A0A077ZGX2_TRITR Loading...

Intraflagellar transport protein 172

AlphaFold DB , UniProt , Accession A0A077ZGX2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 867 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
1M64.2Low79.9Confident140 Ų14067.2 Ų67.269%0.6936%0.364SS*.  0-60.80-64.5-62.6-142.500112.1K3 A4 L5 L24M1-K3 PolarHBondContact O-N 2.94Å; M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 VanDerWaalsContact O-CB 3.27Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 2.73Å; M1-L24 HydrophobicContact CB-CD2 3.61Å; M1-L24 HydrophobicContact CB-CG 4.21Å
2G70.4Confident80.3Confident9 Ų973.4 Ų73.49%0.09339%0.389CS..Hα-helixtrans-51.6-49.6-178.500000116.6A4 L5 E6 Y30G2-A4 PolarHBondContact O-N 3.23Å; G2-L5 WeakPolarHBondContact O-CB 3.36Å; G2-L5 PolarHBondContact O-N 3.11Å; G2-L5 VanDerWaalsContact O-N 3.14Å; G2-E6 PolarHBondContact O-N 3.21Å; G2-E6 VanDerWaalsContact O-N 3.08Å; G2-Y30 VanDerWaalsContact CA-CZ 3.48Å; G2-Y30 WeakPolarHBondContact CA-OH 3.27Å
3K78.3Confident80.9Confident179 Ų17974.5 Ų74.578%0.77839%0.39SS*.Hα-helixtrans-62.8-26.9174.5-68.7-174.8177.3-177.70113.8M1 A7M1-K3 PolarHBondContact O-N 2.94Å; K3-A7 WeakPolarHBondContact O-CB 3.33Å; K3-A7 PolarHBondContact O-N 3.37Å
4A80.5Confident81.2Confident46 Ų4673 Ų7338%0.3838%0.377SS..Hα-helixtrans-75-35.6176.500000111.1M1 G2 A8 I20M1-A4 WeakPolarHBondContact O-CA 3.44Å; M1-A4 VanDerWaalsContact O-CB 3.27Å; M1-A4 WeakPolarHBondContact O-CB 3.25Å; M1-A4 PolarHBondContact O-N 3.09Å; G2-A4 PolarHBondContact O-N 3.23Å; A4-A8 VanDerWaalsContact O-CB 3.26Å; A4-A8 WeakPolarHBondContact O-CB 3.41Å; A4-A8 PolarHBondContact O-N 3.24Å; A4-I20 HydrophobicContact CB-CD1 4.3Å
5L80.8Confident81.3Confident0 Ų075.2 Ų75.20%039%0.385CS..Hα-helixtrans-62.7-48171.5-173.869.6000110.7M1 G2 A7 A8 V9 A17 I20 L24 Y30 Q33 F34 I37M1-L5 PolarHBondContact O-N 2.73Å; G2-L5 WeakPolarHBondContact O-CB 3.36Å; G2-L5 PolarHBondContact O-N 3.11Å; G2-L5 VanDerWaalsContact O-N 3.14Å; L5-A7 PolarHBondContact O-N 3.45Å; L5-A8 PolarHBondContact O-N 3.1Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.44Å; L5-A17 HydrophobicContact CD1-CB 4.35Å; L5-A17 VanDerWaalsContact CD1-O 3.29Å; L5-A17 WeakPolarHBondContact CD1-O 3.37Å; L5-I20 HydrophobicContact CB-CG2 3.93Å; L5-I20 HydrophobicContact CD1-CB 4.18Å; L5-I20 HydrophobicContact CD1-CG2 4.03Å; L5-L24 HydrophobicContact CB-CD1 4.34Å; L5-L24 HydrophobicContact CD2-CD1 3.97Å; L5-Y30 HydrophobicContact CD2-CG 4.22Å; L5-Q33 HydrophobicContact CD2-CB 3.91Å; L5-Q33 HydrophobicContact CG-CB 4.22Å; L5-F34 HydrophobicContact CD2-CE2 4.3Å; L5-I37 HydrophobicContact CD1-CD1 3.83Å
6E80.9Confident81.5Confident75 Ų7578 Ų7835%0.3539%0.393SS..Hα-helixtrans-57.3-47.4175.7-76.9174.2174.700112.3G2 A8 V9 Q10 Q33G2-E6 PolarHBondContact O-N 3.21Å; G2-E6 VanDerWaalsContact O-N 3.08Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 2.93Å; E6-V9 PolarHBondContact O-N 3.49Å; E6-Q10 WeakPolarHBondContact O-CB 3.42Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.46Å; E6-Q10 PolarHBondContact O-N 2.94Å; E6-Q33 HydrophobicContact CG-CG 4.05Å; E6-Q33 VanDerWaalsContact CG-NE2 3.27Å; E6-Q33 PolarHBondContact OE1-NE2 2.89Å
7A84.4Confident81.7Confident51 Ų5173.4 Ų73.442%0.42137%0.37SS..Hα-helixtrans-64.5-37.2177.200000112.5K3 L5 S11K3-A7 WeakPolarHBondContact O-CB 3.33Å; K3-A7 PolarHBondContact O-N 3.37Å; L5-A7 PolarHBondContact O-N 3.45Å; A7-S11 VanDerWaalsContact O-CB 3.28Å; A7-S11 WeakPolarHBondContact O-CB 3.35Å; A7-S11 PolarHBondContact O-N 3.09Å; A7-S11 PolarHBondContact O-OG 3.42Å
8A84.5Confident81.8Confident6 Ų669.9 Ų69.95%0.0535%0.353CS..Hα-helixtrans-67.7-41.3177.900000112.2A4 L5 E6 S11 Q12 Q13 A17 I20A4-A8 VanDerWaalsContact O-CB 3.26Å; A4-A8 WeakPolarHBondContact O-CB 3.41Å; A4-A8 PolarHBondContact O-N 3.24Å; L5-A8 PolarHBondContact O-N 3.1Å; E6-A8 VanDerWaalsContact C-N 3.34Å; E6-A8 PolarHBondContact O-N 2.93Å; A8-S11 WeakPolarHBondContact CA-OG 3.34Å; A8-S11 CarbonylContact O-C 3.6Å; A8-S11 PolarHBondContact O-N 3.11Å; A8-S11 PolarHBondContact O-OG 3.14Å; A8-Q12 PolarHBondContact O-N 3.09Å; A8-Q13 PolarHBondContact O-N 2.89Å; A8-A17 HydrophobicContact CB-CB 3.94Å; A8-I20 HydrophobicContact CB-CD1 4.14Å
9V85Confident82Confident7 Ų770.5 Ų70.54%0.04236%0.357CS..Hα-helixtrans-67.6-44.8175.3174.40000110.8L5 E6 S11 Q12 W14 A17 Q33 Q36 I37L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.44Å; E6-V9 PolarHBondContact O-N 3.49Å; V9-S11 VanDerWaalsContact C-N 3.26Å; V9-S11 PolarHBondContact O-N 2.93Å; V9-Q12 PolarHBondContact O-N 3.34Å; V9-W14 HydrophobicContact CG1-CH2 4.46Å; V9-W14 HydrophobicContact CG1-CZ3 4.18Å; V9-A17 HydrophobicContact CG2-CB 4.04Å; V9-Q33 HydrophobicContact CG2-CB 4.34Å; V9-Q36 HydrophobicContact CG1-CB 4.11Å; V9-I37 HydrophobicContact CG2-CD1 3.87Å; V9-I37 HydrophobicContact CG2-CG1 3.78Å
10Q85.1Confident82Confident165 Ų16568.8 Ų68.877%0.77135%0.348SS*.Hα-helixtrans-62.8-32176.1-75177.30.500113.1E6 Q12E6-Q10 WeakPolarHBondContact O-CB 3.42Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.46Å; E6-Q10 PolarHBondContact O-N 2.94Å; Q10-Q12 VanDerWaalsContact C-N 3.3Å
11S85.3Confident81.9Confident61 Ų6165.8 Ų65.843%0.42733%0.334SS..THydrogen-bonded Turntrans-88.17.4175.658.40000113.9A7 A8 V9 Q13A7-S11 VanDerWaalsContact O-CB 3.28Å; A7-S11 WeakPolarHBondContact O-CB 3.35Å; A7-S11 PolarHBondContact O-N 3.09Å; A7-S11 PolarHBondContact O-OG 3.42Å; A8-S11 WeakPolarHBondContact CA-OG 3.34Å; A8-S11 CarbonylContact O-C 3.6Å; A8-S11 PolarHBondContact O-N 3.11Å; A8-S11 PolarHBondContact O-OG 3.14Å; V9-S11 VanDerWaalsContact C-N 3.26Å; V9-S11 PolarHBondContact O-N 2.93Å; S11-Q13 PolarHBondContact O-N 3.01Å; S11-Q13 VanDerWaalsContact O-N 3.11Å
