L195 HydrophobicContact CD2-CD2 4.49Å
148H96.7Very high95.6Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-62.5-44.2174-70.777.5000110.7N144 T145 C151 Q152 S171 D177 C179N144-H148 HydrophobicContact CB-CB 3.91Å; T145-H148 PolarHBondContact N-ND1 2.9Å; T145-H148 WeakPolarHBondContact O-CA 3.3Å; T145-H148 WeakPolarHBondContact O-CB 3.4Å; T145-H148 PolarHBondContact O-N 3.14Å; T145-H148 PolarHBondContact OG1-ND1 3.47Å; H148-C151 CarbonylContact O-C 3.6Å; H148-C151 PolarHBondContact O-N 3.37Å; H148-Q152 WeakPolarHBondContact O-CB 3.35Å; H148-Q152 PolarHBondContact O-N 3.32Å; H148-S171 PolarHBondContact CE1-O 2.95Å; H148-S171 PolarHBondContact NE2-O 3.42Å; H148-S171 VanDerWaalsContact NE2-O 3.15Å; H148-D177 PolarHBondContact NE2-O 2.93Å; H148-C179 PolarHBondContact CE1-SG 3.02Å; H148-C179 PolarHBondContact ND1-SG 3.41Å; H148-C179 PolarHBondContact NE2-N 3.03Å
149L96.5Very high95.7Very high6 Ų630.3 Ų30.33%0.03116%0.156CC..Hα-helixtrans-64.9-44.5178.6-56.6-171.3000111.8H115 W119 N144 T145 A146 L147 C151 Q152 N153H115-L149 HydrophobicContact CB-CD1 3.7Å; W119-L149 HydrophobicContact CB-CB 4.32Å; W119-L149 HydrophobicContact CB-CD1 4.33Å; W119-L149 HydrophobicContact CE3-CB 4.13Å; W119-L149 HydrophobicContact CE3-CD2 4.01Å; W119-L149 HydrophobicContact CE3-CG 4.43Å; W119-L149 HydrophobicContact CZ3-CD2 4.31Å; N144-L149 HydrophobicContact CB-CD2 3.92Å; N144-L149 HydrophobicContact CB-CG 4.5Å; T145-L149 PolarHBondContact O-N 3.27Å; A146-L149 PolarHBondContact O-N 3.35Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L149-C151 VanDerWaalsContact C-N 3.27Å; L149-C151 PolarHBondContact O-N 2.92Å; L149-Q152 PolarHBondContact O-N 3.08Å; L149-N153 PolarHBondContact O-N 3.37Å
150A96.7Very high95.7Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-63.2-32.8173.600000112.6S118 A146 L147 G154 H155 S159 L162 M191S118-A150 WeakPolarHBondContact O-CA 3.25Å; A146-A150 PolarHBondContact O-N 2.84Å; L147-A150 PolarHBondContact O-N 3.37Å; A150-G154 CarbonylContact O-C 3.58Å; A150-G154 PolarHBondContact O-N 3.29Å; A150-G154 VanDerWaalsContact O-N 3.09Å; A150-H155 HydrophobicContact CB-CB 4.44Å; A150-H155 PolarHBondContact O-N 3.37Å; A150-S159 VanDerWaalsContact CB-OG 3.28Å; A150-S159 WeakPolarHBondContact CB-OG 3.28Å; A150-L162 HydrophobicContact CB-CD1 4.05Å; A150-M191 WeakPolarHBondContact O-CE 3.44Å
151C95.7Very high95.7Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-75.4-30.3174.5-71.80000113.6L147 H148 L149 V182 A183 H188 M191L147-C151 VanDerWaalsContact O-CB 3.27Å; L147-C151 WeakPolarHBondContact O-CB 3.35Å; L147-C151 PolarHBondContact O-N 3.44Å; L147-C151 PolarHBondContact O-SG 3.31Å; H148-C151 CarbonylContact O-C 3.6Å; H148-C151 PolarHBondContact O-N 3.37Å; L149-C151 VanDerWaalsContact C-N 3.27Å; L149-C151 PolarHBondContact O-N 2.92Å; C151-V182 HydrophobicContact CB-CG1 4.36Å; C151-A183 HydrophobicContact CB-CB 4.36Å; C151-H188 PolarHBondContact O-CD2 3.46Å; C151-M191 HydrophobicContact CB-CG 4.18Å
152Q95.4Very high95.7Very high40 Ų4024.9 Ų24.919%0.18713%0.134CC..Hα-helixtrans-66.3-44.3175.2171.3162-7.200111.8W119 H148 L149 V182 Y186 H188W119-Q152 HydrophobicContact CZ3-CG 4.14Å; H148-Q152 WeakPolarHBondContact O-CB 3.35Å; H148-Q152 PolarHBondContact O-N 3.32Å; L149-Q152 PolarHBondContact O-N 3.08Å; Q152-V182 HydrophobicContact CB-CG1 3.68Å; Q152-Y186 HydrophobicContact CB-CD2 4.3Å; Q152-Y186 HydrophobicContact CB-CE2 4.13Å; Q152-Y186 HydrophobicContact CG-CD2 4.03Å; Q152-Y186 HydrophobicContact CG-CE2 3.57Å; Q152-Y186 PolarHBondContact NE2-OH 2.99Å; Q152-H188 PolarHBondContact O-CD2 3.31Å; Q152-H188 PolarHBondContact O-NE2 3.46Å
153N94.6Very high95.7Very high55 Ų5524.2 Ų24.229%0.29412%0.124SC..THydrogen-bonded Turntrans-95.34.7-179.6-64.5-16.3000113.6W119 L149 H155W119-N153 VanDerWaalsContact CD2-ND2 3.26Å; W119-N153 PolarHBondContact O-ND2 3.04Å; L149-N153 PolarHBondContact O-N 3.37Å; N153-H155 VanDerWaalsContact CB-CD2 3.48Å; N153-H155 WeakPolarHBondContact CB-CD2 3.27Å; N153-H155 PolarHBondContact O-N 3.17Å
154G94.4Very high95.6Very high14 Ų1431.5 Ų31.514%0.14416%0.162CC..THydrogen-bonded Turntrans75.418.317100000115.6A150 T156 H188 M191A150-G154 CarbonylContact O-C 3.58Å; A150-G154 PolarHBondContact O-N 3.29Å; A150-G154 VanDerWaalsContact O-N 3.09Å; G154-T156 VanDerWaalsContact C-N 3.28Å; G154-T156 PolarHBondContact O-N 2.78Å; G154-H188 WeakPolarHBondContact CA-ND1 3.42Å; G154-H188 PolarHBondContact N-NE2 3.08Å; G154-M191 VanDerWaalsContact C-CE 3.43Å
155H96.9Very high95.2Very high79 Ų7932 Ų3237%0.36617%0.172SC..  trans-7471-172-64.4-50.7000113.9S118 W119 G121 A150 N153 Q157 S158 S159 M191S118-H155 PolarHBondContact O-CD2 3.48Å; W119-H155 PolarHBondContact O-CD2 3.34Å; G121-H155 WeakPolarHBondContact CA-CD2 3.36Å; G121-H155 PolarHBondContact N-CD2 3.43Å; A150-H155 HydrophobicContact CB-CB 4.44Å; A150-H155 PolarHBondContact O-N 3.37Å; N153-H155 VanDerWaalsContact CB-CD2 3.48Å; N153-H155 WeakPolarHBondContact CB-CD2 3.27Å; N153-H155 PolarHBondContact O-N 3.17Å; H155-Q157 VanDerWaalsContact C-N 3.26Å; H155-Q157 PolarHBondContact O-N 3.42Å; H155-S158 WeakPolarHBondContact O-CB 3.37Å; H155-S158 PolarHBondContact O-N 3.33Å; H155-S159 PolarHBondContact O-N 3.04Å; H155-M191 VanDerWaalsContact C-CE 3.43Å
156T95.3Very high94.9Very high37 Ų3734.1 Ų34.123%0.22719%0.194CC..Hα-helixtrans-48.7-37.5-17255.30000115.5G154 K160 A190 M191 I194G154-T156 VanDerWaalsContact C-N 3.28Å; G154-T156 PolarHBondContact O-N 2.78Å; T156-K160 WeakPolarHBondContact O-CG 3.28Å; T156-K160 PolarHBondContact O-N 3.26Å; T156-A190 HydrophobicContact CG2-CB 3.78Å; T156-M191 HydrophobicContact CG2-CE 4.3Å; T156-I194 HydrophobicContact CG2-CD1 3.77Å
157Q96.1Very high94.6Very high103 Ų10334.4 Ų34.448%0.48120%0.196SC..Hα-helixtrans-76.1-41.5-179.7-49.9-63.311.300111.6H155 S159 K160 V161H155-Q157 VanDerWaalsContact C-N 3.26Å; H155-Q157 PolarHBondContact O-N 3.42Å; Q157-S159 PolarHBondContact O-N 2.87Å; Q157-K160 PolarHBondContact O-N 3.33Å; Q157-V161 WeakPolarHBondContact O-CG2 3.35Å; Q157-V161 PolarHBondContact O-N 3.33Å; Q157-V161 VanDerWaalsContact O-N 3.11Å
158S95.8Very high94.3Very high1 Ų140.7 Ų40.71%0.00722%0.219CC..Hα-helixtrans-59.4-46.1173.1-61.80000111.1G121 S123 H155 K160 V161 L162G121-S158 PolarHBondContact O-OG 2.88Å; S123-S158 WeakPolarHBondContact CA-OG 3.2Å; S123-S158 PolarHBondContact N-OG 2.93Å; H155-S158 WeakPolarHBondContact O-CB 3.37Å; H155-S158 PolarHBondContact O-N 3.33Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 3.28Å; S158-V161 WeakPolarHBondContact O-CB 3.47Å; S158-V161 PolarHBondContact O-N 2.88Å; S158-V161 VanDerWaalsContact O-N 3.08Å; S158-L162 WeakPolarHBondContact O-CG 3.5Å; S158-L162 PolarHBondContact O-N 3.33Å
159S95.8Very high93.9Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-63.3-35.5177.7-62.50000113.3A150 H155 Q157 L162 L163 M191A150-S159 VanDerWaalsContact CB-OG 3.28Å; A150-S159 WeakPolarHBondContact CB-OG 3.28Å; H155-S159 PolarHBondContact O-N 3.04Å; Q157-S159 PolarHBondContact O-N 2.87Å; S159-L162 PolarHBondContact O-N 2.79Å; S159-L163 VanDerWaalsContact O-CB 3.32Å; S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 WeakPolarHBondContact O-CD1 3.44Å; S159-L163 WeakPolarHBondContact O-CG 3.33Å; S159-L163 PolarHBondContact O-N 3.07Å; S159-M191 WeakPolarHBondContact CB-SD 3.27Å; S159-M191 WeakPolarHBondContact OG-CE 3.31Å; S159-M191 PolarHBondContact OG-SD 3.48Å
160K95.1Very high93.6Very high86 Ų8643.3 Ų43.337%0.37423%0.234SC..Hα-helixtrans-61.2-44.2170.6-72.2171-164.8168.90111.7T156 Q157 S158 L163 L164 I194T156-K160 WeakPolarHBondContact O-CG 3.28Å; T156-K160 PolarHBondContact O-N 3.26Å; Q157-K160 PolarHBondContact O-N 3.33Å; S158-K160 VanDerWaalsContact C-N 3.34Å; S158-K160 PolarHBondContact O-N 3.28Å; K160-L163 PolarHBondContact O-N 3.21Å; K160-L164 WeakPolarHBondContact O-CB 3.49Å; K160-L164 VanDerWaalsContact O-CG 3.26Å; K160-L164 WeakPolarHBondContact O-CG 2.87Å; K160-L164 PolarHBondContact O-N 3.46Å; K160-I194 HydrophobicContact CG-CD1 4.24Å; K160-I194 HydrophobicContact CG-CG2 4.01Å
161V95.8Very high93.3Very high31 Ų3144.9 Ų44.919%0.18825%0.245CC..Hα-helixtrans-63.9-44.4178.5175.50000110.9V126 K127 Q157 S158 L164 G165V126-V161 HydrophobicContact CB-CG1 4.49Å; V126-V161 HydrophobicContact CG1-CB 4.13Å; V126-V161 HydrophobicContact CG1-CG1 3.81Å; K127-V161 HydrophobicContact CB-CG1 3.81Å; K127-V161 HydrophobicContact CB-CG2 4.46Å; K127-V161 HydrophobicContact CG-CG1 4.4Å; Q157-V161 WeakPolarHBondContact O-CG2 3.35Å; Q157-V161 PolarHBondContact O-N 3.33Å; Q157-V161 VanDerWaalsContact O-N 3.11Å; S158-V161 WeakPolarHBondContact O-CB 3.47Å; S158-V161 PolarHBondContact O-N 2.88Å; S158-V161 VanDerWaalsContact O-N 3.08Å; V161-L164 PolarHBondContact O-N 2.81Å; V161-G165 PolarHBondContact O-N 3.03Å
162L95.2Very high93.2Very high0 Ų048.9 Ų48.90%026%0.263CS..Hα-helixtrans-62.4-43.7176.5-68167.4000112.1L114 V126 V130 V136 A146 L147 A150 S158 S159 G165 G166 S167L114-L162 HydrophobicContact CD1-CD2 4.14Å; L114-L162 HydrophobicContact CD2-CD2 4.46Å; L114-L162 HydrophobicContact CG-CD2 4.46Å; V126-L162 HydrophobicContact CG1-CD2 3.74Å; V126-L162 HydrophobicContact CG1-CG 3.79Å; V130-L162 HydrophobicContact CG2-CD2 4.25Å; V136-L162 HydrophobicContact CG1-CB 4.39Å; V136-L162 HydrophobicContact CG1-CD2 3.76Å; A146-L162 HydrophobicContact CB-CD1 4.34Å; A146-L162 HydrophobicContact CB-CD2 4.14Å; L147-L162 HydrophobicContact CB-CD1 4.2Å; L147-L162 HydrophobicContact CD1-CB 4.16Å; L147-L162 HydrophobicContact CD1-CD1 4.17Å; A150-L162 HydrophobicContact CB-CD1 4.05Å; S158-L162 WeakPolarHBondContact O-CG 3.5Å; S158-L162 PolarHBondContact O-N 3.33Å; S159-L162 PolarHBondContact O-N 2.79Å; L162-G165 CarbonylContact O-C 3.34Å; L162-G165 WeakPolarHBondContact O-CA 3.27Å; L162-G165 PolarHBondContact O-N 3.44Å; L162-G166 PolarHBondContact O-N 3.34Å; L162-S167 WeakPolarHBondContact O-CB 3.19Å; L162-S167 PolarHBondContact O-N 2.96Å
163L93.6Very high93.2Very high34 Ų3447.8 Ų47.818%0.17826%0.259CS..Hα-helixtrans-65.8-36.4176.8-71.3164.5000112.3L147 S159 K160 G165 G166 P169 I194 L195 A198L147-L163 HydrophobicContact CD1-CG 4.31Å; L147-L163 HydrophobicContact CD2-CD2 3.81Å; L147-L163 HydrophobicContact CD2-CG 4.28Å; S159-L163 VanDerWaalsContact O-CB 3.32Å; S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 WeakPolarHBondContact O-CD1 3.44Å; S159-L163 WeakPolarHBondContact O-CG 3.33Å; S159-L163 PolarHBondContact O-N 3.07Å; K160-L163 PolarHBondContact O-N 3.21Å; L163-G165 VanDerWaalsContact C-N 3.34Å; L163-G166 PolarHBondContact O-N 3.05Å; L163-P169 HydrophobicContact CD2-CB 4.18Å; L163-P169 HydrophobicContact CD2-CG 4.14Å; L163-I194 HydrophobicContact CD1-CG2 3.8Å; L163-L195 HydrophobicContact CD1-CD2 4.47Å; L163-A198 HydrophobicContact CD1-CB 3.98Å; L163-A198 HydrophobicContact CD2-CB 4.03Å
164L92.3Very high93.2Very high154 Ų15451.5 Ų51.581%0.80627%0.274SS*.Hα-helixtrans-70.2-31.2171.5-71.8168.9000112.2K160 V161 G166K160-L164 WeakPolarHBondContact O-CB 3.49Å; K160-L164 VanDerWaalsContact O-CG 3.26Å; K160-L164 WeakPolarHBondContact O-CG 2.87Å; K160-L164 PolarHBondContact O-N 3.46Å; V161-L164 PolarHBondContact O-N 2.81Å; L164-G166 PolarHBondContact O-N 3.13Å
165G88.4Confident93.1Very high29 Ų2952.9 Ų52.930%0.29928%0.284SS..THydrogen-bonded Turntrans-74.412.7168.400000114.6V136 V161 L162 L163V136-G165 WeakPolarHBondContact CG2-O 3.28Å; V161-G165 PolarHBondContact O-N 3.03Å; L162-G165 CarbonylContact O-C 3.34Å; L162-G165 WeakPolarHBondContact O-CA 3.27Å; L162-G165 PolarHBondContact O-N 3.44Å; L163-G165 VanDerWaalsContact C-N 3.34Å
166G88.9Confident92.9Very high46 Ų4649.4 Ų49.447%0.47427%0.27SS..THydrogen-bonded Turntrans85.34.3174.600000115.9H137 L162 L163 L164 R168H137-G166 PolarHBondContact CE1-O 3.28Å; L162-G166 PolarHBondContact O-N 3.34Å; L163-G166 PolarHBondContact O-N 3.05Å; L164-G166 PolarHBondContact O-N 3.13Å; G166-R168 PolarHBondContact O-N 2.69Å
167S91.3Very high92.9Very high7 Ų747.9 Ų47.95%0.04926%0.26CS..  trans-55.9136179.9-159.90000112.3V136 L147 L162 P169V136-S167 PolarHBondContact O-OG 3.22Å; L147-S167 WeakPolarHBondContact CB-OG 3.44Å; L162-S167 WeakPolarHBondContact O-CB 3.19Å; L162-S167 PolarHBondContact O-N 2.96Å; S167-P169 WeakPolarHBondContact O-CD 3.41Å
168R89.4Confident92.8Very high133 Ų13343 Ų4350%0.50224%0.237SC..  trans-91.6110.5-177.2-61.6179.5-169.2-160.91109.4H137 G166 D170 S171H137-R168 PolarHBondContact NE2-NE 2.92Å; G166-R168 PolarHBondContact O-N 2.69Å; R168-D170 PolarHBondContact O-N 2.88Å; R168-S171 WeakPolarHBondContact O-CB 3.31Å; R168-S171 PolarHBondContact O-N 3.37Å; R168-S171 PolarHBondContact O-OG 3.09Å
169P89.6Confident92.8Very high7 Ų742.9 Ų42.95%0.04524%0.237CC..THydrogen-bonded Turntrans-72.1-16.3-178.930.4-36.5000113.8L147 L163 S167 C179 L195 C200L147-P169 HydrophobicContact CD2-CB 4.15Å; L163-P169 HydrophobicContact CD2-CB 4.18Å; L163-P169 HydrophobicContact CD2-CG 4.14Å; S167-P169 WeakPolarHBondContact O-CD 3.41Å; P169-C179 HydrophobicContact CB-CB 4.49Å; P169-C179 WeakPolarHBondContact O-CB 3.48Å; P169-C179 PolarHBondContact O-N 3.19Å; P169-L195 HydrophobicContact CB-CD2 3.86Å; P169-C200 HydrophobicContact CB-CB 3.79Å; P169-C200 HydrophobicContact CG-CB 3.64Å
170D89.5Confident92.7Very high54 Ų5443 Ų4329%0.28924%0.237SC..THydrogen-bonded Turntrans-88.5-3.1178.5-57.9-25.7000112.7R168 C200 S201R168-D170 PolarHBondContact O-N 2.88Å; D170-C200 WeakPolarHBondContact OD1-CA 3.49Å; D170-C200 VanDerWaalsContact OD1-CB 3.22Å; D170-C200 WeakPolarHBondContact OD1-CB 3.45Å; D170-S201 PolarHBondContact OD1-N 3.32Å
171S90.9Very high92.7Very high32 Ų3238.9 Ų38.922%0.22422%0.219CC..  trans-61.6140.4171.2-72.60000110.4H148 R168 T178H148-S171 PolarHBondContact CE1-O 2.95Å; H148-S171 PolarHBondContact NE2-O 3.42Å; H148-S171 VanDerWaalsContact NE2-O 3.15Å; R168-S171 WeakPolarHBondContact O-CB 3.31Å; R168-S171 PolarHBondContact O-N 3.37Å; R168-S171 PolarHBondContact O-OG 3.09Å; S171-T178 WeakPolarHBondContact O-CA 3.37Å
172Q93.3Very high92.7Very high84 Ų8437.6 Ų37.639%0.39321%0.211SC..BIsolated β-bridgetrans-103148178.4-66.5175.8-59.700112.2K139 G176 D177 T178 K205K139-Q172 PolarHBondContact NZ-O 3.24Å; Q172-G176 WeakPolarHBondContact CG-O 3.47Å; Q172-G176 PolarHBondContact NE2-O 2.92Å; Q172-D177 WeakPolarHBondContact CA-O 3.49Å; Q172-T178 HydrophobicContact CG-CG2 3.74Å; Q172-K205 PolarHBondContact NE2-O 3.39Å
173N94.5Very high92.7Very high18 Ų1837.6 Ų37.610%0.09621%0.211CC..  trans-87.4-173.6167.873.58.5000112.5G143 N144 A175 G176 D177G143-N173 WeakPolarHBondContact O-CA 3.47Å; G143-N173 WeakPolarHBondContact O-CB 3.32Å; N144-N173 VanDerWaalsContact OD1-CB 3.3Å; N144-N173 WeakPolarHBondContact OD1-CB 3.38Å; N144-N173 PolarHBondContact OD1-ND2 3.37Å; N173-A175 PolarHBondContact O-N 3.05Å; N173-A175 WeakPolarHBondContact OD1-CA 3.49Å; N173-A175 WeakPolarHBondContact OD1-CB 3.25Å; N173-A175 PolarHBondContact OD1-N 3.44Å; N173-G176 PolarHBondContact O-N 3.25Å; N173-G176 PolarHBondContact OD1-N 2.99Å; N173-D177 PolarHBondContact N-O 2.96Å; N173-D177 PolarHBondContact OD1-N 3.23Å; N173-D177 VanDerWaalsContact OD1-N 3.07Å; N173-D177 PolarHBondContact OD1-O 3.28Å
174H94.5Very high92.8Very high133 Ų13336 Ų3662%0.61620%0.203SC*.THydrogen-bonded Turntrans-68.4-14.1-179.4-65.9151.2000114.5K141 A142 G143 G176K141-H174 PolarHBondContact O-CE1 3.03Å; K141-H174 VanDerWaalsContact O-CE1 3.31Å; K141-H174 PolarHBondContact O-ND1 3.14Å; A142-H174 VanDerWaalsContact C-ND1 3.29Å; A142-H174 PolarHBondContact O-N 3.29Å; G143-H174 PolarHBondContact N-CE1 3.04Å; G143-H174 PolarHBondContact N-ND1 2.84Å; H174-G176 VanDerWaalsContact C-N 3.35Å
175A92.2Very high92.9Very high42 Ų4232.4 Ų32.435%0.34718%0.179SC..THydrogen-bonded Turntrans-90.13.1169.500000113N173 D177 N206 T207N173-A175 PolarHBondContact O-N 3.05Å; N173-A175 WeakPolarHBondContact OD1-CA 3.49Å; N173-A175 WeakPolarHBondContact OD1-CB 3.25Å; N173-A175 PolarHBondContact OD1-N 3.44Å; A175-D177 PolarHBondContact O-N 2.72Å; A175-N206 WeakPolarHBondContact O-CB 3.35Å; A175-T207 PolarHBondContact O-N 3.47Å; A175-T207 VanDerWaalsContact O-N 3.09Å; A175-T207 PolarHBondContact O-OG1 2.91Å; A175-T207 VanDerWaalsContact O-OG1 3.04Å
176G93.3Very high93.2Very high7 Ų736 Ų367%0.07218%0.184CC..SBendtrans73-1.1-173.100000114Q172 N173 H174 T178 N206Q172-G176 WeakPolarHBondContact CG-O 3.47Å; Q172-G176 PolarHBondContact NE2-O 2.92Å; N173-G176 PolarHBondContact O-N 3.25Å; N173-G176 PolarHBondContact OD1-N 2.99Å; H174-G176 VanDerWaalsContact C-N 3.35Å; G176-T178 PolarHBondContact O-N 3.24Å; G176-N206 WeakPolarHBondContact O-CA 3.42Å
177D94.5Very high93.5Very high4 Ų436.6 Ų36.62%0.02118%0.176CC..  trans-67.7132.5177.2-69.1-43.6000109.4H148 Q172 N173 A175 H181 V182 R185 N206H148-D177 PolarHBondContact NE2-O 2.93Å; Q172-D177 WeakPolarHBondContact CA-O 3.49Å; N173-D177 PolarHBondContact N-O 2.96Å; N173-D177 PolarHBondContact OD1-N 3.23Å; N173-D177 VanDerWaalsContact OD1-N 3.07Å; N173-D177 PolarHBondContact OD1-O 3.28Å; A175-D177 PolarHBondContact O-N 2.72Å; D177-H181 HydrophobicContact CB-CB 3.81Å; D177-H181 IonicContact OD1-CD2 2.72Å; D177-H181 IonicContact OD1-CG 2.77Å; D177-V182 HydrophobicContact CB-CG2 4.22Å; D177-R185 IonicContact OD1-CZ 3.61Å; D177-R185 IonicContact OD1-NH2 3.56Å; D177-R185 PolarHBondContact OD1-NH2 2.81Å; D177-R185 IonicContact OD2-CZ 2.72Å; D177-R185 IonicContact OD2-NH1 3.13Å; D177-R185 PolarHBondContact OD2-NH1 3.43Å; D177-R185 IonicContact OD2-NH2 3.47Å; D177-R185 PolarHBondContact OD2-NH2 2.83Å; D177-N206 PolarHBondContact OD1-ND2 3.1Å
178T95.1Very high93.7Very high0 Ų038.8 Ų38.80%019%0.186CC..BIsolated β-bridgetrans-88.1170166.7670000111.1S171 Q172 G176 L180 H181 V182 E204S171-T178 WeakPolarHBondContact O-CA 3.37Å; Q172-T178 HydrophobicContact CG-CG2 3.74Å; G176-T178 PolarHBondContact O-N 3.24Å; T178-L180 PolarHBondContact O-N 3.33Å; T178-L180 PolarHBondContact OG1-N 3.12Å; T178-H181 PolarHBondContact N-ND1 3.24Å; T178-H181 WeakPolarHBondContact O-CB 3.43Å; T178-H181 PolarHBondContact O-N 2.96Å; T178-H181 PolarHBondContact OG1-ND1 2.67Å; T178-V182 PolarHBondContact O-N 2.63Å; T178-V182 VanDerWaalsContact O-N 3.08Å; T178-E204 HydrophobicContact CG2-CB 4.24Å
179C94.7Very high93.9Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-52.9-29.2172.9-630000113.2L147 H148 P169 A183 L195L147-C179 HydrophobicContact CD2-CB 4.39Å; L147-C179 HydrophobicContact CG-CB 4.39Å; H148-C179 PolarHBondContact CE1-SG 3.02Å; H148-C179 PolarHBondContact ND1-SG 3.41Å; H148-C179 PolarHBondContact NE2-N 3.03Å; P169-C179 HydrophobicContact CB-CB 4.49Å; P169-C179 WeakPolarHBondContact O-CB 3.48Å; P169-C179 PolarHBondContact O-N 3.19Å; C179-A183 VanDerWaalsContact O-CB 3.31Å; C179-A183 WeakPolarHBondContact O-CB 3.34Å; C179-A183 PolarHBondContact O-N 2.81Å; C179-L195 HydrophobicContact CB-CD1 4.3Å; C179-L195 HydrophobicContact CB-CD2 4.05Å; C179-L195 WeakPolarHBondContact O-CD1 3.48Å
180L94.9Very high94.1Very high1 Ų136.8 Ų36.81%0.00519%0.194CC..Hα-helixtrans-76-35.3176.9-160.671.2000112.8T178 A184 L192 L195 L196 V202 P212 L228T178-L180 PolarHBondContact O-N 3.33Å; T178-L180 PolarHBondContact OG1-N 3.12Å; L180-A184 WeakPolarHBondContact O-CB 3.45Å; L180-A184 PolarHBondContact O-N 2.97Å; L180-L192 HydrophobicContact CD1-CD2 3.68Å; L180-L192 HydrophobicContact CG-CD2 4.32Å; L180-L195 HydrophobicContact CD1-CB 3.86Å; L180-L195 HydrophobicContact CD1-CD1 3.96Å; L180-L196 HydrophobicContact CD1-CD2 4.25Å; L180-L196 HydrophobicContact CD1-CG 4.25Å; L180-L196 HydrophobicContact CD2-CD2 4.16Å; L180-V202 HydrophobicContact CD2-CB 4.35Å; L180-V202 HydrophobicContact CD2-CG1 3.99Å; L180-V202 HydrophobicContact CD2-CG2 4.41Å; L180-P212 HydrophobicContact CB-CG 4.21Å; L180-P212 HydrophobicContact CD2-CB 4.39Å; L180-P212 HydrophobicContact CD2-CG 4.1Å; L180-P212 HydrophobicContact CG-CB 4.26Å; L180-P212 HydrophobicContact CG-CG 4.18Å; L180-L228 HydrophobicContact CD2-CD2 4.09Å; L180-L228 HydrophobicContact CG-CD2 4.4Å
181H95.4Very high94.3Very high0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-62.6-46.3170.9-69.482.1000110.8D177 T178 A184 R185 E204 D210 P212D177-H181 HydrophobicContact CB-CB 3.81Å; D177-H181 IonicContact OD1-CD2 2.72Å; D177-H181 IonicContact OD1-CG 2.77Å; T178-H181 PolarHBondContact N-ND1 3.24Å; T178-H181 WeakPolarHBondContact O-CB 3.43Å; T178-H181 PolarHBondContact O-N 2.96Å; T178-H181 PolarHBondContact OG1-ND1 2.67Å; H181-A184 PolarHBondContact O-N 2.82Å; H181-R185 WeakPolarHBondContact O-CB 3.15Å; H181-R185 PolarHBondContact O-N 3.18Å; H181-E204 PolarHBondContact CE1-O 3.48Å; H181-E204 VanDerWaalsContact CE1-O 3.27Å; H181-E204 PolarHBondContact NE2-O 3.02Å; H181-D210 PolarHBondContact NE2-O 3.32Å; H181-D210 VanDerWaalsContact NE2-O 3.11Å; H181-P212 WeakPolarHBondContact NE2-CD 3.31Å
182V95.4Very high94.4Very high4 Ų432.7 Ų32.72%0.02417%0.17CC..Hα-helixtrans-62.4-50.4178.3176.20000111C151 Q152 D177 T178 A184 R185 Y186C151-V182 HydrophobicContact CB-CG1 4.36Å; Q152-V182 HydrophobicContact CB-CG1 3.68Å; D177-V182 HydrophobicContact CB-CG2 4.22Å; T178-V182 PolarHBondContact O-N 2.63Å; T178-V182 VanDerWaalsContact O-N 3.08Å; V182-A184 PolarHBondContact O-N 2.8Å; V182-R185 PolarHBondContact O-N 2.89Å; V182-Y186 HydrophobicContact CG1-CD2 4.07Å; V182-Y186 HydrophobicContact CG1-CE2 4.14Å; V182-Y186 VanDerWaalsContact O-CD2 3.31Å; V182-Y186 WeakPolarHBondContact O-CD2 3.49Å; V182-Y186 PolarHBondContact O-N 3.22Å
183A95.6Very high94.3Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-62.6-30.4177.900000113.1C151 C179 N187 H188 M191 L192 L195C151-A183 HydrophobicContact CB-CB 4.36Å; C179-A183 VanDerWaalsContact O-CB 3.31Å; C179-A183 WeakPolarHBondContact O-CB 3.34Å; C179-A183 PolarHBondContact O-N 2.81Å; A183-N187 PolarHBondContact O-N 3.28Å; A183-H188 PolarHBondContact O-N 2.86Å; A183-M191 HydrophobicContact CB-CB 4.27Å; A183-M191 HydrophobicContact CB-CG 3.89Å; A183-L192 HydrophobicContact CB-CD2 3.94Å; A183-L192 HydrophobicContact CB-CG 4.05Å; A183-L195 HydrophobicContact CB-CD1 3.67Å
184A95.3Very high94.3Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-72.2-45.417400000112.1L180 H181 V182 Y186 N187 L192 P212 A216 H221 T224L180-A184 WeakPolarHBondContact O-CB 3.45Å; L180-A184 PolarHBondContact O-N 2.97Å; H181-A184 PolarHBondContact O-N 2.82Å; V182-A184 PolarHBondContact O-N 2.8Å; A184-Y186 VanDerWaalsContact C-N 3.31Å; A184-Y186 PolarHBondContact O-N 3.18Å; A184-N187 PolarHBondContact O-N 3.28Å; A184-L192 HydrophobicContact CB-CD2 4.27Å; A184-P212 HydrophobicContact CB-CB 4.18Å; A184-A216 HydrophobicContact CB-CB 4.43Å; A184-H221 PolarHBondContact O-CD2 2.9Å; A184-T224 HydrophobicContact CB-CG2 3.96Å
185R95.1Very high94.1Very high80 Ų8031 Ų3130%0.30216%0.155SC..Hα-helixtrans-53.9-45.2178.7-173.9173.8-68.4140.66.4112.4D177 H181 V182 V215 L219 H221D177-R185 IonicContact OD1-CZ 3.61Å; D177-R185 IonicContact OD1-NH2 3.56Å; D177-R185 PolarHBondContact OD1-NH2 2.81Å; D177-R185 IonicContact OD2-CZ 2.72Å; D177-R185 IonicContact OD2-NH1 3.13Å; D177-R185 PolarHBondContact OD2-NH1 3.43Å; D177-R185 IonicContact OD2-NH2 3.47Å; D177-R185 PolarHBondContact OD2-NH2 2.83Å; H181-R185 WeakPolarHBondContact O-CB 3.15Å; H181-R185 PolarHBondContact O-N 3.18Å; V182-R185 PolarHBondContact O-N 2.89Å; R185-V215 HydrophobicContact CB-CG1 3.78Å; R185-V215 HydrophobicContact CG-CG1 4.24Å; R185-L219 HydrophobicContact CB-CD1 4.41Å; R185-L219 HydrophobicContact CG-CD1 3.88Å; R185-H221 PolarHBondContact O-NE2 3.22Å
186Y94.3Very high94Very high104 Ų10430 Ų3041%0.40814%0.144SC..THydrogen-bonded Turntrans-92.811.7-179.9-60.6-75.3000114Q152 V182 A184 H188Q152-Y186 HydrophobicContact CB-CD2 4.3Å; Q152-Y186 HydrophobicContact CB-CE2 4.13Å; Q152-Y186 HydrophobicContact CG-CD2 4.03Å; Q152-Y186 HydrophobicContact CG-CE2 3.57Å; Q152-Y186 PolarHBondContact NE2-OH 2.99Å; V182-Y186 HydrophobicContact CG1-CD2 4.07Å; V182-Y186 HydrophobicContact CG1-CE2 4.14Å; V182-Y186 VanDerWaalsContact O-CD2 3.31Å; V182-Y186 WeakPolarHBondContact O-CD2 3.49Å; V182-Y186 PolarHBondContact O-N 3.22Å; A184-Y186 VanDerWaalsContact C-N 3.31Å; A184-Y186 PolarHBondContact O-N 3.18Å; Y186-H188 VanDerWaalsContact C-N 3.29Å; Y186-H188 VanDerWaalsContact CB-CD2 3.47Å; Y186-H188 WeakPolarHBondContact CB-CD2 3.33Å; Y186-H188 WeakPolarHBondContact CB-NE2 3.39Å; Y186-H188 PolarHBondContact O-N 3.19Å
187N94.4Very high93.6Very high58 Ų5832.1 Ų32.131%0.3117%0.166SC..THydrogen-bonded Turntrans56.232.6175-156.612000115.5A183 A184 V189 H221 T224A183-N187 PolarHBondContact O-N 3.28Å; A184-N187 PolarHBondContact O-N 3.28Å; N187-V189 VanDerWaalsContact C-N 3.26Å; N187-V189 PolarHBondContact O-N 2.98Å; N187-H221 HydrophobicContact CB-CB 4.44Å; N187-H221 WeakPolarHBondContact CB-ND1 3.48Å; N187-H221 VanDerWaalsContact CG-ND1 3.31Å; N187-H221 PolarHBondContact ND2-ND1 3Å; N187-H221 VanDerWaalsContact ND2-ND1 3.19Å; N187-T224 PolarHBondContact OD1-OG1 2.82Å
188H95.1Very high93Very high54 Ų5432.8 Ų32.825%0.2517%0.172CC..  trans-79.471.9-175.9-71.8-57.9000111.9C151 Q152 G154 A183 Y186 A190 M191 L192C151-H188 PolarHBondContact O-CD2 3.46Å; Q152-H188 PolarHBondContact O-CD2 3.31Å; Q152-H188 PolarHBondContact O-NE2 3.46Å; G154-H188 WeakPolarHBondContact CA-ND1 3.42Å; G154-H188 PolarHBondContact N-NE2 3.08Å; A183-H188 PolarHBondContact O-N 2.86Å; Y186-H188 VanDerWaalsContact C-N 3.29Å; Y186-H188 VanDerWaalsContact CB-CD2 3.47Å; Y186-H188 WeakPolarHBondContact CB-CD2 3.33Å; Y186-H188 WeakPolarHBondContact CB-NE2 3.39Å; Y186-H188 PolarHBondContact O-N 3.19Å; H188-A190 PolarHBondContact O-N 3.34Å; H188-M191 HydrophobicContact CB-CB 3.63Å; H188-M191 WeakPolarHBondContact O-CA 3.49Å; H188-M191 VanDerWaalsContact O-CB 3.29Å; H188-M191 WeakPolarHBondContact O-CB 3.48Å; H188-M191 PolarHBondContact O-N 2.82Å; H188-L192 WeakPolarHBondContact O-CG 3.48Å; H188-L192 PolarHBondContact O-N 3.15Å
189V93.8Very high92.1Very high40 Ų4036.7 Ų36.724%0.24219%0.189CC..Hα-helixtrans-45.6-40.8-177.6-178.80000113.2N187 R193 K223 L227N187-V189 VanDerWaalsContact C-N 3.26Å; N187-V189 PolarHBondContact O-N 2.98Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.95Å; V189-K223 HydrophobicContact CG2-CB 3.9Å; V189-K223 HydrophobicContact CG2-CD 4.45Å; V189-L227 HydrophobicContact CG1-CD1 3.59Å