12Q84.5Confident82.6Confident142 Ų14265.7 Ų65.766%0.66433%0.332SS*.THydrogen-bonded Turntrans53.928-179.2-59.2-177.4-11.800113.7A8 V9 Q10 W14A8-Q12 PolarHBondContact O-N 3.09Å; V9-Q12 PolarHBondContact O-N 3.34Å; Q10-Q12 VanDerWaalsContact C-N 3.3Å; Q12-W14 VanDerWaalsContact C-N 3.29Å; Q12-W14 HydrophobicContact CB-CZ2 4.23Å; Q12-W14 HydrophobicContact CG-CZ2 4.1Å; Q12-W14 PolarHBondContact O-N 3.43Å; Q12-W14 VanDerWaalsContact O-N 3.11Å; Q12-W14 PolarHBondContact O-NE1 3.14Å
13Q87.3Confident83.1Confident87 Ų8769.2 Ų69.241%0.40735%0.351SS..  trans-88.168.3176.5-65.3-172.89.700109.9A8 S11 Q15 K16 A17A8-Q13 PolarHBondContact O-N 2.89Å; S11-Q13 PolarHBondContact O-N 3.01Å; S11-Q13 VanDerWaalsContact O-N 3.11Å; Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 3.11Å; Q13-K16 HydrophobicContact CB-CB 4.37Å; Q13-K16 PolarHBondContact O-N 2.96Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; Q13-K16 VanDerWaalsContact OE1-CD 3.29Å; Q13-A17 PolarHBondContact O-N 2.86Å
14W85.2Confident82.8Confident54 Ų5462.1 Ų62.121%0.20532%0.322CS..Hα-helixtrans-58.8-37.9-168.7-55.2110.8000114.8V9 Q12 A17 L18 Q36 I37 H40V9-W14 HydrophobicContact CG1-CH2 4.46Å; V9-W14 HydrophobicContact CG1-CZ3 4.18Å; Q12-W14 VanDerWaalsContact C-N 3.29Å; Q12-W14 HydrophobicContact CB-CZ2 4.23Å; Q12-W14 HydrophobicContact CG-CZ2 4.1Å; Q12-W14 PolarHBondContact O-N 3.43Å; Q12-W14 VanDerWaalsContact O-N 3.11Å; Q12-W14 PolarHBondContact O-NE1 3.14Å; W14-A17 PolarHBondContact O-N 3.27Å; W14-L18 WeakPolarHBondContact O-CB 3.45Å; W14-L18 PolarHBondContact O-N 3.4Å; W14-Q36 HydrophobicContact CZ3-CB 4.49Å; W14-I37 HydrophobicContact CE3-CG1 4.37Å; W14-I37 HydrophobicContact CZ3-CG1 4.43Å; W14-H40 AromaticContact CD1-CD2 3.29Å; W14-H40 AromaticContact CD1-CE1 3.68Å; W14-H40 AromaticContact CD1-CG 3.96Å; W14-H40 AromaticContact CD1-NE2 3.07Å; W14-H40 HydrophobicContact CD2-CB 4.03Å; W14-H40 AromaticContact CD2-CD2 3.46Å; W14-H40 VanDerWaalsContact CD2-CD2 3.46Å; W14-H40 AromaticContact CD2-CG 3.67Å; W14-H40 AromaticContact CE2-CD2 3.79Å; W14-H40 AromaticContact CE2-CG 3.7Å; W14-H40 AromaticContact CE2-ND1 3.96Å; W14-H40 HydrophobicContact CE3-CB 4.01Å; W14-H40 AromaticContact CG-CD2 3.13Å; W14-H40 AromaticContact CG-CG 3.85Å; W14-H40 AromaticContact CG-NE2 3.46Å; W14-H40 HydrophobicContact CH2-CB 4.39Å; W14-H40 HydrophobicContact CZ2-CB 4.4Å; W14-H40 HydrophobicContact CZ3-CB 4.19Å; W14-H40 AromaticContact NE1-CD2 3.66Å; W14-H40 AromaticContact NE1-CE1 3.59Å; W14-H40 AromaticContact NE1-CG 3.86Å; W14-H40 AromaticContact NE1-ND1 3.83Å; W14-H40 AromaticContact NE1-NE2 3.47Å; W14-H40 PolarHBondContact NE1-NE2 3.18Å
15Q83.6Confident82.1Confident106 Ų10667.7 Ų67.750%0.49535%0.345SS..Hα-helixtrans-66.4-42.3178-168.163.232.200111.7Q13 L18 D19Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 3.11Å; Q15-L18 WeakPolarHBondContact O-CB 3.25Å; Q15-L18 PolarHBondContact O-N 2.93Å; Q15-D19 VanDerWaalsContact O-CG 3.25Å; Q15-D19 PolarHBondContact O-N 3.5Å
16K83.8Confident81.3Confident120 Ų12072.6 Ų72.652%0.52237%0.372SS..Hα-helixtrans-69.9-36175.4-66.4-174.3-165.9163.10111.7Q13 L18 D19 I20Q13-K16 HydrophobicContact CB-CB 4.37Å; Q13-K16 PolarHBondContact O-N 2.96Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; Q13-K16 VanDerWaalsContact OE1-CD 3.29Å; K16-L18 VanDerWaalsContact C-N 3.28Å; K16-L18 PolarHBondContact O-N 3.24Å; K16-D19 PolarHBondContact O-N 2.94Å; K16-I20 WeakPolarHBondContact O-CB 3.42Å; K16-I20 WeakPolarHBondContact O-CD1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å; K16-I20 PolarHBondContact O-N 2.88Å
17A84.4Confident80.4Confident0 Ų069.4 Ų69.40%036%0.358CS..Hα-helixtrans-61.6-39.717400000111L5 A8 V9 Q13 W14 S21 I37L5-A17 HydrophobicContact CD1-CB 4.35Å; L5-A17 VanDerWaalsContact CD1-O 3.29Å; L5-A17 WeakPolarHBondContact CD1-O 3.37Å; A8-A17 HydrophobicContact CB-CB 3.94Å; V9-A17 HydrophobicContact CG2-CB 4.04Å; Q13-A17 PolarHBondContact O-N 2.86Å; W14-A17 PolarHBondContact O-N 3.27Å; A17-S21 VanDerWaalsContact O-CB 3.31Å; A17-S21 WeakPolarHBondContact O-CB 3.37Å; A17-S21 PolarHBondContact O-N 3.01Å; A17-I37 HydrophobicContact CB-CD1 3.79Å; A17-I37 HydrophobicContact CB-CG1 4.03Å
18L84.8Confident79.5Confident11 Ų1171.7 Ų71.76%0.05837%0.369CS..Hα-helixtrans-62.4-50.5173.3-176.870.1000111.6W14 Q15 K16 I20 S21 Q22 M41 I49 L53W14-L18 WeakPolarHBondContact O-CB 3.45Å; W14-L18 PolarHBondContact O-N 3.4Å; Q15-L18 WeakPolarHBondContact O-CB 3.25Å; Q15-L18 PolarHBondContact O-N 2.93Å; K16-L18 VanDerWaalsContact C-N 3.28Å; K16-L18 PolarHBondContact O-N 3.24Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.26Å; L18-S21 WeakPolarHBondContact CA-OG 3.42Å; L18-S21 WeakPolarHBondContact O-CB 3.27Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 VanDerWaalsContact O-N 3.08Å; L18-S21 PolarHBondContact O-OG 3.04Å; L18-Q22 PolarHBondContact O-N 3.35Å; L18-Q22 VanDerWaalsContact O-N 3.09Å; L18-M41 HydrophobicContact CB-CE 4.06Å; L18-M41 HydrophobicContact CD1-CE 4.37Å; L18-M41 HydrophobicContact CD2-CE 3.89Å; L18-M41 HydrophobicContact CG-CE 4.33Å; L18-I49 HydrophobicContact CD1-CG2 3.58Å; L18-I49 HydrophobicContact CD2-CG2 4.29Å; L18-L53 HydrophobicContact CD1-CD1 4.08Å; L18-L53 HydrophobicContact CD1-CD2 4.4Å
19D84.4Confident79Confident81 Ų8177.7 Ų77.743%0.43340%0.4SS..Hα-helixtrans-60-41.3179.7-61.8-21000111.4Q15 K16 Q22Q15-D19 VanDerWaalsContact O-CG 3.25Å; Q15-D19 PolarHBondContact O-N 3.5Å; K16-D19 PolarHBondContact O-N 2.94Å; D19-Q22 PolarHBondContact O-N 3.26Å
20I82.4Confident78.6Confident35 Ų3580 Ų8018%0.17941%0.409CS..Hα-helixtrans-65.9-40.6175.5-65.1163.6000110.8A4 L5 A8 K16 L18 Q22 T23 L24A4-I20 HydrophobicContact CB-CD1 4.3Å; L5-I20 HydrophobicContact CB-CG2 3.93Å; L5-I20 HydrophobicContact CD1-CB 4.18Å; L5-I20 HydrophobicContact CD1-CG2 4.03Å; A8-I20 HydrophobicContact CB-CD1 4.14Å; K16-I20 WeakPolarHBondContact O-CB 3.42Å; K16-I20 WeakPolarHBondContact O-CD1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.45Å; K16-I20 PolarHBondContact O-N 2.88Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.26Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 3.01Å; I20-T23 PolarHBondContact O-N 3.38Å; I20-T23 PolarHBondContact O-OG1 2.87Å; I20-L24 HydrophobicContact CG2-CD1 3.99Å
21S79.1Confident78.4Confident6 Ų673.4 Ų73.44%0.04238%0.382CS..Hα-helixtrans-62.6-35.2-179.5760000112.9A17 L18 T23 L24A17-S21 VanDerWaalsContact O-CB 3.31Å; A17-S21 WeakPolarHBondContact O-CB 3.37Å; A17-S21 PolarHBondContact O-N 3.01Å; L18-S21 WeakPolarHBondContact CA-OG 3.42Å; L18-S21 WeakPolarHBondContact O-CB 3.27Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S21 VanDerWaalsContact O-N 3.08Å; L18-S21 PolarHBondContact O-OG 3.04Å; S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.27Å; S21-L24 PolarHBondContact O-N 2.89Å
22Q79.7Confident78.3Confident139 Ų13974 Ų7465%0.6539%0.386SS*.Hα-helixtrans-70.3-21.8178.1-69.2177.81.200113.2L18 D19 I20L18-Q22 PolarHBondContact O-N 3.35Å; L18-Q22 VanDerWaalsContact O-N 3.09Å; D19-Q22 PolarHBondContact O-N 3.26Å; I20-Q22 VanDerWaalsContact C-N 3.3Å; I20-Q22 PolarHBondContact O-N 3.01Å
23T80.4Confident78.3Confident82 Ų8268.6 Ų68.650%0.50336%0.361SS..THydrogen-bonded Turntrans-90.7-1.9178.561.90000114I20 S21I20-T23 PolarHBondContact O-N 3.38Å; I20-T23 PolarHBondContact O-OG1 2.87Å; S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.27Å
24L73.7Confident78.2Confident30 Ų3064.7 Ų64.716%0.15734%0.343CS..  trans-105.3110.5-175.7-81.9165000110.9M1 L5 I20 S21 N26 Y30M1-L24 HydrophobicContact CB-CD2 3.61Å; M1-L24 HydrophobicContact CB-CG 4.21Å; L5-L24 HydrophobicContact CB-CD1 4.34Å; L5-L24 HydrophobicContact CD2-CD1 3.97Å; I20-L24 HydrophobicContact CG2-CD1 3.99Å; S21-L24 PolarHBondContact O-N 2.89Å; L24-N26 PolarHBondContact O-N 3.44Å; L24-Y30 HydrophobicContact CD2-CE2 4.32Å
25D64.8Low78.2Confident163 Ų16362.6 Ų62.687%0.87234%0.336SS*.SBendtrans-70.7-13178.2-66.5-33.9000114.1
26N64.6Low78.3Confident104 Ų10461.6 Ų61.656%0.55633%0.331SS*.  trans-107.566-173.8-69.1-34.5000112.7L24 P28L24-N26 PolarHBondContact O-N 3.44Å; N26-P28 VanDerWaalsContact C-CD 3.41Å
27G61.7Low78.5Confident7 Ų755.9 Ų55.97%0.07231%0.307CS..G310 helixtrans-51.5-41.2176.500000116.5N29 Y30 A56G27-N29 PolarHBondContact O-N 3Å; G27-Y30 PolarHBondContact O-N 3.43Å; G27-A56 CarbonylContact C-O 3.56Å; G27-A56 WeakPolarHBondContact CA-O 3.49Å
28P65.4Low78.6Confident100 Ų10055.9 Ų55.965%0.64931%0.307SS*.G310 helixtrans-66.3-33.2-174.5-22.932.5000114.9N26 Y30 A31N26-P28 VanDerWaalsContact C-CD 3.41Å; P28-Y30 PolarHBondContact O-N 3.41Å; P28-A31 PolarHBondContact O-N 2.92Å
29N73.5Confident78.7Confident131 Ų13158.5 Ų58.570%0.70132%0.321SS*.G310 helixtrans-70.7-16.5-178.2-84.5-14000113.3G27G27-N29 PolarHBondContact O-N 3Å
30Y77.8Confident78.9Confident57 Ų5757.2 Ų57.222%0.22431%0.312CS..G310 helixtrans-120.624.8-178.3-56.3-71.4000111.9G2 L5 L24 G27 P28 S32 Q33 F34G2-Y30 VanDerWaalsContact CA-CZ 3.48Å; G2-Y30 WeakPolarHBondContact CA-OH 3.27Å; L5-Y30 HydrophobicContact CD2-CG 4.22Å; L24-Y30 HydrophobicContact CD2-CE2 4.32Å; G27-Y30 PolarHBondContact O-N 3.43Å; P28-Y30 PolarHBondContact O-N 3.41Å; Y30-S32 PolarHBondContact O-N 2.97Å; Y30-Q33 PolarHBondContact O-N 3.03Å; Y30-Q33 PolarHBondContact O-OE1 3.4Å; Y30-F34 WeakPolarHBondContact O-CD2 3.18Å; Y30-F34 PolarHBondContact O-N 3.42Å
31A79.6Confident79.2Confident25 Ų2555.7 Ų55.721%0.20730%0.304CS..Hα-helixtrans-51.4-36-17300000113.6P28 C35 A57P28-A31 PolarHBondContact O-N 2.92Å; A31-C35 WeakPolarHBondContact O-CB 3.46Å; A31-C35 PolarHBondContact O-N 2.75Å; A31-C35 PolarHBondContact O-SG 2.86Å; A31-A57 HydrophobicContact CB-CB 4.2Å
32S83.1Confident79.6Confident73 Ų7356.3 Ų56.351%0.5131%0.31SS..Hα-helixtrans-64.8-45176.3-176.70000112.5Y30 C35 Q36Y30-S32 PolarHBondContact O-N 2.97Å; S32-C35 PolarHBondContact O-N 3.11Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 3.21Å; S32-Q36 VanDerWaalsContact O-N 3.1Å; S32-Q36 PolarHBondContact OG-NE2 3.17Å
33Q84.8Confident80Confident29 Ų2955 Ų5514%0.13631%0.311CS..Hα-helixtrans-67.9-43.2178.4-61.782.9-10.600110.6L5 E6 V9 Y30 C35 Q36 I37L5-Q33 HydrophobicContact CD2-CB 3.91Å; L5-Q33 HydrophobicContact CG-CB 4.22Å; E6-Q33 HydrophobicContact CG-CG 4.05Å; E6-Q33 VanDerWaalsContact CG-NE2 3.27Å; E6-Q33 PolarHBondContact OE1-NE2 2.89Å; V9-Q33 HydrophobicContact CG2-CB 4.34Å; Y30-Q33 PolarHBondContact O-N 3.03Å; Y30-Q33 PolarHBondContact O-OE1 3.4Å; Q33-C35 VanDerWaalsContact C-N 3.34Å; Q33-C35 PolarHBondContact O-N 3.01Å; Q33-Q36 PolarHBondContact O-N 2.88Å; Q33-I37 WeakPolarHBondContact O-CD1 3.41Å; Q33-I37 VanDerWaalsContact O-CG1 3.26Å; Q33-I37 WeakPolarHBondContact O-CG1 3.33Å; Q33-I37 PolarHBondContact O-N 3.33Å; Q33-I37 VanDerWaalsContact O-N 3.1Å
34F84.9Confident80.4Confident6 Ų655.8 Ų55.83%0.02631%0.312CS..Hα-helixtrans-60.3-42.2174.9-83.9-92.3000111.8L5 Y30 I37 A38 L53 A56 A57L5-F34 HydrophobicContact CD2-CE2 4.3Å; Y30-F34 WeakPolarHBondContact O-CD2 3.18Å; Y30-F34 PolarHBondContact O-N 3.42Å; F34-I37 PolarHBondContact O-N 3.28Å; F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.82Å; F34-L53 HydrophobicContact CD1-CB 4.39Å; F34-L53 HydrophobicContact CD1-CD2 3.53Å; F34-L53 HydrophobicContact CE1-CD2 3.85Å; F34-A56 HydrophobicContact CD1-CB 4.24Å; F34-A56 HydrophobicContact CE1-CB 4.15Å; F34-A57 HydrophobicContact CB-CB 3.79Å