190A93.9Very high91.4Very high57 Ų5736.7 Ų36.747%0.47119%0.189SC..Hα-helixtrans-74-34.7178.100000113.2T156 H188 I194T156-A190 HydrophobicContact CG2-CB 3.78Å; H188-A190 PolarHBondContact O-N 3.34Å; A190-I194 WeakPolarHBondContact O-CD1 3.35Å; A190-I194 WeakPolarHBondContact O-CG1 3.41Å; A190-I194 PolarHBondContact O-N 2.98Å
191M93.4Very high90.9Very high1 Ų136.8 Ų36.81%0.00519%0.19CC..Hα-helixtrans-67.7-45.1173.8-17361.767.500111.2A150 C151 G154 H155 T156 S159 A183 H188 R193 I194 L195A150-M191 WeakPolarHBondContact O-CE 3.44Å; C151-M191 HydrophobicContact CB-CG 4.18Å; G154-M191 VanDerWaalsContact C-CE 3.43Å; H155-M191 VanDerWaalsContact C-CE 3.43Å; T156-M191 HydrophobicContact CG2-CE 4.3Å; S159-M191 WeakPolarHBondContact CB-SD 3.27Å; S159-M191 WeakPolarHBondContact OG-CE 3.31Å; S159-M191 PolarHBondContact OG-SD 3.48Å; A183-M191 HydrophobicContact CB-CB 4.27Å; A183-M191 HydrophobicContact CB-CG 3.89Å; H188-M191 HydrophobicContact CB-CB 3.63Å; H188-M191 WeakPolarHBondContact O-CA 3.49Å; H188-M191 VanDerWaalsContact O-CB 3.29Å; H188-M191 WeakPolarHBondContact O-CB 3.48Å; H188-M191 PolarHBondContact O-N 2.82Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 3.05Å; M191-I194 WeakPolarHBondContact O-CA 3.42Å; M191-I194 WeakPolarHBondContact O-CB 3.08Å; M191-I194 PolarHBondContact O-N 2.85Å; M191-L195 HydrophobicContact CG-CD1 4.02Å; M191-L195 HydrophobicContact CG-CG 4.3Å; M191-L195 WeakPolarHBondContact O-CG 3.41Å; M191-L195 PolarHBondContact O-N 3.19Å
192L93.3Very high90.4Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-54.7-45.8176.4-71.4158.2000111.1L180 A183 A184 H188 I194 L195 L196 T224L180-L192 HydrophobicContact CD1-CD2 3.68Å; L180-L192 HydrophobicContact CG-CD2 4.32Å; A183-L192 HydrophobicContact CB-CD2 3.94Å; A183-L192 HydrophobicContact CB-CG 4.05Å; A184-L192 HydrophobicContact CB-CD2 4.27Å; H188-L192 WeakPolarHBondContact O-CG 3.48Å; H188-L192 PolarHBondContact O-N 3.15Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 3.02Å; L192-L195 PolarHBondContact O-N 3.4Å; L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 WeakPolarHBondContact O-CD1 3.14Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.33Å; L192-T224 HydrophobicContact CD1-CG2 3.48Å; L192-T224 VanDerWaalsContact CD1-CG2 3.48Å; L192-T224 WeakPolarHBondContact CD1-OG1 3.4Å; L192-T224 HydrophobicContact CD2-CG2 4.4Å
193R92.3Very high89.9Confident164 Ų16439 Ų3962%0.61920%0.204SC*.Hα-helixtrans-59.3-38.1174.6-74.7178.5169.1-172.8-5.5113.3V189 M191 G197 L227V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.95Å; M191-R193 VanDerWaalsContact C-N 3.3Å; M191-R193 PolarHBondContact O-N 3.05Å; R193-G197 PolarHBondContact O-N 3.19Å; R193-L227 HydrophobicContact CG-CD1 3.92Å; R193-L227 HydrophobicContact CG-CD2 4.28Å
194I93Very high89.6Confident36 Ų3641.6 Ų41.619%0.18522%0.217CC..Hα-helixtrans-71.3-47.7178.4-67.4162.2000110.9T156 K160 L163 A190 M191 L192 L196 G197 A198T156-I194 HydrophobicContact CG2-CD1 3.77Å; K160-I194 HydrophobicContact CG-CD1 4.24Å; K160-I194 HydrophobicContact CG-CG2 4.01Å; L163-I194 HydrophobicContact CD1-CG2 3.8Å; A190-I194 WeakPolarHBondContact O-CD1 3.35Å; A190-I194 WeakPolarHBondContact O-CG1 3.41Å; A190-I194 PolarHBondContact O-N 2.98Å; M191-I194 WeakPolarHBondContact O-CA 3.42Å; M191-I194 WeakPolarHBondContact O-CB 3.08Å; M191-I194 PolarHBondContact O-N 2.85Å; L192-I194 VanDerWaalsContact C-N 3.31Å; L192-I194 PolarHBondContact O-N 3.02Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.4Å; I194-G197 PolarHBondContact O-N 3.38Å; I194-A198 PolarHBondContact O-N 3.37Å
195L91.9Very high89.4Confident0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-60.1-44.6176.5-69171.4000111.3L147 L163 P169 C179 L180 A183 M191 L192 A198 F199 C200L147-L195 HydrophobicContact CD2-CD2 4.49Å; L163-L195 HydrophobicContact CD1-CD2 4.47Å; P169-L195 HydrophobicContact CB-CD2 3.86Å; C179-L195 HydrophobicContact CB-CD1 4.3Å; C179-L195 HydrophobicContact CB-CD2 4.05Å; C179-L195 WeakPolarHBondContact O-CD1 3.48Å; L180-L195 HydrophobicContact CD1-CB 3.86Å; L180-L195 HydrophobicContact CD1-CD1 3.96Å; A183-L195 HydrophobicContact CB-CD1 3.67Å; M191-L195 HydrophobicContact CG-CD1 4.02Å; M191-L195 HydrophobicContact CG-CG 4.3Å; M191-L195 WeakPolarHBondContact O-CG 3.41Å; M191-L195 PolarHBondContact O-N 3.19Å; L192-L195 PolarHBondContact O-N 3.4Å; L195-A198 CarbonylContact O-C 3.59Å; L195-A198 WeakPolarHBondContact O-CA 3.36Å; L195-A198 WeakPolarHBondContact O-CB 3.46Å; L195-A198 PolarHBondContact O-N 2.91Å; L195-A198 VanDerWaalsContact O-N 3.11Å; L195-F199 PolarHBondContact O-N 3.05Å; L195-C200 PolarHBondContact O-N 3.18Å; L195-C200 PolarHBondContact O-SG 3.12Å
196L88.7Confident89.4Confident20 Ų2042.2 Ų42.211%0.10522%0.222CC..Hα-helixtrans-63.9-42.6178.2-69.7168.9000111.3L180 L192 I194 A198 F199 V202 A231 R280L180-L196 HydrophobicContact CD1-CD2 4.25Å; L180-L196 HydrophobicContact CD1-CG 4.25Å; L180-L196 HydrophobicContact CD2-CD2 4.16Å; L192-L196 VanDerWaalsContact O-CB 3.25Å; L192-L196 WeakPolarHBondContact O-CB 3.49Å; L192-L196 WeakPolarHBondContact O-CD1 3.14Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.33Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.4Å; L196-A198 VanDerWaalsContact C-N 3.27Å; L196-A198 PolarHBondContact O-N 3.31Å; L196-F199 WeakPolarHBondContact O-CA 3.43Å; L196-F199 PolarHBondContact O-N 3.16Å; L196-V202 HydrophobicContact CD2-CG2 3.94Å; L196-A231 HydrophobicContact CD1-CB 3.92Å; L196-A231 HydrophobicContact CD2-CB 3.77Å; L196-A231 HydrophobicContact CG-CB 4.35Å; L196-R280 PolarHBondContact O-NH2 3.18Å
197G85.2Confident89.3Confident52 Ų5241.7 Ų41.754%0.53623%0.23SC..Hα-helixtrans-63.5-26.9171.500000114.4R193 I194 F199R193-G197 PolarHBondContact O-N 3.19Å; I194-G197 PolarHBondContact O-N 3.38Å; G197-F199 WeakPolarHBondContact O-CD2 3.25Å; G197-F199 WeakPolarHBondContact O-CE2 3.13Å; G197-F199 PolarHBondContact O-N 2.9Å
198A82.9Confident89.2Confident18 Ų1842.7 Ų42.715%0.14924%0.238CC..THydrogen-bonded Turntrans-77.73.6171.100000113.9L163 I194 L195 L196 R287L163-A198 HydrophobicContact CD1-CB 3.98Å; L163-A198 HydrophobicContact CD2-CB 4.03Å; I194-A198 PolarHBondContact O-N 3.37Å; L195-A198 CarbonylContact O-C 3.59Å; L195-A198 WeakPolarHBondContact O-CA 3.36Å; L195-A198 WeakPolarHBondContact O-CB 3.46Å; L195-A198 PolarHBondContact O-N 2.91Å; L195-A198 VanDerWaalsContact O-N 3.11Å; L196-A198 VanDerWaalsContact C-N 3.27Å; L196-A198 PolarHBondContact O-N 3.31Å; A198-R287 PolarHBondContact O-NH1 3.43Å; A198-R287 PolarHBondContact O-NH2 2.86Å
199F74.8Confident89.1Confident82 Ų8240.2 Ų40.236%0.3623%0.227SC..THydrogen-bonded Turntrans67.223.2178.3-60.7-80.7000116.6L195 L196 G197 R280 L283L195-F199 PolarHBondContact O-N 3.05Å; L196-F199 WeakPolarHBondContact O-CA 3.43Å; L196-F199 PolarHBondContact O-N 3.16Å; G197-F199 WeakPolarHBondContact O-CD2 3.25Å; G197-F199 WeakPolarHBondContact O-CE2 3.13Å; G197-F199 PolarHBondContact O-N 2.9Å; F199-R280 PolarHBondContact O-NE 3.48Å; F199-L283 HydrophobicContact CD1-CD1 4.37Å; F199-L283 HydrophobicContact CE1-CD1 4.24Å; F199-L283 HydrophobicContact CZ-CD1 4.41Å
200C81.1Confident89.1Confident0 Ų039.2 Ų39.20%022%0.22CC..  trans-54.9153.1171.666.90000113.7P169 D170 L195 R280P169-C200 HydrophobicContact CB-CB 3.79Å; P169-C200 HydrophobicContact CG-CB 3.64Å; D170-C200 WeakPolarHBondContact OD1-CA 3.49Å; D170-C200 VanDerWaalsContact OD1-CB 3.22Å; D170-C200 WeakPolarHBondContact OD1-CB 3.45Å; L195-C200 PolarHBondContact O-N 3.18Å; L195-C200 PolarHBondContact O-SG 3.12Å; C200-R280 WeakPolarHBondContact O-CD 3.5Å; C200-R280 PolarHBondContact O-NE 3.48Å; C200-R280 PolarHBondContact O-NH2 3.42Å
201S83.3Confident89.1Confident3 Ų336.6 Ų36.62%0.02120%0.199CC..  trans-77.8141.6178.6-176.40000112.4D170 E204 K284D170-S201 PolarHBondContact OD1-N 3.32Å; S201-E204 WeakPolarHBondContact CB-OE1 3.39Å; S201-E204 WeakPolarHBondContact OG-CG 3.36Å; S201-E204 PolarHBondContact OG-OE1 2.88Å; S201-K284 PolarHBondContact OG-NZ 3.08Å
202V85.4Confident89.2Confident12 Ų1236.6 Ų36.67%0.07320%0.199CC..SBendtrans-106.4-11.6-173.5-154.10000112.5L180 L196 L228 A233L180-V202 HydrophobicContact CD2-CB 4.35Å; L180-V202 HydrophobicContact CD2-CG1 3.99Å; L180-V202 HydrophobicContact CD2-CG2 4.41Å; L196-V202 HydrophobicContact CD2-CG2 3.94Å; V202-L228 HydrophobicContact CG1-CD2 3.72Å; V202-A233 HydrophobicContact CG1-CB 3.68Å
203S84.4Confident89.2Confident37 Ų3736.7 Ų36.726%0.25920%0.199SC..SBendtrans-111.85.8-176.355.20000113.5
204E89.5Confident89.3Confident55 Ų5528.9 Ų28.926%0.25717%0.169SC..  trans-62.1146.7167.7-49.8-53.8148.400109.3T178 H181 S201 K284T178-E204 HydrophobicContact CG2-CB 4.24Å; H181-E204 PolarHBondContact CE1-O 3.48Å; H181-E204 VanDerWaalsContact CE1-O 3.27Å; H181-E204 PolarHBondContact NE2-O 3.02Å; S201-E204 WeakPolarHBondContact CB-OE1 3.39Å; S201-E204 WeakPolarHBondContact OG-CG 3.36Å; S201-E204 PolarHBondContact OG-OE1 2.88Å; E204-K284 IonicContact OE1-NZ 3.46Å; E204-K284 PolarHBondContact OE1-NZ 3.44Å
205K92.3Very high89.4Confident79 Ų7927.7 Ų27.734%0.34316%0.164SC..  trans-108.5148178.7-68.4-178.5157.2-167.60110.5Q172 G209 D210 T211 Q238Q172-K205 PolarHBondContact NE2-O 3.39Å; K205-G209 VanDerWaalsContact CD-O 3.3Å; K205-G209 WeakPolarHBondContact CD-O 3.43Å; K205-G209 VanDerWaalsContact CE-O 3.28Å; K205-G209 WeakPolarHBondContact CE-O 3.24Å; K205-G209 VanDerWaalsContact CG-O 3.25Å; K205-G209 WeakPolarHBondContact CG-O 3.42Å; K205-D210 CarbonylContact C-O 3.5Å; K205-D210 WeakPolarHBondContact CA-O 3.47Å; K205-T211 HydrophobicContact CG-CG2 4.04Å; K205-Q238 WeakPolarHBondContact CE-O 3.5Å; K205-Q238 PolarHBondContact NZ-O 3.09Å
206N93.6Very high89.5Confident15 Ų1527.7 Ų27.78%0.0816%0.164CC..  trans-84.2-173.9166.475.77.2000111.7A175 G176 D177 V208 G209 D210A175-N206 WeakPolarHBondContact O-CB 3.35Å; G176-N206 WeakPolarHBondContact O-CA 3.42Å; D177-N206 PolarHBondContact OD1-ND2 3.1Å; N206-V208 PolarHBondContact O-N 3.05Å; N206-V208 WeakPolarHBondContact OD1-CB 3.34Å; N206-V208 PolarHBondContact OD1-N 3.43Å; N206-G209 WeakPolarHBondContact O-CA 3.27Å; N206-G209 PolarHBondContact O-N 2.93Å; N206-G209 PolarHBondContact OD1-N 3.37Å; N206-D210 PolarHBondContact N-O 3Å; N206-D210 PolarHBondContact OD1-N 3.42Å; N206-D210 PolarHBondContact OD1-O 2.86Å
207T93.9Very high89.8Confident93 Ų9326.7 Ų26.757%0.57116%0.159SC*.THydrogen-bonded Turntrans-64.2-24.1-177.353.50000114.2A175 N240A175-T207 PolarHBondContact O-N 3.47Å; A175-T207 VanDerWaalsContact O-N 3.09Å; A175-T207 PolarHBondContact O-OG1 2.91Å; A175-T207 VanDerWaalsContact O-OG1 3.04Å; T207-N240 PolarHBondContact O-ND2 3.36Å
208V91.8Very high90.3Very high79 Ų7925 Ų2548%0.47914%0.139SC..THydrogen-bonded Turntrans-79.3-10.7174.5-171.90000111.4N206 D210 N240N206-V208 PolarHBondContact O-N 3.05Å; N206-V208 WeakPolarHBondContact OD1-CB 3.34Å; N206-V208 PolarHBondContact OD1-N 3.43Å; V208-D210 VanDerWaalsContact C-N 3.27Å; V208-N240 VanDerWaalsContact O-CB 3.24Å; V208-N240 WeakPolarHBondContact O-CB 3.25Å; V208-N240 PolarHBondContact O-N 3.27Å; V208-N240 VanDerWaalsContact O-N 3.14Å; V208-N240 PolarHBondContact O-ND2 2.87Å
209G92.4Very high90.8Very high1 Ų127.9 Ų27.91%0.0115%0.152CC..SBendtrans85.9-2.7-173.200000113.6K205 N206 N239 N240K205-G209 VanDerWaalsContact CD-O 3.3Å; K205-G209 WeakPolarHBondContact CD-O 3.43Å; K205-G209 VanDerWaalsContact CE-O 3.28Å; K205-G209 WeakPolarHBondContact CE-O 3.24Å; K205-G209 VanDerWaalsContact CG-O 3.25Å; K205-G209 WeakPolarHBondContact CG-O 3.42Å; N206-G209 WeakPolarHBondContact O-CA 3.27Å; N206-G209 PolarHBondContact O-N 2.93Å; N206-G209 PolarHBondContact OD1-N 3.37Å; G209-N239 WeakPolarHBondContact O-CA 3.21Å; G209-N240 VanDerWaalsContact CA-OD1 3.27Å; G209-N240 WeakPolarHBondContact CA-OD1 3.38Å; G209-N240 PolarHBondContact N-ND2 2.84Å
210D93.7Very high91.7Very high20 Ų2027.5 Ų27.511%0.10715%0.154CC..  trans-68.8142.1178.9-67.7-25000109.9H181 K205 N206 V208 H214 V215 N239 H248H181-D210 PolarHBondContact NE2-O 3.32Å; H181-D210 VanDerWaalsContact NE2-O 3.11Å; K205-D210 CarbonylContact C-O 3.5Å; K205-D210 WeakPolarHBondContact CA-O 3.47Å; N206-D210 PolarHBondContact N-O 3Å; N206-D210 PolarHBondContact OD1-N 3.42Å; N206-D210 PolarHBondContact OD1-O 2.86Å; V208-D210 VanDerWaalsContact C-N 3.27Å; D210-H214 HydrophobicContact CB-CB 3.89Å; D210-V215 HydrophobicContact CB-CG2 4.32Å; D210-N239 WeakPolarHBondContact OD1-CB 3.3Å; D210-N239 PolarHBondContact OD1-ND2 2.66Å; D210-H248 IonicContact OD1-CE1 3.56Å; D210-H248 PolarHBondContact OD1-CE1 3.31Å; D210-H248 IonicContact OD1-NE2 4Å; D210-H248 IonicContact OD2-CE1 3.17Å
211T94.3Very high92.4Very high2 Ų229 Ų291%0.01216%0.161CC..  trans-96.8170.1169.571.50000110.4K205 L213 H214 V215 I237K205-T211 HydrophobicContact CG-CG2 4.04Å; T211-L213 PolarHBondContact O-N 3.33Å; T211-L213 PolarHBondContact OG1-N 2.77Å; T211-H214 PolarHBondContact N-ND1 3.33Å; T211-H214 WeakPolarHBondContact O-CB 3.36Å; T211-H214 PolarHBondContact O-N 3.11Å; T211-H214 PolarHBondContact OG1-ND1 3.35Å; T211-V215 PolarHBondContact O-N 3.17Å; T211-I237 HydrophobicContact CG2-CB 4.44Å; T211-I237 HydrophobicContact CG2-CD1 4.35Å; T211-I237 HydrophobicContact CG2-CG2 3.75Å
212P94.4Very high92.8Very high1 Ų132 Ų321%0.00617%0.173CC..Hα-helixtrans-57.2-24.1175.5-25.136000113.5L180 H181 A184 A216 L228L180-P212 HydrophobicContact CB-CG 4.21Å; L180-P212 HydrophobicContact CD2-CB 4.39Å; L180-P212 HydrophobicContact CD2-CG 4.1Å; L180-P212 HydrophobicContact CG-CB 4.26Å; L180-P212 HydrophobicContact CG-CG 4.18Å; H181-P212 WeakPolarHBondContact NE2-CD 3.31Å; A184-P212 HydrophobicContact CB-CB 4.18Å; P212-A216 VanDerWaalsContact O-CB 3.27Å; P212-A216 WeakPolarHBondContact O-CB 3.44Å; P212-A216 PolarHBondContact O-N 2.91Å; P212-L228 HydrophobicContact CB-CD1 4.27Å; P212-L228 HydrophobicContact CB-CD2 4.39Å; P212-L228 WeakPolarHBondContact O-CD1 3.4Å
213L94.3Very high93.2Very high1 Ų138.6 Ų38.61%0.00520%0.201CC..Hα-helixtrans-72.5-38175.1-169.967.6000112.3T211 A217 V225 L228 L229 A233 A245 L261T211-L213 PolarHBondContact O-N 3.33Å; T211-L213 PolarHBondContact OG1-N 2.77Å; L213-A217 WeakPolarHBondContact O-CB 3.48Å; L213-A217 PolarHBondContact O-N 3.37Å; L213-V225 HydrophobicContact CD1-CG1 4.06Å; L213-L228 HydrophobicContact CB-CD1 4.46Å; L213-L228 HydrophobicContact CD1-CB 3.97Å; L213-L228 HydrophobicContact CD1-CD1 4.21Å; L213-L229 HydrophobicContact CD1-CD2 4.3Å; L213-L229 HydrophobicContact CD1-CG 4.25Å; L213-L229 HydrophobicContact CD2-CD2 4.08Å; L213-A233 HydrophobicContact CD2-CB 4.21Å; L213-A245 HydrophobicContact CB-CB 4.42Å; L213-A245 HydrophobicContact CD2-CB 4.1Å; L213-A245 HydrophobicContact CG-CB 3.9Å; L213-L261 HydrophobicContact CD1-CD2 4.28Å; L213-L261 HydrophobicContact CD2-CD2 4.12Å; L213-L261 HydrophobicContact CG-CD2 4.31Å
214H94.5Very high93.6Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-64.4-49.8174.7-66.872.1000110.3D210 T211 A216 A217 A218 I237 Q243 A245 H248D210-H214 HydrophobicContact CB-CB 3.89Å; T211-H214 PolarHBondContact N-ND1 3.33Å; T211-H214 WeakPolarHBondContact O-CB 3.36Å; T211-H214 PolarHBondContact O-N 3.11Å; T211-H214 PolarHBondContact OG1-ND1 3.35Å; H214-A216 VanDerWaalsContact C-N 3.31Å; H214-A216 PolarHBondContact O-N 3.39Å; H214-A217 WeakPolarHBondContact O-CA 3.4Å; H214-A217 WeakPolarHBondContact O-CB 3.48Å; H214-A217 PolarHBondContact O-N 3.28Å; H214-A218 PolarHBondContact O-N 3.21Å; H214-I237 PolarHBondContact CE1-O 2.84Å; H214-I237 PolarHBondContact NE2-O 3.5Å; H214-Q243 PolarHBondContact NE2-O 3.25Å; H214-A245 PolarHBondContact CD2-N 3.2Å; H214-A245 PolarHBondContact NE2-N 3.32Å; H214-H248 AromaticContact CD2-CD2 3.82Å
215V94.6Very high93.8Very high11 Ų1134.2 Ų34.27%0.06718%0.176CC..Hα-helixtrans-59-41.8178.21800000111.5R185 D210 T211 A217 L219R185-V215 HydrophobicContact CB-CG1 3.78Å; R185-V215 HydrophobicContact CG-CG1 4.24Å; D210-V215 HydrophobicContact CB-CG2 4.32Å; T211-V215 PolarHBondContact O-N 3.17Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 2.99Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 WeakPolarHBondContact O-CD1 3.44Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.23Å
216A95.4Very high93.7Very high0 Ų035.8 Ų35.80%018%0.18CC..Hα-helixtrans-68.7-26.5174.600000113.6A184 P212 H214 H221 T224 V225 L228A184-A216 HydrophobicContact CB-CB 4.43Å; P212-A216 VanDerWaalsContact O-CB 3.27Å; P212-A216 WeakPolarHBondContact O-CB 3.44Å; P212-A216 PolarHBondContact O-N 2.91Å; H214-A216 VanDerWaalsContact C-N 3.31Å; H214-A216 PolarHBondContact O-N 3.39Å; A216-H221 HydrophobicContact CB-CB 4.32Å; A216-H221 PolarHBondContact O-N 2.9Å; A216-T224 HydrophobicContact CB-CG2 3.6Å; A216-V225 HydrophobicContact CB-CG2 3.74Å; A216-L228 HydrophobicContact CB-CD1 4.07Å
217A94.8Very high93.6Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-83.1-41.8-177.100000113.3L213 H214 V215 L219 N220 A245 A249 N254 V257 L261L213-A217 WeakPolarHBondContact O-CB 3.48Å; L213-A217 PolarHBondContact O-N 3.37Å; H214-A217 WeakPolarHBondContact O-CA 3.4Å; H214-A217 WeakPolarHBondContact O-CB 3.48Å; H214-A217 PolarHBondContact O-N 3.28Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 2.99Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.37Å; A217-N220 PolarHBondContact O-N 2.9Å; A217-A245 HydrophobicContact CB-CB 4.21Å; A217-A245 WeakPolarHBondContact CB-O 3.32Å; A217-A249 HydrophobicContact CB-CB 4.24Å; A217-N254 PolarHBondContact O-ND2 2.77Å; A217-V257 HydrophobicContact CB-CG1 4.07Å; A217-L261 HydrophobicContact CB-CD1 3.97Å
218A94.5Very high93.4Very high15 Ų1531.5 Ų31.512%0.12415%0.154CC..Hα-helixtrans-60.9-36.4171.400000112.2H214 H248 H252 N254H214-A218 PolarHBondContact O-N 3.21Å; A218-H248 HydrophobicContact CB-CB 4.36Å; A218-H252 WeakPolarHBondContact O-CB 3.49Å; A218-N254 PolarHBondContact O-ND2 3.11Å
219L94Very high93.2Very high80 Ų8028.1 Ų28.142%0.41913%0.133SC..THydrogen-bonded Turntrans-94.114.5-176.1-59.1173.1000114.5R185 V215 A217 H221R185-L219 HydrophobicContact CB-CD1 4.41Å; R185-L219 HydrophobicContact CG-CD1 3.88Å; V215-L219 HydrophobicContact CG1-CD1 4.04Å; V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 WeakPolarHBondContact O-CD1 3.44Å; V215-L219 WeakPolarHBondContact O-CG 3.28Å; V215-L219 PolarHBondContact O-N 3.23Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.37Å; L219-H221 VanDerWaalsContact C-N 3.28Å; L219-H221 WeakPolarHBondContact CB-NE2 3.42Å; L219-H221 PolarHBondContact O-CE1 2.92Å; L219-H221 VanDerWaalsContact O-CE1 3.27Å; L219-H221 PolarHBondContact O-N 3.08Å; L219-H221 PolarHBondContact O-ND1 2.8Å
220N94Very high92.9Very high73 Ų7333.1 Ų33.139%0.3916%0.156SC..THydrogen-bonded Turntrans58.826.2177.2-151-1.3000115.9A217 K222 N254 V257A217-N220 PolarHBondContact O-N 2.9Å; N220-K222 PolarHBondContact O-N 2.76Å; N220-N254 HydrophobicContact CB-CB 4.24Å; N220-N254 VanDerWaalsContact CB-OD1 3.25Å; N220-N254 WeakPolarHBondContact CB-OD1 3.49Å; N220-N254 PolarHBondContact N-ND2 2.85Å; N220-N254 PolarHBondContact ND2-OD1 3.24Å; N220-V257 WeakPolarHBondContact OD1-CG2 3.47Å
221H95.1Very high92.4Very high32 Ų3232.9 Ų32.915%0.14816%0.157CC..  trans-81.662.5-171.6-66-35.6000112.9A184 R185 N187 A216 L219 K223 T224 V225A184-H221 PolarHBondContact O-CD2 2.9Å; R185-H221 PolarHBondContact O-NE2 3.22Å; N187-H221 HydrophobicContact CB-CB 4.44Å; N187-H221 WeakPolarHBondContact CB-ND1 3.48Å; N187-H221 VanDerWaalsContact CG-ND1 3.31Å; N187-H221 PolarHBondContact ND2-ND1 3Å; N187-H221 VanDerWaalsContact ND2-ND1 3.19Å; A216-H221 HydrophobicContact CB-CB 4.32Å; A216-H221 PolarHBondContact O-N 2.9Å; L219-H221 VanDerWaalsContact C-N 3.28Å; L219-H221 WeakPolarHBondContact CB-NE2 3.42Å; L219-H221 PolarHBondContact O-CE1 2.92Å; L219-H221 VanDerWaalsContact O-CE1 3.27Å; L219-H221 PolarHBondContact O-N 3.08Å; L219-H221 PolarHBondContact O-ND1 2.8Å; H221-K223 VanDerWaalsContact C-N 3.27Å; H221-K223 PolarHBondContact O-N 3.38Å; H221-T224 CarbonylContact O-C 3.59Å; H221-T224 WeakPolarHBondContact O-CA 3.28Å; H221-T224 WeakPolarHBondContact O-CB 3.28Å; H221-T224 PolarHBondContact O-N 3.44Å; H221-V225 PolarHBondContact O-N 3.37Å
222K92.7Very high91.8Very high67 Ų6733.4 Ų33.429%0.29116%0.163SC..Hα-helixtrans-38.7-45-177.6-168.7-173.9-165.1172.10115.6N220 R226 E256 V257 L260N220-K222 PolarHBondContact O-N 2.76Å; K222-R226 WeakPolarHBondContact O-CG 3.29Å; K222-R226 PolarHBondContact O-N 3.04Å; K222-E256 WeakPolarHBondContact CD-OE2 3.38Å; K222-E256 VanDerWaalsContact CE-OE2 3.25Å; K222-E256 WeakPolarHBondContact CE-OE2 3.39Å; K222-E256 IonicContact NZ-OE1 2.69Å; K222-E256 PolarHBondContact NZ-OE1 3.48Å; K222-E256 IonicContact NZ-OE2 3.59Å; K222-E256 PolarHBondContact NZ-OE2 2.95Å; K222-V257 HydrophobicContact CB-CG2 4.27Å; K222-L260 HydrophobicContact CG-CD1 3.65Å
223K92.4Very high91.4Very high150 Ų15034 Ų3465%0.65217%0.168SC*.Hα-helixtrans-71.1-39.7179.5-68.1179-178.6173.20112.2V189 H221 L227V189-K223 HydrophobicContact CG2-CB 3.9Å; V189-K223 HydrophobicContact CG2-CD 4.45Å; H221-K223 VanDerWaalsContact C-N 3.27Å; H221-K223 PolarHBondContact O-N 3.38Å; K223-L227 WeakPolarHBondContact O-CG 3.24Å; K223-L227 PolarHBondContact O-N 3.23Å; K223-L227 VanDerWaalsContact O-N 3.15Å
224T93.3Very high91Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-67.8-46.2176-67.60000111.1A184 N187 L192 A216 H221 R226 L227 L228A184-T224 HydrophobicContact CB-CG2 3.96Å; N187-T224 PolarHBondContact OD1-OG1 2.82Å; L192-T224 HydrophobicContact CD1-CG2 3.48Å; L192-T224 VanDerWaalsContact CD1-CG2 3.48Å; L192-T224 WeakPolarHBondContact CD1-OG1 3.4Å; L192-T224 HydrophobicContact CD2-CG2 4.4Å; A216-T224 HydrophobicContact CB-CG2 3.6Å; H221-T224 CarbonylContact O-C 3.59Å; H221-T224 WeakPolarHBondContact O-CA 3.28Å; H221-T224 WeakPolarHBondContact O-CB 3.28Å; H221-T224 PolarHBondContact O-N 3.44Å; T224-R226 VanDerWaalsContact C-N 3.33Å; T224-R226 PolarHBondContact O-N 3.19Å; T224-L227 PolarHBondContact O-N 2.82Å; T224-L228 HydrophobicContact CG2-CD1 3.79Å; T224-L228 HydrophobicContact CG2-CG 4.29Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.39Å; T224-L228 PolarHBondContact O-N 3.09Å
225V93.1Very high90.6Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-55.5-47175.4172.40000111.1L213 A216 H221 L228 L229 V257 L261L213-V225 HydrophobicContact CD1-CG1 4.06Å; A216-V225 HydrophobicContact CB-CG2 3.74Å; H221-V225 PolarHBondContact O-N 3.37Å; V225-L228 PolarHBondContact O-N 3.37Å; V225-L229 HydrophobicContact CG1-CD1 3.93Å; V225-L229 VanDerWaalsContact O-CG 3.29Å; V225-L229 WeakPolarHBondContact O-CG 3.19Å; V225-L229 PolarHBondContact O-N 2.81Å; V225-V257 HydrophobicContact CG1-CG1 4.3Å; V225-V257 HydrophobicContact CG2-CG1 3.92Å; V225-L261 HydrophobicContact CG1-CD2 4.07Å; V225-L261 HydrophobicContact CG1-CG 4.24Å
226R90.7Very high90.2Very high112 Ų11242.5 Ų42.542%0.42321%0.209SC..Hα-helixtrans-58.6-49.8175-73.9-177.6-178.7-161.20.9112.7K222 T224 L228 L229 E230 L260K222-R226 WeakPolarHBondContact O-CG 3.29Å; K222-R226 PolarHBondContact O-N 3.04Å; T224-R226 VanDerWaalsContact C-N 3.33Å; T224-R226 PolarHBondContact O-N 3.19Å; R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 3.45Å; R226-L229 PolarHBondContact O-N 3.39Å; R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 VanDerWaalsContact O-CG 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.4Å; R226-E230 PolarHBondContact O-N 3.25Å; R226-L260 HydrophobicContact CG-CD1 4.14Å; R226-L260 HydrophobicContact CG-CD2 4.38Å
227L90.8Very high89.9Confident17 Ų1744.1 Ų44.19%0.08922%0.218CC..Hα-helixtrans-61.8-36.1178.9-74.5178.5000113.6V189 R193 K223 T224 A231V189-L227 HydrophobicContact CG1-CD1 3.59Å; R193-L227 HydrophobicContact CG-CD1 3.92Å; R193-L227 HydrophobicContact CG-CD2 4.28Å; K223-L227 WeakPolarHBondContact O-CG 3.24Å; K223-L227 PolarHBondContact O-N 3.23Å; K223-L227 VanDerWaalsContact O-N 3.15Å; T224-L227 PolarHBondContact O-N 2.82Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 2.84Å
228L90.3Very high89.8Confident1 Ų149.4 Ų49.41%0.00524%0.242CC..Hα-helixtrans-67.4-45.9176.8-69.3170.8000110.5L180 V202 P212 L213 A216 T224 V225 R226 A231 G232 A233L180-L228 HydrophobicContact CD2-CD2 4.09Å; L180-L228 HydrophobicContact CG-CD2 4.4Å; V202-L228 HydrophobicContact CG1-CD2 3.72Å; P212-L228 HydrophobicContact CB-CD1 4.27Å; P212-L228 HydrophobicContact CB-CD2 4.39Å; P212-L228 WeakPolarHBondContact O-CD1 3.4Å; L213-L228 HydrophobicContact CB-CD1 4.46Å; L213-L228 HydrophobicContact CD1-CB 3.97Å; L213-L228 HydrophobicContact CD1-CD1 4.21Å; A216-L228 HydrophobicContact CB-CD1 4.07Å; T224-L228 HydrophobicContact CG2-CD1 3.79Å; T224-L228 HydrophobicContact CG2-CG 4.29Å; T224-L228 VanDerWaalsContact O-CG 3.32Å; T224-L228 WeakPolarHBondContact O-CG 3.39Å; T224-L228 PolarHBondContact O-N 3.09Å; V225-L228 PolarHBondContact O-N 3.37Å; R226-L228 VanDerWaalsContact C-N 3.32Å; R226-L228 PolarHBondContact O-N 3.45Å; L228-A231 CarbonylContact O-C 3.54Å; L228-A231 PolarHBondContact O-N 2.75Å; L228-A231 VanDerWaalsContact O-N 3.17Å; L228-G232 PolarHBondContact O-N 3.25Å; L228-A233 VanDerWaalsContact C-CB 3.44Å; L228-A233 HydrophobicContact CB-CB 3.92Å; L228-A233 WeakPolarHBondContact O-CB 3.42Å; L228-A233 PolarHBondContact O-N 2.89Å
229L88Confident89.7Confident7 Ų749.1 Ų49.14%0.03724%0.239CC..Hα-helixtrans-63.2-43.3175.2-66170.3000112.2L213 V225 R226 A231 G232 L261 A264 F270L213-L229 HydrophobicContact CD1-CD2 4.3Å; L213-L229 HydrophobicContact CD1-CG 4.25Å; L213-L229 HydrophobicContact CD2-CD2 4.08Å; V225-L229 HydrophobicContact CG1-CD1 3.93Å; V225-L229 VanDerWaalsContact O-CG 3.29Å; V225-L229 WeakPolarHBondContact O-CG 3.19Å; V225-L229 PolarHBondContact O-N 2.81Å; R226-L229 PolarHBondContact O-N 3.39Å; L229-A231 PolarHBondContact O-N 2.74Å; L229-G232 PolarHBondContact O-N 3.17Å; L229-L261 HydrophobicContact CD1-CD2 4.27Å; L229-L261 HydrophobicContact CD2-CD2 4.4Å; L229-A264 HydrophobicContact CD1-CB 3.84Å; L229-A264 HydrophobicContact CD2-CB 3.93Å; L229-A264 HydrophobicContact CG-CB 4.47Å; L229-F270 HydrophobicContact CB-CD1 3.87Å; L229-F270 HydrophobicContact CB-CE1 3.83Å