35C86Confident80.9Confident9 Ų956.3 Ų56.36%0.06132%0.324CS..Hα-helixtrans-62.5-43175.9-72.30000112.5A31 S32 Q33 I37 A38 D39A31-C35 WeakPolarHBondContact O-CB 3.46Å; A31-C35 PolarHBondContact O-N 2.75Å; A31-C35 PolarHBondContact O-SG 2.86Å; S32-C35 PolarHBondContact O-N 3.11Å; Q33-C35 VanDerWaalsContact C-N 3.34Å; Q33-C35 PolarHBondContact O-N 3.01Å; C35-I37 VanDerWaalsContact C-N 3.34Å; C35-I37 PolarHBondContact O-N 3.41Å; C35-A38 PolarHBondContact O-N 3.14Å; C35-D39 WeakPolarHBondContact O-CB 3.24Å; C35-D39 PolarHBondContact O-N 3.37Å
36Q85.9Confident82Confident86 Ų8653.1 Ų53.140%0.40230%0.303SS..Hα-helixtrans-64.7-38.8179.1-71.8173.541.300112.3V9 W14 S32 Q33 H40V9-Q36 HydrophobicContact CG1-CB 4.11Å; W14-Q36 HydrophobicContact CZ3-CB 4.49Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 3.21Å; S32-Q36 VanDerWaalsContact O-N 3.1Å; S32-Q36 PolarHBondContact OG-NE2 3.17Å; Q33-Q36 PolarHBondContact O-N 2.88Å; Q36-H40 PolarHBondContact O-N 3.18Å; Q36-H40 VanDerWaalsContact O-N 3.16Å
37I87.1Confident83.2Confident0 Ų051.4 Ų51.40%029%0.289CS..Hα-helixtrans-66.8-42.8174.8-59.2162.2000109.6L5 V9 W14 A17 Q33 F34 C35 H40 M41 L53L5-I37 HydrophobicContact CD1-CD1 3.83Å; V9-I37 HydrophobicContact CG2-CD1 3.87Å; V9-I37 HydrophobicContact CG2-CG1 3.78Å; W14-I37 HydrophobicContact CE3-CG1 4.37Å; W14-I37 HydrophobicContact CZ3-CG1 4.43Å; A17-I37 HydrophobicContact CB-CD1 3.79Å; A17-I37 HydrophobicContact CB-CG1 4.03Å; Q33-I37 WeakPolarHBondContact O-CD1 3.41Å; Q33-I37 VanDerWaalsContact O-CG1 3.26Å; Q33-I37 WeakPolarHBondContact O-CG1 3.33Å; Q33-I37 PolarHBondContact O-N 3.33Å; Q33-I37 VanDerWaalsContact O-N 3.1Å; F34-I37 PolarHBondContact O-N 3.28Å; C35-I37 VanDerWaalsContact C-N 3.34Å; C35-I37 PolarHBondContact O-N 3.41Å; I37-H40 PolarHBondContact O-N 3.09Å; I37-M41 HydrophobicContact CG2-CE 4.41Å; I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 WeakPolarHBondContact O-CB 3.25Å; I37-M41 VanDerWaalsContact O-CG 3.25Å; I37-M41 WeakPolarHBondContact O-CG 3.39Å; I37-M41 PolarHBondContact O-N 3.36Å; I37-L53 HydrophobicContact CB-CD1 4.1Å; I37-L53 HydrophobicContact CG2-CD1 3.54Å
38A87.2Confident84.3Confident0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-63.2-4517800000112.2F34 C35 H40 M41 A42 A50 L53 Y54F34-A38 WeakPolarHBondContact O-CB 3.28Å; F34-A38 PolarHBondContact O-N 2.82Å; C35-A38 PolarHBondContact O-N 3.14Å; A38-H40 VanDerWaalsContact C-N 3.3Å; A38-H40 PolarHBondContact O-N 3.18Å; A38-M41 PolarHBondContact O-N 3.13Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.91Å; A38-A50 HydrophobicContact CB-CB 4.29Å; A38-L53 HydrophobicContact CB-CB 3.83Å; A38-L53 HydrophobicContact CB-CD1 4.33Å; A38-Y54 HydrophobicContact CB-CD1 3.78Å; A38-Y54 HydrophobicContact CB-CD2 3.95Å; A38-Y54 HydrophobicContact CB-CE1 3.53Å; A38-Y54 HydrophobicContact CB-CE2 3.72Å; A38-Y54 HydrophobicContact CB-CG 3.97Å; A38-Y54 VanDerWaalsContact CB-CZ 3.5Å
39D87.6Confident85.3Confident66 Ų6655.4 Ų55.435%0.35330%0.298SS..Hα-helixtrans-58.2-43176.5-67.2-23.8000110.4C35 A42 T43 Y54 R62C35-D39 WeakPolarHBondContact O-CB 3.24Å; C35-D39 PolarHBondContact O-N 3.37Å; D39-A42 PolarHBondContact O-N 3.04Å; D39-T43 PolarHBondContact O-N 3.06Å; D39-T43 VanDerWaalsContact O-N 3.11Å; D39-Y54 PolarHBondContact OD1-OH 3.45Å; D39-R62 IonicContact OD2-NH1 3.82Å
40H88.4Confident86Confident54 Ų5449.2 Ų49.225%0.2527%0.265CS..Hα-helixtrans-68.9-39.9176.4-172.564.8000113.1W14 Q36 I37 A38 A42 T43 L44W14-H40 AromaticContact CD1-CD2 3.29Å; W14-H40 AromaticContact CD1-CE1 3.68Å; W14-H40 AromaticContact CD1-CG 3.96Å; W14-H40 AromaticContact CD1-NE2 3.07Å; W14-H40 HydrophobicContact CD2-CB 4.03Å; W14-H40 AromaticContact CD2-CD2 3.46Å; W14-H40 VanDerWaalsContact CD2-CD2 3.46Å; W14-H40 AromaticContact CD2-CG 3.67Å; W14-H40 AromaticContact CE2-CD2 3.79Å; W14-H40 AromaticContact CE2-CG 3.7Å; W14-H40 AromaticContact CE2-ND1 3.96Å; W14-H40 HydrophobicContact CE3-CB 4.01Å; W14-H40 AromaticContact CG-CD2 3.13Å; W14-H40 AromaticContact CG-CG 3.85Å; W14-H40 AromaticContact CG-NE2 3.46Å; W14-H40 HydrophobicContact CH2-CB 4.39Å; W14-H40 HydrophobicContact CZ2-CB 4.4Å; W14-H40 HydrophobicContact CZ3-CB 4.19Å; W14-H40 AromaticContact NE1-CD2 3.66Å; W14-H40 AromaticContact NE1-CE1 3.59Å; W14-H40 AromaticContact NE1-CG 3.86Å; W14-H40 AromaticContact NE1-ND1 3.83Å; W14-H40 AromaticContact NE1-NE2 3.47Å; W14-H40 PolarHBondContact NE1-NE2 3.18Å; Q36-H40 PolarHBondContact O-N 3.18Å; Q36-H40 VanDerWaalsContact O-N 3.16Å; I37-H40 PolarHBondContact O-N 3.09Å; A38-H40 VanDerWaalsContact C-N 3.3Å; A38-H40 PolarHBondContact O-N 3.18Å; H40-A42 VanDerWaalsContact C-N 3.29Å; H40-A42 PolarHBondContact O-N 3.4Å; H40-T43 PolarHBondContact O-N 3.43Å; H40-T43 PolarHBondContact O-OG1 3.23Å; H40-L44 WeakPolarHBondContact O-CG 3.35Å; H40-L44 PolarHBondContact O-N 3.4Å
41M87.6Confident86.5Confident2 Ų247.4 Ų47.41%0.0126%0.258CS..Hα-helixtrans-65.6-34.5175.7-70.1-67.517100111.6L18 I37 A38 L44 G45 K46 I49 A50 L53L18-M41 HydrophobicContact CB-CE 4.06Å; L18-M41 HydrophobicContact CD1-CE 4.37Å; L18-M41 HydrophobicContact CD2-CE 3.89Å; L18-M41 HydrophobicContact CG-CE 4.33Å; I37-M41 HydrophobicContact CG2-CE 4.41Å; I37-M41 HydrophobicContact CG2-CG 4.35Å; I37-M41 WeakPolarHBondContact O-CB 3.25Å; I37-M41 VanDerWaalsContact O-CG 3.25Å; I37-M41 WeakPolarHBondContact O-CG 3.39Å; I37-M41 PolarHBondContact O-N 3.36Å; A38-M41 PolarHBondContact O-N 3.13Å; M41-L44 PolarHBondContact O-N 3.3Å; M41-L44 HydrophobicContact SD-CD1 4.39Å; M41-G45 PolarHBondContact O-N 3.34Å; M41-K46 HydrophobicContact CB-CB 4.46Å; M41-K46 PolarHBondContact O-N 3.02Å; M41-K46 HydrophobicContact SD-CD 4.08Å; M41-I49 HydrophobicContact CG-CG2 4.09Å; M41-I49 HydrophobicContact SD-CG2 4.34Å; M41-A50 HydrophobicContact CB-CB 4.19Å; M41-L53 HydrophobicContact CG-CD1 4.4Å