230E85.9Confident89.7Confident106 Ų10650.7 Ų50.750%0.49525%0.248SC..Hα-helixtrans-57.9-33.6172.9-74.2165-151.200112.1R226 G232 F270R226-E230 WeakPolarHBondContact O-CB 3.39Å; R226-E230 VanDerWaalsContact O-CG 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.4Å; R226-E230 PolarHBondContact O-N 3.25Å; E230-G232 VanDerWaalsContact C-N 3.28Å; E230-G232 PolarHBondContact O-N 3.09Å; E230-F270 HydrophobicContact CG-CD1 4.47Å; E230-F270 HydrophobicContact CG-CE1 4.05Å
231A82.8Confident89.5Confident16 Ų1650.8 Ų50.813%0.13226%0.258CS..THydrogen-bonded Turntrans-84.16.3175.800000114.7L196 L227 L228 L229L196-A231 HydrophobicContact CD1-CB 3.92Å; L196-A231 HydrophobicContact CD2-CB 3.77Å; L196-A231 HydrophobicContact CG-CB 4.35Å; L227-A231 VanDerWaalsContact O-CB 3.32Å; L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 2.84Å; L228-A231 CarbonylContact O-C 3.54Å; L228-A231 PolarHBondContact O-N 2.75Å; L228-A231 VanDerWaalsContact O-N 3.17Å; L229-A231 PolarHBondContact O-N 2.74Å
232G82.7Confident89.4Confident13 Ų1351 Ų5113%0.13427%0.269CS..THydrogen-bonded Turntrans82.825.1178.400000115.1L228 L229 E230L228-G232 PolarHBondContact O-N 3.25Å; L229-G232 PolarHBondContact O-N 3.17Å; E230-G232 VanDerWaalsContact C-N 3.28Å; E230-G232 PolarHBondContact O-N 3.09Å
233A86.5Confident89.4Confident13 Ų1350.6 Ų50.611%0.10727%0.268CS..  trans-59140165.600000110.6V202 L213 L228V202-A233 HydrophobicContact CG1-CB 3.68Å; L213-A233 HydrophobicContact CD2-CB 4.21Å; L228-A233 VanDerWaalsContact C-CB 3.44Å; L228-A233 HydrophobicContact CB-CB 3.92Å; L228-A233 WeakPolarHBondContact O-CB 3.42Å; L228-A233 PolarHBondContact O-N 2.89Å
234D84.8Confident89.4Confident50 Ų5044.2 Ų44.227%0.26724%0.242SC..  trans-95120.5-177.5-155.3-38.7000109.9Q236 I237 R277D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact OD1-N 2.83Å; D234-I237 HydrophobicContact CB-CD1 3.76Å; D234-I237 HydrophobicContact CB-CG1 3.93Å; D234-R277 IonicContact OD2-CZ 2.74Å; D234-R277 IonicContact OD2-NH1 3.88Å; D234-R277 PolarHBondContact OD2-NH1 3.04Å; D234-R277 IonicContact OD2-NH2 2.61Å; D234-R277 PolarHBondContact OD2-NH2 3.29Å
235S86.4Confident89.4Confident11 Ų1144.3 Ų44.38%0.07724%0.243CC..THydrogen-bonded Turntrans-79.8-10.9-178.859.20000113.6
236Q86.2Confident89.4Confident130 Ų13046.4 Ų46.461%0.60725%0.254SS*.THydrogen-bonded Turntrans-97.2-2-177-52.1-54.1-69.500113.2D234 Q238D234-Q236 VanDerWaalsContact C-N 3.29Å; D234-Q236 PolarHBondContact OD1-N 2.83Å; Q236-Q238 PolarHBondContact O-N 3.48Å
237I88.5Confident89.5Confident33 Ų3343.2 Ų43.217%0.16925%0.245CC..  trans-65.1130170.9-66.8168.6000108.4T211 H214 D234T211-I237 HydrophobicContact CG2-CB 4.44Å; T211-I237 HydrophobicContact CG2-CD1 4.35Å; T211-I237 HydrophobicContact CG2-CG2 3.75Å; H214-I237 PolarHBondContact CE1-O 2.84Å; H214-I237 PolarHBondContact NE2-O 3.5Å; D234-I237 HydrophobicContact CB-CD1 3.76Å; D234-I237 HydrophobicContact CB-CG1 3.93Å
238Q92.4Very high89.6Confident111 Ų11143.1 Ų43.152%0.51924%0.244SC..BIsolated β-bridgetrans-95.8148.4171.6-67.3171.8-24.400111K205 Q236 G242 Q243 T244K205-Q238 WeakPolarHBondContact CE-O 3.5Å; K205-Q238 PolarHBondContact NZ-O 3.09Å; Q236-Q238 PolarHBondContact O-N 3.48Å; Q238-G242 VanDerWaalsContact CD-O 3.28Å; Q238-G242 VanDerWaalsContact CG-O 3.28Å; Q238-G242 WeakPolarHBondContact CG-O 3.34Å; Q238-G242 PolarHBondContact NE2-O 3.34Å; Q238-Q243 CarbonylContact C-O 3.56Å; Q238-Q243 VanDerWaalsContact CA-O 3.25Å; Q238-Q243 WeakPolarHBondContact CA-O 3.15Å; Q238-T244 HydrophobicContact CG-CG2 3.87Å
239N92.9Very high89.8Confident9 Ų943.1 Ų43.15%0.04824%0.244CC..  trans-78.6-172.2170.176.9-1.7000112.4G209 D210 A241 G242 Q243 H248G209-N239 WeakPolarHBondContact O-CA 3.21Å; D210-N239 WeakPolarHBondContact OD1-CB 3.3Å; D210-N239 PolarHBondContact OD1-ND2 2.66Å; N239-A241 PolarHBondContact O-N 2.9Å; N239-A241 WeakPolarHBondContact OD1-CA 3.3Å; N239-A241 WeakPolarHBondContact OD1-CB 3.38Å; N239-A241 PolarHBondContact OD1-N 3.36Å; N239-G242 PolarHBondContact O-N 3.26Å; N239-G242 VanDerWaalsContact O-N 3.1Å; N239-G242 PolarHBondContact OD1-N 3.05Å; N239-Q243 PolarHBondContact N-O 3.11Å; N239-Q243 PolarHBondContact OD1-N 3.37Å; N239-Q243 VanDerWaalsContact OD1-N 3.08Å; N239-Q243 PolarHBondContact OD1-O 2.76Å; N239-H248 PolarHBondContact ND2-NE2 3.06Å
240N93.4Very high90Very high114 Ų11450.8 Ų50.861%0.6127%0.272SS*.THydrogen-bonded Turntrans-72.4-11.2-178.1-62.2-11.4000113.3T207 V208 G209T207-N240 PolarHBondContact O-ND2 3.36Å; V208-N240 VanDerWaalsContact O-CB 3.24Å; V208-N240 WeakPolarHBondContact O-CB 3.25Å; V208-N240 PolarHBondContact O-N 3.27Å; V208-N240 VanDerWaalsContact O-N 3.14Å; V208-N240 PolarHBondContact O-ND2 2.87Å; G209-N240 VanDerWaalsContact CA-OD1 3.27Å; G209-N240 WeakPolarHBondContact CA-OD1 3.38Å; G209-N240 PolarHBondContact N-ND2 2.84Å
241A91.4Very high90.3Very high74 Ų7450.6 Ų50.661%0.61228%0.275SS*.THydrogen-bonded Turntrans-95.17.9171.600000112.9N239 Q243N239-A241 PolarHBondContact O-N 2.9Å; N239-A241 WeakPolarHBondContact OD1-CA 3.3Å; N239-A241 WeakPolarHBondContact OD1-CB 3.38Å; N239-A241 PolarHBondContact OD1-N 3.36Å; A241-Q243 HydrophobicContact CB-CG 4.21Å; A241-Q243 PolarHBondContact O-N 3.06Å
242G91.5Very high90.8Very high37 Ų3754.6 Ų54.638%0.38129%0.291SS..SBendtrans76.31.6-178.500000114.8Q238 N239Q238-G242 VanDerWaalsContact CD-O 3.28Å; Q238-G242 VanDerWaalsContact CG-O 3.28Å; Q238-G242 WeakPolarHBondContact CG-O 3.34Å; Q238-G242 PolarHBondContact NE2-O 3.34Å; N239-G242 PolarHBondContact O-N 3.26Å; N239-G242 VanDerWaalsContact O-N 3.1Å; N239-G242 PolarHBondContact OD1-N 3.05Å
243Q92.9Very high91.3Very high58 Ų5860.3 Ų60.327%0.27132%0.318SS..  trans-82.8141.3-177.8-55.9-179.2-67.400111.2H214 Q238 N239 A241 D247 H248 D251H214-Q243 PolarHBondContact NE2-O 3.25Å; Q238-Q243 CarbonylContact C-O 3.56Å; Q238-Q243 VanDerWaalsContact CA-O 3.25Å; Q238-Q243 WeakPolarHBondContact CA-O 3.15Å; N239-Q243 PolarHBondContact N-O 3.11Å; N239-Q243 PolarHBondContact OD1-N 3.37Å; N239-Q243 VanDerWaalsContact OD1-N 3.08Å; N239-Q243 PolarHBondContact OD1-O 2.76Å; A241-Q243 HydrophobicContact CB-CG 4.21Å; A241-Q243 PolarHBondContact O-N 3.06Å; Q243-D247 HydrophobicContact CB-CB 4.32Å; Q243-H248 PolarHBondContact OE1-NE2 2.89Å; Q243-D251 PolarHBondContact NE2-OD2 3.01Å
244T93.4Very high91.6Very high17 Ų1760.4 Ų60.410%0.10432%0.317CS..BIsolated β-bridgetrans-89.1169.8170.871.80000111.8Q238 L246 D247 H248Q238-T244 HydrophobicContact CG-CG2 3.87Å; T244-L246 PolarHBondContact O-N 3.46Å; T244-L246 PolarHBondContact OG1-N 2.92Å; T244-D247 WeakPolarHBondContact CB-OD2 3.5Å; T244-D247 PolarHBondContact N-OD2 3.35Å; T244-D247 PolarHBondContact O-N 2.9Å; T244-D247 PolarHBondContact OG1-N 3.3Å; T244-D247 PolarHBondContact OG1-OD2 3.02Å; T244-H248 PolarHBondContact O-CD2 3.05Å; T244-H248 PolarHBondContact O-N 3.5Å; T244-H248 VanDerWaalsContact O-N 3.09Å
245A92.1Very high91.9Very high1 Ų162.1 Ų62.11%0.00833%0.331CS..Hα-helixtrans-60-25.2170.800000113.2L213 H214 A217 A249 L261L213-A245 HydrophobicContact CB-CB 4.42Å; L213-A245 HydrophobicContact CD2-CB 4.1Å; L213-A245 HydrophobicContact CG-CB 3.9Å; H214-A245 PolarHBondContact CD2-N 3.2Å; H214-A245 PolarHBondContact NE2-N 3.32Å; A217-A245 HydrophobicContact CB-CB 4.21Å; A217-A245 WeakPolarHBondContact CB-O 3.32Å; A245-A249 PolarHBondContact O-N 3.23Å; A245-L261 HydrophobicContact CB-CD1 4.36Å; A245-L261 WeakPolarHBondContact O-CD1 3.47Å
246L93.3Very high92Very high44 Ų4466.5 Ų66.523%0.2335%0.35CS..Hα-helixtrans-70.8-39173.7173.359.9000111.2T244 A249 R250 A258 L261T244-L246 PolarHBondContact O-N 3.46Å; T244-L246 PolarHBondContact OG1-N 2.92Å; L246-A249 WeakPolarHBondContact O-CB 3.5Å; L246-A249 PolarHBondContact O-N 3.49Å; L246-R250 WeakPolarHBondContact O-CG 3.37Å; L246-R250 PolarHBondContact O-N 3.24Å; L246-R250 VanDerWaalsContact O-N 3.12Å; L246-A258 HydrophobicContact CD1-CB 3.81Å; L246-A258 WeakPolarHBondContact CD1-O 3.42Å; L246-L261 HydrophobicContact CB-CB 4.25Å; L246-L261 HydrophobicContact CD1-CB 4.08Å
247D92.9Very high92.3Very high45 Ų4560.3 Ų60.324%0.24132%0.321CS..Hα-helixtrans-69.4-42.7179.5-52.1-55.9000110.3Q243 T244 A249 R250 D251Q243-D247 HydrophobicContact CB-CB 4.32Å; T244-D247 WeakPolarHBondContact CB-OD2 3.5Å; T244-D247 PolarHBondContact N-OD2 3.35Å; T244-D247 PolarHBondContact O-N 2.9Å; T244-D247 PolarHBondContact OG1-N 3.3Å; T244-D247 PolarHBondContact OG1-OD2 3.02Å; D247-A249 VanDerWaalsContact C-N 3.25Å; D247-A249 PolarHBondContact O-N 3Å; D247-R250 CarbonylContact O-C 3.53Å; D247-R250 WeakPolarHBondContact O-CA 3.4Å; D247-R250 WeakPolarHBondContact O-CB 3.26Å; D247-R250 PolarHBondContact O-N 3.17Å; D247-R250 IonicContact OD1-NH1 3.9Å; D247-D251 VanDerWaalsContact O-CG 3.29Å; D247-D251 PolarHBondContact O-N 3.45Å
248H92.8Very high92.5Very high16 Ų1659.4 Ų59.47%0.07432%0.319CS..Hα-helixtrans-54.4-39.2169.4-85-112.3000113.1D210 H214 A218 N239 Q243 T244 R250 H252D210-H248 IonicContact OD1-CE1 3.56Å; D210-H248 PolarHBondContact OD1-CE1 3.31Å; D210-H248 IonicContact OD1-NE2 4Å; D210-H248 IonicContact OD2-CE1 3.17Å; H214-H248 AromaticContact CD2-CD2 3.82Å; A218-H248 HydrophobicContact CB-CB 4.36Å; N239-H248 PolarHBondContact ND2-NE2 3.06Å; Q243-H248 PolarHBondContact OE1-NE2 2.89Å; T244-H248 PolarHBondContact O-CD2 3.05Å; T244-H248 PolarHBondContact O-N 3.5Å; T244-H248 VanDerWaalsContact O-N 3.09Å; H248-R250 VanDerWaalsContact C-N 3.29Å; H248-R250 PolarHBondContact O-N 2.83Å; H248-H252 WeakPolarHBondContact O-CB 3.4Å; H248-H252 PolarHBondContact O-N 3.38Å; H248-H252 PolarHBondContact O-ND1 3.36Å
249A94.4Very high92.4Very high0 Ų058.8 Ų58.80%032%0.318CS..Hα-helixtrans-69.8-23.6175.200000113.4A217 A245 L246 D247 N254 V257 A258 L261A217-A249 HydrophobicContact CB-CB 4.24Å; A245-A249 PolarHBondContact O-N 3.23Å; L246-A249 WeakPolarHBondContact O-CB 3.5Å; L246-A249 PolarHBondContact O-N 3.49Å; D247-A249 VanDerWaalsContact C-N 3.25Å; D247-A249 PolarHBondContact O-N 3Å; A249-N254 HydrophobicContact CB-CB 4.45Å; A249-N254 WeakPolarHBondContact O-CA 3.31Å; A249-N254 WeakPolarHBondContact O-CB 3.42Å; A249-N254 PolarHBondContact O-N 3.45Å; A249-V257 HydrophobicContact CB-CB 4.4Å; A249-V257 HydrophobicContact CB-CG1 3.96Å; A249-A258 HydrophobicContact CB-CB 4.09Å; A249-L261 HydrophobicContact CB-CD1 4.13Å
250R92.9Very high92.2Very high168 Ų16859.8 Ų59.863%0.63432%0.324SS*.Hα-helixtrans-84.7-46.1177.4-68168.970.5-168.62.9111.1L246 D247 H248 H252 N253 A258L246-R250 WeakPolarHBondContact O-CG 3.37Å; L246-R250 PolarHBondContact O-N 3.24Å; L246-R250 VanDerWaalsContact O-N 3.12Å; D247-R250 CarbonylContact O-C 3.53Å; D247-R250 WeakPolarHBondContact O-CA 3.4Å; D247-R250 WeakPolarHBondContact O-CB 3.26Å; D247-R250 PolarHBondContact O-N 3.17Å; D247-R250 IonicContact OD1-NH1 3.9Å; H248-R250 VanDerWaalsContact C-N 3.29Å; H248-R250 PolarHBondContact O-N 2.83Å; R250-H252 VanDerWaalsContact C-N 3.26Å; R250-H252 PolarHBondContact O-N 2.94Å; R250-N253 WeakPolarHBondContact O-CA 3.45Å; R250-N253 PolarHBondContact O-N 3.33Å; R250-A258 HydrophobicContact CG-CB 4.31Å
251D93.1Very high92Very high103 Ų10354.5 Ų54.555%0.55130%0.295SS*.Hα-helixtrans-59.6-37.2178.8-64.2-9.6000111.9Q243 D247 N253Q243-D251 PolarHBondContact NE2-OD2 3.01Å; D247-D251 VanDerWaalsContact O-CG 3.29Å; D247-D251 PolarHBondContact O-N 3.45Å; D251-N253 VanDerWaalsContact C-N 3.33Å
252H91.9Very high91.8Very high100 Ų10054.4 Ų54.446%0.46329%0.287SS..THydrogen-bonded Turntrans-89.68.5176.1-6282.3000113.6A218 H248 R250 N254A218-H252 WeakPolarHBondContact O-CB 3.49Å; H248-H252 WeakPolarHBondContact O-CB 3.4Å; H248-H252 PolarHBondContact O-N 3.38Å; H248-H252 PolarHBondContact O-ND1 3.36Å; R250-H252 VanDerWaalsContact C-N 3.26Å; R250-H252 PolarHBondContact O-N 2.94Å; H252-N254 PolarHBondContact O-N 2.94Å; H252-N254 PolarHBondContact O-OD1 3.46Å
253N92.8Very high91.2Very high132 Ų13257.6 Ų57.671%0.70629%0.29SS*.THydrogen-bonded Turntrans53.251.7178.3-164.715.9000114.7R250 D251 P255R250-N253 WeakPolarHBondContact O-CA 3.45Å; R250-N253 PolarHBondContact O-N 3.33Å; D251-N253 VanDerWaalsContact C-N 3.33Å; N253-P255 VanDerWaalsContact C-CD 3.43Å; N253-P255 WeakPolarHBondContact O-CD 3.4Å
254N94.6Very high90Very high15 Ų1555.2 Ų55.28%0.0828%0.281CS..  trans-107.872.6-179-64.9-36.8000111.8A217 A218 N220 A249 H252 E256 V257 A258A217-N254 PolarHBondContact O-ND2 2.77Å; A218-N254 PolarHBondContact O-ND2 3.11Å; N220-N254 HydrophobicContact CB-CB 4.24Å; N220-N254 VanDerWaalsContact CB-OD1 3.25Å; N220-N254 WeakPolarHBondContact CB-OD1 3.49Å; N220-N254 PolarHBondContact N-ND2 2.85Å; N220-N254 PolarHBondContact ND2-OD1 3.24Å; A249-N254 HydrophobicContact CB-CB 4.45Å; A249-N254 WeakPolarHBondContact O-CA 3.31Å; A249-N254 WeakPolarHBondContact O-CB 3.42Å; A249-N254 PolarHBondContact O-N 3.45Å; H252-N254 PolarHBondContact O-N 2.94Å; H252-N254 PolarHBondContact O-OD1 3.46Å; N254-E256 PolarHBondContact O-N 3.03Å; N254-V257 HydrophobicContact CB-CB 4.24Å; N254-V257 PolarHBondContact O-N 3.05Å; N254-V257 VanDerWaalsContact O-N 3.08Å; N254-A258 PolarHBondContact O-N 3.43Å
255P89.9Confident88.6Confident86 Ų8658.9 Ų58.956%0.55831%0.305SS*.Hα-helixtrans-62.3-34.9-167.824.1-35.7000114.2N253 V257 L259N253-P255 VanDerWaalsContact C-CD 3.43Å; N253-P255 WeakPolarHBondContact O-CD 3.4Å; P255-V257 VanDerWaalsContact C-N 3.31Å; P255-V257 PolarHBondContact O-N 2.97Å; P255-L259 VanDerWaalsContact O-CB 3.27Å; P255-L259 WeakPolarHBondContact O-CB 3.27Å; P255-L259 PolarHBondContact O-N 2.93Å
256E89.4Confident86.9Confident104 Ų10465.4 Ų65.449%0.48634%0.335SS..Hα-helixtrans-66.5-33.8177.4-65.3-152.9111.700113K222 N254 L260K222-E256 WeakPolarHBondContact CD-OE2 3.38Å; K222-E256 VanDerWaalsContact CE-OE2 3.25Å; K222-E256 WeakPolarHBondContact CE-OE2 3.39Å; K222-E256 IonicContact NZ-OE1 2.69Å; K222-E256 PolarHBondContact NZ-OE1 3.48Å; K222-E256 IonicContact NZ-OE2 3.59Å; K222-E256 PolarHBondContact NZ-OE2 2.95Å; N254-E256 PolarHBondContact O-N 3.03Å; E256-L260 WeakPolarHBondContact O-CG 3.39Å; E256-L260 PolarHBondContact O-N 3.4Å
257V92.4Very high85Confident0 Ų066.7 Ų66.70%035%0.345CS..Hα-helixtrans-80.6-41.4179.6171.30000110.4A217 N220 K222 V225 A249 N254 P255 L259 L260 L261A217-V257 HydrophobicContact CB-CG1 4.07Å; N220-V257 WeakPolarHBondContact OD1-CG2 3.47Å; K222-V257 HydrophobicContact CB-CG2 4.27Å; V225-V257 HydrophobicContact CG1-CG1 4.3Å; V225-V257 HydrophobicContact CG2-CG1 3.92Å; A249-V257 HydrophobicContact CB-CB 4.4Å; A249-V257 HydrophobicContact CB-CG1 3.96Å; N254-V257 HydrophobicContact CB-CB 4.24Å; N254-V257 PolarHBondContact O-N 3.05Å; N254-V257 VanDerWaalsContact O-N 3.08Å; P255-V257 VanDerWaalsContact C-N 3.31Å; P255-V257 PolarHBondContact O-N 2.97Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 2.61Å; V257-L260 PolarHBondContact O-N 3.41Å; V257-L260 VanDerWaalsContact O-N 3.15Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.44Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.29Å
258A91.5Very high82.7Confident14 Ų1472.7 Ų72.712%0.11637%0.371CS..Hα-helixtrans-55.8-48.4170.500000111.1L246 A249 R250 N254 L260 L261 T262L246-A258 HydrophobicContact CD1-CB 3.81Å; L246-A258 WeakPolarHBondContact CD1-O 3.42Å; A249-A258 HydrophobicContact CB-CB 4.09Å; R250-A258 HydrophobicContact CG-CB 4.31Å; N254-A258 PolarHBondContact O-N 3.43Å; A258-L260 VanDerWaalsContact C-N 3.28Å; A258-L260 PolarHBondContact O-N 2.86Å; A258-L261 PolarHBondContact O-N 2.91Å; A258-L261 VanDerWaalsContact O-N 3.13Å; A258-T262 PolarHBondContact O-N 3.25Å; A258-T262 PolarHBondContact O-OG1 3.04Å; A258-T262 VanDerWaalsContact O-OG1 3.05Å
259L90.5Very high80.7Confident98 Ų9875.6 Ų75.651%0.51339%0.394SS..Hα-helixtrans-60.6-33.8176.9-176.663.4000113.4P255 V257 K263P255-L259 VanDerWaalsContact O-CB 3.27Å; P255-L259 WeakPolarHBondContact O-CB 3.27Å; P255-L259 PolarHBondContact O-N 2.93Å; V257-L259 VanDerWaalsContact C-N 3.33Å; V257-L259 PolarHBondContact O-N 2.61Å; L259-K263 HydrophobicContact CD1-CD 4.39Å; L259-K263 HydrophobicContact CG-CD 4.5Å; L259-K263 WeakPolarHBondContact O-CB 3.09Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 3.39Å
260L89.3Confident78.8Confident30 Ų3077.9 Ų77.916%0.15740%0.403CS..Hα-helixtrans-71.6-40.3174.3-79.1166.7000112.3K222 R226 E256 V257 A258 K263 A264K222-L260 HydrophobicContact CG-CD1 3.65Å; R226-L260 HydrophobicContact CG-CD1 4.14Å; R226-L260 HydrophobicContact CG-CD2 4.38Å; E256-L260 WeakPolarHBondContact O-CG 3.39Å; E256-L260 PolarHBondContact O-N 3.4Å; V257-L260 PolarHBondContact O-N 3.41Å; V257-L260 VanDerWaalsContact O-N 3.15Å; A258-L260 VanDerWaalsContact C-N 3.28Å; A258-L260 PolarHBondContact O-N 2.86Å; L260-K263 PolarHBondContact O-N 3.27Å; L260-A264 PolarHBondContact O-N 2.98Å
261L88.4Confident76.7Confident3 Ų374.5 Ų74.52%0.01640%0.396CS..Hα-helixtrans-69.5-38.7178.8-71.3164.7000111.9L213 A217 V225 L229 A245 L246 A249 V257 A258 K263 A264 P265L213-L261 HydrophobicContact CD1-CD2 4.28Å; L213-L261 HydrophobicContact CD2-CD2 4.12Å; L213-L261 HydrophobicContact CG-CD2 4.31Å; A217-L261 HydrophobicContact CB-CD1 3.97Å; V225-L261 HydrophobicContact CG1-CD2 4.07Å; V225-L261 HydrophobicContact CG1-CG 4.24Å; L229-L261 HydrophobicContact CD1-CD2 4.27Å; L229-L261 HydrophobicContact CD2-CD2 4.4Å; A245-L261 HydrophobicContact CB-CD1 4.36Å; A245-L261 WeakPolarHBondContact O-CD1 3.47Å; L246-L261 HydrophobicContact CB-CB 4.25Å; L246-L261 HydrophobicContact CD1-CB 4.08Å; A249-L261 HydrophobicContact CB-CD1 4.13Å; V257-L261 HydrophobicContact CG1-CD1 3.81Å; V257-L261 HydrophobicContact CG1-CG 4.44Å; V257-L261 WeakPolarHBondContact O-CG 3.45Å; V257-L261 PolarHBondContact O-N 3.29Å; A258-L261 PolarHBondContact O-N 2.91Å; A258-L261 VanDerWaalsContact O-N 3.13Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 PolarHBondContact O-N 2.86Å; L261-A264 WeakPolarHBondContact O-CB 3.19Å; L261-A264 PolarHBondContact O-N 2.79Å; L261-P265 WeakPolarHBondContact O-CD 3.49Å
262T86.9Confident74.6Confident72 Ų7279.2 Ų79.244%0.44241%0.406SS..Hα-helixtrans-62.4-33.3171.9-53.50000112.5A258A258-T262 PolarHBondContact O-N 3.25Å; A258-T262 PolarHBondContact O-OG1 3.04Å; A258-T262 VanDerWaalsContact O-OG1 3.05Å
263K79.6Confident72.9Confident103 Ų10374.5 Ų74.545%0.44839%0.385SS..Hα-helixtrans-85.7-17177.5-71.1179.6177.6-175.40113.9L259 L260 L261 Q266L259-K263 HydrophobicContact CD1-CD 4.39Å; L259-K263 HydrophobicContact CG-CD 4.5Å; L259-K263 WeakPolarHBondContact O-CB 3.09Å; L259-K263 WeakPolarHBondContact O-CG 3.42Å; L259-K263 PolarHBondContact O-N 3.39Å; L260-K263 PolarHBondContact O-N 3.27Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 PolarHBondContact O-N 2.86Å; K263-Q266 WeakPolarHBondContact O-CB 3.42Å; K263-Q266 PolarHBondContact O-N 3.08Å
264A68.9Low71.1Confident9 Ų976.6 Ų76.67%0.07438%0.383CS..G310 helixtrans-52.8-45.3-179.600000115L229 L260 L261 Q266 F270L229-A264 HydrophobicContact CD1-CB 3.84Å; L229-A264 HydrophobicContact CD2-CB 3.93Å; L229-A264 HydrophobicContact CG-CB 4.47Å; L260-A264 PolarHBondContact O-N 2.98Å; L261-A264 WeakPolarHBondContact O-CB 3.19Å; L261-A264 PolarHBondContact O-N 2.79Å; A264-Q266 PolarHBondContact O-N 2.93Å; A264-F270 WeakPolarHBondContact O-CD2 3.46Å
265P62Low69.3Low93 Ų9380.5 Ų80.560%0.60441%0.408SS*.G310 helixtrans-71.8-11.8177.828-35.3000114.4L261L261-P265 WeakPolarHBondContact O-CD 3.49Å
266Q56.8Low68Low138 Ų13879.2 Ų79.265%0.64540%0.398SS*.G310 helixtrans-95.4-22.2-170.5-62.4171.3-1300113.7K263 A264K263-Q266 WeakPolarHBondContact O-CB 3.42Å; K263-Q266 PolarHBondContact O-N 3.08Å; A264-Q266 PolarHBondContact O-N 2.93Å
267V53.8Low66.7Low71 Ų7178.8 Ų78.843%0.4339%0.392SS..  trans-101.6119.1-172.5-167.70000111.4S269 F270V267-S269 WeakPolarHBondContact CG1-OG 3.44Å; V267-S269 PolarHBondContact O-N 3.28Å; V267-F270 HydrophobicContact CB-CD2 3.83Å; V267-F270 HydrophobicContact CB-CE2 3.87Å; V267-F270 HydrophobicContact CG2-CE2 4.27Å; V267-F270 PolarHBondContact O-N 3.4Å; V267-F270 VanDerWaalsContact O-N 3.08Å
268Q45.5Very low65.4Low172 Ų17287.2 Ų87.280%0.80443%0.428SS*.Hα-helixtrans-58.7-21-175.9-62.6179.4-0.500114.5F270 M271Q268-F270 VanDerWaalsContact C-N 3.27Å; Q268-F270 PolarHBondContact O-N 2.93Å; Q268-M271 WeakPolarHBondContact O-CB 3.43Å; Q268-M271 PolarHBondContact O-N 2.77Å
269S51.2Low64.1Low77 Ų7794.9 Ų94.954%0.53845%0.454SS..Hα-helixtrans-59.1-36.4174.357.10000112.7V267 M271 R272V267-S269 WeakPolarHBondContact CG1-OG 3.44Å; V267-S269 PolarHBondContact O-N 3.28Å; S269-M271 VanDerWaalsContact C-N 3.3Å; S269-M271 PolarHBondContact O-N 3.29Å; S269-R272 VanDerWaalsContact O-CB 3.28Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.08Å
270F53.6Low63.1Low47 Ų4790.9 Ų90.921%0.20643%0.432CS..Hα-helixtrans-73.5-20.4176.7-56.2-63.5000112.7L229 E230 A264 V267 Q268 R272 G273L229-F270 HydrophobicContact CB-CD1 3.87Å; L229-F270 HydrophobicContact CB-CE1 3.83Å; E230-F270 HydrophobicContact CG-CD1 4.47Å; E230-F270 HydrophobicContact CG-CE1 4.05Å; A264-F270 WeakPolarHBondContact O-CD2 3.46Å; V267-F270 HydrophobicContact CB-CD2 3.83Å; V267-F270 HydrophobicContact CB-CE2 3.87Å; V267-F270 HydrophobicContact CG2-CE2 4.27Å; V267-F270 PolarHBondContact O-N 3.4Å; V267-F270 VanDerWaalsContact O-N 3.08Å; Q268-F270 VanDerWaalsContact C-N 3.27Å; Q268-F270 PolarHBondContact O-N 2.93Å; F270-R272 PolarHBondContact O-N 2.72Å; F270-G273 VanDerWaalsContact O-CA 3.3Å; F270-G273 WeakPolarHBondContact O-CA 3.38Å; F270-G273 PolarHBondContact O-N 3.07Å
271M47.8Very low62.1Low97 Ų9793 Ų9348%0.47844%0.442SS..Hα-helixtrans-67.6-22.3173.6-69.5-78.1-80.200112.5Q268 S269 G273 R274Q268-M271 WeakPolarHBondContact O-CB 3.43Å; Q268-M271 PolarHBondContact O-N 2.77Å; S269-M271 VanDerWaalsContact C-N 3.3Å; S269-M271 PolarHBondContact O-N 3.29Å; M271-G273 PolarHBondContact O-N 3.14Å; M271-R274 WeakPolarHBondContact O-CB 3.37Å; M271-R274 PolarHBondContact O-N 3.05Å; M271-R274 HydrophobicContact SD-CG 4.33Å; M271-R274 VanDerWaalsContact SD-CZ 3.58Å; M271-R274 PolarHBondContact SD-NE 3.35Å
272R50.6Low61.3Low202 Ų20299.9 Ų99.976%0.76247%0.471SS*.Hα-helixtrans-58.3-27165.9-155.2179.1-163.9-174.96.6111.6S269 F270 R274 T275 V276S269-R272 VanDerWaalsContact O-CB 3.28Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.08Å; F270-R272 PolarHBondContact O-N 2.72Å; R272-R274 VanDerWaalsContact C-N 3.27Å; R272-R274 PolarHBondContact O-N 3.15Å; R272-T275 PolarHBondContact O-N 2.87Å; R272-T275 PolarHBondContact O-OG1 3.06Å; R272-T275 VanDerWaalsContact O-OG1 3.07Å; R272-V276 WeakPolarHBondContact O-CG2 3.45Å; R272-V276 PolarHBondContact O-N 3.32Å
273G54.7Low60.2Low2 Ų299.4 Ų99.42%0.02147%0.466CS..Hα-helixtrans-60.9-26.117000000114.2F270 M271 R277F270-G273 VanDerWaalsContact O-CA 3.3Å; F270-G273 WeakPolarHBondContact O-CA 3.38Å; F270-G273 PolarHBondContact O-N 3.07Å; M271-G273 PolarHBondContact O-N 3.14Å; G273-R277 WeakPolarHBondContact O-CB 3.35Å; G273-R277 PolarHBondContact O-N 3.22Å
274R55.1Low59.6Low175 Ų17596.1 Ų96.166%0.6645%0.451SS*.Hα-helixtrans-70.1-42.2178-68.9-170.4177.8-175.23.1112.4M271 R272 R277 K278M271-R274 WeakPolarHBondContact O-CB 3.37Å; M271-R274 PolarHBondContact O-N 3.05Å; M271-R274 HydrophobicContact SD-CG 4.33Å; M271-R274 VanDerWaalsContact SD-CZ 3.58Å; M271-R274 PolarHBondContact SD-NE 3.35Å; R272-R274 VanDerWaalsContact C-N 3.27Å; R272-R274 PolarHBondContact O-N 3.15Å; R274-R277 PolarHBondContact O-N 3.36Å; R274-K278 PolarHBondContact O-N 3.28Å
275T57.6Low59.3Low98 Ų9898.3 Ų98.360%0.60147%0.469SS*.Hα-helixtrans-71.3-35.6175.456.60000111.3R272 K278 R279R272-T275 PolarHBondContact O-N 2.87Å; R272-T275 PolarHBondContact O-OG1 3.06Å; R272-T275 VanDerWaalsContact O-OG1 3.07Å; T275-K278 PolarHBondContact O-N 3.24Å; T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.47Å; T275-R279 PolarHBondContact O-N 3.48Å
276V61.5Low59.4Low58 Ų5897 Ų9735%0.35246%0.457SS..Hα-helixtrans-62.8-43.7170.8173.30000111.7R272 R279 R280R272-V276 WeakPolarHBondContact O-CG2 3.45Å; R272-V276 PolarHBondContact O-N 3.32Å; V276-R279 PolarHBondContact O-N 3.38Å; V276-R280 VanDerWaalsContact O-CB 3.27Å; V276-R280 WeakPolarHBondContact O-CB 3.38Å; V276-R280 PolarHBondContact O-N 3.41Å
277R63.3Low59.6Low96 Ų9696.7 Ų96.736%0.36245%0.45SS..Hα-helixtrans-61.3-48.6175.2-174.4172.1176.1-175-2.5111.2D234 G273 R274 R279 R280 E281D234-R277 IonicContact OD2-CZ 2.74Å; D234-R277 IonicContact OD2-NH1 3.88Å; D234-R277 PolarHBondContact OD2-NH1 3.04Å; D234-R277 IonicContact OD2-NH2 2.61Å; D234-R277 PolarHBondContact OD2-NH2 3.29Å; G273-R277 WeakPolarHBondContact O-CB 3.35Å; G273-R277 PolarHBondContact O-N 3.22Å; R274-R277 PolarHBondContact O-N 3.36Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 PolarHBondContact O-N 3.17Å; R277-R280 PolarHBondContact O-N 3.02Å; R277-E281 WeakPolarHBondContact O-CG 3.47Å; R277-E281 PolarHBondContact O-N 3.25Å
278K64.9Low59.7Low176 Ų176101.6 Ų101.677%0.76546%0.461SS*.Hα-helixtrans-61.5-39.2175.9-166.6173-176177.30112.5R274 T275 K282R274-K278 PolarHBondContact O-N 3.28Å; T275-K278 PolarHBondContact O-N 3.24Å; K278-K282 PolarHBondContact O-N 3.09Å; K278-K282 VanDerWaalsContact O-N 3.11Å
279R64.4Low59.8Low176 Ų17697.5 Ų97.566%0.66446%0.456SS*.Hα-helixtrans-67.9-39.1174.9-175.8174.8179.8165.51.1112.5T275 V276 R277 L283T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.47Å; T275-R279 PolarHBondContact O-N 3.48Å; V276-R279 PolarHBondContact O-N 3.38Å; R277-R279 VanDerWaalsContact C-N 3.35Å; R277-R279 PolarHBondContact O-N 3.17Å; R279-L283 HydrophobicContact CG-CD1 4.2Å; R279-L283 WeakPolarHBondContact O-CG 3.28Å; R279-L283 PolarHBondContact O-N 3.34Å
280R69.1Low59.7Low14 Ų14104 Ų1045%0.05347%0.469CS..Hα-helixtrans-67.4-46.5176.5171.8175.9-90.6165.3-23.1111.7L196 F199 C200 V276 R277 K282 L283 K284L196-R280 PolarHBondContact O-NH2 3.18Å; F199-R280 PolarHBondContact O-NE 3.48Å; C200-R280 WeakPolarHBondContact O-CD 3.5Å; C200-R280 PolarHBondContact O-NE 3.48Å; C200-R280 PolarHBondContact O-NH2 3.42Å; V276-R280 VanDerWaalsContact O-CB 3.27Å; V276-R280 WeakPolarHBondContact O-CB 3.38Å; V276-R280 PolarHBondContact O-N 3.41Å; R277-R280 PolarHBondContact O-N 3.02Å; R280-K282 VanDerWaalsContact C-N 3.33Å; R280-K282 PolarHBondContact O-N 2.91Å; R280-L283 CarbonylContact O-C 3.55Å; R280-L283 PolarHBondContact O-N 3.38Å; R280-K284 WeakPolarHBondContact O-CB 3.35Å; R280-K284 PolarHBondContact O-N 2.79Å
281E67.6Low59Low75 Ų75104.2 Ų104.235%0.3548%0.476SS..Hα-helixtrans-62.9-38.6176.2-70-57141.900111.8R277 K284 A285R277-E281 WeakPolarHBondContact O-CG 3.47Å; R277-E281 PolarHBondContact O-N 3.25Å; E281-K284 WeakPolarHBondContact O-CB 3.24Å; E281-K284 PolarHBondContact O-N 2.91Å; E281-K284 IonicContact OE1-NZ 3.57Å; E281-K284 PolarHBondContact OE1-NZ 2.94Å; E281-K284 WeakPolarHBondContact OE2-CD 3.46Å; E281-K284 IonicContact OE2-NZ 2.72Å; E281-A285 PolarHBondContact O-N 3.06Å
282K72.1Confident58.3Low147 Ų147105.4 Ų105.464%0.63949%0.489SS*.Hα-helixtrans-59.9-49171-173.9170.2-179.3173.60111.8K278 R280 K284 A285 D286K278-K282 PolarHBondContact O-N 3.09Å; K278-K282 VanDerWaalsContact O-N 3.11Å; R280-K282 VanDerWaalsContact C-N 3.33Å; R280-K282 PolarHBondContact O-N 2.91Å; K282-K284 VanDerWaalsContact C-N 3.26Å; K282-K284 PolarHBondContact O-N 3.03Å; K282-A285 WeakPolarHBondContact O-CB 3.5Å; K282-A285 PolarHBondContact O-N 3.38Å; K282-D286 PolarHBondContact O-N 3.08Å
283L65.3Low57.5Low61 Ų61100.7 Ų100.732%0.31948%0.484SS..Hα-helixtrans-67.2-23.8177.3-71168.5000113.6F199 R279 R280 R287F199-L283 HydrophobicContact CD1-CD1 4.37Å; F199-L283 HydrophobicContact CE1-CD1 4.24Å; F199-L283 HydrophobicContact CZ-CD1 4.41Å; R279-L283 HydrophobicContact CG-CD1 4.2Å; R279-L283 WeakPolarHBondContact O-CG 3.28Å; R279-L283 PolarHBondContact O-N 3.34Å; R280-L283 CarbonylContact O-C 3.55Å; R280-L283 PolarHBondContact O-N 3.38Å; L283-R287 WeakPolarHBondContact O-CB 3.41Å; L283-R287 WeakPolarHBondContact O-CG 3.32Å; L283-R287 PolarHBondContact O-N 3.44Å
284K65.2Low56.6Low34 Ų34112.4 Ų112.415%0.14853%0.528CS..Hα-helixtrans-69.8-44.1171.7-168.6-172.7-166.2174.60110.3S201 E204 R280 E281 K282 R287 R288S201-K284 PolarHBondContact OG-NZ 3.08Å; E204-K284 IonicContact OE1-NZ 3.46Å; E204-K284 PolarHBondContact OE1-NZ 3.44Å; R280-K284 WeakPolarHBondContact O-CB 3.35Å; R280-K284 PolarHBondContact O-N 2.79Å; E281-K284 WeakPolarHBondContact O-CB 3.24Å; E281-K284 PolarHBondContact O-N 2.91Å; E281-K284 IonicContact OE1-NZ 3.57Å; E281-K284 PolarHBondContact OE1-NZ 2.94Å; E281-K284 WeakPolarHBondContact OE2-CD 3.46Å; E281-K284 IonicContact OE2-NZ 2.72Å; K282-K284 VanDerWaalsContact C-N 3.26Å; K282-K284 PolarHBondContact O-N 3.03Å; K284-R287 PolarHBondContact O-N 3.04Å; K284-R288 WeakPolarHBondContact O-CG 3.26Å; K284-R288 PolarHBondContact O-N 3.22Å
285A63.2Low55.4Low55 Ų55111 Ų11146%0.45553%0.534SS..Hα-helixtrans-62.9-48.1170.900000111.5E281 K282 R287 R288 A289E281-A285 PolarHBondContact O-N 3.06Å; K282-A285 WeakPolarHBondContact O-CB 3.5Å; K282-A285 PolarHBondContact O-N 3.38Å; A285-R287 PolarHBondContact O-N 3.25Å; A285-R288 PolarHBondContact O-N 2.95Å; A285-R288 VanDerWaalsContact O-N 3.14Å; A285-A289 WeakPolarHBondContact O-CB 3.35Å; A285-A289 PolarHBondContact O-N 3.38Å
286D63.5Low54.3Low66 Ų66115.7 Ų115.735%0.35355%0.549SS..Hα-helixtrans-58.3-35.1176.7-62.2-30.3000112.2K282 R290K282-D286 PolarHBondContact O-N 3.08Å; D286-R290 WeakPolarHBondContact O-CD 3.5Å; D286-R290 WeakPolarHBondContact O-CG 3.45Å; D286-R290 PolarHBondContact O-N 3.28Å
287R61.2Low53Low131 Ų131121.2 Ų121.249%0.49457%0.573SS.*Hα-helixtrans-73.1-42.7174.5-83.2-178.8172.8176.40.4112.8A198 L283 K284 A285 A289 R290 S291A198-R287 PolarHBondContact O-NH1 3.43Å; A198-R287 PolarHBondContact O-NH2 2.86Å; L283-R287 WeakPolarHBondContact O-CB 3.41Å; L283-R287 WeakPolarHBondContact O-CG 3.32Å; L283-R287 PolarHBondContact O-N 3.44Å; K284-R287 PolarHBondContact O-N 3.04Å; A285-R287 PolarHBondContact O-N 3.25Å; R287-A289 VanDerWaalsContact C-N 3.33Å; R287-A289 PolarHBondContact O-N 3.11Å; R287-R290 PolarHBondContact O-N 3.18Å; R287-R290 VanDerWaalsContact O-N 3.13Å; R287-S291 PolarHBondContact O-N 3.28Å; R287-S291 PolarHBondContact O-OG 3.45Å
288R57.1Low51.4Low175 Ų175124.8 Ų124.866%0.6660%0.598SS**Hα-helixtrans-60-43.1174.7-75.2178176.7-169.3-2.1111.3K284 A285 R290 S291K284-R288 WeakPolarHBondContact O-CG 3.26Å; K284-R288 PolarHBondContact O-N 3.22Å; A285-R288 PolarHBondContact O-N 2.95Å; A285-R288 VanDerWaalsContact O-N 3.14Å; R288-R290 PolarHBondContact O-N 3.15Å; R288-S291 PolarHBondContact O-N 3.08Å; R288-S291 PolarHBondContact O-OG 3.47Å
289A47.8Very low49.7Very low85 Ų85121.9 Ų121.970%0.70260%0.6SS**Hα-helixtrans-66.6-20.9176.100000114A285 R287A285-A289 WeakPolarHBondContact O-CB 3.35Å; A285-A289 PolarHBondContact O-N 3.38Å; R287-A289 VanDerWaalsContact C-N 3.33Å; R287-A289 PolarHBondContact O-N 3.11Å
290R47.5Very low47.8Very low214 Ų214119.4 Ų119.481%0.80861%0.608SS**Hα-helixtrans-93-15175.4-72.4171.3-175.1-143.3-1113.7D286 R287 R288 V292D286-R290 WeakPolarHBondContact O-CD 3.5Å; D286-R290 WeakPolarHBondContact O-CG 3.45Å; D286-R290 PolarHBondContact O-N 3.28Å; R287-R290 PolarHBondContact O-N 3.18Å; R287-R290 VanDerWaalsContact O-N 3.13Å; R288-R290 PolarHBondContact O-N 3.15Å; R290-V292 PolarHBondContact O-N 3.1Å
291S39.2Very low45.9Very low51 Ų51125.4 Ų125.436%0.35764%0.641SS.*  trans-93.472.6176.961.50000111R287 R288R287-S291 PolarHBondContact O-N 3.28Å; R287-S291 PolarHBondContact O-OG 3.45Å; R288-S291 PolarHBondContact O-N 3.08Å; R288-S291 PolarHBondContact O-OG 3.47Å
292V33.5Very low44Very low123 Ų123128 Ų12875%0.74566%0.658SS**  trans-63.7129.9165.3-1770000108.4R290 R294R290-V292 PolarHBondContact O-N 3.1Å; V292-R294 PolarHBondContact O-N 2.92Å
293P33.9Very low41.9Very low102 Ų102126.3 Ų126.366%0.66267%0.665SS**  trans-64.5128.9171.4-19.232.4000110.9D295P293-D295 HydrophobicContact CB-CB 4.27Å
294R36.4Very low40Very low249 Ų249128.2 Ų128.294%0.9469%0.689SS**  trans-93.879.4156.2-89-175.2165.3-179.2-6.1107.1V292V292-R294 PolarHBondContact O-N 2.92Å
295D29.9Very low38.2Very low145 Ų145132.1 Ų132.178%0.77572%0.72SS**  trans-135.417.7180-107.7-25.4000112.1P293P293-D295 HydrophobicContact CB-CB 4.27Å
296E33.9Very low36.5Very low196 Ų196134.1 Ų134.192%0.91674%0.737SS**SBendtrans-121.248.7174.7-69.8-173.5170.600111.4
297M33.5Very low34.9Very low174 Ų174135 Ų13586%0.85775%0.753SS**SBendtrans-141.8136.1156.7-70.9-171.77400108.4
298L30.6Very low33.4Very low172 Ų172136.8 Ų136.890%0.90177%0.773SS**SBendtrans85.749.8177.6-49.3179.9000118.2
299S28.2Very low31.9Very low115 Ų115131.5 Ų131.580%0.80477%0.773SS**  -164.6151.112938.40000108.3
300C25.2Very low30.9Very low124 Ų124133.4 Ų133.484%0.83878%0.776SS**  cis-113.8169.817.3-61.50000114.3
301N30Very low29.8Very low139 Ų139132 Ų13274%0.74378%0.778SS**  trans-97.2175.5168.8-132.253.6000110.2
302D26Very low29.1Very low130 Ų130134.1 Ų134.170%0.69579%0.793SS**  trans73100.9155.6-55-20.7000120.4
303S29.4Very low28.9Very low112 Ų112133.4 Ų133.478%0.78379%0.794SS**  106.4108.1120.7-63.10000121.5
304A25.6Very low28.6Very low100 Ų100135.9 Ų135.983%0.82680%0.802SS**  85.7118122.300000122.2
305S26.3Very low28.4Very low116 Ų116129.7 Ų129.781%0.81179%0.794SS**  114.8135.6122.8-155.10000118.2
306A28Very low28.1Very low97 Ų97127 Ų12780%0.80279%0.791SS**  trans62139.6161.900000118.1
307A29.3Very low27.7Very low84 Ų84122.4 Ų122.469%0.69479%0.787SS**  cis-153.1178.8-8.900000110
308D29.1Very low27.4Very low169 Ų169118.7 Ų118.790%0.90478%0.778SS**  trans17.9142.1152-46.2-27.6000120.9
309G26.8Very low27.2Very low64 Ų64118.4 Ų118.466%0.6678%0.776SS**  cis162.4151.9-0.800000112.2
310T26.4Very low27.1Very low126 Ų126116.8 Ų116.877%0.77377%0.77SS**  trans36.8132.3160.430.40000122.7
311Q25.5Very low27.2Very low184 Ų184119.4 Ų119.486%0.8677%0.77SS**  trans69.2162.9152.2-63.1170.733.300116
312S23.7Very low27.1Very low96 Ų96116.5 Ų116.567%0.67177%0.765SS**  cis-172.9157.2-30.2178.60000107.6
313S28.7Very low27.3Very low108 Ų108117.2 Ų117.276%0.75577%0.769SS**  trans72.7129.8160-45.30000119
314D27.4Very low27.2Very low154 Ų154117.1 Ų117.182%0.82477%0.768SS**  trans-65.9157.2156.7-61.2-78.7000111.4
315P33.4Very low27.4Very low119 Ų119123.1 Ų123.177%0.77377%0.77SS**  -128.3136.2100.75.516.1000112.4
316A23.1Very low27.4Very low88 Ų88126.8 Ų126.873%0.72777%0.774SS**  56.892.580.200000114
317A26.2Very low27.3Very low99 Ų99131.5 Ų131.582%0.81878%0.78SS**  100.1166.398.200000111.9
318S25.8Very low27.3Very low97 Ų97137.3 Ų137.368%0.67879%0.789SS**  cis-161.6178.617.961.60000113.5
319L27.3Very low27.2Very low165 Ų165134.2 Ų134.286%0.86479%0.787SS**  trans77.3143.4162.9-61.6161.4000117.3
320A26.3Very low27.3Very low82 Ų82142.7 Ų142.768%0.67880%0.799SS**  cis-156.9163.8-2.200000108.1
321E26.9Very low27.2Very low178 Ų178145.8 Ų145.883%0.83280%0.802SS**  cis-154.9141.82.7-115.2173.216500107.2
322A27.5Very low27.3Very low78 Ų78145.8 Ų145.865%0.64580%0.802SS**  69.9144.385.400000116.1
323N29.6Very low27.4Very low146 Ų146150.1 Ų150.178%0.78181%0.809SS**  cis-168.2147.2-16.1-120.2-40.4000112.7
324S28.3Very low27.3Very low109 Ų109153.5 Ų153.576%0.76281%0.813SS**  trans171.2104.3149.133.90000111
325R29.3Very low27.4Very low227 Ų227155.4 Ų155.486%0.85781%0.814SS**  5797.789.8-65.2-175.4-178.9-173.81113.7
326Q27.6Very low27.4Very low192 Ų192155.3 Ų155.390%0.89781%0.813SS**  56.9121.383.1-82.2-165.1-11.400115.7
327E24.6Very low27.4Very low197 Ų197155.8 Ų155.892%0.92181%0.811SS**  -160.5176.7127.5-125.8-179.4-167.400113.9
328K30.6Very low27.4Very low206 Ų206159.3 Ų159.390%0.89682%0.815SS**  trans-113.1150.1-177.4-61.2170.3-177.9168.70110.6
329A26.5Very low27.4Very low104 Ų104160.7 Ų160.786%0.8683%0.825SS**  trans-133.2150.5171.800000113.9
330R28.3Very low27.3Very low241 Ų241160.4 Ų160.491%0.90982%0.819SS**  trans-125.6174.8175.5-82.7177162.5179.1-5.3109.4
331K25.6Very low27.8Very low192 Ų192161.5 Ų161.584%0.83582%0.819SS**  trans101.6132.7174.2-60.6169.9179.6-178.90112.3
332Q26.9Very low27.9Very low184 Ų184159.1 Ų159.186%0.8681%0.812SS**  cis99.8134.131.6-77.5-173.9-24.400114
333K26.1Very low28Very low187 Ų187165.1 Ų165.181%0.81382%0.817SS**  trans-7.4146.3165.2-66.8177.4174.1-178.40117.8
334E25Very low27.8Very low179 Ų179167 Ų16784%0.83681%0.814SS**  -161.7-157.964-144.8134-115.600115.6
335K29.9Very low27.8Very low194 Ų194172.8 Ų172.884%0.84382%0.819SS**  trans-122.3171.7-177.8-58.5-178.7179.2-179.90111.8
336P33.3Very low27.7Very low116 Ų116167.9 Ų167.975%0.75381%0.806SS**  -154.5179.197.239.8-20.6000117.4
337S24.5Very low27.8Very low99 Ų99166.8 Ų166.869%0.69280%0.804SS**  trans38.5125.8152.753.10000121.8
338L26.4Very low27.9Very low172 Ų172167.7 Ų167.790%0.90180%0.799SS**  cis93.6109.943.2-79.4174000115.5
339S26Very low27.9Very low126 Ų126169.5 Ų169.588%0.88180%0.8SS**  trans-166.6151.213550.20000111.6
340E24.3Very low28.1Very low159 Ų159172.6 Ų172.674%0.74379%0.794SS**  trans-125.2165178-145.3-161.2118.600107.7L342E340-L342 PolarHBondContact OE1-N 3.37Å; E340-L342 VanDerWaalsContact OE1-N 3.13Å
341P37.1Very low28.1Very low105 Ų105169.1 Ų169.168%0.68279%0.794SS**  -157.9139.983.635.6-13.4000118.9
342L28.7Very low28.5Very low129 Ų129168.3 Ų168.368%0.67579%0.79SS**  trans67.3153.9139.9-54.5172.1000119.4E340E340-L342 PolarHBondContact OE1-N 3.37Å; E340-L342 VanDerWaalsContact OE1-N 3.13Å
343R28.8Very low28.6Very low204 Ų204166.4 Ų166.477%0.7779%0.791SS**  cis-157148.13-135.9173.1-168.3-151.74.8114.2
344R25.1Very low28.9Very low185 Ų185165.8 Ų165.870%0.69879%0.791SS**  trans47.8125139.9-179.2173.6-85-138.8-12.5119E346R344-E346 IonicContact NH2-OE1 3.97Å
345R28.8Very low29Very low230 Ų230161.2 Ų161.287%0.86879%0.792SS**  -157.4157.872.4-160.5169.3-175.6167.9-0.3114.9
346E27.4Very low29.1Very low125 Ų125157 Ų15758%0.58479%0.793SS**  trans-82.3159.4-175.4-4894.8142.700114.8R344R344-E346 IonicContact NH2-OE1 3.97Å
347I29.5Very low29Very low168 Ų168157.3 Ų157.386%0.86280%0.798SS**  -161.4129.9111.6-91148.5000108.4
348R28.1Very low30.2Very low217 Ų217157.3 Ų157.382%0.81980%0.796SS**  trans-149.5101.5172.4-172.6176.2-176.4176.73.5110.8
349R29.1Very low30.4Very low244 Ų244160.2 Ų160.292%0.92180%0.797SS**  trans-73130.7169.7-74.7-177.7171.8172-3.2109.6
350K31.2Very low31Very low168 Ų168157.7 Ų157.773%0.7379%0.79SS**  trans-115.7133163.9-69.9179.1179.5175.90107.1
351N28.8Very low31.7Very low169 Ų169156.1 Ų156.190%0.90480%0.797SS**  trans-110.9131.2153-81.67.4000108
352K33.3Very low31.6Very low174 Ų174159 Ų15976%0.75780%0.804SS**  trans-96.9146.5161.3-82.7-174.3169.7-167.80107.7
353T30.1Very low32.6Very low144 Ų144158.1 Ų158.188%0.88381%0.807SS**  trans-136.6100.9155.740.80000108.6
354H32.3Very low33.9Very low175 Ų175152.7 Ų152.781%0.8180%0.798SS**  trans-86.2138.3151.1-71.4-92.1000106.7
355G26.8Very low34.4Very low83 Ų83151.5 Ų151.586%0.85680%0.8SS**  trans-139.199.8176.900000110
356A31.7Very low35Very low105 Ų105147.1 Ų147.187%0.86879%0.794SS**  trans-142.8122.7169.300000107.5
357S31.1Very low35.4Very low123 Ų123152.4 Ų152.486%0.8681%0.81SS**  trans-158.4150.5175.9-162.10000109
358P49.5Very low36.3Very low99 Ų99153.8 Ų153.864%0.64381%0.81SS**  trans-121-154.3-157.842.4-27.7000113.9
359Y30.7Very low36.9Very low233 Ų233147.7 Ų147.791%0.91481%0.806SS**  trans90147.5175.9-62.9-76000117.8
360G38.5Very low37.7Very low73 Ų73146.4 Ų146.475%0.75380%0.803SS**  trans-167.8144.4169.400000111.5
361S38.2Very low38.7Very low125 Ų125145.1 Ų145.187%0.87480%0.799SS**  trans-167.5160.9164.949.10000109.9
362I36.5Very low39.8Very low165 Ų165145 Ų14585%0.84680%0.798SS**  trans-152.3155.3-156.3-77.8173000107.6
363P49.9Very low40.8Very low111 Ų111142.8 Ų142.872%0.72179%0.785SS**  cis-119.8-134.55.641-21.6000110.3
364P55.1Low42.5Very low90 Ų90141.2 Ų141.258%0.58478%0.776SS**  cis-132.1153-29.431.1-11.5000116.5
365H34.8Very low44Very low161 Ų161138 Ų13875%0.74576%0.764SS**  162.9139.2111.8-94.1-66.4000116.1
366N43.3Very low45.7Very low137 Ų137139.8 Ų139.873%0.73375%0.746SS**  trans20101.1149-67.4-19.9000120.1
367Y35.3Very low47.2Very low236 Ų236144 Ų14493%0.92574%0.739SS**  -136.8148.6114.6-96.3-80.7000109.3A369Y367-A369 PolarHBondContact O-N 3.14Å
368K48.6Very low48.7Very low198 Ų198139.2 Ų139.286%0.86171%0.709SS**  trans-76.280.3-175.1-71-178178.2177.90111.8Y370K368-Y370 PolarHBondContact O-N 3.49Å
369A39.3Very low49Very low89 Ų89144.8 Ų144.874%0.73672%0.723SS**  trans-72.1120.3164.300000109.7Y367 Q371Y367-A369 PolarHBondContact O-N 3.14Å; A369-Q371 PolarHBondContact O-N 2.87Å
370Y47Very low50.4Low217 Ų217140.2 Ų140.285%0.85172%0.715SS**  trans-68.6111.3173.9-68-88000109.7K368 L372K368-Y370 PolarHBondContact O-N 3.49Å; Y370-L372 PolarHBondContact O-N 3.34Å
371Q52.4Low51.8Low140 Ų140138.1 Ų138.165%0.65469%0.694SS**  trans-72.497171.2-77.5-177.9-37.500109.8A369 Y373A369-Q371 PolarHBondContact O-N 2.87Å; Q371-Y373 HydrophobicContact CB-CE1 4.11Å; Q371-Y373 HydrophobicContact CB-CE2 4.39Å; Q371-Y373 PolarHBondContact O-N 3.15Å; Q371-Y373 VanDerWaalsContact O-N 3.12Å; Q371-Y373 PolarHBondContact OE1-OH 2.87Å
372L51.7Low52.9Low167 Ų167139.1 Ų139.187%0.87468%0.682SS**  trans-66.6101.7167-83141.1000109.2Y370Y370-L372 PolarHBondContact O-N 3.34Å
373Y55Low54Low127 Ų127136.9 Ų136.950%0.49867%0.671SS.*  trans-82.8121.6173-62.1-58.9000110.7Q371 L375 Q385Q371-Y373 HydrophobicContact CB-CE1 4.11Å; Q371-Y373 HydrophobicContact CB-CE2 4.39Å; Q371-Y373 PolarHBondContact O-N 3.15Å; Q371-Y373 VanDerWaalsContact O-N 3.12Å; Q371-Y373 PolarHBondContact OE1-OH 2.87Å; Y373-L375 PolarHBondContact O-N 3.21Å; Y373-Q385 HydrophobicContact CD1-CG 4.27Å; Y373-Q385 HydrophobicContact CG-CG 4.38Å
374T63.8Low54.6Low111 Ų111136.2 Ų136.268%0.68166%0.659SS**  trans-70.799.4169.4-41.70000109A386T374-A386 PolarHBondContact O-N 3.42Å
375L64.8Low54.8Low107 Ų107136.9 Ų136.956%0.5665%0.654SS**EExtended strand (participates in β ladder)trans-88.5134.1177-61.4-179.5000109.9Y373 I383 M384 Q385Y373-L375 PolarHBondContact O-N 3.21Å; L375-I383 HydrophobicContact CB-CG2 3.76Å; L375-I383 HydrophobicContact CD1-CG2 4.01Å; L375-I383 HydrophobicContact CD2-CG2 4.37Å; L375-I383 HydrophobicContact CG-CG2 4.26Å; L375-M384 WeakPolarHBondContact CA-O 3.4Å; L375-Q385 HydrophobicContact CD2-CB 4.3Å; L375-Q385 HydrophobicContact CD2-CG 4.45Å
376Y61.8Low56Low122 Ų122131.3 Ų131.348%0.47864%0.636SS.*EExtended strand (participates in β ladder)trans-128.3154.4174.866.9-80.9000110.6M384Y376-M384 WeakPolarHBondContact CD1-O 3.36Å; Y376-M384 HydrophobicContact CE1-CB 4.12Å; Y376-M384 HydrophobicContact CE2-CB 4.2Å; Y376-M384 PolarHBondContact N-O 3.22Å; Y376-M384 PolarHBondContact O-N 2.87Å
377R64.6Low56.6Low192 Ų192128.7 Ų128.773%0.72563%0.627SS**EExtended strand (participates in β ladder)trans-92.2123.6-178.9-150.4174.4-168.5-175.51.7109.7G381R377-G381 WeakPolarHBondContact CG-O 3.1Å; R377-G381 PolarHBondContact NE-O 3.42Å
378G60.9Low57.6Low23 Ų23125.4 Ų125.424%0.23762%0.624CS.*  trans-67.3164.2170.800000111.5D380 G381 K382G378-D380 PolarHBondContact O-N 2.96Å; G378-D380 VanDerWaalsContact O-N 3.12Å; G378-G381 PolarHBondContact O-N 3.12Å; G378-K382 PolarHBondContact N-O 2.91Å
379K57.6Low58Low216 Ų216123.3 Ų123.394%0.93962%0.622SS**THydrogen-bonded Turntrans-56.8-28.3175.4-66.1-173.2177-174.90112.2G381K379-G381 PolarHBondContact O-N 3.42Å
380D59.8Low59Low137 Ų137121.3 Ų121.373%0.73361%0.611SS**THydrogen-bonded Turntrans-83.714.5178.9-27.6-42.1000113G378 K382G378-D380 PolarHBondContact O-N 2.96Å; G378-D380 VanDerWaalsContact O-N 3.12Å; D380-K382 PolarHBondContact O-N 3.44Å
381G66.9Low59.7Low30 Ų30113.5 Ų113.531%0.30959%0.587SS.*SBendtrans73.5-9.5177.500000116.1R377 G378 K379R377-G381 WeakPolarHBondContact CG-O 3.1Å; R377-G381 PolarHBondContact NE-O 3.42Å; G378-G381 PolarHBondContact O-N 3.12Å; K379-G381 PolarHBondContact O-N 3.42Å
382K62.6Low60.1Low145 Ų145118.2 Ų118.263%0.6360%0.599SS**  trans-74143.6178-65.8174.4-177.2172.80111.5G378 D380G378-K382 PolarHBondContact N-O 2.91Å; D380-K382 PolarHBondContact O-N 3.44Å
383I58.9Low60.7Low118 Ų118113.1 Ų113.161%0.60558%0.576SS**EExtended strand (participates in β ladder)trans-87.7126.2178.3-57.4176.4000108.4L375L375-I383 HydrophobicContact CB-CG2 3.76Å; L375-I383 HydrophobicContact CD1-CG2 4.01Å; L375-I383 HydrophobicContact CD2-CG2 4.37Å; L375-I383 HydrophobicContact CG-CG2 4.26Å
384M62.9Low61.6Low97 Ų97110.7 Ų110.748%0.47857%0.572SS.*EExtended strand (participates in β ladder)trans-121146-175.9-62.2-61.6-69.700110.7L375 Y376L375-M384 WeakPolarHBondContact CA-O 3.4Å; Y376-M384 WeakPolarHBondContact CD1-O 3.36Å; Y376-M384 HydrophobicContact CE1-CB 4.12Å; Y376-M384 HydrophobicContact CE2-CB 4.2Å; Y376-M384 PolarHBondContact N-O 3.22Å; Y376-M384 PolarHBondContact O-N 2.87Å
385Q59.1Low62.3Low105 Ų105109.8 Ų109.849%0.49157%0.568SS.*EExtended strand (participates in β ladder)trans-83.6138.6175.4-163.6176.328.100110Y373 L375Y373-Q385 HydrophobicContact CD1-CG 4.27Å; Y373-Q385 HydrophobicContact CG-CG 4.38Å; L375-Q385 HydrophobicContact CD2-CB 4.3Å; L375-Q385 HydrophobicContact CD2-CG 4.45Å
386A58.7Low63Low43 Ų43110 Ų11036%0.35557%0.569SS.*PPolyproline II helixtrans-62.3131.8171.400000111.1T374T374-A386 PolarHBondContact O-N 3.42Å
387P57.8Low63.8Low83 Ų83108.3 Ų108.354%0.53957%0.568SS.*PPolyproline II helixtrans-58.2142.6168.9-22.834.1000110.9N389P387-N389 PolarHBondContact O-N 2.85Å; P387-N389 VanDerWaalsContact O-N 3.13Å
388L54.7Low64.7Low166 Ų166101.4 Ų101.487%0.86955%0.549SS*.SBendtrans-64.6-16.8-176.8-73.5163.7000114.3
389N56.9Low66Low155 Ų155106.5 Ų106.583%0.82956%0.564SS**SBendtrans-120.588-174.5-65.7-8.1000111.4P387P387-N389 PolarHBondContact O-N 2.85Å; P387-N389 VanDerWaalsContact O-N 3.13Å
390G60.4Low67.4Low47 Ų47101.4 Ų101.449%0.48555%0.547SS..  trans74.4164.217000000115.7D394G390-D394 WeakPolarHBondContact CA-OD2 3.33Å
391C62.4Low68.7Low53 Ų53100.9 Ų100.936%0.35854%0.54SS..  trans-94.2150.6172.282.50000110.6C393 D394C391-C393 HydrophobicContact CB-CB 4.45Å; C391-C393 WeakPolarHBondContact CB-SG 3.24Å; C391-C393 PolarHBondContact O-N 2.87Å; C391-C393 VanDerWaalsContact SG-CA 3.54Å; C391-C393 WeakPolarHBondContact SG-CB 3.5Å; C391-C393 PolarHBondContact SG-N 2.83Å; C391-C393 CovalentContact SG-SG 2.04Å; C391-C393 PolarHBondContact SG-SG 2.88Å; C391-D394 PolarHBondContact N-OD2 3.15Å; C391-D394 PolarHBondContact O-N 3.34Å; C391-D394 VanDerWaalsContact O-OD2 3.13Å; C391-D394 PolarHBondContact SG-N 2.99Å; C391-D394 PolarHBondContact SG-OD1 2.85Å
392R60.9Low69.9Low239 Ų239105 Ų10590%0.90256%0.555SS**THydrogen-bonded Turntrans-64.8-4172.2-67.3-171.4178.3-139.21.2113.4
393C63.9Low71.2Confident59 Ų59103.2 Ų103.240%0.39955%0.549SS..THydrogen-bonded Turntrans-81.5-24.1171.122.70000114.1C391 L396 L397C391-C393 HydrophobicContact CB-CB 4.45Å; C391-C393 WeakPolarHBondContact CB-SG 3.24Å; C391-C393 PolarHBondContact O-N 2.87Å; C391-C393 VanDerWaalsContact SG-CA 3.54Å; C391-C393 WeakPolarHBondContact SG-CB 3.5Å; C391-C393 PolarHBondContact SG-N 2.83Å; C391-C393 CovalentContact SG-SG 2.04Å; C391-C393 PolarHBondContact SG-SG 2.88Å; C393-L396 WeakPolarHBondContact O-CA 3.29Å; C393-L396 WeakPolarHBondContact O-CB 3.47Å; C393-L396 PolarHBondContact O-N 3.31Å; C393-L397 HydrophobicContact CB-CD1 4.03Å; C393-L397 HydrophobicContact CB-CG 4.27Å; C393-L397 WeakPolarHBondContact O-CG 3.43Å; C393-L397 PolarHBondContact O-N 3.31Å
394D73.6Confident72.7Confident77 Ų77103.2 Ų103.241%0.41255%0.55SS..Hα-helixtrans-56.7-40.1-172.1-58.9-36.5000113.9G390 C391 L396 S398G390-D394 WeakPolarHBondContact CA-OD2 3.33Å; C391-D394 PolarHBondContact N-OD2 3.15Å; C391-D394 PolarHBondContact O-N 3.34Å; C391-D394 VanDerWaalsContact O-OD2 3.13Å; C391-D394 PolarHBondContact SG-N 2.99Å; C391-D394 PolarHBondContact SG-OD1 2.85Å; D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.46Å; D394-S398 WeakPolarHBondContact O-CB 3.38Å; D394-S398 PolarHBondContact O-N 2.95Å; D394-S398 PolarHBondContact O-OG 3.12Å
395P78.6Confident74Confident91 Ų91102.6 Ų102.659%0.59155%0.545SS*.Hα-helixtrans-71-17.9174.9-19.334.1000114.7S398 K399P395-S398 WeakPolarHBondContact CA-OG 3.33Å; P395-K399 WeakPolarHBondContact O-CB 3.38Å
396L79.3Confident75.6Confident113 Ų11399.9 Ų99.959%0.59254%0.541SS*.Hα-helixtrans-91.3-40.6176.6-65.9174.6000111.1C393 D394 K399 L400C393-L396 WeakPolarHBondContact O-CA 3.29Å; C393-L396 WeakPolarHBondContact O-CB 3.47Å; C393-L396 PolarHBondContact O-N 3.31Å; D394-L396 VanDerWaalsContact C-N 3.28Å; D394-L396 PolarHBondContact O-N 3.46Å; L396-K399 PolarHBondContact O-N 3.17Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.91Å
397L79.1Confident77.1Confident86 Ų86101 Ų10145%0.4554%0.543SS..Hα-helixtrans-60.3-53.8173.1-69.8171.5000110.2C393 K399 L400 E401C393-L397 HydrophobicContact CB-CD1 4.03Å; C393-L397 HydrophobicContact CB-CG 4.27Å; C393-L397 WeakPolarHBondContact O-CG 3.43Å; C393-L397 PolarHBondContact O-N 3.31Å; L397-K399 PolarHBondContact O-N 3.03Å; L397-L400 CarbonylContact O-C 3.58Å; L397-L400 WeakPolarHBondContact O-CA 3.45Å; L397-L400 PolarHBondContact O-N 2.92Å; L397-E401 WeakPolarHBondContact O-CG 3.47Å; L397-E401 PolarHBondContact O-N 3.22Å
398S82.7Confident78.7Confident46 Ų46101.4 Ų101.432%0.32254%0.537SS..Hα-helixtrans-59.1-31176.154.70000113.4D394 P395 E401 N402D394-S398 WeakPolarHBondContact O-CB 3.38Å; D394-S398 PolarHBondContact O-N 2.95Å; D394-S398 PolarHBondContact O-OG 3.12Å; P395-S398 WeakPolarHBondContact CA-OG 3.33Å; S398-E401 WeakPolarHBondContact CA-OE2 3.4Å; S398-N402 WeakPolarHBondContact O-CB 3.46Å; S398-N402 PolarHBondContact O-N 3.13Å; S398-N402 PolarHBondContact O-ND2 3.41Å
399K88.3Confident80.6Confident130 Ų13097.5 Ų97.557%0.56551%0.514SS*.Hα-helixtrans-68.9-42.1172.7-172.1174.6-179.2179.80112.3P395 L396 L397 Q403P395-K399 WeakPolarHBondContact O-CB 3.38Å; L396-K399 PolarHBondContact O-N 3.17Å; L397-K399 PolarHBondContact O-N 3.03Å; K399-Q403 WeakPolarHBondContact O-CG 3.32Å; K399-Q403 PolarHBondContact O-N 3.39Å
400L87.6Confident82.3Confident109 Ų10995.8 Ų95.857%0.57150%0.501SS*.Hα-helixtrans-68-38.8176.1-70.6167.6000112L396 L397 Q403 L404L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.91Å; L397-L400 CarbonylContact O-C 3.58Å; L397-L400 WeakPolarHBondContact O-CA 3.45Å; L397-L400 PolarHBondContact O-N 2.92Å; L400-Q403 PolarHBondContact O-N 3.41Å; L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 2.98Å
401E87.6Confident83.7Confident126 Ų12699.1 Ų99.159%0.58951%0.506SS*.Hα-helixtrans-61.8-45.8174.1-71.2170.4163.200111.5L397 S398 Q403 L404 E405L397-E401 WeakPolarHBondContact O-CG 3.47Å; L397-E401 PolarHBondContact O-N 3.22Å; S398-E401 WeakPolarHBondContact CA-OE2 3.4Å; E401-Q403 VanDerWaalsContact C-N 3.32Å; E401-Q403 PolarHBondContact O-N 3.12Å; E401-L404 PolarHBondContact O-N 2.79Å; E401-E405 WeakPolarHBondContact O-CB 3.4Å; E401-E405 PolarHBondContact O-N 2.83Å
402N91.9Very high85.1Confident118 Ų118100.6 Ų100.663%0.63151%0.506SS*.Hα-helixtrans-64-35175-80-67.9000112.3S398 A406S398-N402 WeakPolarHBondContact O-CB 3.46Å; S398-N402 PolarHBondContact O-N 3.13Å; S398-N402 PolarHBondContact O-ND2 3.41Å; N402-A406 VanDerWaalsContact O-CB 3.28Å; N402-A406 WeakPolarHBondContact O-CB 3.47Å; N402-A406 PolarHBondContact O-N 3.48Å
403Q89.6Confident86.6Confident106 Ų10693.6 Ų93.650%0.49549%0.49SS..Hα-helixtrans-69.2-40.1173.3-74178.4-49.500112.2K399 L400 E401 A406 T407K399-Q403 WeakPolarHBondContact O-CG 3.32Å; K399-Q403 PolarHBondContact O-N 3.39Å; L400-Q403 PolarHBondContact O-N 3.41Å; E401-Q403 VanDerWaalsContact C-N 3.32Å; E401-Q403 PolarHBondContact O-N 3.12Å; Q403-A406 PolarHBondContact O-N 3.32Å; Q403-T407 WeakPolarHBondContact O-CG2 3.42Å; Q403-T407 PolarHBondContact O-N 3.42Å; Q403-T407 PolarHBondContact O-OG1 3.24Å
404L89.8Confident88Confident119 Ų11997.2 Ų97.262%0.62350%0.501SS*.Hα-helixtrans-63.7-46.8175.7-171.275.2000111.2L400 E401 A406 T407 K408L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 2.98Å; E401-L404 PolarHBondContact O-N 2.79Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.08Å; L404-T407 PolarHBondContact O-N 3.02Å; L404-T407 PolarHBondContact O-OG1 3.44Å; L404-K408 WeakPolarHBondContact O-CB 3.3Å; L404-K408 PolarHBondContact O-N 3.21Å
405E91Very high88.8Confident83 Ų8397.9 Ų97.939%0.38850%0.504SS..Hα-helixtrans-66.9-35.7178.6-160.467.8-165.300111.5E401 K408 E409E401-E405 WeakPolarHBondContact O-CB 3.4Å; E401-E405 PolarHBondContact O-N 2.83Å; E405-K408 WeakPolarHBondContact O-CB 2.94Å; E405-K408 PolarHBondContact O-N 3.15Å; E405-K408 IonicContact OE1-NZ 2.75Å; E405-K408 PolarHBondContact OE1-NZ 3.01Å; E405-K408 WeakPolarHBondContact OE2-CD 3.29Å; E405-K408 IonicContact OE2-NZ 2.9Å; E405-K408 PolarHBondContact OE2-NZ 2.9Å; E405-E409 PolarHBondContact O-N 2.97Å