42A88.1Confident86.8Confident20 Ų2054.8 Ų54.817%0.16528%0.281CS..Hα-helixtrans-64.7-40.1173.100000111.7A38 D39 H40 L44 G45 A50 M66A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.91Å; D39-A42 PolarHBondContact O-N 3.04Å; H40-A42 VanDerWaalsContact C-N 3.29Å; H40-A42 PolarHBondContact O-N 3.4Å; A42-L44 PolarHBondContact O-N 3.19Å; A42-G45 PolarHBondContact O-N 3.37Å; A42-G45 VanDerWaalsContact O-N 3.08Å; A42-A50 HydrophobicContact CB-CB 4.37Å; A42-M66 HydrophobicContact CB-CG 3.85Å; A42-M66 HydrophobicContact CB-SD 3.75Å
43T88.3Confident86.9Confident112 Ų11251.8 Ų51.869%0.68726%0.259SS*.Hα-helixtrans-65.6-24.4174.558.30000113.7D39 H40 G45D39-T43 PolarHBondContact O-N 3.06Å; D39-T43 VanDerWaalsContact O-N 3.11Å; H40-T43 PolarHBondContact O-N 3.43Å; H40-T43 PolarHBondContact O-OG1 3.23Å; T43-G45 VanDerWaalsContact C-N 3.31Å
44L87.6Confident87Confident98 Ų9850.8 Ų50.851%0.51325%0.254SS..THydrogen-bonded Turntrans-86.11.9175.1-68172.4000113.4H40 M41 A42 K46H40-L44 WeakPolarHBondContact O-CG 3.35Å; H40-L44 PolarHBondContact O-N 3.4Å; M41-L44 PolarHBondContact O-N 3.3Å; M41-L44 HydrophobicContact SD-CD1 4.39Å; A42-L44 PolarHBondContact O-N 3.19Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 3.05Å
45G84.9Confident86.9Confident40 Ų4053.2 Ų53.241%0.41227%0.267SS..THydrogen-bonded Turntrans74.111.9-176.600000114.6M41 A42 T43 Y47M41-G45 PolarHBondContact O-N 3.34Å; A42-G45 PolarHBondContact O-N 3.37Å; A42-G45 VanDerWaalsContact O-N 3.08Å; T43-G45 VanDerWaalsContact C-N 3.31Å; G45-Y47 VanDerWaalsContact C-N 3.35Å; G45-Y47 WeakPolarHBondContact O-CD2 3.3Å; G45-Y47 PolarHBondContact O-N 2.98Å
46K88.4Confident86.7Confident97 Ų9754.9 Ų54.942%0.42228%0.282SS..  trans-92.263.2-179.7-67.9-179.2176.7-1780111.3M41 L44 E48 I49 A50M41-K46 HydrophobicContact CB-CB 4.46Å; M41-K46 PolarHBondContact O-N 3.02Å; M41-K46 HydrophobicContact SD-CD 4.08Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 3.05Å; K46-E48 PolarHBondContact O-N 2.7Å; K46-I49 HydrophobicContact CB-CB 4.49Å; K46-I49 HydrophobicContact CB-CD1 4.27Å; K46-I49 HydrophobicContact CD-CD1 4.11Å; K46-I49 PolarHBondContact O-N 3.03Å; K46-A50 PolarHBondContact O-N 3.24Å
47Y89Confident86.5Confident67 Ų6751.1 Ų51.126%0.26327%0.265SS..Hα-helixtrans-63-38-171-54.6-65.5000114.2G45 I49 A50 E51 M66 Y67 A70 M72G45-Y47 VanDerWaalsContact C-N 3.35Å; G45-Y47 WeakPolarHBondContact O-CD2 3.3Å; G45-Y47 PolarHBondContact O-N 2.98Å; Y47-I49 VanDerWaalsContact C-N 3.27Å; Y47-I49 PolarHBondContact O-N 3.27Å; Y47-A50 CarbonylContact O-C 3.4Å; Y47-A50 PolarHBondContact O-N 3.18Å; Y47-A50 VanDerWaalsContact O-N 3.17Å; Y47-E51 PolarHBondContact O-N 3.1Å; Y47-M66 HydrophobicContact CD1-CE 4.15Å; Y47-M66 HydrophobicContact CD1-CG 4.17Å; Y47-M66 HydrophobicContact CD1-SD 3.94Å; Y47-Y67 HydrophobicContact CG-CE1 4.27Å; Y47-A70 HydrophobicContact CD1-CB 4.39Å; Y47-A70 HydrophobicContact CE1-CB 3.72Å; Y47-A70 HydrophobicContact CE2-CB 4.38Å; Y47-M72 HydrophobicContact CD2-CE 4.21Å; Y47-M72 HydrophobicContact CD2-SD 3.44Å; Y47-M72 WeakPolarHBondContact CD2-SD 3.32Å; Y47-M72 HydrophobicContact CE2-SD 3.59Å; Y47-M72 VanDerWaalsContact CE2-SD 3.59Å; Y47-M72 HydrophobicContact CG-SD 4.13Å
48E85.8Confident86.1Confident140 Ų14053.6 Ų53.665%0.65429%0.291SS*.Hα-helixtrans-62-35.9179.1-62.5173.5176.100112.7K46 R52K46-E48 PolarHBondContact O-N 2.7Å; E48-R52 WeakPolarHBondContact O-CG 3.37Å; E48-R52 PolarHBondContact O-N 2.96Å
49I86.2Confident85.9Confident52 Ų5257.1 Ų57.127%0.26731%0.307SS..Hα-helixtrans-73.2-41.2177.4-65.1169.3000109.4L18 M41 K46 Y47 R52 L53L18-I49 HydrophobicContact CD1-CG2 3.58Å; L18-I49 HydrophobicContact CD2-CG2 4.29Å; M41-I49 HydrophobicContact CG-CG2 4.09Å; M41-I49 HydrophobicContact SD-CG2 4.34Å; K46-I49 HydrophobicContact CB-CB 4.49Å; K46-I49 HydrophobicContact CB-CD1 4.27Å; K46-I49 HydrophobicContact CD-CD1 4.11Å; K46-I49 PolarHBondContact O-N 3.03Å; Y47-I49 VanDerWaalsContact C-N 3.27Å; Y47-I49 PolarHBondContact O-N 3.27Å; I49-R52 PolarHBondContact O-N 3.37Å; I49-L53 HydrophobicContact CG2-CD1 4.12Å; I49-L53 VanDerWaalsContact O-CG 3.31Å; I49-L53 WeakPolarHBondContact O-CG 3.37Å; I49-L53 PolarHBondContact O-N 3.18Å; I49-L53 VanDerWaalsContact O-N 3.13Å
50A88.3Confident85.6Confident0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-63.3-41.3174.700000112.1A38 M41 A42 K46 Y47 R52 L53 Y54 M66A38-A50 HydrophobicContact CB-CB 4.29Å; M41-A50 HydrophobicContact CB-CB 4.19Å; A42-A50 HydrophobicContact CB-CB 4.37Å; K46-A50 PolarHBondContact O-N 3.24Å; Y47-A50 CarbonylContact O-C 3.4Å; Y47-A50 PolarHBondContact O-N 3.18Å; Y47-A50 VanDerWaalsContact O-N 3.17Å; A50-R52 PolarHBondContact O-N 3.35Å; A50-L53 PolarHBondContact O-N 3.48Å; A50-Y54 HydrophobicContact CB-CD2 4.41Å; A50-Y54 HydrophobicContact CB-CE2 4.17Å; A50-Y54 WeakPolarHBondContact O-CD2 3.35Å; A50-Y54 PolarHBondContact O-N 2.91Å; A50-M66 HydrophobicContact CB-CE 4.31Å; A50-M66 HydrophobicContact CB-SD 3.42Å; A50-M66 WeakPolarHBondContact CB-SD 3.46Å
51E87.1Confident85.3Confident19 Ų1958.3 Ų58.39%0.08932%0.316CS..Hα-helixtrans-53.6-53.8173.4-177.8-171.915000109.9Y47 L53 Y54 L55 Y67 R78 V79 K82Y47-E51 PolarHBondContact O-N 3.1Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.46Å; E51-Y54 PolarHBondContact O-N 3.46Å; E51-L55 HydrophobicContact CG-CD1 3.83Å; E51-L55 HydrophobicContact CG-CG 4.27Å; E51-L55 WeakPolarHBondContact O-CB 3.5Å; E51-L55 VanDerWaalsContact O-CG 3.23Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 2.81Å; E51-Y67 HydrophobicContact CB-CE2 4.11Å; E51-Y67 HydrophobicContact CG-CE2 4.24Å; E51-Y67 PolarHBondContact OE2-OH 2.95Å; E51-Y67 VanDerWaalsContact OE2-OH 3.05Å; E51-R78 IonicContact OE2-NH2 3.18Å; E51-R78 PolarHBondContact OE2-NH2 3.23Å; E51-V79 HydrophobicContact CG-CG2 3.94Å; E51-K82 IonicContact OE1-NZ 3.44Å