406A92.6Very high89.5Confident48 Ų4899.1 Ų99.140%0.39750%0.501SS..Hα-helixtrans-60.7-53.6172.200000112.1N402 Q403 L404 K408 E409 E410N402-A406 VanDerWaalsContact O-CB 3.28Å; N402-A406 WeakPolarHBondContact O-CB 3.47Å; N402-A406 PolarHBondContact O-N 3.48Å; Q403-A406 PolarHBondContact O-N 3.32Å; L404-A406 VanDerWaalsContact C-N 3.34Å; L404-A406 PolarHBondContact O-N 3.08Å; A406-K408 PolarHBondContact O-N 3.22Å; A406-E409 PolarHBondContact O-N 3.3Å; A406-E409 VanDerWaalsContact O-N 3.11Å; A406-E410 WeakPolarHBondContact O-CG 3.42Å; A406-E410 PolarHBondContact O-N 3.5Å
407T90Very high90.2Very high66 Ų6696.6 Ų96.641%0.40550%0.497SS..Hα-helixtrans-61.5-30.817855.50000112.9Q403 L404 E410 M411Q403-T407 WeakPolarHBondContact O-CG2 3.42Å; Q403-T407 PolarHBondContact O-N 3.42Å; Q403-T407 PolarHBondContact O-OG1 3.24Å; L404-T407 PolarHBondContact O-N 3.02Å; L404-T407 PolarHBondContact O-OG1 3.44Å; T407-E410 PolarHBondContact O-N 3.41Å; T407-M411 WeakPolarHBondContact O-CB 3.21Å; T407-M411 VanDerWaalsContact O-CG 3.29Å; T407-M411 WeakPolarHBondContact O-CG 3.15Å; T407-M411 PolarHBondContact O-N 2.86Å
408K92.6Very high90.9Very high93 Ų9396.8 Ų96.840%0.40450%0.501SS..Hα-helixtrans-70.6-38.3174.5177.1-161.5-176.9-165.10112.6L404 E405 A406 K412L404-K408 WeakPolarHBondContact O-CB 3.3Å; L404-K408 PolarHBondContact O-N 3.21Å; E405-K408 WeakPolarHBondContact O-CB 2.94Å; E405-K408 PolarHBondContact O-N 3.15Å; E405-K408 IonicContact OE1-NZ 2.75Å; E405-K408 PolarHBondContact OE1-NZ 3.01Å; E405-K408 WeakPolarHBondContact OE2-CD 3.29Å; E405-K408 IonicContact OE2-NZ 2.9Å; E405-K408 PolarHBondContact OE2-NZ 2.9Å; A406-K408 PolarHBondContact O-N 3.22Å; K408-K412 VanDerWaalsContact O-CG 3.25Å; K408-K412 WeakPolarHBondContact O-CG 3.16Å; K408-K412 PolarHBondContact O-N 3.31Å
409E92.8Very high91.3Very high84 Ų8499.7 Ų99.739%0.39351%0.51SS..Hα-helixtrans-70.3-38.6170.2-66.3-48.5133.600112E405 A406 K412 T413E405-E409 PolarHBondContact O-N 2.97Å; A406-E409 PolarHBondContact O-N 3.3Å; A406-E409 VanDerWaalsContact O-N 3.11Å; E409-K412 WeakPolarHBondContact O-CB 3.4Å; E409-K412 PolarHBondContact O-N 3.25Å; E409-K412 IonicContact OE1-NZ 3.9Å; E409-K412 PolarHBondContact OE1-NZ 3.46Å; E409-K412 VanDerWaalsContact OE2-CD 3.22Å; E409-K412 WeakPolarHBondContact OE2-CD 3.32Å; E409-K412 IonicContact OE2-NZ 2.63Å; E409-K412 PolarHBondContact OE2-NZ 3.27Å; E409-T413 WeakPolarHBondContact O-CG2 3.45Å; E409-T413 PolarHBondContact O-N 3.49Å; E409-T413 PolarHBondContact O-OG1 3.05Å
410E93.8Very high91.5Very high119 Ų11999 Ų9956%0.55651%0.512SS*.Hα-helixtrans-56.7-54.6172.3-71.3171.1165.300110.6A406 T407 K412 T413 E414A406-E410 WeakPolarHBondContact O-CG 3.42Å; A406-E410 PolarHBondContact O-N 3.5Å; T407-E410 PolarHBondContact O-N 3.41Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 PolarHBondContact O-N 2.92Å; E410-T413 PolarHBondContact O-N 3.18Å; E410-T413 PolarHBondContact O-OG1 2.88Å; E410-E414 PolarHBondContact O-N 2.96Å
411M88.8Confident91.9Very high117 Ų11798.6 Ų98.658%0.57651%0.51SS*.Hα-helixtrans-56.8-38.5175.3-74-177.773.600112.9T407 E414 I415T407-M411 WeakPolarHBondContact O-CB 3.21Å; T407-M411 VanDerWaalsContact O-CG 3.29Å; T407-M411 WeakPolarHBondContact O-CG 3.15Å; T407-M411 PolarHBondContact O-N 2.86Å; M411-E414 PolarHBondContact O-N 2.96Å; M411-I415 WeakPolarHBondContact O-CD1 3.32Å; M411-I415 VanDerWaalsContact O-CG1 3.25Å; M411-I415 WeakPolarHBondContact O-CG1 3.36Å; M411-I415 PolarHBondContact O-N 3.45Å
412K92.4Very high92Very high83 Ų8396.5 Ų96.536%0.36151%0.506SS..Hα-helixtrans-61.9-45.6172.8-77.2165.4176.4179.50111.3K408 E409 E410 E414 I415 H416K408-K412 VanDerWaalsContact O-CG 3.25Å; K408-K412 WeakPolarHBondContact O-CG 3.16Å; K408-K412 PolarHBondContact O-N 3.31Å; E409-K412 WeakPolarHBondContact O-CB 3.4Å; E409-K412 PolarHBondContact O-N 3.25Å; E409-K412 IonicContact OE1-NZ 3.9Å; E409-K412 PolarHBondContact OE1-NZ 3.46Å; E409-K412 VanDerWaalsContact OE2-CD 3.22Å; E409-K412 WeakPolarHBondContact OE2-CD 3.32Å; E409-K412 IonicContact OE2-NZ 2.63Å; E409-K412 PolarHBondContact OE2-NZ 3.27Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 PolarHBondContact O-N 2.92Å; K412-E414 VanDerWaalsContact C-N 3.34Å; K412-E414 PolarHBondContact O-N 3.46Å; K412-I415 PolarHBondContact O-N 3.1Å; K412-H416 PolarHBondContact O-N 2.81Å; K412-H416 PolarHBondContact O-ND1 3.02Å
413T93.4Very high91.9Very high93 Ų9395.6 Ų95.657%0.57150%0.501SS*.Hα-helixtrans-65.3-36.4179.461.10000112.3E409 E410 H416 A417E409-T413 WeakPolarHBondContact O-CG2 3.45Å; E409-T413 PolarHBondContact O-N 3.49Å; E409-T413 PolarHBondContact O-OG1 3.05Å; E410-T413 PolarHBondContact O-N 3.18Å; E410-T413 PolarHBondContact O-OG1 2.88Å; T413-H416 PolarHBondContact O-N 2.96Å; T413-A417 WeakPolarHBondContact O-CB 3.47Å; T413-A417 PolarHBondContact O-N 2.82Å
414E93.7Very high92.2Very high134 Ų13497.5 Ų97.563%0.62651%0.508SS*.Hα-helixtrans-62.7-45.8171.9-68-168.1148.100111.9E410 M411 K412 H416 A417 V418E410-E414 PolarHBondContact O-N 2.96Å; M411-E414 PolarHBondContact O-N 2.96Å; K412-E414 VanDerWaalsContact C-N 3.34Å; K412-E414 PolarHBondContact O-N 3.46Å; E414-H416 PolarHBondContact O-N 3.37Å; E414-A417 PolarHBondContact O-N 2.98Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 3.44Å
415I89.4Confident92.3Very high92 Ų9297.6 Ų97.647%0.47250%0.503SS..Hα-helixtrans-58.6-47.7176.3-70.3163.5000110.8M411 K412 A417 V418 E419M411-I415 WeakPolarHBondContact O-CD1 3.32Å; M411-I415 VanDerWaalsContact O-CG1 3.25Å; M411-I415 WeakPolarHBondContact O-CG1 3.36Å; M411-I415 PolarHBondContact O-N 3.45Å; K412-I415 PolarHBondContact O-N 3.1Å; I415-A417 VanDerWaalsContact C-N 3.34Å; I415-A417 PolarHBondContact O-N 3.18Å; I415-V418 PolarHBondContact O-N 3.46Å; I415-E419 WeakPolarHBondContact O-CG 3.42Å; I415-E419 PolarHBondContact O-N 3.34Å
416H92.7Very high92.2Very high116 Ų11699.2 Ų99.254%0.53751%0.512SS..Hα-helixtrans-64-38.3178.1-72.271.6000111.9K412 T413 E414 E419 D420K412-H416 PolarHBondContact O-N 2.81Å; K412-H416 PolarHBondContact O-ND1 3.02Å; T413-H416 PolarHBondContact O-N 2.96Å; E414-H416 PolarHBondContact O-N 3.37Å; H416-E419 PolarHBondContact O-N 3.02Å; H416-D420 WeakPolarHBondContact O-CB 3.45Å; H416-D420 PolarHBondContact O-N 3.39Å
417A94.7Very high92.2Very high61 Ų6198.1 Ų98.150%0.50451%0.505SS..Hα-helixtrans-66.4-35.6175.800000112.7T413 E414 I415 L421T413-A417 WeakPolarHBondContact O-CB 3.47Å; T413-A417 PolarHBondContact O-N 2.82Å; E414-A417 PolarHBondContact O-N 2.98Å; I415-A417 VanDerWaalsContact C-N 3.34Å; I415-A417 PolarHBondContact O-N 3.18Å; A417-L421 WeakPolarHBondContact O-CB 3.33Å; A417-L421 PolarHBondContact O-N 3.47Å
418V93.6Very high92.1Very high89 Ų8999.2 Ų99.254%0.53951%0.506SS..Hα-helixtrans-68.7-43.4172.4170.40000110.9E414 I415 L421 V422E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 3.44Å; I415-V418 PolarHBondContact O-N 3.46Å; V418-L421 PolarHBondContact O-N 3.15Å; V418-V422 HydrophobicContact CG1-CG2 4.44Å; V418-V422 WeakPolarHBondContact O-CB 3.37Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.5Å
419E90.6Very high91.9Very high108 Ų10899.9 Ų99.951%0.50551%0.513SS..Hα-helixtrans-59.8-46.5174.5-74.2-175.4172.900111.7I415 H416 L421 V422 N423I415-E419 WeakPolarHBondContact O-CG 3.42Å; I415-E419 PolarHBondContact O-N 3.34Å; H416-E419 PolarHBondContact O-N 3.02Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 2.83Å; E419-V422 PolarHBondContact O-N 3.15Å; E419-N423 WeakPolarHBondContact O-CB 3.48Å; E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.42Å; E419-N423 PolarHBondContact O-ND2 3.32Å; E419-N423 VanDerWaalsContact O-ND2 3.09Å
420D93.4Very high91.8Very high115 Ų11599.1 Ų99.162%0.61551%0.512SS*.Hα-helixtrans-62-39.8175.2-96.1-14.7000112.5H416 N423 K424H416-D420 WeakPolarHBondContact O-CB 3.45Å; H416-D420 PolarHBondContact O-N 3.39Å; D420-N423 PolarHBondContact O-N 2.94Å; D420-K424 WeakPolarHBondContact O-CB 3.37Å; D420-K424 PolarHBondContact O-N 3.33Å
421L95Very high91.7Very high101 Ų101102.5 Ų102.553%0.52952%0.519SS..Hα-helixtrans-64.4-43174.9-178.460.5000111.5A417 V418 E419 K424 K425A417-L421 WeakPolarHBondContact O-CB 3.33Å; A417-L421 PolarHBondContact O-N 3.47Å; V418-L421 PolarHBondContact O-N 3.15Å; E419-L421 VanDerWaalsContact C-N 3.35Å; E419-L421 PolarHBondContact O-N 2.83Å; L421-K424 PolarHBondContact O-N 2.89Å; L421-K425 WeakPolarHBondContact O-CB 3.42Å; L421-K425 VanDerWaalsContact O-CG 3.22Å; L421-K425 WeakPolarHBondContact O-CG 3.32Å; L421-K425 PolarHBondContact O-N 2.96Å
422V89.8Confident91.8Very high81 Ų81104.9 Ų104.949%0.49152%0.522SS..Hα-helixtrans-64.2-46.2175.6168.80000110.8V418 E419 K424 K425 M426V418-V422 HydrophobicContact CG1-CG2 4.44Å; V418-V422 WeakPolarHBondContact O-CB 3.37Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.41Å; V418-V422 PolarHBondContact O-N 3.5Å; E419-V422 PolarHBondContact O-N 3.15Å; V422-K424 VanDerWaalsContact C-N 3.35Å; V422-K424 PolarHBondContact O-N 2.92Å; V422-K425 PolarHBondContact O-N 2.86Å; V422-M426 WeakPolarHBondContact O-CB 3.17Å; V422-M426 PolarHBondContact O-N 3.09Å
423N90.9Very high91.7Very high100 Ų100103.4 Ų103.454%0.53552%0.522SS..Hα-helixtrans-60.6-42.7176.5-74.9-36.9000111.6E419 D420 M426 G427E419-N423 WeakPolarHBondContact O-CB 3.48Å; E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.42Å; E419-N423 PolarHBondContact O-ND2 3.32Å; E419-N423 VanDerWaalsContact O-ND2 3.09Å; D420-N423 PolarHBondContact O-N 2.94Å; N423-M426 PolarHBondContact O-N 2.83Å; N423-G427 PolarHBondContact O-N 3.28Å
424K94.8Very high91.6Very high146 Ų146104.1 Ų104.164%0.63552%0.518SS*.Hα-helixtrans-64.2-39.8175.4-171.1173.2-174.6173.70112.2D420 L421 V422 Q428D420-K424 WeakPolarHBondContact O-CB 3.37Å; D420-K424 PolarHBondContact O-N 3.33Å; L421-K424 PolarHBondContact O-N 2.89Å; V422-K424 VanDerWaalsContact C-N 3.35Å; V422-K424 PolarHBondContact O-N 2.92Å; K424-Q428 WeakPolarHBondContact O-CG 3.3Å; K424-Q428 PolarHBondContact O-N 3.22Å; K424-Q428 VanDerWaalsContact O-N 3.12Å
425K92.8Very high91.6Very high120 Ų120104.2 Ų104.252%0.52252%0.518SS..Hα-helixtrans-69.5-42.2174.2-70.4-74.9-176.4175.60112L421 V422 Q428 L429L421-K425 WeakPolarHBondContact O-CB 3.42Å; L421-K425 VanDerWaalsContact O-CG 3.22Å; L421-K425 WeakPolarHBondContact O-CG 3.32Å; L421-K425 PolarHBondContact O-N 2.96Å; V422-K425 PolarHBondContact O-N 2.86Å; K425-Q428 WeakPolarHBondContact O-CB 3.44Å; K425-Q428 PolarHBondContact O-N 3.45Å; K425-Q428 VanDerWaalsContact O-N 3.16Å; K425-L429 WeakPolarHBondContact O-CG 3.43Å; K425-L429 PolarHBondContact O-N 2.86Å
426M88.2Confident91.6Very high118 Ų118106.1 Ų106.158%0.58152%0.524SS*.Hα-helixtrans-60.2-46.2175.5-171.264.37500110.8V422 N423 Q428 L429 D430V422-M426 WeakPolarHBondContact O-CB 3.17Å; V422-M426 PolarHBondContact O-N 3.09Å; N423-M426 PolarHBondContact O-N 2.83Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.02Å; M426-L429 PolarHBondContact O-N 2.54Å; M426-L429 VanDerWaalsContact O-N 3.16Å; M426-D430 WeakPolarHBondContact O-CB 3.25Å; M426-D430 PolarHBondContact O-N 3.33Å
427G91.9Very high91.4Very high25 Ų25104.6 Ų104.626%0.25852%0.52SS..Hα-helixtrans-62.6-32174.300000113.9N423 R431N423-G427 PolarHBondContact O-N 3.28Å; G427-R431 WeakPolarHBondContact O-CB 3.43Å; G427-R431 WeakPolarHBondContact O-CD 3.46Å; G427-R431 WeakPolarHBondContact O-CG 3.29Å; G427-R431 PolarHBondContact O-N 2.98Å
428Q89.6Confident91.4Very high89 Ų89110.6 Ų110.642%0.41653%0.529SS..Hα-helixtrans-70.2-40.9171.5-74.9176.1-1.700112.2K424 K425 M426 R432K424-Q428 WeakPolarHBondContact O-CG 3.3Å; K424-Q428 PolarHBondContact O-N 3.22Å; K424-Q428 VanDerWaalsContact O-N 3.12Å; K425-Q428 WeakPolarHBondContact O-CB 3.44Å; K425-Q428 PolarHBondContact O-N 3.45Å; K425-Q428 VanDerWaalsContact O-N 3.16Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.02Å; Q428-R432 VanDerWaalsContact O-CG 3.32Å; Q428-R432 WeakPolarHBondContact O-CG 3.38Å; Q428-R432 PolarHBondContact O-N 3.29Å; Q428-R432 VanDerWaalsContact O-N 3.09Å
429L88.1Confident91.3Very high106 Ų106108.5 Ų108.556%0.55552%0.521SS*.Hα-helixtrans-67.7-44.1177.6-71.5170.2000112K425 M426 R432 S433K425-L429 WeakPolarHBondContact O-CG 3.43Å; K425-L429 PolarHBondContact O-N 2.86Å; M426-L429 PolarHBondContact O-N 2.54Å; M426-L429 VanDerWaalsContact O-N 3.16Å; L429-R432 PolarHBondContact O-N 3.35Å; L429-S433 WeakPolarHBondContact O-CB 3.34Å; L429-S433 PolarHBondContact O-N 2.91Å
430D89.9Confident91.2Very high68 Ų68108.8 Ų108.836%0.36453%0.525SS..Hα-helixtrans-60.2-44.7175.4172.564.5000112M426 R432 S433 K434M426-D430 WeakPolarHBondContact O-CB 3.25Å; M426-D430 PolarHBondContact O-N 3.33Å; D430-R432 PolarHBondContact O-N 2.85Å; D430-S433 PolarHBondContact O-N 3.01Å; D430-K434 WeakPolarHBondContact O-CB 3.39Å; D430-K434 WeakPolarHBondContact O-CG 3.48Å; D430-K434 PolarHBondContact O-N 2.7Å; D430-K434 WeakPolarHBondContact OD1-CD 3.4Å; D430-K434 WeakPolarHBondContact OD1-CE 3.18Å; D430-K434 IonicContact OD1-NZ 3.77Å; D430-K434 PolarHBondContact OD1-NZ 3.14Å; D430-K434 IonicContact OD2-NZ 3.72Å; D430-K434 PolarHBondContact OD2-NZ 3.02Å
431R92.9Very high91.1Very high190 Ų190107.3 Ų107.372%0.71752%0.518SS*.Hα-helixtrans-60.8-42.1174-72.1169.2-166-165.44.2112.2G427 H435G427-R431 WeakPolarHBondContact O-CB 3.43Å; G427-R431 WeakPolarHBondContact O-CD 3.46Å; G427-R431 WeakPolarHBondContact O-CG 3.29Å; G427-R431 PolarHBondContact O-N 2.98Å; R431-H435 WeakPolarHBondContact O-CB 3.26Å; R431-H435 PolarHBondContact O-N 2.86Å
432R90.7Very high91Very high167 Ų167108.6 Ų108.663%0.6352%0.519SS*.Hα-helixtrans-65-44.6176-74.6172.7176.3-167.6-2111.8Q428 L429 D430 H435 Q436Q428-R432 VanDerWaalsContact O-CG 3.32Å; Q428-R432 WeakPolarHBondContact O-CG 3.38Å; Q428-R432 PolarHBondContact O-N 3.29Å; Q428-R432 VanDerWaalsContact O-N 3.09Å; L429-R432 PolarHBondContact O-N 3.35Å; D430-R432 PolarHBondContact O-N 2.85Å; R432-H435 PolarHBondContact O-N 3.23Å; R432-Q436 WeakPolarHBondContact O-CG 3.38Å; R432-Q436 PolarHBondContact O-N 3.1Å
433S89.7Confident91.1Very high53 Ų53109.5 Ų109.537%0.37152%0.519SS..Hα-helixtrans-60.1-50.7176.2-178.60000111.5L429 D430 H435 Q436 I437L429-S433 WeakPolarHBondContact O-CB 3.34Å; L429-S433 PolarHBondContact O-N 2.91Å; D430-S433 PolarHBondContact O-N 3.01Å; S433-H435 VanDerWaalsContact C-N 3.28Å; S433-H435 PolarHBondContact O-N 2.91Å; S433-Q436 PolarHBondContact O-N 3.41Å; S433-Q436 VanDerWaalsContact O-N 3.12Å; S433-I437 WeakPolarHBondContact O-CG1 3.35Å; S433-I437 PolarHBondContact O-N 3.37Å
434K91.9Very high91Very high108 Ų108108.3 Ų108.347%0.4752%0.516SS..Hα-helixtrans-59.7-34.8175.7-77.2165.6173154.50113.1D430 R438D430-K434 WeakPolarHBondContact O-CB 3.39Å; D430-K434 WeakPolarHBondContact O-CG 3.48Å; D430-K434 PolarHBondContact O-N 2.7Å; D430-K434 WeakPolarHBondContact OD1-CD 3.4Å; D430-K434 WeakPolarHBondContact OD1-CE 3.18Å; D430-K434 IonicContact OD1-NZ 3.77Å; D430-K434 PolarHBondContact OD1-NZ 3.14Å; D430-K434 IonicContact OD2-NZ 3.72Å; D430-K434 PolarHBondContact OD2-NZ 3.02Å; K434-R438 WeakPolarHBondContact O-CB 3.33Å; K434-R438 VanDerWaalsContact O-CG 3.26Å; K434-R438 WeakPolarHBondContact O-CG 3.32Å; K434-R438 PolarHBondContact O-N 3.03Å; K434-R438 VanDerWaalsContact O-N 3.12Å
435H93.1Very high90.9Very high136 Ų136106.1 Ų106.163%0.6351%0.514SS*.Hα-helixtrans-70.7-42.4173.9-173.181.2000112.3R431 R432 S433 R438 A439R431-H435 WeakPolarHBondContact O-CB 3.26Å; R431-H435 PolarHBondContact O-N 2.86Å; R432-H435 PolarHBondContact O-N 3.23Å; S433-H435 VanDerWaalsContact C-N 3.28Å; S433-H435 PolarHBondContact O-N 2.91Å; H435-R438 PolarHBondContact O-N 3.42Å; H435-A439 WeakPolarHBondContact O-CB 3.43Å; H435-A439 PolarHBondContact O-N 3.43Å
436Q89.8Confident91Very high131 Ų131104.6 Ų104.661%0.61251%0.509SS*.Hα-helixtrans-62.7-42175.3-74.4173.4-20.300112.3R432 S433 A439 L440R432-Q436 WeakPolarHBondContact O-CG 3.38Å; R432-Q436 PolarHBondContact O-N 3.1Å; S433-Q436 PolarHBondContact O-N 3.41Å; S433-Q436 VanDerWaalsContact O-N 3.12Å; Q436-A439 PolarHBondContact O-N 3Å; Q436-L440 WeakPolarHBondContact O-CG 3.5Å; Q436-L440 PolarHBondContact O-N 3.4Å
437I88.8Confident91.2Very high85 Ų85106.6 Ų106.644%0.43651%0.51SS..Hα-helixtrans-60.4-53.3174.7-67.6163.6000109.9S433 A439 L440 D441S433-I437 WeakPolarHBondContact O-CG1 3.35Å; S433-I437 PolarHBondContact O-N 3.37Å; I437-A439 VanDerWaalsContact C-N 3.26Å; I437-A439 PolarHBondContact O-N 3.28Å; I437-L440 WeakPolarHBondContact O-CA 3.27Å; I437-L440 WeakPolarHBondContact O-CB 3.43Å; I437-L440 PolarHBondContact O-N 3.4Å; I437-D441 WeakPolarHBondContact CG2-OD2 3.43Å; I437-D441 VanDerWaalsContact O-CG 3.23Å; I437-D441 PolarHBondContact O-N 3.02Å
438R93.3Very high91.1Very high187 Ų187110 Ų11071%0.70653%0.526SS*.Hα-helixtrans-58.3-34.4177.1-73.1173178.7-166.6-1.4113.7K434 H435 K442K434-R438 WeakPolarHBondContact O-CB 3.33Å; K434-R438 VanDerWaalsContact O-CG 3.26Å; K434-R438 WeakPolarHBondContact O-CG 3.32Å; K434-R438 PolarHBondContact O-N 3.03Å; K434-R438 VanDerWaalsContact O-N 3.12Å; H435-R438 PolarHBondContact O-N 3.42Å; R438-K442 WeakPolarHBondContact O-CB 3.49Å; R438-K442 PolarHBondContact O-N 3.18Å
439A92.1Very high91.1Very high45 Ų45109 Ų10937%0.37253%0.528SS..Hα-helixtrans-68.9-40.9175.300000111.8H435 Q436 I437 M443H435-A439 WeakPolarHBondContact O-CB 3.43Å; H435-A439 PolarHBondContact O-N 3.43Å; Q436-A439 PolarHBondContact O-N 3Å; I437-A439 VanDerWaalsContact C-N 3.26Å; I437-A439 PolarHBondContact O-N 3.28Å; A439-M443 WeakPolarHBondContact O-CG 3.3Å; A439-M443 PolarHBondContact O-N 2.95Å
440L87.6Confident91.4Very high113 Ų113106 Ų10659%0.59252%0.519SS*.Hα-helixtrans-64.9-43.8173.2-70.3169.3000111.6Q436 I437 K442 M443 T444Q436-L440 WeakPolarHBondContact O-CG 3.5Å; Q436-L440 PolarHBondContact O-N 3.4Å; I437-L440 WeakPolarHBondContact O-CA 3.27Å; I437-L440 WeakPolarHBondContact O-CB 3.43Å; I437-L440 PolarHBondContact O-N 3.4Å; L440-K442 VanDerWaalsContact C-N 3.34Å; L440-K442 PolarHBondContact O-N 3.01Å; L440-M443 CarbonylContact O-C 3.57Å; L440-M443 PolarHBondContact O-N 3.26Å; L440-T444 WeakPolarHBondContact O-CG2 3.41Å; L440-T444 PolarHBondContact O-N 3.46Å; L440-T444 PolarHBondContact O-OG1 2.94Å
441D91.2Very high91.3Very high84 Ų84109.2 Ų109.245%0.44953%0.532SS..Hα-helixtrans-62.2-40.2177.4-61.8-30000111.7I437 T444 V445I437-D441 WeakPolarHBondContact CG2-OD2 3.43Å; I437-D441 VanDerWaalsContact O-CG 3.23Å; I437-D441 PolarHBondContact O-N 3.02Å; D441-T444 WeakPolarHBondContact CA-OG1 3.2Å; D441-T444 PolarHBondContact O-N 3.28Å; D441-T444 PolarHBondContact O-OG1 3.03Å; D441-V445 WeakPolarHBondContact O-CG2 3.43Å; D441-V445 PolarHBondContact O-N 3.12Å
442K94.6Very high91.2Very high129 Ų129106.9 Ų106.956%0.56153%0.527SS*.Hα-helixtrans-62.2-46.1172.7-171.7171-173.5-73.90111.1R438 L440 T444 V445 E446R438-K442 WeakPolarHBondContact O-CB 3.49Å; R438-K442 PolarHBondContact O-N 3.18Å; L440-K442 VanDerWaalsContact C-N 3.34Å; L440-K442 PolarHBondContact O-N 3.01Å; K442-T444 VanDerWaalsContact C-N 3.34Å; K442-T444 PolarHBondContact O-N 3.17Å; K442-V445 PolarHBondContact O-N 3.07Å; K442-E446 IonicContact NZ-OE1 3.62Å; K442-E446 PolarHBondContact NZ-OE1 2.86Å; K442-E446 WeakPolarHBondContact O-CB 3.42Å; K442-E446 VanDerWaalsContact O-CG 3.27Å; K442-E446 WeakPolarHBondContact O-CG 3.35Å; K442-E446 PolarHBondContact O-N 3.12Å
443M90.9Very high91.3Very high99 Ų99101.5 Ų101.549%0.48852%0.515SS..Hα-helixtrans-68.2-26.3178.2-72.6-163.382.800114.3A439 L440 R447A439-M443 WeakPolarHBondContact O-CG 3.3Å; A439-M443 PolarHBondContact O-N 2.95Å; L440-M443 CarbonylContact O-C 3.57Å; L440-M443 PolarHBondContact O-N 3.26Å; M443-R447 WeakPolarHBondContact O-CD 3.39Å; M443-R447 VanDerWaalsContact O-CG 3.24Å; M443-R447 WeakPolarHBondContact O-CG 3.49Å; M443-R447 PolarHBondContact O-N 3.14Å
444T89.5Confident91.4Very high76 Ų76103.3 Ų103.347%0.46652%0.517SS..Hα-helixtrans-77.5-42.8173.352.50000111L440 D441 K442 E446 R447 V448L440-T444 WeakPolarHBondContact O-CG2 3.41Å; L440-T444 PolarHBondContact O-N 3.46Å; L440-T444 PolarHBondContact O-OG1 2.94Å; D441-T444 WeakPolarHBondContact CA-OG1 3.2Å; D441-T444 PolarHBondContact O-N 3.28Å; D441-T444 PolarHBondContact O-OG1 3.03Å; K442-T444 VanDerWaalsContact C-N 3.34Å; K442-T444 PolarHBondContact O-N 3.17Å; T444-E446 PolarHBondContact O-N 3.17Å; T444-R447 PolarHBondContact O-N 3.48Å; T444-V448 WeakPolarHBondContact O-CG2 3.44Å; T444-V448 PolarHBondContact O-N 3.34Å
445V93.1Very high91.3Very high99 Ų99101.3 Ų101.360%0.652%0.517SS*.Hα-helixtrans-59.7-45.1173.81710000111.4D441 K442 R447 V448 S449D441-V445 WeakPolarHBondContact O-CG2 3.43Å; D441-V445 PolarHBondContact O-N 3.12Å; K442-V445 PolarHBondContact O-N 3.07Å; V445-R447 VanDerWaalsContact C-N 3.28Å; V445-R447 PolarHBondContact O-N 2.87Å; V445-V448 PolarHBondContact O-N 3.26Å; V445-S449 PolarHBondContact O-N 3.44Å; V445-S449 PolarHBondContact O-OG 3.3Å
446E94Very high91.2Very high88 Ų8898.4 Ų98.441%0.41151%0.505SS..Hα-helixtrans-63.1-30.5176.8-75.1170.1169.400113.5K442 T444 S449 A450K442-E446 IonicContact NZ-OE1 3.62Å; K442-E446 PolarHBondContact NZ-OE1 2.86Å; K442-E446 WeakPolarHBondContact O-CB 3.42Å; K442-E446 VanDerWaalsContact O-CG 3.27Å; K442-E446 WeakPolarHBondContact O-CG 3.35Å; K442-E446 PolarHBondContact O-N 3.12Å; T444-E446 PolarHBondContact O-N 3.17Å; E446-S449 PolarHBondContact O-OG 3.28Å; E446-S449 VanDerWaalsContact O-OG 3.11Å; E446-A450 WeakPolarHBondContact O-CB 3.06Å; E446-A450 PolarHBondContact O-N 3.11Å
447R92.2Very high91.4Very high160 Ų16098 Ų9860%0.60450%0.503SS*.Hα-helixtrans-75.8-42.4173.5-75.5172.4-176.7-1662.3112.2M443 T444 V445 S449 A450 E451M443-R447 WeakPolarHBondContact O-CD 3.39Å; M443-R447 VanDerWaalsContact O-CG 3.24Å; M443-R447 WeakPolarHBondContact O-CG 3.49Å; M443-R447 PolarHBondContact O-N 3.14Å; T444-R447 PolarHBondContact O-N 3.48Å; V445-R447 VanDerWaalsContact C-N 3.28Å; V445-R447 PolarHBondContact O-N 2.87Å; R447-S449 VanDerWaalsContact C-N 3.33Å; R447-S449 PolarHBondContact O-N 3.33Å; R447-A450 PolarHBondContact O-N 3.12Å; R447-E451 WeakPolarHBondContact O-CB 3.42Å; R447-E451 WeakPolarHBondContact O-CG 3.42Å; R447-E451 PolarHBondContact O-N 3.46Å
448V89.4Confident91.7Very high97 Ų97100.6 Ų100.659%0.58851%0.508SS*.Hα-helixtrans-66.3-36.5178.71720000111.1T444 V445 K452T444-V448 WeakPolarHBondContact O-CG2 3.44Å; T444-V448 PolarHBondContact O-N 3.34Å; V445-V448 PolarHBondContact O-N 3.26Å; V448-K452 VanDerWaalsContact O-CB 3.27Å; V448-K452 WeakPolarHBondContact O-CB 3.5Å; V448-K452 PolarHBondContact O-N 2.94Å
449S90.7Very high91.5Very high68 Ų6897.4 Ų97.448%0.47650%0.502SS..Hα-helixtrans-68.3-41.1173.262.30000112.5V445 E446 R447 K452 S453V445-S449 PolarHBondContact O-N 3.44Å; V445-S449 PolarHBondContact O-OG 3.3Å; E446-S449 PolarHBondContact O-OG 3.28Å; E446-S449 VanDerWaalsContact O-OG 3.11Å; R447-S449 VanDerWaalsContact C-N 3.33Å; R447-S449 PolarHBondContact O-N 3.33Å; S449-K452 PolarHBondContact O-N 3.15Å; S449-S453 PolarHBondContact O-N 3.06Å; S449-S453 PolarHBondContact O-OG 2.82Å
450A93Very high91.4Very high44 Ų44100.6 Ų100.636%0.36451%0.509SS..Hα-helixtrans-64.3-46.9174.800000112.6E446 R447 K452 S453 E454E446-A450 WeakPolarHBondContact O-CB 3.06Å; E446-A450 PolarHBondContact O-N 3.11Å; R447-A450 PolarHBondContact O-N 3.12Å; A450-K452 VanDerWaalsContact C-N 3.27Å; A450-K452 PolarHBondContact O-N 2.97Å; A450-S453 PolarHBondContact O-N 2.99Å; A450-S453 VanDerWaalsContact O-N 3.17Å; A450-S453 PolarHBondContact O-OG 2.95Å; A450-E454 PolarHBondContact O-N 3.09Å
451E89.4Confident91.8Very high134 Ų134100.8 Ų100.863%0.62651%0.507SS*.Hα-helixtrans-61.8-36.3175.9-73.4178.5-174.700111.3R447 C455R447-E451 WeakPolarHBondContact O-CB 3.42Å; R447-E451 WeakPolarHBondContact O-CG 3.42Å; R447-E451 PolarHBondContact O-N 3.46Å; E451-C455 WeakPolarHBondContact O-CB 3.12Å; E451-C455 PolarHBondContact O-N 2.8Å; E451-C455 VanDerWaalsContact O-N 3.09Å
452K90.5Very high91.6Very high142 Ų142105.3 Ų105.362%0.61752%0.518SS*.Hα-helixtrans-65.4-43.9172.3-175.8177.2178.6-179.60112.2V448 S449 A450 C455 L456V448-K452 VanDerWaalsContact O-CB 3.27Å; V448-K452 WeakPolarHBondContact O-CB 3.5Å; V448-K452 PolarHBondContact O-N 2.94Å; S449-K452 PolarHBondContact O-N 3.15Å; A450-K452 VanDerWaalsContact C-N 3.27Å; A450-K452 PolarHBondContact O-N 2.97Å; K452-C455 WeakPolarHBondContact O-CB 3.4Å; K452-C455 PolarHBondContact O-N 3.22Å; K452-L456 HydrophobicContact CG-CD1 4.34Å; K452-L456 WeakPolarHBondContact O-CG 3.41Å; K452-L456 PolarHBondContact O-N 3.07Å
453S91.9Very high91.5Very high54 Ų54101.1 Ų101.138%0.37851%0.507SS..Hα-helixtrans-67.9-40179.263.20000112.3S449 A450 C455 L456 Q457S449-S453 PolarHBondContact O-N 3.06Å; S449-S453 PolarHBondContact O-OG 2.82Å; A450-S453 PolarHBondContact O-N 2.99Å; A450-S453 VanDerWaalsContact O-N 3.17Å; A450-S453 PolarHBondContact O-OG 2.95Å; S453-C455 VanDerWaalsContact C-N 3.25Å; S453-C455 PolarHBondContact O-N 3.02Å; S453-L456 PolarHBondContact O-N 2.99Å; S453-Q457 WeakPolarHBondContact O-CB 3.33Å; S453-Q457 WeakPolarHBondContact O-CG 3.43Å; S453-Q457 PolarHBondContact O-N 2.89Å
454E93.4Very high91.7Very high90 Ų90101.3 Ų101.342%0.42151%0.51SS..Hα-helixtrans-62.8-33.3172.4-68.4-170.2-18000112.2A450 R458A450-E454 PolarHBondContact O-N 3.09Å; E454-R458 VanDerWaalsContact CB-NH1 3.33Å; E454-R458 WeakPolarHBondContact O-CD 3.49Å; E454-R458 WeakPolarHBondContact O-CG 3.23Å; E454-R458 PolarHBondContact O-N 2.78Å; E454-R458 VanDerWaalsContact O-N 3.14Å; E454-R458 IonicContact OE2-CZ 2.83Å; E454-R458 VanDerWaalsContact OE2-CZ 3.22Å; E454-R458 IonicContact OE2-NH1 2.69Å; E454-R458 PolarHBondContact OE2-NH1 3.21Å; E454-R458 IonicContact OE2-NH2 2.9Å; E454-R458 PolarHBondContact OE2-NH2 2.94Å
455C88.4Confident91.8Very high67 Ų67101 Ų10145%0.45350%0.503SS..Hα-helixtrans-67.5-46.7177.5-163.70000111.3E451 K452 S453 R458 M459E451-C455 WeakPolarHBondContact O-CB 3.12Å; E451-C455 PolarHBondContact O-N 2.8Å; E451-C455 VanDerWaalsContact O-N 3.09Å; K452-C455 WeakPolarHBondContact O-CB 3.4Å; K452-C455 PolarHBondContact O-N 3.22Å; S453-C455 VanDerWaalsContact C-N 3.25Å; S453-C455 PolarHBondContact O-N 3.02Å; C455-R458 PolarHBondContact O-N 3.05Å; C455-M459 WeakPolarHBondContact O-CG 3.39Å; C455-M459 PolarHBondContact O-N 3.01Å
456L92.3Very high91.8Very high75 Ų75102.8 Ų102.839%0.39351%0.505SS..Hα-helixtrans-61.6-47.7175.9-69.1170.6000111.6K452 S453 R458 M459 E460K452-L456 HydrophobicContact CG-CD1 4.34Å; K452-L456 WeakPolarHBondContact O-CG 3.41Å; K452-L456 PolarHBondContact O-N 3.07Å; S453-L456 PolarHBondContact O-N 2.99Å; L456-R458 PolarHBondContact O-N 2.88Å; L456-M459 WeakPolarHBondContact O-CB 3.3Å; L456-M459 PolarHBondContact O-N 3.35Å; L456-E460 WeakPolarHBondContact O-CB 3.29Å; L456-E460 WeakPolarHBondContact O-CG 3.34Å; L456-E460 PolarHBondContact O-N 3.14Å
457Q93.9Very high91.7Very high121 Ų121106.8 Ų106.857%0.56552%0.516SS*.Hα-helixtrans-58.6-34.8176.7-74.3174.5-1300113S453 H461S453-Q457 WeakPolarHBondContact O-CB 3.33Å; S453-Q457 WeakPolarHBondContact O-CG 3.43Å; S453-Q457 PolarHBondContact O-N 2.89Å; Q457-H461 WeakPolarHBondContact O-CB 3.44Å; Q457-H461 PolarHBondContact O-N 3.29Å
458R93.8Very high91.8Very high141 Ų141103.4 Ų103.453%0.53251%0.509SS..Hα-helixtrans-67-46.2173-73.6166-175125.211.1111.3E454 C455 L456 H461 W462E454-R458 VanDerWaalsContact CB-NH1 3.33Å; E454-R458 WeakPolarHBondContact O-CD 3.49Å; E454-R458 WeakPolarHBondContact O-CG 3.23Å; E454-R458 PolarHBondContact O-N 2.78Å; E454-R458 VanDerWaalsContact O-N 3.14Å; E454-R458 IonicContact OE2-CZ 2.83Å; E454-R458 VanDerWaalsContact OE2-CZ 3.22Å; E454-R458 IonicContact OE2-NH1 2.69Å; E454-R458 PolarHBondContact OE2-NH1 3.21Å; E454-R458 IonicContact OE2-NH2 2.9Å; E454-R458 PolarHBondContact OE2-NH2 2.94Å; C455-R458 PolarHBondContact O-N 3.05Å; L456-R458 PolarHBondContact O-N 2.88Å; R458-H461 PolarHBondContact O-N 3.37Å; R458-W462 PolarHBondContact O-N 3.12Å
459M88.4Confident91.9Very high119 Ų119101.9 Ų101.959%0.58650%0.496SS*.Hα-helixtrans-60.8-44.1176.7-70.6166.950.200111.9C455 L456 W462 A463C455-M459 WeakPolarHBondContact O-CG 3.39Å; C455-M459 PolarHBondContact O-N 3.01Å; L456-M459 WeakPolarHBondContact O-CB 3.3Å; L456-M459 PolarHBondContact O-N 3.35Å; M459-W462 PolarHBondContact O-N 2.88Å; M459-A463 WeakPolarHBondContact O-CB 3.2Å; M459-A463 PolarHBondContact O-N 2.84Å
460E92Very high91.8Very high112 Ų112100.9 Ų100.952%0.52349%0.492SS..Hα-helixtrans-62.4-44.6176.7-71164.3-179.600111.6L456 A463 L464L456-E460 WeakPolarHBondContact O-CB 3.29Å; L456-E460 WeakPolarHBondContact O-CG 3.34Å; L456-E460 PolarHBondContact O-N 3.14Å; E460-A463 PolarHBondContact O-N 3.16Å; E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 VanDerWaalsContact O-CG 3.31Å; E460-L464 WeakPolarHBondContact O-CG 3.47Å; E460-L464 PolarHBondContact O-N 2.93Å
461H94.1Very high91.8Very high117 Ų117103.9 Ų103.954%0.54250%0.498SS..Hα-helixtrans-61-44.3174.1-177.5-63.7000112.2Q457 R458 L464 Q465Q457-H461 WeakPolarHBondContact O-CB 3.44Å; Q457-H461 PolarHBondContact O-N 3.29Å; R458-H461 PolarHBondContact O-N 3.37Å; H461-L464 PolarHBondContact O-N 3.16Å; H461-Q465 WeakPolarHBondContact O-CB 3.43Å; H461-Q465 PolarHBondContact O-N 2.78Å
462W87.8Confident92Very high180 Ų180104.1 Ų104.168%0.68250%0.497SS*.Hα-helixtrans-62.1-45176.4-82.6110.9000111.7R458 M459 L464 Q465 E466R458-W462 PolarHBondContact O-N 3.12Å; M459-W462 PolarHBondContact O-N 2.88Å; W462-L464 PolarHBondContact O-N 2.78Å; W462-Q465 PolarHBondContact O-N 2.86Å; W462-E466 WeakPolarHBondContact O-CB 3.43Å; W462-E466 PolarHBondContact O-N 3.42Å
463A91.9Very high92.1Very high40 Ų40103.6 Ų103.633%0.33149%0.492SS..Hα-helixtrans-66-36.4178.200000113M459 E460 R467M459-A463 WeakPolarHBondContact O-CB 3.2Å; M459-A463 PolarHBondContact O-N 2.84Å; E460-A463 PolarHBondContact O-N 3.16Å; A463-R467 VanDerWaalsContact O-CG 3.29Å; A463-R467 WeakPolarHBondContact O-CG 3.36Å; A463-R467 PolarHBondContact O-N 3.38Å; A463-R467 VanDerWaalsContact O-N 3.13Å
464L95.6Very high91.9Very high104 Ų104108 Ų10855%0.54551%0.506SS..Hα-helixtrans-68.2-42.2173.1-74170.2000111.8E460 H461 W462 R467 L468E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 VanDerWaalsContact O-CG 3.31Å; E460-L464 WeakPolarHBondContact O-CG 3.47Å; E460-L464 PolarHBondContact O-N 2.93Å; H461-L464 PolarHBondContact O-N 3.16Å; W462-L464 PolarHBondContact O-N 2.78Å; L464-R467 PolarHBondContact O-N 3.19Å; L464-L468 WeakPolarHBondContact O-CG 3.34Å; L464-L468 PolarHBondContact O-N 2.69Å
465Q91.7Very high91.8Very high69 Ų69107.8 Ų107.832%0.32251%0.511SS..Hα-helixtrans-62.9-45175.2-179.4177.4-2400111.3H461 W462 R467 L468 E469H461-Q465 WeakPolarHBondContact O-CB 3.43Å; H461-Q465 PolarHBondContact O-N 2.78Å; W462-Q465 PolarHBondContact O-N 2.86Å; Q465-R467 VanDerWaalsContact C-N 3.34Å; Q465-R467 PolarHBondContact O-N 3.26Å; Q465-L468 PolarHBondContact O-N 3Å; Q465-E469 HydrophobicContact CG-CG 4.37Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.5Å; Q465-E469 PolarHBondContact NE2-OE1 3.1Å; Q465-E469 WeakPolarHBondContact O-CB 3.34Å; Q465-E469 WeakPolarHBondContact O-CG 3.14Å; Q465-E469 PolarHBondContact O-N 3.2Å
466E93.1Very high92Very high137 Ų137107 Ų10764%0.6451%0.506SS*.Hα-helixtrans-60.4-41.8178.6-176.7170.5-143.600112W462 E469 A470W462-E466 WeakPolarHBondContact O-CB 3.43Å; W462-E466 PolarHBondContact O-N 3.42Å; E466-E469 PolarHBondContact O-N 3.45Å; E466-A470 WeakPolarHBondContact O-CB 3.47Å; E466-A470 PolarHBondContact O-N 2.93Å
467R92.9Very high92Very high171 Ų171108.4 Ų108.465%0.64551%0.514SS*.Hα-helixtrans-61.5-49.8172.6-72.9172.7-176.3-164.70.9112.3A463 L464 Q465 E469 A470 E471A463-R467 VanDerWaalsContact O-CG 3.29Å; A463-R467 WeakPolarHBondContact O-CG 3.36Å; A463-R467 PolarHBondContact O-N 3.38Å; A463-R467 VanDerWaalsContact O-N 3.13Å; L464-R467 PolarHBondContact O-N 3.19Å; Q465-R467 VanDerWaalsContact C-N 3.34Å; Q465-R467 PolarHBondContact O-N 3.26Å; R467-E469 VanDerWaalsContact C-N 3.25Å; R467-E469 PolarHBondContact O-N 2.97Å; R467-A470 WeakPolarHBondContact O-CB 3.48Å; R467-A470 PolarHBondContact O-N 3.28Å; R467-E471 WeakPolarHBondContact O-CG 3.24Å; R467-E471 PolarHBondContact O-N 3.4Å
468L94.6Very high91.9Very high90 Ų90104.8 Ų104.847%0.47150%0.504SS..Hα-helixtrans-62.7-31.3177.9-71.6168.8000112.6L464 Q465 K472L464-L468 WeakPolarHBondContact O-CG 3.34Å; L464-L468 PolarHBondContact O-N 2.69Å; Q465-L468 PolarHBondContact O-N 3Å; L468-K472 WeakPolarHBondContact O-CB 3.38Å; L468-K472 WeakPolarHBondContact O-CD 3.44Å; L468-K472 WeakPolarHBondContact O-CG 3.4Å; L468-K472 PolarHBondContact O-N 2.99Å; L468-K472 VanDerWaalsContact O-N 3.14Å
469E91.3Very high91.8Very high64 Ų64102.3 Ų102.330%0.29951%0.505SS..Hα-helixtrans-75.6-34.8172-70.6-178.7-160.300112.5Q465 E466 R467 K472 R473Q465-E469 HydrophobicContact CG-CG 4.37Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.5Å; Q465-E469 PolarHBondContact NE2-OE1 3.1Å; Q465-E469 WeakPolarHBondContact O-CB 3.34Å; Q465-E469 WeakPolarHBondContact O-CG 3.14Å; Q465-E469 PolarHBondContact O-N 3.2Å; E466-E469 PolarHBondContact O-N 3.45Å; R467-E469 VanDerWaalsContact C-N 3.25Å; R467-E469 PolarHBondContact O-N 2.97Å; E469-K472 PolarHBondContact O-N 2.99Å; E469-R473 VanDerWaalsContact CB-NH1 3.29Å; E469-R473 VanDerWaalsContact O-CG 3.23Å; E469-R473 WeakPolarHBondContact O-CG 3.46Å; E469-R473 PolarHBondContact O-N 3.13Å; E469-R473 IonicContact OE2-CZ 3.95Å; E469-R473 IonicContact OE2-NH1 3.97Å; E469-R473 IonicContact OE2-NH2 2.93Å; E469-R473 PolarHBondContact OE2-NH2 3.03Å
470A88.4Confident92Very high48 Ų48102 Ų10240%0.39750%0.502SS..Hα-helixtrans-65.7-43.217300000111.9E466 R467 K472 R473 Q474E466-A470 WeakPolarHBondContact O-CB 3.47Å; E466-A470 PolarHBondContact O-N 2.93Å; R467-A470 WeakPolarHBondContact O-CB 3.48Å; R467-A470 PolarHBondContact O-N 3.28Å; A470-K472 VanDerWaalsContact C-N 3.33Å; A470-K472 PolarHBondContact O-N 2.9Å; A470-R473 PolarHBondContact O-N 3.14Å; A470-Q474 WeakPolarHBondContact O-CB 3.4Å; A470-Q474 PolarHBondContact O-N 2.99Å
471E92.7Very high92.1Very high107 Ų107102 Ų10250%0.551%0.505SS..Hα-helixtrans-60.9-40.7172.5-71.9167.5-167.600111.5R467 Q474 T475R467-E471 WeakPolarHBondContact O-CG 3.24Å; R467-E471 PolarHBondContact O-N 3.4Å; E471-Q474 PolarHBondContact O-N 3.37Å; E471-T475 WeakPolarHBondContact O-CB 3.46Å; E471-T475 WeakPolarHBondContact O-CG2 3.19Å; E471-T475 PolarHBondContact O-N 3.3Å; E471-T475 PolarHBondContact O-OG1 3.5Å
472K93.6Very high91.9Very high139 Ų139103.3 Ų103.360%0.60451%0.509SS*.Hα-helixtrans-64.1-39.1173.2-76.1167.1-173172.80112.9L468 E469 A470 T475 S476L468-K472 WeakPolarHBondContact O-CB 3.38Å; L468-K472 WeakPolarHBondContact O-CD 3.44Å; L468-K472 WeakPolarHBondContact O-CG 3.4Å; L468-K472 PolarHBondContact O-N 2.99Å; L468-K472 VanDerWaalsContact O-N 3.14Å; E469-K472 PolarHBondContact O-N 2.99Å; A470-K472 VanDerWaalsContact C-N 3.33Å; A470-K472 PolarHBondContact O-N 2.9Å; K472-T475 WeakPolarHBondContact CA-OG1 3.39Å; K472-T475 PolarHBondContact O-OG1 3.37Å; K472-T475 VanDerWaalsContact O-OG1 3.12Å; K472-S476 WeakPolarHBondContact O-CB 3.47Å; K472-S476 PolarHBondContact O-N 2.98Å; K472-S476 PolarHBondContact O-OG 2.9Å
473R91.6Very high92.1Very high131 Ų13198.1 Ų98.149%0.49450%0.5SS..Hα-helixtrans-67.3-41.7173.9-69.8163.1-171.4122.310.4111.5E469 A470 S476 L477E469-R473 VanDerWaalsContact CB-NH1 3.29Å; E469-R473 VanDerWaalsContact O-CG 3.23Å; E469-R473 WeakPolarHBondContact O-CG 3.46Å; E469-R473 PolarHBondContact O-N 3.13Å; E469-R473 IonicContact OE2-CZ 3.95Å; E469-R473 IonicContact OE2-NH1 3.97Å; E469-R473 IonicContact OE2-NH2 2.93Å; E469-R473 PolarHBondContact OE2-NH2 3.03Å; A470-R473 PolarHBondContact O-N 3.14Å; R473-S476 PolarHBondContact O-N 3.33Å; R473-S476 PolarHBondContact O-OG 3.23Å; R473-L477 WeakPolarHBondContact O-CB 3.33Å; R473-L477 WeakPolarHBondContact O-CD1 3.22Å; R473-L477 WeakPolarHBondContact O-CG 3.22Å; R473-L477 PolarHBondContact O-N 2.95Å
474Q89.4Confident92Very high145 Ų145103.9 Ų103.968%0.67851%0.514SS*.Hα-helixtrans-66-41.9177.6-173.1178.65.400111.6A470 E471 A478A470-Q474 WeakPolarHBondContact O-CB 3.4Å; A470-Q474 PolarHBondContact O-N 2.99Å; E471-Q474 PolarHBondContact O-N 3.37Å; Q474-A478 WeakPolarHBondContact O-CB 3.33Å; Q474-A478 PolarHBondContact O-N 3.07Å
475T91.3Very high91.7Very high87 Ų87101.5 Ų101.553%0.53451%0.505SS..Hα-helixtrans-70.2-38.117646.80000112.4E471 K472 A478 T479E471-T475 WeakPolarHBondContact O-CB 3.46Å; E471-T475 WeakPolarHBondContact O-CG2 3.19Å; E471-T475 PolarHBondContact O-N 3.3Å; E471-T475 PolarHBondContact O-OG1 3.5Å; K472-T475 WeakPolarHBondContact CA-OG1 3.39Å; K472-T475 PolarHBondContact O-OG1 3.37Å; K472-T475 VanDerWaalsContact O-OG1 3.12Å; T475-A478 PolarHBondContact O-N 3.32Å; T475-T479 PolarHBondContact O-N 2.93Å; T475-T479 PolarHBondContact O-OG1 3.35Å
476S91.8Very high91.4Very high49 Ų49103.2 Ų103.234%0.34352%0.516SS..Hα-helixtrans-63.2-47.3173.872.10000111.5K472 R473 A478 T479 E480K472-S476 WeakPolarHBondContact O-CB 3.47Å; K472-S476 PolarHBondContact O-N 2.98Å; K472-S476 PolarHBondContact O-OG 2.9Å; R473-S476 PolarHBondContact O-N 3.33Å; R473-S476 PolarHBondContact O-OG 3.23Å; S476-A478 VanDerWaalsContact C-N 3.29Å; S476-A478 PolarHBondContact O-N 3.37Å; S476-T479 WeakPolarHBondContact CA-OG1 3.1Å; S476-T479 PolarHBondContact O-N 2.98Å; S476-T479 PolarHBondContact O-OG1 3.17Å; S476-E480 WeakPolarHBondContact O-CG 3.36Å; S476-E480 PolarHBondContact O-N 2.66Å
477L92.9Very high91Very high106 Ų10699.4 Ų99.456%0.55550%0.504SS*.Hα-helixtrans-59.4-38.1174.1-71.7169.1000112.2R473 E480 L481R473-L477 WeakPolarHBondContact O-CB 3.33Å; R473-L477 WeakPolarHBondContact O-CD1 3.22Å; R473-L477 WeakPolarHBondContact O-CG 3.22Å; R473-L477 PolarHBondContact O-N 2.95Å; L477-E480 PolarHBondContact O-N 2.95Å; L477-L481 VanDerWaalsContact O-CB 3.28Å; L477-L481 WeakPolarHBondContact O-CB 3.43Å; L477-L481 PolarHBondContact O-N 2.96Å
478A91.9Very high90.5Very high44 Ų4496 Ų9636%0.36449%0.494SS..Hα-helixtrans-67.2-35174.300000112.9Q474 T475 S476 K482Q474-A478 WeakPolarHBondContact O-CB 3.33Å; Q474-A478 PolarHBondContact O-N 3.07Å; T475-A478 PolarHBondContact O-N 3.32Å; S476-A478 VanDerWaalsContact C-N 3.29Å; S476-A478 PolarHBondContact O-N 3.37Å; A478-K482 WeakPolarHBondContact O-CB 3.42Å; A478-K482 VanDerWaalsContact O-CG 3.25Å; A478-K482 WeakPolarHBondContact O-CG 3.14Å; A478-K482 PolarHBondContact O-N 3.45Å
479T91.8Very high89.8Confident90 Ų9096.5 Ų96.555%0.55250%0.497SS*.Hα-helixtrans-72.9-38.1173.151.70000112.8T475 S476 K482 S483T475-T479 PolarHBondContact O-N 2.93Å; T475-T479 PolarHBondContact O-OG1 3.35Å; S476-T479 WeakPolarHBondContact CA-OG1 3.1Å; S476-T479 PolarHBondContact O-N 2.98Å; S476-T479 PolarHBondContact O-OG1 3.17Å; T479-K482 PolarHBondContact O-N 3.04Å; T479-S483 WeakPolarHBondContact O-CB 3.28Å; T479-S483 PolarHBondContact O-N 3.23Å; T479-S483 PolarHBondContact O-OG 2.94Å
480E92.9Very high89.1Confident113 Ų11398.9 Ų98.953%0.52851%0.508SS..Hα-helixtrans-62.4-48.7173.8-74.4172.6-172.300110.4S476 L477 K482 S483 W484S476-E480 WeakPolarHBondContact O-CG 3.36Å; S476-E480 PolarHBondContact O-N 2.66Å; L477-E480 PolarHBondContact O-N 2.95Å; E480-K482 PolarHBondContact O-N 3.47Å; E480-S483 PolarHBondContact O-N 3.38Å; E480-S483 PolarHBondContact O-OG 2.95Å; E480-W484 WeakPolarHBondContact O-CB 3.36Å; E480-W484 PolarHBondContact O-N 3.4Å
481L92.1Very high88.5Confident110 Ų110100.6 Ų100.658%0.57651%0.51SS*.Hα-helixtrans-58.7-43.9175.4-170.970.7000112.1L477 W484 C485L477-L481 VanDerWaalsContact O-CB 3.28Å; L477-L481 WeakPolarHBondContact O-CB 3.43Å; L477-L481 PolarHBondContact O-N 2.96Å; L481-W484 PolarHBondContact O-N 3.18Å; L481-C485 WeakPolarHBondContact O-CB 3.36Å; L481-C485 PolarHBondContact O-N 2.81Å; L481-C485 PolarHBondContact O-SG 2.95Å
482K91.4Very high87.2Confident145 Ų14599.6 Ų99.663%0.6351%0.507SS*.Hα-helixtrans-61.2-46.6174.7-79175.2178.3-174.90112A478 T479 E480 W484 C485 L486A478-K482 WeakPolarHBondContact O-CB 3.42Å; A478-K482 VanDerWaalsContact O-CG 3.25Å; A478-K482 WeakPolarHBondContact O-CG 3.14Å; A478-K482 PolarHBondContact O-N 3.45Å; T479-K482 PolarHBondContact O-N 3.04Å; E480-K482 PolarHBondContact O-N 3.47Å; K482-W484 VanDerWaalsContact C-N 3.34Å; K482-W484 PolarHBondContact O-N 3.38Å; K482-C485 PolarHBondContact O-N 3.28Å; K482-L486 WeakPolarHBondContact O-CB 3.46Å; K482-L486 WeakPolarHBondContact O-CG 3.26Å; K482-L486 PolarHBondContact O-N 2.85Å
483S90.4Very high86Confident71 Ų7198.5 Ų98.550%0.49750%0.504SS..Hα-helixtrans-65-37.4178.674.40000112.3T479 E480 S487T479-S483 WeakPolarHBondContact O-CB 3.28Å; T479-S483 PolarHBondContact O-N 3.23Å; T479-S483 PolarHBondContact O-OG 2.94Å; E480-S483 PolarHBondContact O-N 3.38Å; E480-S483 PolarHBondContact O-OG 2.95Å; S483-S487 WeakPolarHBondContact O-CB 3.41Å; S483-S487 PolarHBondContact O-N 2.81Å
484W91.4Very high84.6Confident162 Ų16297.1 Ų97.161%0.61451%0.509SS*.Hα-helixtrans-66.3-45174.3-178.691000111.5E480 L481 K482 S487 K488E480-W484 WeakPolarHBondContact O-CB 3.36Å; E480-W484 PolarHBondContact O-N 3.4Å; L481-W484 PolarHBondContact O-N 3.18Å; K482-W484 VanDerWaalsContact C-N 3.34Å; K482-W484 PolarHBondContact O-N 3.38Å; W484-S487 PolarHBondContact O-N 3.47Å; W484-K488 HydrophobicContact CH2-CG 4.49Å; W484-K488 WeakPolarHBondContact O-CB 3.16Å; W484-K488 PolarHBondContact O-N 3.27Å
485C87.8Confident83.1Confident54 Ų5498.2 Ų98.237%0.36551%0.507SS..Hα-helixtrans-61.4-45.3175.1-74.30000111.9L481 K482 K488 L489L481-C485 WeakPolarHBondContact O-CB 3.36Å; L481-C485 PolarHBondContact O-N 2.81Å; L481-C485 PolarHBondContact O-SG 2.95Å; K482-C485 PolarHBondContact O-N 3.28Å; C485-K488 PolarHBondContact O-N 2.87Å; C485-L489 WeakPolarHBondContact O-CG 3.43Å; C485-L489 PolarHBondContact O-N 2.79Å
486L85.6Confident81.2Confident105 Ų105102.3 Ų102.355%0.5552%0.518SS..Hα-helixtrans-64-45.9176.8-71169000111.8K482 K488 L489 Q490K482-L486 WeakPolarHBondContact O-CB 3.46Å; K482-L486 WeakPolarHBondContact O-CG 3.26Å; K482-L486 PolarHBondContact O-N 2.85Å; L486-K488 PolarHBondContact O-N 2.93Å; L486-L489 PolarHBondContact O-N 2.84Å; L486-Q490 WeakPolarHBondContact O-CB 3.4Å; L486-Q490 WeakPolarHBondContact O-CG 3.37Å; L486-Q490 PolarHBondContact O-N 3.21Å
487S84.9Confident79.5Confident56 Ų56107.9 Ų107.939%0.39254%0.541SS..Hα-helixtrans-61.4-34.6173.8-173.70000111.7S483 W484 N491S483-S487 WeakPolarHBondContact O-CB 3.41Å; S483-S487 PolarHBondContact O-N 2.81Å; W484-S487 PolarHBondContact O-N 3.47Å; S487-N491 WeakPolarHBondContact O-CB 3.36Å; S487-N491 PolarHBondContact O-N 3.47Å; S487-N491 PolarHBondContact O-ND2 3.25Å
488K83.1Confident77.4Confident101 Ų101105.4 Ų105.444%0.43954%0.541SS..Hα-helixtrans-71.6-40.5177.1-167.565.8178.3-178.90112.1W484 C485 L486 N491 M492W484-K488 HydrophobicContact CH2-CG 4.49Å; W484-K488 WeakPolarHBondContact O-CB 3.16Å; W484-K488 PolarHBondContact O-N 3.27Å; C485-K488 PolarHBondContact O-N 2.87Å; L486-K488 PolarHBondContact O-N 2.93Å; K488-N491 PolarHBondContact O-N 3.47Å; K488-M492 VanDerWaalsContact O-CG 3.3Å; K488-M492 WeakPolarHBondContact O-CG 3.49Å; K488-M492 PolarHBondContact O-N 3.45Å; K488-M492 VanDerWaalsContact O-N 3.11Å
489L80.3Confident74.8Confident99 Ų99110.3 Ų110.352%0.51856%0.561SS.*Hα-helixtrans-61.3-50.7172.4-73.2165.9000110.6C485 L486 N491 M492 E493C485-L489 WeakPolarHBondContact O-CG 3.43Å; C485-L489 PolarHBondContact O-N 2.79Å; L486-L489 PolarHBondContact O-N 2.84Å; L489-N491 VanDerWaalsContact C-N 3.29Å; L489-N491 PolarHBondContact O-N 3.44Å; L489-M492 CarbonylContact O-C 3.58Å; L489-M492 WeakPolarHBondContact O-CA 3.36Å; L489-M492 WeakPolarHBondContact O-CB 3.27Å; L489-M492 PolarHBondContact O-N 2.99Å; L489-E493 WeakPolarHBondContact O-CG 3.29Å; L489-E493 PolarHBondContact O-N 2.96Å
490Q76.8Confident72.4Confident114 Ų114111.9 Ų111.953%0.53358%0.576SS.*Hα-helixtrans-57.2-39.9174.9-72.1173.8-17.100112.5L486 M492 E493 V494L486-Q490 WeakPolarHBondContact O-CB 3.4Å; L486-Q490 WeakPolarHBondContact O-CG 3.37Å; L486-Q490 PolarHBondContact O-N 3.21Å; Q490-M492 VanDerWaalsContact C-N 3.25Å; Q490-M492 PolarHBondContact O-N 2.86Å; Q490-E493 WeakPolarHBondContact CA-OE2 3.45Å; Q490-E493 PolarHBondContact O-N 3.23Å; Q490-V494 WeakPolarHBondContact O-CB 3.32Å; Q490-V494 VanDerWaalsContact O-CG2 3.25Å; Q490-V494 WeakPolarHBondContact O-CG2 3.15Å; Q490-V494 PolarHBondContact O-N 3.38Å
491N73.9Confident69.9Low85 Ų85111 Ų11146%0.45558%0.582SS.*Hα-helixtrans-67.8-20.6174.1-89.6-87.1000114S487 K488 L489 R495S487-N491 WeakPolarHBondContact O-CB 3.36Å; S487-N491 PolarHBondContact O-N 3.47Å; S487-N491 PolarHBondContact O-ND2 3.25Å; K488-N491 PolarHBondContact O-N 3.47Å; L489-N491 VanDerWaalsContact C-N 3.29Å; L489-N491 PolarHBondContact O-N 3.44Å; N491-R495 VanDerWaalsContact O-CD 3.31Å; N491-R495 WeakPolarHBondContact O-CD 3.43Å; N491-R495 VanDerWaalsContact O-CG 3.25Å; N491-R495 WeakPolarHBondContact O-CG 3.3Å
492M66.2Low67.2Low86 Ų86111.8 Ų111.842%0.42459%0.591SS.*Hα-helixtrans-86.6-41.1172.5-64.8-69.9-73.900110.7K488 L489 Q490 V494 R495 F496K488-M492 VanDerWaalsContact O-CG 3.3Å; K488-M492 WeakPolarHBondContact O-CG 3.49Å; K488-M492 PolarHBondContact O-N 3.45Å; K488-M492 VanDerWaalsContact O-N 3.11Å; L489-M492 CarbonylContact O-C 3.58Å; L489-M492 WeakPolarHBondContact O-CA 3.36Å; L489-M492 WeakPolarHBondContact O-CB 3.27Å; L489-M492 PolarHBondContact O-N 2.99Å; Q490-M492 VanDerWaalsContact C-N 3.25Å; Q490-M492 PolarHBondContact O-N 2.86Å; M492-V494 PolarHBondContact O-N 3.35Å; M492-R495 WeakPolarHBondContact O-CA 3.23Å; M492-R495 WeakPolarHBondContact O-CB 3.42Å; M492-R495 PolarHBondContact O-N 3.02Å; M492-F496 VanDerWaalsContact O-CD2 3.25Å; M492-F496 WeakPolarHBondContact O-CD2 3.48Å; M492-F496 PolarHBondContact O-N 3.47Å
493E68.3Low64.5Low115 Ų115114 Ų11454%0.53760%0.601SS.*Hα-helixtrans-57.8-45.6172.1-68.7164.5173.800111.3L489 Q490 R495 F496 M497L489-E493 WeakPolarHBondContact O-CG 3.29Å; L489-E493 PolarHBondContact O-N 2.96Å; Q490-E493 WeakPolarHBondContact CA-OE2 3.45Å; Q490-E493 PolarHBondContact O-N 3.23Å; E493-R495 PolarHBondContact O-N 2.94Å; E493-F496 CarbonylContact O-C 3.59Å; E493-F496 PolarHBondContact O-N 3.06Å; E493-F496 VanDerWaalsContact O-N 3.11Å; E493-M497 WeakPolarHBondContact O-CG 3.3Å; E493-M497 PolarHBondContact O-N 3.32Å
494V62.4Low61.8Low102 Ų102117.6 Ų117.662%0.61861%0.614SS**Hα-helixtrans-62.1-29.7174.3168.30000112.4Q490 M492 G498Q490-V494 WeakPolarHBondContact O-CB 3.32Å; Q490-V494 VanDerWaalsContact O-CG2 3.25Å; Q490-V494 WeakPolarHBondContact O-CG2 3.15Å; Q490-V494 PolarHBondContact O-N 3.38Å; M492-V494 PolarHBondContact O-N 3.35Å; V494-G498 PolarHBondContact O-N 3.06Å
495R58.5Low59Low168 Ų168116.8 Ų116.863%0.63462%0.617SS**Hα-helixtrans-73.2-40.9172.1-72.7167.5178.8-147.3-7.5111.8N491 M492 E493 M497 G498N491-R495 VanDerWaalsContact O-CD 3.31Å; N491-R495 WeakPolarHBondContact O-CD 3.43Å; N491-R495 VanDerWaalsContact O-CG 3.25Å; N491-R495 WeakPolarHBondContact O-CG 3.3Å; M492-R495 WeakPolarHBondContact O-CA 3.23Å; M492-R495 WeakPolarHBondContact O-CB 3.42Å; M492-R495 PolarHBondContact O-N 3.02Å; E493-R495 PolarHBondContact O-N 2.94Å; R495-M497 PolarHBondContact O-N 2.93Å; R495-G498 PolarHBondContact O-N 3.24Å
496F51.7Low56.3Low173 Ų173124.4 Ų124.476%0.75964%0.638SS**Hα-helixtrans-66.8-24.4173.7-78.4-68.1000113.4M492 E493 G498M492-F496 VanDerWaalsContact O-CD2 3.25Å; M492-F496 WeakPolarHBondContact O-CD2 3.48Å; M492-F496 PolarHBondContact O-N 3.47Å; E493-F496 CarbonylContact O-C 3.59Å; E493-F496 PolarHBondContact O-N 3.06Å; E493-F496 VanDerWaalsContact O-N 3.11Å; F496-G498 VanDerWaalsContact C-N 3.31Å
497M54.6Low53.7Low166 Ų166124.3 Ų124.382%0.81865%0.647SS**THydrogen-bonded Turntrans-79.7-6.1170.3-69.4-69.3-6900114E493 R495E493-M497 WeakPolarHBondContact O-CG 3.3Å; E493-M497 PolarHBondContact O-N 3.32Å; R495-M497 PolarHBondContact O-N 2.93Å
498G49.2Very low51.1Low54 Ų54127.1 Ų127.156%0.55767%0.666SS**THydrogen-bonded Turntrans-88.7-37.8-176.300000115.3V494 R495 F496V494-G498 PolarHBondContact O-N 3.06Å; R495-G498 PolarHBondContact O-N 3.24Å; F496-G498 VanDerWaalsContact C-N 3.31Å
499D37.5Very low48.7Very low147 Ų147127.2 Ų127.279%0.78668%0.679SS**  trans-107.375.3-170.8-78.4-49.3000112.7S501D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.79Å
500S41.2Very low46.5Very low124 Ų124130.2 Ų130.287%0.86770%0.695SS**  trans-79.960179.869.60000113.8
501S40.1Very low44.4Very low94 Ų94128.8 Ų128.866%0.65770%0.703SS**  trans-153.8150.1164.785.10000116.1D499D499-S501 VanDerWaalsContact C-N 3.28Å; D499-S501 PolarHBondContact O-N 2.79Å
502T36.4Very low42.4Very low126 Ų126132 Ų13277%0.77372%0.72SS**  trans71.978.8164.960.40000120.8
503K35.2Very low40.7Very low191 Ų191134.4 Ų134.483%0.8374%0.735SS**  56.4126114.3-79.7-176.7178.2178.10121.7
504L33.2Very low39Very low148 Ų148136 Ų13678%0.77575%0.746SS**  trans78144.1151.1-53.1159.5000115.9
505Q32.4Very low37.5Very low144 Ų144135.8 Ų135.867%0.67375%0.748SS**  cis-153.7166.5-4.3-135-177.453.700111.8
506R30.6Very low36.1Very low214 Ų214136.3 Ų136.381%0.80876%0.758SS**  trans17.9143.5145.5-78.7178.4172.2162-4.4120.3
507S32.1Very low35Very low104 Ų104131.7 Ų131.773%0.72775%0.752SS**  cis178.4165.67.544.20000114.4
508S29.8Very low33.9Very low115 Ų115132 Ų13280%0.80476%0.757SS**  trans97.6147.2139.7-153.10000120.7
509S31.6Very low32.9Very low102 Ų102132.7 Ų132.771%0.71376%0.763SS**  trans64.6110.2173.9-148.60000116.3
510L34.2Very low32.6Very low162 Ų162130.3 Ų130.385%0.84876%0.764SS**  cis83.9137.947.5-67.1173.8000114.7
511A32.8Very low32.1Very low84 Ų84129.7 Ų129.769%0.69476%0.759SS**  trans69.9134-17800000117
512D33.2Very low31.5Very low154 Ų154130 Ų13082%0.82476%0.762SS**  cis-155.8173.8-13.3-102.4-24.4000111.1
513D29.4Very low31.1Very low135 Ų135130.4 Ų130.472%0.72276%0.764SS**  trans-50.6142.4-178-76.2-45000115.5
514L32.1Very low30.8Very low149 Ų149127.8 Ų127.878%0.7876%0.764SS**  55.4137.580.4-54.8176.5000113.5
515C31.1Very low30.4Very low98 Ų98129.1 Ų129.166%0.66277%0.766SS**  cis-153.2-170.714.4-138.40000113.2
516E29.1Very low30.8Very low179 Ų179127.8 Ų127.884%0.83677%0.77SS**  trans-1.2166.7149.8-70.5179.5169.300122
517A30.3Very low30.5Very low76 Ų76121.8 Ų121.863%0.62877%0.766SS**  cis-179.1152-25.300000107.6
518D29.8Very low30.2Very low173 Ų173124.6 Ų124.693%0.92577%0.768SS**  trans55175.5174-68.6-21.2000115.2
519G29.6Very low30.2Very low67 Ų67126.7 Ų126.769%0.69177%0.769SS**  cis-179.2135.8-15.600000111.5
520A31.1Very low30Very low97 Ų97124.6 Ų124.680%0.80276%0.764SS**  trans55.197.516300000121
521S29.2Very low29.7Very low111 Ų111123 Ų12378%0.77677%0.765SS**  96.2145.511986.50000122.6
522S29.2Very low29.5Very low101 Ų101124.3 Ų124.371%0.70677%0.768SS**  trans82.287.9143.6-53.20000121.7
523T26.8Very low29.6Very low134 Ų134122.1 Ų122.182%0.82277%0.765SS**  58.2114.5120-38.80000120.7
524V28.3Very low30.2Very low136 Ų136120.5 Ų120.582%0.82476%0.762SS**  175.8152.8121.9148.90000110
525Q24.7Very low30.2Very low177 Ų177121.3 Ų121.383%0.82777%0.766SS**  trans-98.6-172177.2-45.3176.4-54.400110.5
526P41Very low30.6Very low116 Ų116122.2 Ų122.275%0.75377%0.771SS**  cis-137.9-157.3-6.741-19.9000114.3
527A25.1Very low30.4Very low87 Ų87121 Ų12172%0.71977%0.769SS**  trans80115.8161.700000117.7
528E26.1Very low30.9Very low164 Ų164123.5 Ų123.577%0.76678%0.779SS**  78.213666.4-77.9-81.858.800113.2
529L30.6Very low30.6Very low159 Ų159120 Ų12083%0.83277%0.768SS**  cis-134.2175.410.8-65.990000110.3
530G27Very low30.5Very low58 Ų58128.5 Ų128.560%0.59878%0.78SS**  cis155.6171.4-7.800000113.8
531C26.4Very low30.2Very low129 Ų129128.2 Ų128.287%0.87278%0.777SS**  trans66.6138.5174.2-64.20000117
532S30.3Very low30Very low110 Ų110132.2 Ų132.277%0.76978%0.783SS**  cis-154.5-176.216.3-30.70000108.5
533S34.7Very low29.8Very low108 Ų108132 Ų13276%0.75579%0.788SS**  cis179.9178.7-14.6-110.50000107.4
534P42.8Very low29.8Very low101 Ų101130.4 Ų130.466%0.65678%0.783SS**  cis-136.2145.1-30.835.6-18.1000115.3
535L30.6Very low29.6Very low166 Ų166132.9 Ų132.987%0.86978%0.782SS**  trans53167.5136.7-64174.8000122.4
536P40Very low29.8Very low117 Ų117130.1 Ų130.176%0.7678%0.777SS**  cis-124.2171.1-537.6-21.7000116
537L25.3Very low29.1Very low154 Ų154133.9 Ų133.981%0.80679%0.785SS**  trans-103.3174.8162.1-80.4161.6000110.3