52R86Confident85.2Confident180 Ų18063.4 Ų63.468%0.67934%0.335SS*.Hα-helixtrans-57.7-40.2179.6-70.4179-169179.26112.6E48 I49 A50 A56E48-R52 WeakPolarHBondContact O-CG 3.37Å; E48-R52 PolarHBondContact O-N 2.96Å; I49-R52 PolarHBondContact O-N 3.37Å; A50-R52 PolarHBondContact O-N 3.35Å; R52-A56 VanDerWaalsContact O-CB 3.28Å; R52-A56 WeakPolarHBondContact O-CB 3.45Å; R52-A56 PolarHBondContact O-N 2.76Å
53L85.6Confident85.1Confident10 Ų1062.5 Ų62.55%0.05233%0.327CS..Hα-helixtrans-71.5-41.8179.9-68.6168.8000112.4L18 F34 I37 A38 M41 I49 A50 E51 A56 A57L18-L53 HydrophobicContact CD1-CD1 4.08Å; L18-L53 HydrophobicContact CD1-CD2 4.4Å; F34-L53 HydrophobicContact CD1-CB 4.39Å; F34-L53 HydrophobicContact CD1-CD2 3.53Å; F34-L53 HydrophobicContact CE1-CD2 3.85Å; I37-L53 HydrophobicContact CB-CD1 4.1Å; I37-L53 HydrophobicContact CG2-CD1 3.54Å; A38-L53 HydrophobicContact CB-CB 3.83Å; A38-L53 HydrophobicContact CB-CD1 4.33Å; M41-L53 HydrophobicContact CG-CD1 4.4Å; I49-L53 HydrophobicContact CG2-CD1 4.12Å; I49-L53 VanDerWaalsContact O-CG 3.31Å; I49-L53 WeakPolarHBondContact O-CG 3.37Å; I49-L53 PolarHBondContact O-N 3.18Å; I49-L53 VanDerWaalsContact O-N 3.13Å; A50-L53 PolarHBondContact O-N 3.48Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.46Å; L53-A56 PolarHBondContact O-N 2.81Å; L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.26Å
54Y87.6Confident84.8Confident8 Ų857.2 Ų57.23%0.03130%0.295CS..Hα-helixtrans-65.2-41.3175-74.3-53.7000111.9A38 D39 A50 E51 A57 G58 Q59 R62 M66A38-Y54 HydrophobicContact CB-CD1 3.78Å; A38-Y54 HydrophobicContact CB-CD2 3.95Å; A38-Y54 HydrophobicContact CB-CE1 3.53Å; A38-Y54 HydrophobicContact CB-CE2 3.72Å; A38-Y54 HydrophobicContact CB-CG 3.97Å; A38-Y54 VanDerWaalsContact CB-CZ 3.5Å; D39-Y54 PolarHBondContact OD1-OH 3.45Å; A50-Y54 HydrophobicContact CB-CD2 4.41Å; A50-Y54 HydrophobicContact CB-CE2 4.17Å; A50-Y54 WeakPolarHBondContact O-CD2 3.35Å; A50-Y54 PolarHBondContact O-N 2.91Å; E51-Y54 PolarHBondContact O-N 3.46Å; Y54-A57 PolarHBondContact O-N 3.04Å; Y54-G58 PolarHBondContact O-N 3.15Å; Y54-Q59 PolarHBondContact O-N 3.27Å; Y54-R62 HydrophobicContact CD1-CB 3.79Å; Y54-R62 HydrophobicContact CE1-CB 3.73Å; Y54-R62 HydrophobicContact CG-CB 4.36Å; Y54-M66 HydrophobicContact CD2-SD 4.31Å; Y54-M66 HydrophobicContact CE2-CB 4.14Å; Y54-M66 HydrophobicContact CE2-CG 4.37Å; Y54-M66 HydrophobicContact CE2-SD 3.74Å
55L83.4Confident84.7Confident57 Ų5754.9 Ų54.930%0.29828%0.283SS..Hα-helixtrans-63.1-43.2174.9-68.7179.1000111.1E51 A57 G58 Q60E51-L55 HydrophobicContact CG-CD1 3.83Å; E51-L55 HydrophobicContact CG-CG 4.27Å; E51-L55 WeakPolarHBondContact O-CB 3.5Å; E51-L55 VanDerWaalsContact O-CG 3.23Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 2.81Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.48Å; L55-G58 PolarHBondContact O-N 2.63Å; L55-G58 VanDerWaalsContact O-N 3.13Å; L55-Q60 HydrophobicContact CD2-CG 3.82Å
56A81.7Confident84.8Confident44 Ų4453.6 Ų53.636%0.36427%0.266SS..Hα-helixtrans-65-30.1175.400000113.3G27 F34 R52 L53 G58G27-A56 CarbonylContact C-O 3.56Å; G27-A56 WeakPolarHBondContact CA-O 3.49Å; F34-A56 HydrophobicContact CD1-CB 4.24Å; F34-A56 HydrophobicContact CE1-CB 4.15Å; R52-A56 VanDerWaalsContact O-CB 3.28Å; R52-A56 WeakPolarHBondContact O-CB 3.45Å; R52-A56 PolarHBondContact O-N 2.76Å; L53-A56 PolarHBondContact O-N 2.81Å; A56-G58 VanDerWaalsContact C-N 3.3Å
57A80.6Confident84.8Confident7 Ų749.1 Ų49.16%0.05825%0.247CC..THydrogen-bonded Turntrans-79.5-6.6174.900000114.1A31 F34 L53 Y54 L55 Q59A31-A57 HydrophobicContact CB-CB 4.2Å; F34-A57 HydrophobicContact CB-CB 3.79Å; L53-A57 WeakPolarHBondContact O-CB 3.41Å; L53-A57 PolarHBondContact O-N 3.26Å; Y54-A57 PolarHBondContact O-N 3.04Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.48Å; A57-Q59 HydrophobicContact CB-CB 4.42Å; A57-Q59 HydrophobicContact CB-CG 4.32Å; A57-Q59 PolarHBondContact O-N 3.24Å
58G79.6Confident84.4Confident53 Ų5347 Ų4755%0.54624%0.24SC..THydrogen-bonded Turntrans6919-172.300000114.1Y54 L55 A56Y54-G58 PolarHBondContact O-N 3.15Å; L55-G58 PolarHBondContact O-N 2.63Å; L55-G58 VanDerWaalsContact O-N 3.13Å; A56-G58 VanDerWaalsContact C-N 3.3Å
59Q82.2Confident84.3Confident73 Ų7350.3 Ų50.334%0.34125%0.246SC..  trans-107.261.2-176.9-70.2-72.4-20.900110.7Y54 A57 T61 R62 S63Y54-Q59 PolarHBondContact O-N 3.27Å; A57-Q59 HydrophobicContact CB-CB 4.42Å; A57-Q59 HydrophobicContact CB-CG 4.32Å; A57-Q59 PolarHBondContact O-N 3.24Å; Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.17Å; Q59-R62 HydrophobicContact CB-CB 4.44Å; Q59-R62 HydrophobicContact CB-CG 4.46Å; Q59-R62 PolarHBondContact O-N 3.31Å; Q59-S63 PolarHBondContact O-N 3.44Å
60Q81Confident84.2Confident77 Ų7749.1 Ų49.136%0.3625%0.245SC..Hα-helixtrans-63.5-37.2-174.7-65.5160.1-3.800112.7L55 R62 S63 V64 C83L55-Q60 HydrophobicContact CD2-CG 3.82Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3.12Å; Q60-S63 WeakPolarHBondContact O-CB 3.22Å; Q60-S63 PolarHBondContact O-N 2.97Å; Q60-V64 PolarHBondContact O-N 3.2Å; Q60-V64 VanDerWaalsContact O-N 3.12Å; Q60-C83 HydrophobicContact CB-CB 3.8Å; Q60-C83 VanDerWaalsContact CB-SG 3.57Å; Q60-C83 HydrophobicContact CG-CB 4.03Å; Q60-C83 WeakPolarHBondContact CG-SG 3.43Å
61T82.8Confident83.9Confident68 Ų6854.8 Ų54.842%0.41727%0.269SS..Hα-helixtrans-59.3-40.4176.7480000112.4Q59 S63 V64 D65Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.17Å; T61-S63 VanDerWaalsContact C-N 3.29Å; T61-S63 PolarHBondContact O-N 3.29Å; T61-V64 PolarHBondContact O-N 2.94Å; T61-D65 PolarHBondContact O-N 3.25Å