538P39.8Very low29Very low128 Ų128133.5 Ų133.583%0.83179%0.789SS**  -140177.7106.839.2-27.9000114.5
539S24.6Very low29Very low100 Ų100129.5 Ų129.570%0.69979%0.792SS**  trans-156164.4-177.170.50000112.6
540R26.4Very low28.9Very low246 Ų246127.8 Ų127.893%0.92879%0.793SS**  trans67.8164.4164.3-106.3172.3173.7165.7-2.7115.6
541A24.8Very low29Very low91 Ų91129.4 Ų129.475%0.75280%0.801SS**  cis-143.6-1772.500000112.8
542E25.3Very low29.1Very low194 Ų194127.8 Ų127.891%0.90779%0.791SS**  trans-93.4150.2-177.3-52.7160.8106.200113.9
543A25.1Very low29Very low98 Ų98131.7 Ų131.781%0.8180%0.797SS**  trans167.4160.9145.900000110.3
544S26.2Very low28.7Very low100 Ų100134.8 Ų134.870%0.69979%0.793SS**  cis-172.1156.1-35.768.70000108.5
545K25.7Very low27.8Very low188 Ų188137.6 Ų137.682%0.81780%0.795SS**  trans68.2121.5161.7-68.5-177.1176.3178.70121.8
546V27.2Very low27.7Very low119 Ų119135.9 Ų135.972%0.72179%0.792SS**  75.6134.7123.2179.70000121.4
547E26.4Very low27Very low194 Ų194134.7 Ų134.791%0.90778%0.782SS**  trans67.3157.4162-86.1176.7-156.200121.6
548G24.4Very low27Very low79 Ų79136.2 Ų136.281%0.81479%0.785SS**  trans121102.715400000116.6
549G25.3Very low26.5Very low80 Ų80136 Ų13683%0.82578%0.78SS**  trans-85.9178.4-176.100000118.4
550S28.8Very low26.5Very low124 Ų124139.2 Ų139.287%0.86779%0.785SS**  trans57.397.4142.9-177.20000121.4
551A28.3Very low26.5Very low92 Ų92133.8 Ų133.876%0.7677%0.774SS**  trans-178.1129.5133.200000107.2
552S28.9Very low26.7Very low95 Ų95134.1 Ų134.166%0.66477%0.771SS**  cis66.2102.724.7-158.60000114.7
553H28.7Very low27.7Very low192 Ų192130 Ų13089%0.88976%0.761SS**  trans-125.8116.6166.2-134.9-66.8000109.7
554Y28Very low27.8Very low172 Ų172132.8 Ų132.868%0.67576%0.762SS**  trans-76.1176.2168-77.5-111.5000109.9
555F25.2Very low27.8Very low160 Ų160131.9 Ų131.970%0.70277%0.769SS**  cis-139.3176.114.4-113.9-67.4000108.9V557F555-V557 HydrophobicContact CD1-CG2 4.17Å; F555-V557 HydrophobicContact CE1-CG2 3.98Å
556V27.1Very low27.8Very low131 Ų131130.5 Ų130.579%0.79477%0.765SS**  -154.7153.763.2166.10000110.5
557V25.6Very low27.9Very low91 Ų91133.4 Ų133.455%0.55277%0.768SS**  trans-114.1143.4178.31720000110.5F555 V559F555-V557 HydrophobicContact CD1-CG2 4.17Å; F555-V557 HydrophobicContact CE1-CG2 3.98Å; V557-V559 HydrophobicContact CG1-CG2 4.17Å
558H25.1Very low27.8Very low187 Ų187131.7 Ų131.787%0.86676%0.76SS**  trans-139.1137.3148.2-96.3-65.4000110.1
559V29.2Very low27.9Very low122 Ų122136.2 Ų136.274%0.73976%0.76SS**  trans-148.1133.7176.5171.80000106.7V557V557-V559 HydrophobicContact CG1-CG2 4.17Å
560E24.3Very low27.9Very low169 Ų169141 Ų14179%0.7976%0.758SS**  trans173.4144.1160.6-83.2-120.7178.600106.5
561N26.9Very low27.7Very low132 Ų132140.7 Ų140.771%0.70675%0.751SS**  cis-157.3-175.7-18.1-130.4-28.9000111.4
562S29.7Very low27.4Very low97 Ų97144.4 Ų144.468%0.67875%0.753SS**  trans-66.1176.9-177.5-129.90000115.2
563P46.8Very low27.2Very low108 Ų108145.9 Ų145.970%0.70176%0.757SS**  -149.5159.151.241.4-19.6000121.1
564D27.1Very low27Very low156 Ų156141 Ų14183%0.83475%0.75SS**  trans41.1141.9137.2-52.4-22.2000125.4
565G25.4Very low26.9Very low82 Ų82137.5 Ų137.585%0.84576%0.757SS**  trans167.6113161.200000115
566E26.7Very low26.8Very low159 Ų159138.3 Ų138.374%0.74377%0.768SS**  trans-88.7143.4175.6-45.5177.4132.400112.9
567K27.6Very low26.7Very low180 Ų180137 Ų13778%0.78376%0.764SS**  164.7168.1112.2-98.1155.7-172.7147.30116.4
568E24.3Very low26.9Very low157 Ų157137.8 Ų137.873%0.73477%0.773SS**  trans-72.3150.7-174.6-52.9163.299.800113.4
569H28.1Very low26.9Very low174 Ų174135.3 Ų135.381%0.80677%0.771SS**  -173.8-179.4104.7-105.1-67.2000114
570K23.3Very low26.7Very low180 Ų180137.4 Ų137.478%0.78377%0.773SS**  trans-94.7174.7-171.5-65.5172.1177169.60112.8
571T24.7Very low26.8Very low118 Ų118134.5 Ų134.572%0.72477%0.767SS**  trans81.3106.5144.921.70000120
572E23.3Very low26.7Very low171 Ų171134.2 Ų134.280%0.79977%0.769SS**  90.8150.8120.3-123.4172.5-115.900121.7
573V23.8Very low26.5Very low125 Ų125139.5 Ų139.576%0.75878%0.775SS**  trans46.1107.2167.4-158.10000119.1
574A24.5Very low25.7Very low89 Ų89140.4 Ų140.474%0.73678%0.78SS**  174.6138.7105.900000112.4
575A26.3Very low25.6Very low99 Ų99140.6 Ų140.682%0.81877%0.774SS**  trans-106.1127.3162.100000109
576L23.6Very low25.8Very low178 Ų178142.4 Ų142.493%0.93276%0.76SS**  trans-137.1146.4167.4-77.7178.4000109.8
577S24Very low25.8Very low102 Ų102144.9 Ų144.971%0.71376%0.763SS**  trans-128.2154.3-175.464.80000113
578S29.3Very low25.7Very low108 Ų108140.7 Ų140.776%0.75576%0.756SS**  trans63.8117.5143.860.70000120.9
579V25.8Very low25.8Very low135 Ų135137.1 Ų137.182%0.81875%0.754SS**  trans-155.1142.3168.3164.40000106
580Q26.2Very low25.8Very low167 Ų167136.6 Ų136.678%0.7876%0.757SS**  cis-163.6165.6-18.5-108.7-160.510700107.2
581V25.9Very low26.1Very low108 Ų108131.2 Ų131.266%0.65575%0.745SS**  cis-127.6-124.4-8.755.80000108.4
582V24.6Very low26.3Very low126 Ų126133.1 Ų133.176%0.76475%0.746SS**  cis-125-167.5-1.3-1490000108.9
583R24.8Very low26.4Very low208 Ų208135 Ų13579%0.78575%0.746SS**  trans-150.7167.1174.1-85.5-168.217198.6-7.1110.7
584P29.7Very low26.6Very low127 Ų127135.5 Ų135.583%0.82575%0.745SS**  -118.4145.791.4-3.724.5000112.2
585K25.7Very low26.8Very low159 Ų159139.1 Ų139.169%0.69174%0.744SS**  cis79.7123.134.9-172168.6-173.8171.40112.2
586E29.3Very low26.9Very low121 Ų121141.8 Ų141.857%0.56574%0.739SS**  cis-154.8179.5-10-114.7163.3-128.100105.9
587R26.3Very low27Very low210 Ų210139.7 Ų139.779%0.79273%0.729SS**  cis-158.3-172.710.4-131.4179.9-121.8-149.2-9.5106.8
588S25.7Very low27.3Very low93 Ų93141.4 Ų141.465%0.6573%0.729SS**  cis-157.2136.6-5.242.90000111
589A27.5Very low27.1Very low82 Ų82143.7 Ų143.768%0.67873%0.728SS**  trans52.7122133.900000120.7
590D27.2Very low27Very low163 Ų163147.6 Ų147.687%0.87273%0.728SS**  81.8153.753.9-68.7-56.2000112.8
591A29.1Very low26.9Very low66 Ų66144.8 Ų144.855%0.54573%0.733SS.*  cis-156.1153.714.300000113.6
592Q29.5Very low26.9Very low159 Ų159143.5 Ų143.574%0.74374%0.742SS**  trans58.5168.8136.9-66.1170-20.400118.1
593R26.4Very low27Very low209 Ų209146.2 Ų146.279%0.78975%0.751SS**  cis-157.8169.8-7.6-124.5166.8179.6166.3-2.5105.8
594N27.8Very low27.1Very low137 Ų137141.2 Ų141.273%0.73376%0.755SS**  cis-153.7-1712.5-165.717.1000109.9
595K28Very low27Very low165 Ų165142.6 Ų142.672%0.71776%0.755SS**  trans-76.9172.6162.9-50.8170.2180173.40110.5
596Q29Very low27.8Very low155 Ų155139.4 Ų139.472%0.72475%0.75SS**  cis-166.5147.618.3-149.9156.1-1300113.5
597N26.1Very low27.7Very low133 Ų133142.9 Ų142.971%0.71176%0.764SS**  trans51.6134.9147.3-76.26.6000126.5
598L28.4Very low27.8Very low138 Ų138137.2 Ų137.272%0.72376%0.762SS**  trans94.8115.6134.5-105.972.5000123.8
599Q26.4Very low28Very low156 Ų156138.1 Ų138.173%0.72978%0.775SS**  trans77114.9134.1-89.2-176.456.400124.2
600R23.9Very low28Very low218 Ų218138.1 Ų138.182%0.82378%0.783SS**  98.297.4119.4-160.8173.6-168168.41.4120.6
601A24.7Very low28.1Very low107 Ų107142 Ų14288%0.88479%0.785SS**  trans50.2125.5136.900000121.9
602G24.6Very low28.5Very low81 Ų81144 Ų14484%0.83579%0.792SS**  trans-169.7127.1164.100000111.8
603L27.2Very low28.3Very low183 Ų183147.9 Ų147.996%0.95880%0.8SS**  trans-82.8138.3-174.5-66.9153.7000112.7
604A26.3Very low28.4Very low104 Ų104146.9 Ų146.986%0.8680%0.804SS**  trans-172.4133.4138.900000112.6
605D27.4Very low28.3Very low155 Ų155151.5 Ų151.583%0.82981%0.812SS**  trans-118.3172.7162.8-142.48.7000105.1
606P43.9Very low28.2Very low92 Ų92147.6 Ų147.660%0.59781%0.81SS**  cis-148.8-174.228.244.7-23.5000118.2
607K27.4Very low28.2Very low195 Ų195145.3 Ų145.385%0.84881%0.811SS**  trans80.5140.6158.2-67.9171.9-174.9175.60117.2
608A27Very low28.2Very low91 Ų91143.5 Ų143.575%0.75281%0.809SS**  cis-164.5177.3-7.500000113.2
609A29.5Very low28.2Very low111 Ų111144.8 Ų144.892%0.91782%0.816SS**  trans85129.2166.800000118.4
610G28Very low28.5Very low82 Ų82142.6 Ų142.685%0.84582%0.817SS**  trans144.285.3174.800000115.8
611R29Very low29.3Very low244 Ų244138.7 Ų138.792%0.92182%0.82SS**  trans-112.6155.6162.2-94.9-174.4175.6-166-0.3107.2
612P38.5Very low29.4Very low108 Ų108138.1 Ų138.170%0.70182%0.816SS**  cis-156.1163.247.842.1-20.7000121.1
613R25.6Very low29.7Very low241 Ų241141.5 Ų141.591%0.90982%0.82SS**  trans71.5143.4139-77.1170.6-179.3178.80.5122.9
614H27.9Very low29.6Very low189 Ų189135.7 Ų135.788%0.87581%0.805SS**  trans-101.5153.7164.2-51.8-103.5000111.9
615R24.6Very low29.5Very low234 Ų234143 Ų14388%0.88381%0.81SS**  trans-172.3140.5142-104.9174.7-178.6-174.6-0.9107
616A26.1Very low29.4Very low82 Ų82146.4 Ų146.468%0.67881%0.811SS**  cis79.8137.823.300000115.6
617S29.4Very low28.4Very low107 Ų107147.4 Ų147.475%0.74882%0.819SS**  trans62.3159.4179.2150000117.3
618S27.7Very low28.2Very low95 Ų95143.4 Ų143.466%0.66482%0.816SS**  cis169.6167.1-35.952.70000109.2
619L27.9Very low28.2Very low166 Ų166143.3 Ų143.387%0.86981%0.809SS**  trans81.9133.3163.8-55.3170.3000118.8
620S31.6Very low28Very low110 Ų110149.7 Ų149.777%0.76981%0.81SS**  trans-90173.4153.1-44.70000109.3
621P42Very low27.9Very low135 Ų135152.5 Ų152.588%0.87781%0.805SS**  -145-17089.438.2-20.9000113.6
622A27.1Very low28Very low96 Ų96148.1 Ų148.179%0.79381%0.805SS**  trans-123.7146.8-170.500000114.3
623T29.6Very low27.4Very low151 Ų151149.7 Ų149.793%0.92680%0.804SS**  trans-165.1157.1157.531.40000107.2
624G25.6Very low27.5Very low62 Ų62149 Ų14964%0.63980%0.801SS**  cis143121.8-3.100000111.5
625R25Very low27.3Very low257 Ų257143.6 Ų143.697%0.9780%0.797SS**  trans71.7173.6-176.8-49.7175.9-177.1-133.3-1.3115.1
626R23.8Very low27.4Very low227 Ų227144.2 Ų144.286%0.85780%0.799SS**  176.7157.5-52.7-145.4-175.8-155.8-148.47.2106.2
627C23.3Very low27.4Very low112 Ų112147.3 Ų147.376%0.75781%0.809SS**  trans70.2154171-54.40000115.4
628S23.8Very low27.3Very low112 Ų112153.6 Ų153.678%0.78382%0.816SS**  cis-166.7167.7-18.345.70000111
629S25.8Very low27.1Very low88 Ų88153.5 Ų153.562%0.61582%0.822SS**  trans-30.3145.4169.8154.60000116.7D631S629-D631 PolarHBondContact OG-OD2 3.11Å
630R26.6Very low27.1Very low246 Ų246153.9 Ų153.993%0.92882%0.816SS**  -152.3127.5126.3-109.7170.5-165.2-170.12.8112.5
631D26Very low26.9Very low140 Ų140155.3 Ų155.375%0.74981%0.81SS**  trans-82.9151.6175.2-54-99.4000111.9S629S629-D631 PolarHBondContact OG-OD2 3.11Å
632V30.4Very low26.1Very low152 Ų152156.3 Ų156.392%0.92180%0.803SS**  trans-138.9135.9154.4-178.20000108.1
633E25.3Very low26.1Very low142 Ų142159.2 Ų159.266%0.66480%0.8SS**  trans-108.9162.8-171.5-162.6-162.7-146.400111.8
634R28.1Very low26Very low226 Ų226159.9 Ų159.985%0.85379%0.791SS**  trans84.2150.4165.2-49.7176.3-170.5-163.3-4115.9
635G24.7Very low26.2Very low76 Ų76165 Ų16578%0.78480%0.797SS**  cis-153.3-178.47.900000115.5
636R27Very low26.4Very low247 Ų247157.5 Ų157.593%0.93279%0.79SS**  trans-83.8162.6-174.5-58.2170.7173.3170.3-3.5113
637V25.3Very low26.6Very low147 Ų147150.4 Ų150.489%0.89179%0.788SS**  -175.8173.6112.2148.60000111.1
638R26.5Very low26.8Very low238 Ų238148.4 Ų148.490%0.89879%0.786SS**  trans-100.5177.2-163.4-66.2168.7155.6178-7.2114.6
639A24.4Very low27.3Very low94 Ų94155.1 Ų155.178%0.77779%0.794SS**  trans84.1154.8146.300000118.6
640K28Very low27.5Very low173 Ų173156.8 Ų156.875%0.75280%0.801SS**  cis-174.6139.8-37.1-132.2-172.3165.7-147.70109.9
641Q27.1Very low27.6Very low140 Ų140156.5 Ų156.565%0.65480%0.8SS**  trans70.2163.1152.4-73.1176.4-92.100122.2
642H24.8Very low27.8Very low157 Ų157154.5 Ų154.573%0.72780%0.797SS**  trans70.4122.9-177.1-56.7-66.1000117.5
643E26.6Very low27.7Very low157 Ų157159.1 Ų159.173%0.73480%0.798SS**  cis90.2121.918-166.9-169.4-149.400116.1
644K28.3Very low27.8Very low165 Ų165156 Ų15672%0.71780%0.803SS**  trans176.7130.4130.1-98.6174.6178.2176.40115.3
645H30.1Very low27.7Very low169 Ų169152.9 Ų152.978%0.78280%0.804SS**  trans51151.2146-52.6-39.9000121.6
646A28.2Very low28Very low99 Ų99155.8 Ų155.882%0.81881%0.806SS**  cis-141-173.45.600000109.9
647G29.1Very low28Very low79 Ų79147.8 Ų147.881%0.81480%0.801SS**  cis112.6131.74.400000112.8
648G27.2Very low28.5Very low69 Ų69148.6 Ų148.671%0.71180%0.799SS**  cis164.1-159.84.300000113.4
649R32.8Very low28.6Very low253 Ų253149.1 Ų149.196%0.95580%0.8SS**  trans75.5155178.2-54.4176.9171.2170.2-2.5115.1
650T30Very low28.7Very low123 Ų123150.3 Ų150.376%0.75580%0.798SS**  cis-126.6141.29.844.40000111.8
651R30.1Very low28.8Very low240 Ų240150.2 Ų150.291%0.90680%0.803SS**  57.2139.782.8-81.2-172.7175-167.7-2.5114.8
652S30.3Very low28.8Very low98 Ų98152 Ų15269%0.68581%0.811SS**  cis-164.3159.619.654.70000116.2
653R27Very low28.9Very low249 Ų249152.1 Ų152.194%0.9482%0.816SS**  trans59.1145155.9-73.1175.8167.1169.2-7118.7
654G28Very low29.3Very low76 Ų76153 Ų15378%0.78483%0.825SS**  cis119.5109.6-15.500000115.9
655D26.6Very low29.4Very low162 Ų162153.4 Ų153.487%0.86683%0.827SS**  trans-157.1175.4160.6-151.7-14.8000111.1
656T30.5Very low29.4Very low136 Ų136154 Ų15483%0.83484%0.836SS**  trans-128.9149-168.649.80000114.4
657G27.3Very low29.5Very low79 Ų79156.5 Ų156.581%0.81484%0.835SS**  trans-174.6138.3171.400000113.7
658I35.2Very low29.8Very low165 Ų165158.4 Ų158.485%0.84684%0.836SS**  trans-104.7137.9-178.9-64.4159.8000110
659R28.8Very low30Very low248 Ų248158.6 Ų158.694%0.93684%0.837SS**  trans-159.3150149.2-111.1163.3-166-174.83111.9
660T27.5Very low30.6Very low120 Ų120149.5 Ų149.574%0.73682%0.822SS**  trans-110.4151.6-174.646.30000111.7
661M30.1Very low31.3Very low170 Ų170147.5 Ų147.584%0.83781%0.811SS**  trans57.9108.6158.9-65.8-68.4-7400117.8
662E27.3Very low32.4Very low177 Ų177139.6 Ų139.683%0.82779%0.793SS**  163.5118.7115.1-91.2-177.5-171.600111.7
663L25.7Very low33.2Very low161 Ų161141.4 Ų141.484%0.84379%0.789SS**  177.5109.4126.7-103.1159.9000112K665L663-K665 PolarHBondContact O-N 3.49Å
664L34.5Very low34.5Very low176 Ų176132.3 Ų132.392%0.92177%0.766SS**  trans-82.6103167.1174.376.8000108.8
665K31.7Very low35.6Very low172 Ų172134.6 Ų134.675%0.74876%0.757SS**  trans-155.425.9171-133.3176.6-176177.80119.3L663 L667L663-K665 PolarHBondContact O-N 3.49Å; K665-L667 PolarHBondContact O-N 3.32Å
666D28.6Very low36.9Very low182 Ų182131.4 Ų131.497%0.97374%0.737SS**  trans-77.174.7166.6-74.7-29.1000111.2
667L31.1Very low38.4Very low152 Ų152132.5 Ų132.580%0.79673%0.726SS**  trans-94.7132.2162.1-94.8167.1000109.1K665 G669K665-L667 PolarHBondContact O-N 3.32Å; L667-G669 PolarHBondContact O-N 3.34Å
668S35.3Very low40.1Very low119 Ų119134.2 Ų134.283%0.83272%0.716SS**  trans-46.3105-176.153.10000113.9
669G32.2Very low41.4Very low73 Ų73129.8 Ų129.875%0.75370%0.7SS**PPolyproline II helixtrans-71.6125.9160.600000109.9L667L667-G669 PolarHBondContact O-N 3.34Å
670G43.9Very low43.3Very low62 Ų62123.7 Ų123.764%0.63968%0.684SS**PPolyproline II helixtrans-62.6166.3160.200000110.7S672G670-S672 PolarHBondContact O-N 3.39Å
671P45.2Very low45.5Very low80 Ų80123.2 Ų123.252%0.51967%0.673SS.*PPolyproline II helixtrans-55.2132.1176.725.7-34.3000109.8E676P671-E676 HydrophobicContact CB-CG 4.13Å; P671-E676 HydrophobicContact CG-CG 4.12Å
672S53.1Low47.6Very low74 Ų74117.8 Ų117.852%0.51766%0.655SS.*PPolyproline II helixtrans-62.7144.7177176.30000109.8G670 A674 Q675 E676G670-S672 PolarHBondContact O-N 3.39Å; S672-A674 CarbonylContact O-C 3.58Å; S672-A674 PolarHBondContact O-N 2.88Å; S672-Q675 WeakPolarHBondContact O-CA 3.31Å; S672-Q675 WeakPolarHBondContact O-CB 3.37Å; S672-Q675 PolarHBondContact O-N 3.26Å; S672-E676 PolarHBondContact O-N 3.3Å
673F48Very low49.9Very low137 Ų137113.3 Ų113.360%0.60164%0.639SS**Hα-helixtrans-55.9-21177-165.2-115.1000113.2R677F673-R677 VanDerWaalsContact O-CG 3.31Å; F673-R677 WeakPolarHBondContact O-CG 3.49Å; F673-R677 PolarHBondContact O-N 3.28Å
674A54.1Low52.7Low57 Ų57110 Ų11047%0.47162%0.619SS.*Hα-helixtrans-69.6-47.216800000112.5S672 E676 R677 D678S672-A674 CarbonylContact O-C 3.58Å; S672-A674 PolarHBondContact O-N 2.88Å; A674-E676 VanDerWaalsContact C-N 3.33Å; A674-E676 PolarHBondContact O-N 2.93Å; A674-R677 WeakPolarHBondContact O-CB 3.41Å; A674-R677 PolarHBondContact O-N 2.9Å; A674-R677 VanDerWaalsContact O-N 3.15Å; A674-D678 PolarHBondContact O-N 3Å
675Q52Low55Low124 Ų124105.2 Ų105.258%0.57960%0.597SS**Hα-helixtrans-66.4-33.7178.8-171.7177.63.200112.3S672 S679S672-Q675 WeakPolarHBondContact O-CA 3.31Å; S672-Q675 WeakPolarHBondContact O-CB 3.37Å; S672-Q675 PolarHBondContact O-N 3.26Å; Q675-S679 VanDerWaalsContact O-CB 3.26Å; Q675-S679 WeakPolarHBondContact O-CB 3.47Å; Q675-S679 PolarHBondContact O-N 3.23Å
676E53.9Low57.3Low96 Ų96100.5 Ų100.545%0.44958%0.583SS.*Hα-helixtrans-66.8-40.4170.9-66-169.5136.200111.9P671 S672 A674 S679 M680P671-E676 HydrophobicContact CB-CG 4.13Å; P671-E676 HydrophobicContact CG-CG 4.12Å; S672-E676 PolarHBondContact O-N 3.3Å; A674-E676 VanDerWaalsContact C-N 3.33Å; A674-E676 PolarHBondContact O-N 2.93Å; E676-S679 WeakPolarHBondContact O-CB 3.33Å; E676-S679 PolarHBondContact O-N 2.89Å; E676-M680 WeakPolarHBondContact O-CG 3.34Å; E676-M680 PolarHBondContact O-N 2.84Å
677R61.7Low59.9Low158 Ų15897.8 Ų97.860%0.59657%0.565SS**Hα-helixtrans-65.6-42.5173.9-78.5177.3172.7-150.5-5.3112.7F673 A674 S679 M680 H681F673-R677 VanDerWaalsContact O-CG 3.31Å; F673-R677 WeakPolarHBondContact O-CG 3.49Å; F673-R677 PolarHBondContact O-N 3.28Å; A674-R677 WeakPolarHBondContact O-CB 3.41Å; A674-R677 PolarHBondContact O-N 2.9Å; A674-R677 VanDerWaalsContact O-N 3.15Å; R677-S679 VanDerWaalsContact C-N 3.29Å; R677-S679 PolarHBondContact O-N 3.46Å; R677-M680 PolarHBondContact O-N 3.34Å; R677-H681 WeakPolarHBondContact O-CB 3.16Å; R677-H681 PolarHBondContact O-N 3.23Å
678D62Low62.5Low115 Ų11598.3 Ų98.362%0.61556%0.557SS**Hα-helixtrans-64.4-37175.4-67.3-26.3000111A674 A682A674-D678 PolarHBondContact O-N 3Å; D678-A682 VanDerWaalsContact O-CB 3.29Å; D678-A682 WeakPolarHBondContact O-CB 3.39Å; D678-A682 PolarHBondContact O-N 3.43Å
679S63.4Low65.1Low73 Ų7398.9 Ų98.951%0.5155%0.545SS..Hα-helixtrans-64.3-48172.3-176.60000112.1Q675 E676 R677 A682 V683Q675-S679 VanDerWaalsContact O-CB 3.26Å; Q675-S679 WeakPolarHBondContact O-CB 3.47Å; Q675-S679 PolarHBondContact O-N 3.23Å; E676-S679 WeakPolarHBondContact O-CB 3.33Å; E676-S679 PolarHBondContact O-N 2.89Å; R677-S679 VanDerWaalsContact C-N 3.29Å; R677-S679 PolarHBondContact O-N 3.46Å; S679-A682 PolarHBondContact O-N 2.88Å; S679-V683 WeakPolarHBondContact O-CG2 3.24Å; S679-V683 PolarHBondContact O-N 2.87Å
680M69.1Low67.6Low120 Ų120102 Ų10259%0.59154%0.538SS*.Hα-helixtrans-60.6-46.1175.8-75.8-177.565.500111.4E676 R677 A682 V683 E684E676-M680 WeakPolarHBondContact O-CG 3.34Å; E676-M680 PolarHBondContact O-N 2.84Å; R677-M680 PolarHBondContact O-N 3.34Å; M680-A682 VanDerWaalsContact C-N 3.34Å; M680-A682 PolarHBondContact O-N 3.09Å; M680-V683 WeakPolarHBondContact O-CB 3.39Å; M680-V683 PolarHBondContact O-N 3.45Å; M680-V683 VanDerWaalsContact O-N 3.12Å; M680-E684 WeakPolarHBondContact O-CG 3.35Å; M680-E684 PolarHBondContact O-N 2.92Å
681H72Confident69.7Low110 Ų110104 Ų10451%0.50953%0.531SS..Hα-helixtrans-65.3-37.2179.5-16953.2000112.1R677 E684 V685R677-H681 WeakPolarHBondContact O-CB 3.16Å; R677-H681 PolarHBondContact O-N 3.23Å; H681-E684 IonicContact ND1-OE2 3.88Å; H681-E684 PolarHBondContact O-N 2.97Å; H681-V685 WeakPolarHBondContact O-CB 3.38Å; H681-V685 VanDerWaalsContact O-CG2 3.24Å; H681-V685 WeakPolarHBondContact O-CG2 3.23Å; H681-V685 PolarHBondContact O-N 3.44Å
682A73.9Confident71.7Confident55 Ų55102.6 Ų102.646%0.45553%0.526SS..Hα-helixtrans-62.5-41.3171.400000112.1D678 S679 M680 T686D678-A682 VanDerWaalsContact O-CB 3.29Å; D678-A682 WeakPolarHBondContact O-CB 3.39Å; D678-A682 PolarHBondContact O-N 3.43Å; S679-A682 PolarHBondContact O-N 2.88Å; M680-A682 VanDerWaalsContact C-N 3.34Å; M680-A682 PolarHBondContact O-N 3.09Å; A682-T686 WeakPolarHBondContact O-CG2 3.43Å; A682-T686 PolarHBondContact O-N 2.77Å; A682-T686 PolarHBondContact O-OG1 2.89Å
683V77.6Confident73.5Confident84 Ų84102 Ų10251%0.50952%0.519SS..Hα-helixtrans-62.4-50174.2171.40000110.7S679 M680 V685 T686 Q687S679-V683 WeakPolarHBondContact O-CG2 3.24Å; S679-V683 PolarHBondContact O-N 2.87Å; M680-V683 WeakPolarHBondContact O-CB 3.39Å; M680-V683 PolarHBondContact O-N 3.45Å; M680-V683 VanDerWaalsContact O-N 3.12Å; V683-V685 PolarHBondContact O-N 2.94Å; V683-T686 PolarHBondContact O-N 3.19Å; V683-T686 PolarHBondContact O-OG1 3.39Å; V683-Q687 WeakPolarHBondContact O-CB 3.35Å; V683-Q687 PolarHBondContact O-N 2.95Å
684E82.6Confident75.1Confident90 Ų9097.7 Ų97.742%0.42151%0.506SS..Hα-helixtrans-55.8-48.8176-71.5172.617400112.1M680 H681 T686 Q687 Y688M680-E684 WeakPolarHBondContact O-CG 3.35Å; M680-E684 PolarHBondContact O-N 2.92Å; H681-E684 IonicContact ND1-OE2 3.88Å; H681-E684 PolarHBondContact O-N 2.97Å; E684-T686 VanDerWaalsContact C-N 3.34Å; E684-T686 PolarHBondContact O-N 3.48Å; E684-Q687 PolarHBondContact O-N 2.9Å; E684-Q687 VanDerWaalsContact O-N 3.15Å; E684-Y688 HydrophobicContact CB-CE2 4.49Å; E684-Y688 WeakPolarHBondContact O-CD2 3.46Å; E684-Y688 PolarHBondContact O-N 3.42Å
685V82.9Confident76.8Confident76 Ų7697.1 Ų97.146%0.46150%0.496SS..Hα-helixtrans-62.6-39.3179.2168.60000111.5H681 V683 F689H681-V685 WeakPolarHBondContact O-CB 3.38Å; H681-V685 VanDerWaalsContact O-CG2 3.24Å; H681-V685 WeakPolarHBondContact O-CG2 3.23Å; H681-V685 PolarHBondContact O-N 3.44Å; V683-V685 PolarHBondContact O-N 2.94Å; V685-F689 VanDerWaalsContact O-CB 3.3Å; V685-F689 WeakPolarHBondContact O-CB 3.37Å; V685-F689 PolarHBondContact O-N 2.88Å
686T81.6Confident78.3Confident74 Ų7496.2 Ų96.245%0.45449%0.492SS..Hα-helixtrans-68.9-36.7173.559.60000112.5A682 V683 E684 F689 F690A682-T686 WeakPolarHBondContact O-CG2 3.43Å; A682-T686 PolarHBondContact O-N 2.77Å; A682-T686 PolarHBondContact O-OG1 2.89Å; V683-T686 PolarHBondContact O-N 3.19Å; V683-T686 PolarHBondContact O-OG1 3.39Å; E684-T686 VanDerWaalsContact C-N 3.34Å; E684-T686 PolarHBondContact O-N 3.48Å; T686-F689 PolarHBondContact O-N 3.18Å; T686-F690 WeakPolarHBondContact O-CD2 3.41Å; T686-F690 PolarHBondContact O-N 2.97Å
687Q83.4Confident79.4Confident124 Ų12496.1 Ų96.158%0.57949%0.493SS*.Hα-helixtrans-63.6-51.1175.2-178172.5-26.100111.1V683 E684 F689 F690 E691V683-Q687 WeakPolarHBondContact O-CB 3.35Å; V683-Q687 PolarHBondContact O-N 2.95Å; E684-Q687 PolarHBondContact O-N 2.9Å; E684-Q687 VanDerWaalsContact O-N 3.15Å; Q687-F689 VanDerWaalsContact C-N 3.26Å; Q687-F689 PolarHBondContact O-N 3.44Å; Q687-F690 PolarHBondContact O-N 3.45Å; Q687-F690 VanDerWaalsContact O-N 3.15Å; Q687-E691 WeakPolarHBondContact O-CB 3.35Å; Q687-E691 PolarHBondContact O-N 2.95Å
688Y85.3Confident80.5Confident164 Ų16494 Ų9464%0.64349%0.49SS*.Hα-helixtrans-59.4-35.5174.3-76.8-61000112.5E684 A692E684-Y688 HydrophobicContact CB-CE2 4.49Å; E684-Y688 WeakPolarHBondContact O-CD2 3.46Å; E684-Y688 PolarHBondContact O-N 3.42Å; Y688-A692 VanDerWaalsContact O-CB 3.22Å; Y688-A692 WeakPolarHBondContact O-CB 3.34Å; Y688-A692 PolarHBondContact O-N 2.87Å
689F89.4Confident81.7Confident131 Ų13195 Ų9558%0.57549%0.485SS*.Hα-helixtrans-64.6-47.6173.3177.8-95.4000112.1V685 T686 Q687 E691 A692 V693V685-F689 VanDerWaalsContact O-CB 3.3Å; V685-F689 WeakPolarHBondContact O-CB 3.37Å; V685-F689 PolarHBondContact O-N 2.88Å; T686-F689 PolarHBondContact O-N 3.18Å; Q687-F689 VanDerWaalsContact C-N 3.26Å; Q687-F689 PolarHBondContact O-N 3.44Å; F689-E691 VanDerWaalsContact C-N 3.33Å; F689-E691 PolarHBondContact O-N 3.02Å; F689-A692 PolarHBondContact O-N 2.91Å; F689-V693 HydrophobicContact CD1-CG2 4.41Å; F689-V693 HydrophobicContact CE1-CG2 4.03Å; F689-V693 HydrophobicContact CE2-CG2 4.29Å; F689-V693 HydrophobicContact CZ-CG2 3.97Å; F689-V693 WeakPolarHBondContact O-CB 3.48Å; F689-V693 VanDerWaalsContact O-CG2 3.29Å; F689-V693 WeakPolarHBondContact O-CG2 3.47Å; F689-V693 PolarHBondContact O-N 3.47Å
690F85.4Confident83Confident138 Ų13897.9 Ų97.961%0.60549%0.485SS*.Hα-helixtrans-66.2-34.5177.9-76.9-61.3000112.7T686 Q687 V693 S694T686-F690 WeakPolarHBondContact O-CD2 3.41Å; T686-F690 PolarHBondContact O-N 2.97Å; Q687-F690 PolarHBondContact O-N 3.45Å; Q687-F690 VanDerWaalsContact O-N 3.15Å; F690-V693 PolarHBondContact O-N 3.4Å; F690-S694 WeakPolarHBondContact O-CB 3.26Å; F690-S694 PolarHBondContact O-N 2.9Å; F690-S694 PolarHBondContact O-OG 3.49Å
691E88.2Confident83.7Confident104 Ų10498.9 Ų98.949%0.48648%0.483SS..Hα-helixtrans-72.8-37.1176-170167.2-16800112.6Q687 F689 V693 S694 T695Q687-E691 WeakPolarHBondContact O-CB 3.35Å; Q687-E691 PolarHBondContact O-N 2.95Å; F689-E691 VanDerWaalsContact C-N 3.33Å; F689-E691 PolarHBondContact O-N 3.02Å; E691-V693 VanDerWaalsContact C-N 3.34Å; E691-S694 WeakPolarHBondContact CA-OG 3.48Å; E691-S694 PolarHBondContact O-OG 2.76Å; E691-T695 WeakPolarHBondContact O-CB 3.34Å; E691-T695 WeakPolarHBondContact O-CG2 3.44Å; E691-T695 PolarHBondContact O-N 3.04Å; E691-T695 PolarHBondContact O-OG1 3.22Å
692A86.9Confident84.5Confident51 Ų5199.2 Ų99.242%0.42149%0.485SS..Hα-helixtrans-64.5-38.4169.300000111.8Y688 F689 T695 Q696Y688-A692 VanDerWaalsContact O-CB 3.22Å; Y688-A692 WeakPolarHBondContact O-CB 3.34Å; Y688-A692 PolarHBondContact O-N 2.87Å; F689-A692 PolarHBondContact O-N 2.91Å; A692-T695 PolarHBondContact O-OG1 3.47Å; A692-Q696 WeakPolarHBondContact O-CB 3.25Å; A692-Q696 WeakPolarHBondContact O-CG 3.32Å; A692-Q696 PolarHBondContact O-N 2.73Å; A692-Q696 VanDerWaalsContact O-N 3.14Å
693V89.6Confident85.3Confident62 Ų62103.2 Ų103.238%0.37649%0.488SS..Hα-helixtrans-71.6-41.2177169.50000111.9F689 F690 E691 M697F689-V693 HydrophobicContact CD1-CG2 4.41Å; F689-V693 HydrophobicContact CE1-CG2 4.03Å; F689-V693 HydrophobicContact CE2-CG2 4.29Å; F689-V693 HydrophobicContact CZ-CG2 3.97Å; F689-V693 WeakPolarHBondContact O-CB 3.48Å; F689-V693 VanDerWaalsContact O-CG2 3.29Å; F689-V693 WeakPolarHBondContact O-CG2 3.47Å; F689-V693 PolarHBondContact O-N 3.47Å; F690-V693 PolarHBondContact O-N 3.4Å; E691-V693 VanDerWaalsContact C-N 3.34Å; V693-M697 VanDerWaalsContact O-CB 3.24Å; V693-M697 WeakPolarHBondContact O-CB 3.45Å; V693-M697 PolarHBondContact O-N 2.98Å