62R84.6Confident83.7Confident110 Ų11056.8 Ų56.842%0.41528%0.279SS..Hα-helixtrans-64.5-33.3175.1-71.6-168.2177.3-157.50.6112.7D39 Y54 Q59 Q60 M66D39-R62 IonicContact OD2-NH1 3.82Å; Y54-R62 HydrophobicContact CD1-CB 3.79Å; Y54-R62 HydrophobicContact CE1-CB 3.73Å; Y54-R62 HydrophobicContact CG-CB 4.36Å; Q59-R62 HydrophobicContact CB-CB 4.44Å; Q59-R62 HydrophobicContact CB-CG 4.46Å; Q59-R62 PolarHBondContact O-N 3.31Å; Q60-R62 VanDerWaalsContact C-N 3.32Å; Q60-R62 PolarHBondContact O-N 3.12Å; R62-M66 VanDerWaalsContact O-CB 3.3Å; R62-M66 WeakPolarHBondContact O-CB 3.37Å; R62-M66 PolarHBondContact O-N 3.22Å
63S85.4Confident83.5Confident0 Ų048.9 Ų48.90%025%0.25CC..Hα-helixtrans-67.4-41.3175.5-166.50000111.6Q59 Q60 T61 M66 Y67Q59-S63 PolarHBondContact O-N 3.44Å; Q60-S63 WeakPolarHBondContact O-CB 3.22Å; Q60-S63 PolarHBondContact O-N 2.97Å; T61-S63 VanDerWaalsContact C-N 3.29Å; T61-S63 PolarHBondContact O-N 3.29Å; S63-M66 WeakPolarHBondContact O-CB 3.3Å; S63-M66 PolarHBondContact O-N 2.82Å; S63-Y67 VanDerWaalsContact O-CD2 3.26Å; S63-Y67 WeakPolarHBondContact O-CD2 3.43Å; S63-Y67 PolarHBondContact O-N 3.42Å; S63-Y67 VanDerWaalsContact O-N 3.17Å
64V83.4Confident83.2Confident2 Ų254.2 Ų54.21%0.01227%0.274CS..Hα-helixtrans-64.9-46.7174.9178.10000110.1Q60 T61 M66 Y67 N68 A76 V79 A80 F93Q60-V64 PolarHBondContact O-N 3.2Å; Q60-V64 VanDerWaalsContact O-N 3.12Å; T61-V64 PolarHBondContact O-N 2.94Å; V64-M66 VanDerWaalsContact C-N 3.28Å; V64-M66 PolarHBondContact O-N 3.4Å; V64-Y67 PolarHBondContact O-N 3.46Å; V64-N68 WeakPolarHBondContact O-CB 3.48Å; V64-N68 PolarHBondContact O-N 3.22Å; V64-A76 HydrophobicContact CG1-CB 4.39Å; V64-V79 HydrophobicContact CG2-CB 4.35Å; V64-V79 HydrophobicContact CG2-CG1 4Å; V64-A80 HydrophobicContact CG2-CB 4.06Å; V64-F93 HydrophobicContact CG1-CE2 4.42Å; V64-F93 HydrophobicContact CG1-CZ 3.9Å
65D84.4Confident83Confident49 Ų4955.5 Ų55.526%0.26228%0.282SS..Hα-helixtrans-62-35.3177.9-65.6-16.4000112.1T61 R69 R92T61-D65 PolarHBondContact O-N 3.25Å; D65-R69 WeakPolarHBondContact O-CB 3.14Å; D65-R69 VanDerWaalsContact O-CG 3.23Å; D65-R69 WeakPolarHBondContact O-CG 3.45Å; D65-R69 PolarHBondContact O-N 3.02Å; D65-R92 IonicContact OD1-NH2 2.87Å; D65-R92 PolarHBondContact OD1-NH2 2.84Å
66M88.1Confident82.9Confident13 Ų1352.8 Ų52.86%0.06427%0.267CS..Hα-helixtrans-60.8-51.7173.8176.4-160.969.900110.9A42 Y47 A50 Y54 R62 S63 V64 R69 A70A42-M66 HydrophobicContact CB-CG 3.85Å; A42-M66 HydrophobicContact CB-SD 3.75Å; Y47-M66 HydrophobicContact CD1-CE 4.15Å; Y47-M66 HydrophobicContact CD1-CG 4.17Å; Y47-M66 HydrophobicContact CD1-SD 3.94Å; A50-M66 HydrophobicContact CB-CE 4.31Å; A50-M66 HydrophobicContact CB-SD 3.42Å; A50-M66 WeakPolarHBondContact CB-SD 3.46Å; Y54-M66 HydrophobicContact CD2-SD 4.31Å; Y54-M66 HydrophobicContact CE2-CB 4.14Å; Y54-M66 HydrophobicContact CE2-CG 4.37Å; Y54-M66 HydrophobicContact CE2-SD 3.74Å; R62-M66 VanDerWaalsContact O-CB 3.3Å; R62-M66 WeakPolarHBondContact O-CB 3.37Å; R62-M66 PolarHBondContact O-N 3.22Å; S63-M66 WeakPolarHBondContact O-CB 3.3Å; S63-M66 PolarHBondContact O-N 2.82Å; V64-M66 VanDerWaalsContact C-N 3.28Å; V64-M66 PolarHBondContact O-N 3.4Å; M66-R69 PolarHBondContact O-N 3.12Å; M66-A70 WeakPolarHBondContact O-CB 3.32Å; M66-A70 PolarHBondContact O-N 3.44Å
67Y87.6Confident82.9Confident2 Ų252.3 Ų52.31%0.00826%0.256CS..Hα-helixtrans-65.2-38.3179.3-79.5-60.9000112.2Y47 E51 S63 V64 A70 K71 M72 D75 V79Y47-Y67 HydrophobicContact CG-CE1 4.27Å; E51-Y67 HydrophobicContact CB-CE2 4.11Å; E51-Y67 HydrophobicContact CG-CE2 4.24Å; E51-Y67 PolarHBondContact OE2-OH 2.95Å; E51-Y67 VanDerWaalsContact OE2-OH 3.05Å; S63-Y67 VanDerWaalsContact O-CD2 3.26Å; S63-Y67 WeakPolarHBondContact O-CD2 3.43Å; S63-Y67 PolarHBondContact O-N 3.42Å; S63-Y67 VanDerWaalsContact O-N 3.17Å; V64-Y67 PolarHBondContact O-N 3.46Å; Y67-A70 CarbonylContact O-C 3.57Å; Y67-A70 PolarHBondContact O-N 3.38Å; Y67-K71 PolarHBondContact O-N 3Å; Y67-K71 VanDerWaalsContact O-N 3.15Å; Y67-M72 HydrophobicContact CD1-CB 3.84Å; Y67-M72 HydrophobicContact CD1-CE 4.48Å; Y67-M72 HydrophobicContact CD1-SD 4.27Å; Y67-M72 HydrophobicContact CE1-CE 4.19Å; Y67-M72 HydrophobicContact CE1-SD 4.39Å; Y67-M72 PolarHBondContact O-N 3.14Å; Y67-D75 HydrophobicContact CD1-CB 3.43Å; Y67-D75 VanDerWaalsContact CD1-CB 3.43Å; Y67-D75 HydrophobicContact CD2-CB 4.12Å; Y67-D75 HydrophobicContact CE1-CB 3.45Å; Y67-D75 VanDerWaalsContact CE1-CB 3.45Å; Y67-D75 HydrophobicContact CE2-CB 4.17Å; Y67-D75 HydrophobicContact CG-CB 3.77Å; Y67-V79 HydrophobicContact CD2-CG2 4.03Å; Y67-V79 HydrophobicContact CE2-CG2 3.75Å
68N81.4Confident83.1Confident22 Ų2256.9 Ų56.912%0.11827%0.272CS..Hα-helixtrans-62.2-42.2173.5-82-8.8000112.4V64 A70 K71 A76 E96V64-N68 WeakPolarHBondContact O-CB 3.48Å; V64-N68 PolarHBondContact O-N 3.22Å; N68-A70 VanDerWaalsContact C-N 3.32Å; N68-A70 PolarHBondContact O-N 3.32Å; N68-K71 PolarHBondContact O-N 3.46Å; N68-A76 WeakPolarHBondContact OD1-CB 3.47Å; N68-E96 VanDerWaalsContact ND2-CD 3.34Å; N68-E96 PolarHBondContact ND2-OE1 3.06Å; N68-E96 VanDerWaalsContact ND2-OE1 3.14Å; N68-E96 PolarHBondContact ND2-OE2 3.12Å
69R83.8Confident83.2Confident210 Ų21054.3 Ų54.379%0.79225%0.246SC*.Hα-helixtrans-65.4-35.4174.1-74173.4-168.7173.75.9112.5D65 M66 K71D65-R69 WeakPolarHBondContact O-CB 3.14Å; D65-R69 VanDerWaalsContact O-CG 3.23Å; D65-R69 WeakPolarHBondContact O-CG 3.45Å; D65-R69 PolarHBondContact O-N 3.02Å; M66-R69 PolarHBondContact O-N 3.12Å; R69-K71 PolarHBondContact O-N 3.41Å