694S82.8Confident85.7Confident45 Ų45103.4 Ų103.432%0.31548%0.482SS..Hα-helixtrans-64-50.9177.263.30000111.1F690 E691 Q696 M697 E698F690-S694 WeakPolarHBondContact O-CB 3.26Å; F690-S694 PolarHBondContact O-N 2.9Å; F690-S694 PolarHBondContact O-OG 3.49Å; E691-S694 WeakPolarHBondContact CA-OG 3.48Å; E691-S694 PolarHBondContact O-OG 2.76Å; S694-Q696 VanDerWaalsContact C-N 3.34Å; S694-Q696 PolarHBondContact O-N 3.49Å; S694-M697 CarbonylContact O-C 3.55Å; S694-M697 WeakPolarHBondContact O-CA 3.42Å; S694-M697 PolarHBondContact O-N 2.88Å; S694-E698 WeakPolarHBondContact O-CG 3.3Å; S694-E698 PolarHBondContact O-N 3.25Å
695T88.9Confident85.9Confident45 Ų45102.4 Ų102.428%0.27648%0.482SS..Hα-helixtrans-64.3-34.1-179.454.90000113E691 A692 R699E691-T695 WeakPolarHBondContact O-CB 3.34Å; E691-T695 WeakPolarHBondContact O-CG2 3.44Å; E691-T695 PolarHBondContact O-N 3.04Å; E691-T695 PolarHBondContact O-OG1 3.22Å; A692-T695 PolarHBondContact O-OG1 3.47Å; T695-R699 WeakPolarHBondContact O-CB 3.48Å; T695-R699 WeakPolarHBondContact O-CD 3.35Å; T695-R699 WeakPolarHBondContact O-CG 3.42Å; T695-R699 PolarHBondContact O-N 3.27Å
696Q83.1Confident86.2Confident106 Ų106104.5 Ų104.550%0.49549%0.487SS..Hα-helixtrans-68-37.5171-73.5-68.7-8.200112.5A692 S694 W700A692-Q696 WeakPolarHBondContact O-CB 3.25Å; A692-Q696 WeakPolarHBondContact O-CG 3.32Å; A692-Q696 PolarHBondContact O-N 2.73Å; A692-Q696 VanDerWaalsContact O-N 3.14Å; S694-Q696 VanDerWaalsContact C-N 3.34Å; S694-Q696 PolarHBondContact O-N 3.49Å; Q696-W700 WeakPolarHBondContact O-CB 3.25Å; Q696-W700 PolarHBondContact O-N 3.49Å
697M77Confident86.6Confident93 Ų93104.7 Ų104.746%0.45848%0.483SS..Hα-helixtrans-73.1-36.5178.9-175.3151.252.900112.1V693 S694 W700 Y701V693-M697 VanDerWaalsContact O-CB 3.24Å; V693-M697 WeakPolarHBondContact O-CB 3.45Å; V693-M697 PolarHBondContact O-N 2.98Å; S694-M697 CarbonylContact O-C 3.55Å; S694-M697 WeakPolarHBondContact O-CA 3.42Å; S694-M697 PolarHBondContact O-N 2.88Å; M697-W700 WeakPolarHBondContact O-CB 3.43Å; M697-W700 PolarHBondContact O-N 2.89Å; M697-Y701 HydrophobicContact CG-CD2 3.94Å; M697-Y701 HydrophobicContact CG-CE2 3.55Å; M697-Y701 WeakPolarHBondContact O-CD2 3.26Å; M697-Y701 PolarHBondContact O-N 3.02Å; M697-Y701 HydrophobicContact SD-CE2 4.31Å
698E85.5Confident86.5Confident114 Ų114101.6 Ų101.653%0.53348%0.478SS..Hα-helixtrans-60-53.6168.9-73.1170.7168.300111S694 W700 Y701 E702S694-E698 WeakPolarHBondContact O-CG 3.3Å; S694-E698 PolarHBondContact O-N 3.25Å; E698-W700 PolarHBondContact O-N 3.39Å; E698-W700 VanDerWaalsContact O-N 3.09Å; E698-Y701 CarbonylContact O-C 3.59Å; E698-Y701 WeakPolarHBondContact O-CA 3.44Å; E698-Y701 PolarHBondContact O-N 2.86Å; E698-E702 WeakPolarHBondContact O-CG 3.29Å; E698-E702 PolarHBondContact O-N 3.47Å
699R87.7Confident86.5Confident135 Ų135101.9 Ų101.951%0.50948%0.478SS..Hα-helixtrans-58.8-23.4174.6-70.9168-1791671.6113.1T695 R703T695-R699 WeakPolarHBondContact O-CB 3.48Å; T695-R699 WeakPolarHBondContact O-CD 3.35Å; T695-R699 WeakPolarHBondContact O-CG 3.42Å; T695-R699 PolarHBondContact O-N 3.27Å; R699-R703 WeakPolarHBondContact O-CG 3.43Å; R699-R703 PolarHBondContact O-N 3.36Å; R699-R703 PolarHBondContact O-NE 3.39Å
700W90.8Very high86.6Confident134 Ų134103.2 Ų103.251%0.50848%0.479SS..Hα-helixtrans-78.9-44.6172.1-175.494.3000111.7Q696 M697 E698 R703 K704Q696-W700 WeakPolarHBondContact O-CB 3.25Å; Q696-W700 PolarHBondContact O-N 3.49Å; M697-W700 WeakPolarHBondContact O-CB 3.43Å; M697-W700 PolarHBondContact O-N 2.89Å; E698-W700 PolarHBondContact O-N 3.39Å; E698-W700 VanDerWaalsContact O-N 3.09Å; W700-R703 PolarHBondContact O-N 2.89Å; W700-K704 HydrophobicContact CD2-CG 4.13Å; W700-K704 HydrophobicContact CE3-CG 4.17Å; W700-K704 HydrophobicContact CH2-CG 3.96Å; W700-K704 HydrophobicContact CZ2-CD 4.33Å; W700-K704 HydrophobicContact CZ2-CG 3.9Å; W700-K704 HydrophobicContact CZ3-CG 4.08Å; W700-K704 PolarHBondContact O-N 3.29Å
701Y83.3Confident86.7Confident141 Ų141100.1 Ų100.155%0.55347%0.466SS*.Hα-helixtrans-61.3-43.5173.9-78-59.7000112.2M697 E698 R703 K704 V705M697-Y701 HydrophobicContact CG-CD2 3.94Å; M697-Y701 HydrophobicContact CG-CE2 3.55Å; M697-Y701 WeakPolarHBondContact O-CD2 3.26Å; M697-Y701 PolarHBondContact O-N 3.02Å; M697-Y701 HydrophobicContact SD-CE2 4.31Å; E698-Y701 CarbonylContact O-C 3.59Å; E698-Y701 WeakPolarHBondContact O-CA 3.44Å; E698-Y701 PolarHBondContact O-N 2.86Å; Y701-R703 PolarHBondContact O-N 2.82Å; Y701-K704 CarbonylContact O-C 3.6Å; Y701-K704 PolarHBondContact O-N 2.98Å; Y701-V705 WeakPolarHBondContact O-CB 3.23Å; Y701-V705 WeakPolarHBondContact O-CG2 3.45Å; Y701-V705 PolarHBondContact O-N 3.36Å
702E89.3Confident86.3Confident117 Ų11797.6 Ų97.655%0.54746%0.464SS..Hα-helixtrans-57.2-49.6175.1-71.8-172.6129.900111.7E698 K704 V705 Q706E698-E702 WeakPolarHBondContact O-CG 3.29Å; E698-E702 PolarHBondContact O-N 3.47Å; E702-K704 VanDerWaalsContact C-N 3.32Å; E702-K704 PolarHBondContact O-N 3.43Å; E702-V705 PolarHBondContact O-N 2.91Å; E702-Q706 WeakPolarHBondContact O-CB 3.49Å; E702-Q706 VanDerWaalsContact O-CG 3.3Å; E702-Q706 WeakPolarHBondContact O-CG 3.26Å; E702-Q706 PolarHBondContact O-N 3.31Å
703R91Very high86.4Confident140 Ų140100.3 Ų100.353%0.52847%0.471SS..Hα-helixtrans-59.7-40.8175.7-79179-72174.7-3.4111.9R699 W700 Y701 Q706 E707R699-R703 WeakPolarHBondContact O-CG 3.43Å; R699-R703 PolarHBondContact O-N 3.36Å; R699-R703 PolarHBondContact O-NE 3.39Å; W700-R703 PolarHBondContact O-N 2.89Å; Y701-R703 PolarHBondContact O-N 2.82Å; R703-Q706 PolarHBondContact O-N 3.01Å; R703-E707 VanDerWaalsContact O-CB 3.32Å; R703-E707 WeakPolarHBondContact O-CB 3.44Å; R703-E707 PolarHBondContact O-N 3.03Å
704K85.4Confident86.5Confident88 Ų88101.5 Ų101.538%0.38347%0.472SS..Hα-helixtrans-69.9-32.7176.7-75.2-72.3165-160.10113.4W700 Y701 E702 E707 A708W700-K704 HydrophobicContact CD2-CG 4.13Å; W700-K704 HydrophobicContact CE3-CG 4.17Å; W700-K704 HydrophobicContact CH2-CG 3.96Å; W700-K704 HydrophobicContact CZ2-CD 4.33Å; W700-K704 HydrophobicContact CZ2-CG 3.9Å; W700-K704 HydrophobicContact CZ3-CG 4.08Å; W700-K704 PolarHBondContact O-N 3.29Å; Y701-K704 CarbonylContact O-C 3.6Å; Y701-K704 PolarHBondContact O-N 2.98Å; E702-K704 VanDerWaalsContact C-N 3.32Å; E702-K704 PolarHBondContact O-N 3.43Å; K704-E707 WeakPolarHBondContact CD-OE2 3.46Å; K704-E707 WeakPolarHBondContact CE-OE2 3.43Å; K704-E707 IonicContact NZ-OE1 2.77Å; K704-E707 PolarHBondContact NZ-OE1 3.22Å; K704-E707 IonicContact NZ-OE2 3.22Å; K704-E707 PolarHBondContact NZ-OE2 2.94Å; K704-A708 VanDerWaalsContact O-CB 3.3Å; K704-A708 WeakPolarHBondContact O-CB 3.48Å; K704-A708 PolarHBondContact O-N 3.42Å
705V87.2Confident86.6Confident69 Ų69107 Ų10742%0.41849%0.486SS..Hα-helixtrans-69.9-40.6171.8168.70000111Y701 E702 A708 R709Y701-V705 WeakPolarHBondContact O-CB 3.23Å; Y701-V705 WeakPolarHBondContact O-CG2 3.45Å; Y701-V705 PolarHBondContact O-N 3.36Å; E702-V705 PolarHBondContact O-N 2.91Å; V705-A708 PolarHBondContact O-N 3.48Å; V705-R709 WeakPolarHBondContact O-CB 3.31Å; V705-R709 VanDerWaalsContact O-CG 3.23Å; V705-R709 WeakPolarHBondContact O-CG 3.47Å; V705-R709 PolarHBondContact O-N 3.01Å
706Q88.4Confident86.4Confident119 Ų119107.5 Ų107.556%0.55650%0.495SS*.Hα-helixtrans-63.9-44.9173.8-71172.711.700111.6E702 R703 R709 W710E702-Q706 WeakPolarHBondContact O-CB 3.49Å; E702-Q706 VanDerWaalsContact O-CG 3.3Å; E702-Q706 WeakPolarHBondContact O-CG 3.26Å; E702-Q706 PolarHBondContact O-N 3.31Å; R703-Q706 PolarHBondContact O-N 3.01Å; Q706-R709 PolarHBondContact O-N 3.44Å; Q706-W710 WeakPolarHBondContact O-CB 3.48Å; Q706-W710 PolarHBondContact O-N 3.24Å
707E90.1Very high86.8Confident79 Ų79108.1 Ų108.137%0.36950%0.498SS..Hα-helixtrans-60.9-44.4175.3-173-174.115700111.7R703 K704 W710 Q711R703-E707 VanDerWaalsContact O-CB 3.32Å; R703-E707 WeakPolarHBondContact O-CB 3.44Å; R703-E707 PolarHBondContact O-N 3.03Å; K704-E707 WeakPolarHBondContact CD-OE2 3.46Å; K704-E707 WeakPolarHBondContact CE-OE2 3.43Å; K704-E707 IonicContact NZ-OE1 2.77Å; K704-E707 PolarHBondContact NZ-OE1 3.22Å; K704-E707 IonicContact NZ-OE2 3.22Å; K704-E707 PolarHBondContact NZ-OE2 2.94Å; E707-W710 PolarHBondContact O-N 2.95Å; E707-Q711 WeakPolarHBondContact O-CG 3.25Å; E707-Q711 PolarHBondContact O-N 2.59Å
708A82.3Confident87.4Confident58 Ų58106.4 Ų106.448%0.47950%0.498SS..Hα-helixtrans-63.9-40.4175.500000112.6K704 V705 A712K704-A708 VanDerWaalsContact O-CB 3.3Å; K704-A708 WeakPolarHBondContact O-CB 3.48Å; K704-A708 PolarHBondContact O-N 3.42Å; V705-A708 PolarHBondContact O-N 3.48Å; A708-A712 WeakPolarHBondContact O-CB 3.41Å; A708-A712 PolarHBondContact O-N 2.98Å
709R83.9Confident87.5Confident170 Ų170105.9 Ų105.964%0.64250%0.499SS*.Hα-helixtrans-63.9-41.7173.4-74.2170.6-177.5-178.83.7111.7V705 Q706 A712 N713V705-R709 WeakPolarHBondContact O-CB 3.31Å; V705-R709 VanDerWaalsContact O-CG 3.23Å; V705-R709 WeakPolarHBondContact O-CG 3.47Å; V705-R709 PolarHBondContact O-N 3.01Å; Q706-R709 PolarHBondContact O-N 3.44Å; R709-A712 PolarHBondContact O-N 3Å; R709-N713 PolarHBondContact O-N 2.94Å
710W92.3Very high87.6Confident160 Ų160106.5 Ų106.561%0.60651%0.506SS*.Hα-helixtrans-64.2-46.6176.5-179.889.1000111.5Q706 E707 A712 N713 Q714Q706-W710 WeakPolarHBondContact O-CB 3.48Å; Q706-W710 PolarHBondContact O-N 3.24Å; E707-W710 PolarHBondContact O-N 2.95Å; W710-A712 VanDerWaalsContact C-N 3.3Å; W710-A712 PolarHBondContact O-N 3.11Å; W710-N713 PolarHBondContact O-N 3.39Å; W710-Q714 HydrophobicContact CD2-CG 4.05Å; W710-Q714 HydrophobicContact CE3-CG 4.25Å; W710-Q714 HydrophobicContact CH2-CG 4.05Å; W710-Q714 HydrophobicContact CZ2-CG 3.83Å; W710-Q714 HydrophobicContact CZ3-CG 4.25Å; W710-Q714 WeakPolarHBondContact O-CG 3.22Å; W710-Q714 PolarHBondContact O-N 3.5Å
711Q86.1Confident87.7Confident72 Ų72102.6 Ų102.634%0.33650%0.502SS..Hα-helixtrans-61.5-36.7174.5-70.8-17922.600112.5E707 R715E707-Q711 WeakPolarHBondContact O-CG 3.25Å; E707-Q711 PolarHBondContact O-N 2.59Å; Q711-R715 WeakPolarHBondContact O-CG 3.49Å; Q711-R715 PolarHBondContact O-N 3.32Å; Q711-R715 VanDerWaalsContact O-N 3.11Å
712A81.1Confident88.2Confident52 Ų5298.5 Ų98.543%0.4350%0.497SS..Hα-helixtrans-66.9-44.5175.100000112A708 R709 W710 R715 A716A708-A712 WeakPolarHBondContact O-CB 3.41Å; A708-A712 PolarHBondContact O-N 2.98Å; R709-A712 PolarHBondContact O-N 3Å; W710-A712 VanDerWaalsContact C-N 3.3Å; W710-A712 PolarHBondContact O-N 3.11Å; A712-R715 PolarHBondContact O-N 3.12Å; A712-A716 PolarHBondContact O-N 3.27Å
713N89.1Confident88.2Confident107 Ų10798.4 Ų98.457%0.57250%0.5SS*.Hα-helixtrans-63.3-40.5175.1-82.5-0.7000112.3R709 W710 R715 A716 Q717R709-N713 PolarHBondContact O-N 2.94Å; W710-N713 PolarHBondContact O-N 3.39Å; N713-R715 PolarHBondContact O-N 3.23Å; N713-A716 PolarHBondContact O-N 3.11Å; N713-Q717 WeakPolarHBondContact O-CB 3.22Å; N713-Q717 VanDerWaalsContact O-CG 3.32Å; N713-Q717 WeakPolarHBondContact O-CG 3.35Å; N713-Q717 PolarHBondContact O-N 3.16Å
714Q90.5Very high88.3Confident87 Ų8795.7 Ų95.741%0.40750%0.499SS..Hα-helixtrans-61.1-42.4175.4-75.2-66.7-28.200111.9W710 Q717 A718W710-Q714 HydrophobicContact CD2-CG 4.05Å; W710-Q714 HydrophobicContact CE3-CG 4.25Å; W710-Q714 HydrophobicContact CH2-CG 4.05Å; W710-Q714 HydrophobicContact CZ2-CG 3.83Å; W710-Q714 HydrophobicContact CZ3-CG 4.25Å; W710-Q714 WeakPolarHBondContact O-CG 3.22Å; W710-Q714 PolarHBondContact O-N 3.5Å; Q714-Q717 PolarHBondContact O-N 3.18Å; Q714-A718 PolarHBondContact O-N 3.21Å
715R85.8Confident88.7Confident161 Ų16197.8 Ų97.861%0.60851%0.51SS*.Hα-helixtrans-63.6-48.4173.1-71.1176.6-17014311111.7Q711 A712 N713 Q717 A718 D719Q711-R715 WeakPolarHBondContact O-CG 3.49Å; Q711-R715 PolarHBondContact O-N 3.32Å; Q711-R715 VanDerWaalsContact O-N 3.11Å; A712-R715 PolarHBondContact O-N 3.12Å; N713-R715 PolarHBondContact O-N 3.23Å; R715-Q717 PolarHBondContact O-N 3.37Å; R715-A718 PolarHBondContact O-N 2.96Å; R715-D719 WeakPolarHBondContact O-CB 3.28Å; R715-D719 PolarHBondContact O-N 2.78Å
716A85.7Confident88.9Confident56 Ų56100.4 Ų100.446%0.46351%0.512SS..Hα-helixtrans-60.5-32.2177.700000113.2A712 N713 K720A712-A716 PolarHBondContact O-N 3.27Å; N713-A716 PolarHBondContact O-N 3.11Å; A716-K720 VanDerWaalsContact O-CB 3.25Å; A716-K720 WeakPolarHBondContact O-CB 3.36Å; A716-K720 PolarHBondContact O-N 3.43Å
717Q89.8Confident89.1Confident118 Ų11899 Ų9955%0.55151%0.508SS*.Hα-helixtrans-71.3-41.9172.6-75.4175.8-12.300112.2N713 Q714 R715 K720 A721N713-Q717 WeakPolarHBondContact O-CB 3.22Å; N713-Q717 VanDerWaalsContact O-CG 3.32Å; N713-Q717 WeakPolarHBondContact O-CG 3.35Å; N713-Q717 PolarHBondContact O-N 3.16Å; Q714-Q717 PolarHBondContact O-N 3.18Å; R715-Q717 PolarHBondContact O-N 3.37Å; Q717-K720 PolarHBondContact O-N 3.02Å; Q717-A721 WeakPolarHBondContact O-CB 3.45Å; Q717-A721 PolarHBondContact O-N 2.98Å
718A91.1Very high89.3Confident57 Ų5797.5 Ų97.547%0.47151%0.509SS..Hα-helixtrans-64.8-45174.500000112.2Q714 R715 K720 A721 A722Q714-A718 PolarHBondContact O-N 3.21Å; R715-A718 PolarHBondContact O-N 2.96Å; A718-K720 VanDerWaalsContact C-N 3.34Å; A718-K720 PolarHBondContact O-N 2.91Å; A718-A721 PolarHBondContact O-N 3.05Å; A718-A722 WeakPolarHBondContact O-CB 3.45Å; A718-A722 PolarHBondContact O-N 2.75Å
719D87.6Confident89.8Confident103 Ų10399.3 Ų99.355%0.55151%0.51SS*.Hα-helixtrans-61.3-42.6175.8-64-28.4000110.7R715 A722 L723R715-D719 WeakPolarHBondContact O-CB 3.28Å; R715-D719 PolarHBondContact O-N 2.78Å; D719-A722 PolarHBondContact O-N 3.01Å; D719-L723 WeakPolarHBondContact O-CB 3.43Å; D719-L723 WeakPolarHBondContact O-CG 3.47Å; D719-L723 PolarHBondContact O-N 2.84Å
720K88.7Confident90.2Very high148 Ų14894.6 Ų94.664%0.64350%0.498SS*.Hα-helixtrans-62.6-42.2173.3-176.3178179.4-179.10112.1A716 Q717 A718 L723 V724A716-K720 VanDerWaalsContact O-CB 3.25Å; A716-K720 WeakPolarHBondContact O-CB 3.36Å; A716-K720 PolarHBondContact O-N 3.43Å; Q717-K720 PolarHBondContact O-N 3.02Å; A718-K720 VanDerWaalsContact C-N 3.34Å; A718-K720 PolarHBondContact O-N 2.91Å; K720-L723 PolarHBondContact O-N 2.99Å; K720-V724 WeakPolarHBondContact O-CG2 3.46Å; K720-V724 PolarHBondContact O-N 3.43Å
721A93.6Very high90.2Very high53 Ų5392.8 Ų92.844%0.43850%0.496SS..Hα-helixtrans-65.1-42177.800000111.9Q717 A718 V724 Q725Q717-A721 WeakPolarHBondContact O-CB 3.45Å; Q717-A721 PolarHBondContact O-N 2.98Å; A718-A721 PolarHBondContact O-N 3.05Å; A721-V724 PolarHBondContact O-N 2.86Å; A721-Q725 WeakPolarHBondContact O-CG 3.2Å; A721-Q725 PolarHBondContact O-N 2.66Å
722A93.6Very high90.5Very high54 Ų5493.5 Ų93.545%0.44650%0.499SS..Hα-helixtrans-63.9-3917500000112.3A718 D719 Q725 R726A718-A722 WeakPolarHBondContact O-CB 3.45Å; A718-A722 PolarHBondContact O-N 2.75Å; D719-A722 PolarHBondContact O-N 3.01Å; A722-Q725 PolarHBondContact O-N 2.81Å; A722-R726 PolarHBondContact O-N 3.27Å
723L88.1Confident91Very high115 Ų11595.4 Ų95.460%0.60250%0.499SS*.Hα-helixtrans-64.7-43.7173-75169.8000112.2D719 K720 Q725 R726 I727D719-L723 WeakPolarHBondContact O-CB 3.43Å; D719-L723 WeakPolarHBondContact O-CG 3.47Å; D719-L723 PolarHBondContact O-N 2.84Å; K720-L723 PolarHBondContact O-N 2.99Å; L723-Q725 VanDerWaalsContact C-N 3.35Å; L723-Q725 PolarHBondContact O-N 2.99Å; L723-R726 PolarHBondContact O-N 2.87Å; L723-I727 VanDerWaalsContact O-CG1 3.3Å; L723-I727 WeakPolarHBondContact O-CG1 3.43Å; L723-I727 PolarHBondContact O-N 3.25Å
724V94.3Very high90.9Very high84 Ų8494.7 Ų94.751%0.50950%0.495SS..Hα-helixtrans-62.5-41.1175.4169.60000111.3K720 A721 I727 A728K720-V724 WeakPolarHBondContact O-CG2 3.46Å; K720-V724 PolarHBondContact O-N 3.43Å; A721-V724 PolarHBondContact O-N 2.86Å; V724-I727 PolarHBondContact O-N 3.06Å; V724-A728 PolarHBondContact O-N 3.04Å
725Q93.9Very high90.8Very high132 Ų13296.9 Ų96.962%0.61750%0.499SS*.Hα-helixtrans-63.8-40172.9-75-178.8-19.400112.3A721 A722 L723 I727 A728 N729A721-Q725 WeakPolarHBondContact O-CG 3.2Å; A721-Q725 PolarHBondContact O-N 2.66Å; A722-Q725 PolarHBondContact O-N 2.81Å; L723-Q725 VanDerWaalsContact C-N 3.35Å; L723-Q725 PolarHBondContact O-N 2.99Å; Q725-I727 VanDerWaalsContact C-N 3.35Å; Q725-A728 PolarHBondContact O-N 3.13Å; Q725-N729 WeakPolarHBondContact O-CB 3.42Å; Q725-N729 VanDerWaalsContact O-CG 3.25Å; Q725-N729 PolarHBondContact O-N 2.68Å; Q725-N729 PolarHBondContact O-OD1 2.83Å
726R91.9Very high90.9Very high123 Ų12392.8 Ų92.846%0.46449%0.492SS..Hα-helixtrans-67.6-35.7176.6-17456.9-175.6146.33.1112.1A722 L723 L730 E733A722-R726 PolarHBondContact O-N 3.27Å; L723-R726 PolarHBondContact O-N 2.87Å; R726-L730 HydrophobicContact CG-CD1 4.14Å; R726-L730 WeakPolarHBondContact O-CB 3.41Å; R726-L730 WeakPolarHBondContact O-CD1 3.43Å; R726-L730 VanDerWaalsContact O-CG 3.26Å; R726-L730 WeakPolarHBondContact O-CG 3.46Å; R726-L730 PolarHBondContact O-N 2.86Å; R726-E733 IonicContact CZ-OE1 2.69Å; R726-E733 IonicContact NH1-OE1 2.67Å; R726-E733 PolarHBondContact NH1-OE1 2.66Å; R726-E733 IonicContact NH2-OE1 2.88Å; R726-E733 IonicContact NH2-OE2 3.62Å
727I92.3Very high90.6Very high91 Ų9195.2 Ų95.247%0.46750%0.497SS..Hα-helixtrans-63.2-51.7172.8-69.1162.7000110.1L723 V724 Q725 N729 L730 E731L723-I727 VanDerWaalsContact O-CG1 3.3Å; L723-I727 WeakPolarHBondContact O-CG1 3.43Å; L723-I727 PolarHBondContact O-N 3.25Å; V724-I727 PolarHBondContact O-N 3.06Å; Q725-I727 VanDerWaalsContact C-N 3.35Å; I727-N729 VanDerWaalsContact C-N 3.3Å; I727-N729 PolarHBondContact O-N 3.3Å; I727-L730 CarbonylContact O-C 3.55Å; I727-L730 WeakPolarHBondContact O-CA 3.39Å; I727-L730 WeakPolarHBondContact O-CB 3.5Å; I727-L730 PolarHBondContact O-N 3.29Å; I727-E731 HydrophobicContact CG2-CG 4.26Å; I727-E731 WeakPolarHBondContact O-CG 3.46Å; I727-E731 PolarHBondContact O-N 3.18Å
728A93.8Very high90.1Very high47 Ų4797.7 Ų97.739%0.38850%0.501SS..Hα-helixtrans-58.5-39.5178.800000112.8V724 Q725 E731 E732V724-A728 PolarHBondContact O-N 3.04Å; Q725-A728 PolarHBondContact O-N 3.13Å; A728-E731 PolarHBondContact O-N 3.36Å; A728-E732 PolarHBondContact O-N 2.74Å
729N93.6Very high89.5Confident95 Ų9598.1 Ų98.151%0.50850%0.498SS..Hα-helixtrans-65.2-40.5174.2-69.86.5000112Q725 I727 E732 E733Q725-N729 WeakPolarHBondContact O-CB 3.42Å; Q725-N729 VanDerWaalsContact O-CG 3.25Å; Q725-N729 PolarHBondContact O-N 2.68Å; Q725-N729 PolarHBondContact O-OD1 2.83Å; I727-N729 VanDerWaalsContact C-N 3.3Å; I727-N729 PolarHBondContact O-N 3.3Å; N729-E732 PolarHBondContact O-N 3.25Å; N729-E733 WeakPolarHBondContact O-CB 3.48Å; N729-E733 VanDerWaalsContact O-CG 3.26Å; N729-E733 WeakPolarHBondContact O-CG 3.46Å; N729-E733 PolarHBondContact O-N 3.35Å
730L91.1Very high88.3Confident71 Ų7195.4 Ų95.437%0.37249%0.487SS..Hα-helixtrans-68.1-33.8175.4-74.3166.1000112.4R726 I727 L734R726-L730 HydrophobicContact CG-CD1 4.14Å; R726-L730 WeakPolarHBondContact O-CB 3.41Å; R726-L730 WeakPolarHBondContact O-CD1 3.43Å; R726-L730 VanDerWaalsContact O-CG 3.26Å; R726-L730 WeakPolarHBondContact O-CG 3.46Å; R726-L730 PolarHBondContact O-N 2.86Å; I727-L730 CarbonylContact O-C 3.55Å; I727-L730 WeakPolarHBondContact O-CA 3.39Å; I727-L730 WeakPolarHBondContact O-CB 3.5Å; I727-L730 PolarHBondContact O-N 3.29Å; L730-L734 VanDerWaalsContact O-CB 3.31Å; L730-L734 WeakPolarHBondContact O-CB 3.5Å; L730-L734 VanDerWaalsContact O-CG 3.23Å; L730-L734 WeakPolarHBondContact O-CG 3.17Å; L730-L734 PolarHBondContact O-N 3.2Å
731E92.4Very high86.9Confident123 Ų12397.3 Ų97.358%0.57549%0.49SS*.Hα-helixtrans-66.9-38.6173.9-72.4174.2156.600111.5I727 A728 L734 R735I727-E731 HydrophobicContact CG2-CG 4.26Å; I727-E731 WeakPolarHBondContact O-CG 3.46Å; I727-E731 PolarHBondContact O-N 3.18Å; A728-E731 PolarHBondContact O-N 3.36Å; E731-L734 PolarHBondContact O-N 3.5Å; E731-R735 WeakPolarHBondContact O-CB 3.5Å; E731-R735 PolarHBondContact O-N 2.04Å
732E92.6Very high85.1Confident87 Ų87102 Ų10241%0.40750%0.503SS..Hα-helixtrans-73.1-40.5174-173.961.4-167.400112.3A728 N729 L734 R735 V736A728-E732 PolarHBondContact O-N 2.74Å; N729-E732 PolarHBondContact O-N 3.25Å; E732-L734 VanDerWaalsContact C-N 3.28Å; E732-L734 PolarHBondContact O-N 3.04Å; E732-R735 WeakPolarHBondContact O-CB 3.47Å; E732-R735 PolarHBondContact O-N 2.89Å; E732-R735 IonicContact OE1-CZ 3.4Å; E732-R735 IonicContact OE1-NE 3.3Å; E732-R735 PolarHBondContact OE1-NE 2.71Å; E732-R735 IonicContact OE1-NH2 2.68Å; E732-R735 PolarHBondContact OE1-NH2 3.01Å; E732-R735 IonicContact OE2-CZ 2.75Å; E732-R735 IonicContact OE2-NE 2.66Å; E732-R735 PolarHBondContact OE2-NE 3.28Å; E732-R735 IonicContact OE2-NH2 2.66Å; E732-V736 WeakPolarHBondContact O-CG2 3.35Å; E732-V736 PolarHBondContact O-N 2.98Å
733E92.1Very high83.2Confident92 Ų92105.9 Ų105.943%0.4352%0.516SS..Hα-helixtrans-54.6-45.5169-74.5168.7-142.800110.1R726 N729 L737R726-E733 IonicContact CZ-OE1 2.69Å; R726-E733 IonicContact NH1-OE1 2.67Å; R726-E733 PolarHBondContact NH1-OE1 2.66Å; R726-E733 IonicContact NH2-OE1 2.88Å; R726-E733 IonicContact NH2-OE2 3.62Å; N729-E733 WeakPolarHBondContact O-CB 3.48Å; N729-E733 VanDerWaalsContact O-CG 3.26Å; N729-E733 WeakPolarHBondContact O-CG 3.46Å; N729-E733 PolarHBondContact O-N 3.35Å; E733-L737 WeakPolarHBondContact O-CB 3.47Å; E733-L737 VanDerWaalsContact O-CG 3.26Å; E733-L737 WeakPolarHBondContact O-CG 3.39Å; E733-L737 PolarHBondContact O-N 2.96Å
734L86.7Confident81.3Confident91 Ų91106.8 Ų106.848%0.47652%0.521SS..Hα-helixtrans-67.6-31174.3-76.3169000113.6L730 E731 E732 R738L730-L734 VanDerWaalsContact O-CB 3.31Å; L730-L734 WeakPolarHBondContact O-CB 3.5Å; L730-L734 VanDerWaalsContact O-CG 3.23Å; L730-L734 WeakPolarHBondContact O-CG 3.17Å; L730-L734 PolarHBondContact O-N 3.2Å; E731-L734 PolarHBondContact O-N 3.5Å; E732-L734 VanDerWaalsContact C-N 3.28Å; E732-L734 PolarHBondContact O-N 3.04Å; L734-R738 WeakPolarHBondContact O-CB 3.05Å; L734-R738 WeakPolarHBondContact O-CD 3.11Å; L734-R738 WeakPolarHBondContact O-CG 3.45Å; L734-R738 PolarHBondContact O-N 2.82Å; L734-R738 VanDerWaalsContact O-N 3.11Å
735R88.9Confident78.8Confident133 Ų133115.7 Ų115.750%0.50255%0.548SS..Hα-helixtrans-69.2-45.2176-163.2-178.172.180.74.3110.8E731 E732 R738 T739E731-R735 WeakPolarHBondContact O-CB 3.5Å; E731-R735 PolarHBondContact O-N 2.04Å; E732-R735 WeakPolarHBondContact O-CB 3.47Å; E732-R735 PolarHBondContact O-N 2.89Å; E732-R735 IonicContact OE1-CZ 3.4Å; E732-R735 IonicContact OE1-NE 3.3Å; E732-R735 PolarHBondContact OE1-NE 2.71Å; E732-R735 IonicContact OE1-NH2 2.68Å; E732-R735 PolarHBondContact OE1-NH2 3.01Å; E732-R735 IonicContact OE2-CZ 2.75Å; E732-R735 IonicContact OE2-NE 2.66Å; E732-R735 PolarHBondContact OE2-NE 3.28Å; E732-R735 IonicContact OE2-NH2 2.66Å; R735-R738 WeakPolarHBondContact O-CB 3.48Å; R735-R738 PolarHBondContact O-N 3Å; R735-R738 VanDerWaalsContact O-N 3.16Å; R735-T739 PolarHBondContact O-N 2.81Å; R735-T739 PolarHBondContact O-OG1 3.03Å
736V86.2Confident78.1Confident76 Ų76114.9 Ų114.946%0.46154%0.544SS..Hα-helixtrans-63.2-43.9175.8173.50000111.3E732 R738 T739 S740E732-V736 WeakPolarHBondContact O-CG2 3.35Å; E732-V736 PolarHBondContact O-N 2.98Å; V736-R738 PolarHBondContact O-N 3.01Å; V736-T739 PolarHBondContact O-N 3.12Å; V736-T739 PolarHBondContact O-OG1 2.84Å; V736-S740 PolarHBondContact O-N 3.3Å; V736-S740 PolarHBondContact O-OG 3.2Å
737L79.4Confident77.3Confident106 Ų106114.4 Ų114.456%0.55555%0.549SS*.Hα-helixtrans-66.4-19.1175.2-71.6169.7000113.9E733 R741E733-L737 WeakPolarHBondContact O-CB 3.47Å; E733-L737 VanDerWaalsContact O-CG 3.26Å; E733-L737 WeakPolarHBondContact O-CG 3.39Å; E733-L737 PolarHBondContact O-N 2.96Å; L737-R741 WeakPolarHBondContact O-CG 3.47Å
738R81.1Confident76.5Confident170 Ų170115.7 Ų115.764%0.64255%0.553SS**Hα-helixtrans-84-39.7171.1-76.3167.7-177.9175.72.1111.8L734 R735 V736 H742L734-R738 WeakPolarHBondContact O-CB 3.05Å; L734-R738 WeakPolarHBondContact O-CD 3.11Å; L734-R738 WeakPolarHBondContact O-CG 3.45Å; L734-R738 PolarHBondContact O-N 2.82Å; L734-R738 VanDerWaalsContact O-N 3.11Å; R735-R738 WeakPolarHBondContact O-CB 3.48Å; R735-R738 PolarHBondContact O-N 3Å; R735-R738 VanDerWaalsContact O-N 3.16Å; V736-R738 PolarHBondContact O-N 3.01Å; R738-H742 PolarHBondContact O-ND1 2.83Å
739T76.8Confident75.5Confident66 Ų66119.8 Ų119.841%0.40556%0.563SS.*Hα-helixtrans-69.9-45178.151.10000111.9R735 V736 R741 H742 D743R735-T739 PolarHBondContact O-N 2.81Å; R735-T739 PolarHBondContact O-OG1 3.03Å; V736-T739 PolarHBondContact O-N 3.12Å; V736-T739 PolarHBondContact O-OG1 2.84Å; T739-R741 PolarHBondContact O-N 3.03Å; T739-H742 WeakPolarHBondContact O-CA 3.4Å; T739-H742 WeakPolarHBondContact O-CB 3.46Å; T739-H742 PolarHBondContact O-N 3.47Å; T739-D743 PolarHBondContact O-N 2.93Å
740S63.8Low74.4Confident46 Ų46121.3 Ų121.332%0.32257%0.566SS.*Hα-helixtrans-58.9-35.4178.167.70000112.2V736 H742 D743 D744V736-S740 PolarHBondContact O-N 3.3Å; V736-S740 PolarHBondContact O-OG 3.2Å; S740-H742 PolarHBondContact O-N 3.13Å; S740-D743 PolarHBondContact O-N 3.12Å; S740-D743 VanDerWaalsContact O-N 3.12Å; S740-D744 PolarHBondContact O-N 3.03Å
741R58.6Low73.2Confident188 Ų188124.7 Ų124.771%0.70958%0.579SS**Hα-helixtrans-68.5-7.7173-86.1-175166.2-161.4-2.7115.6L737 T739 Y745L737-R741 WeakPolarHBondContact O-CG 3.47Å; T739-R741 PolarHBondContact O-N 3.03Å; R741-Y745 WeakPolarHBondContact O-CD2 3.4Å
742H55.9Low71.9Confident152 Ų152124.8 Ų124.870%0.70458%0.579SS**Hα-helixtrans-101.7-17.2169.7-71.172.7000112.2R738 T739 S740 D744R738-H742 PolarHBondContact O-ND1 2.83Å; T739-H742 WeakPolarHBondContact O-CA 3.4Å; T739-H742 WeakPolarHBondContact O-CB 3.46Å; T739-H742 PolarHBondContact O-N 3.47Å; S740-H742 PolarHBondContact O-N 3.13Å; H742-D744 VanDerWaalsContact C-N 3.33Å
743D52.9Low70.3Confident135 Ų135127.7 Ų127.772%0.72259%0.593SS**Hα-helixtrans-82.4-13.3173.5-56.7-49.5000112.3T739 S740T739-D743 PolarHBondContact O-N 2.93Å; S740-D743 PolarHBondContact O-N 3.12Å; S740-D743 VanDerWaalsContact O-N 3.12Å
744D48.8Very low68.5Low134 Ų134130.7 Ų130.772%0.71761%0.606SS**THydrogen-bonded Turntrans-93.614.3-179.6-76.1-34.4000114.8S740 H742S740-D744 PolarHBondContact O-N 3.03Å; H742-D744 VanDerWaalsContact C-N 3.33Å
745Y42.4Very low66.8Low271 Ų271134.3 Ų134.3100%1.06362%0.618SS**  trans-128.90-174-89.5-71.7000115.4R741R741-Y745 WeakPolarHBondContact O-CD2 3.4Å

Retrieved 745 of 745 residues in 670.4 ms (Link to these results)

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