70A84.4Confident83.1Confident28 Ų2850.9 Ų50.923%0.23123%0.23CC..THydrogen-bonded Turntrans-76.80.2175.900000113.6Y47 M66 Y67 N68 M72Y47-A70 HydrophobicContact CD1-CB 4.39Å; Y47-A70 HydrophobicContact CE1-CB 3.72Å; Y47-A70 HydrophobicContact CE2-CB 4.38Å; M66-A70 WeakPolarHBondContact O-CB 3.32Å; M66-A70 PolarHBondContact O-N 3.44Å; Y67-A70 CarbonylContact O-C 3.57Å; Y67-A70 PolarHBondContact O-N 3.38Å; N68-A70 VanDerWaalsContact C-N 3.32Å; N68-A70 PolarHBondContact O-N 3.32Å; A70-M72 HydrophobicContact CB-CG 4.16Å; A70-M72 HydrophobicContact CB-SD 4.21Å; A70-M72 PolarHBondContact O-N 3.04Å
71K82.1Confident83Confident118 Ų11850.1 Ų50.151%0.51323%0.232SC..THydrogen-bonded Turntrans59.124.5-174.8-53.4173.6174.5-172.90113.3Y67 N68 R69 Y73 R105Y67-K71 PolarHBondContact O-N 3Å; Y67-K71 VanDerWaalsContact O-N 3.15Å; N68-K71 PolarHBondContact O-N 3.46Å; R69-K71 PolarHBondContact O-N 3.41Å; K71-Y73 HydrophobicContact CB-CE2 3.99Å; K71-Y73 WeakPolarHBondContact O-CD2 3.25Å; K71-Y73 PolarHBondContact O-N 3.31Å; K71-R105 VanDerWaalsContact CD-NH2 3.28Å; K71-R105 VanDerWaalsContact CE-NH2 3.3Å
72M82.6Confident82.7Confident62 Ų6253.3 Ų53.331%0.30524%0.241SC..  trans-99.270.1178.8-68.7178.672.700109.3Y47 Y67 A70 E74 D75 A76Y47-M72 HydrophobicContact CD2-CE 4.21Å; Y47-M72 HydrophobicContact CD2-SD 3.44Å; Y47-M72 WeakPolarHBondContact CD2-SD 3.32Å; Y47-M72 HydrophobicContact CE2-SD 3.59Å; Y47-M72 VanDerWaalsContact CE2-SD 3.59Å; Y47-M72 HydrophobicContact CG-SD 4.13Å; Y67-M72 HydrophobicContact CD1-CB 3.84Å; Y67-M72 HydrophobicContact CD1-CE 4.48Å; Y67-M72 HydrophobicContact CD1-SD 4.27Å; Y67-M72 HydrophobicContact CE1-CE 4.19Å; Y67-M72 HydrophobicContact CE1-SD 4.39Å; Y67-M72 PolarHBondContact O-N 3.14Å; A70-M72 HydrophobicContact CB-CG 4.16Å; A70-M72 HydrophobicContact CB-SD 4.21Å; A70-M72 PolarHBondContact O-N 3.04Å; M72-E74 PolarHBondContact O-N 3.4Å; M72-D75 HydrophobicContact CB-CB 4.37Å; M72-D75 WeakPolarHBondContact CE-OD2 3.4Å; M72-D75 PolarHBondContact O-N 3.02Å; M72-A76 PolarHBondContact O-N 3.38Å
73Y80.2Confident82Confident14 Ų1449.7 Ų49.76%0.05523%0.232CC..Hα-helixtrans-66-35.2-169.7-62.7-64.2000114.3K71 A76 Y77 L100 D108 L112K71-Y73 HydrophobicContact CB-CE2 3.99Å; K71-Y73 WeakPolarHBondContact O-CD2 3.25Å; K71-Y73 PolarHBondContact O-N 3.31Å; Y73-A76 WeakPolarHBondContact O-CB 3.5Å; Y73-A76 PolarHBondContact O-N 2.92Å; Y73-Y77 WeakPolarHBondContact O-CB 3.39Å; Y73-Y77 PolarHBondContact O-N 2.89Å; Y73-L100 HydrophobicContact CE1-CD1 4.13Å; Y73-D108 HydrophobicContact CD2-CB 4.24Å; Y73-D108 HydrophobicContact CE2-CB 3.55Å; Y73-L112 HydrophobicContact CD1-CD1 3.7Å; Y73-L112 HydrophobicContact CG-CD1 3.89Å
74E80Confident81.3Confident122 Ų12251.6 Ų51.657%0.5724%0.242SC*.Hα-helixtrans-64.6-43.3176.9-68.8175.8-165.900111.5M72 Y77 R78 A115M72-E74 PolarHBondContact O-N 3.4Å; E74-Y77 PolarHBondContact O-N 3.33Å; E74-R78 WeakPolarHBondContact O-CB 3.33Å; E74-R78 PolarHBondContact O-N 3.47Å; E74-A115 HydrophobicContact CG-CB 4.47Å
75D83.1Confident80.9Confident34 Ų3455.4 Ų55.418%0.18227%0.265CS..Hα-helixtrans-67.6-39.4175-63.4-75.2000111.7Y67 M72 Y77 R78 V79Y67-D75 HydrophobicContact CD1-CB 3.43Å; Y67-D75 VanDerWaalsContact CD1-CB 3.43Å; Y67-D75 HydrophobicContact CD2-CB 4.12Å; Y67-D75 HydrophobicContact CE1-CB 3.45Å; Y67-D75 VanDerWaalsContact CE1-CB 3.45Å; Y67-D75 HydrophobicContact CE2-CB 4.17Å; Y67-D75 HydrophobicContact CG-CB 3.77Å; M72-D75 HydrophobicContact CB-CB 4.37Å; M72-D75 WeakPolarHBondContact CE-OD2 3.4Å; M72-D75 PolarHBondContact O-N 3.02Å; D75-Y77 VanDerWaalsContact C-N 3.35Å; D75-Y77 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-N 2.92Å; D75-R78 IonicContact OD1-CZ 3.89Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 3.47Å; D75-R78 IonicContact OD1-NH2 3.18Å; D75-R78 PolarHBondContact OD1-NH2 3.43Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.41Å
76A82.5Confident80.2Confident0 Ų058.9 Ų58.90%028%0.283CS..Hα-helixtrans-58.4-47.6174.700000111.3V64 N68 M72 Y73 V79 A80 F93V64-A76 HydrophobicContact CG1-CB 4.39Å; N68-A76 WeakPolarHBondContact OD1-CB 3.47Å; M72-A76 PolarHBondContact O-N 3.38Å; Y73-A76 WeakPolarHBondContact O-CB 3.5Å; Y73-A76 PolarHBondContact O-N 2.92Å; A76-V79 PolarHBondContact O-N 3.15Å; A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.24Å; A76-A80 PolarHBondContact O-N 2.72Å; A76-F93 HydrophobicContact CB-CE1 4.23Å; A76-F93 HydrophobicContact CB-CZ 4.35Å
77Y81.5Confident79.2Confident34 Ų3464.2 Ų64.213%0.13331%0.312CS..Hα-helixtrans-64-45.7177-171.4-95.3000111.4Y73 E74 D75 V79 A80 C81 L89 F93 A115 M116Y73-Y77 WeakPolarHBondContact O-CB 3.39Å; Y73-Y77 PolarHBondContact O-N 2.89Å; E74-Y77 PolarHBondContact O-N 3.33Å; D75-Y77 VanDerWaalsContact C-N 3.35Å; D75-Y77 PolarHBondContact O-N 3.33Å; Y77-V79 VanDerWaalsContact C-N 3.32Å; Y77-V79 PolarHBondContact O-N 3.3Å; Y77-A80 WeakPolarHBondContact O-CB 3.46Å; Y77-A80 PolarHBondContact O-N 3.47Å; Y77-A80 VanDerWaalsContact O-N 3.13Å; Y77-C81 WeakPolarHBondContact CE1-SG 3.37Å; Y77-C81 PolarHBondContact O-N 2.67Å; Y77-C81 PolarHBondContact O-SG 3.42Å; Y77-L89 HydrophobicContact CD2-CD2 4.16Å; Y77-L89 HydrophobicContact CE2-CD2 3.29Å; Y77-L89 HydrophobicContact CE2-CG 4.31Å; Y77-L89 WeakPolarHBondContact OH-CD2 3.31Å; Y77-F93 AromaticContact CD2-CD1 3.99Å; Y77-F93 HydrophobicContact CD2-CD1 3.99Å; Y77-F93 HydrophobicContact CD2-CD2 4.34Å; Y77-F93 HydrophobicContact CD2-CE1 4.24Å; Y77-F93 HydrophobicContact CD2-CG 4.05Å; Y77-A115 HydrophobicContact CD1-CB 4.07Å; Y77-A115 WeakPolarHBondContact CD1-O 3.5Å; Y77-A115 WeakPolarHBondContact CE1-O 3.47Å; Y77-A115 HydrophobicContact CG-CB 3.96Å; Y77-M116 HydrophobicContact CD2-CG 3.92Å; Y77-M116 HydrophobicContact CE2-CB 4.15Å; Y77-M116 HydrophobicContact CE2-CG 3.49Å; Y77-M116 VanDerWaalsContact CE2-CG 3.49Å
78R84.9Confident78.5Confident103 Ų10369.9 Ų69.939%0.38934%0.339SS..Hα-helixtrans-56.8-43.4176.9-177.9-172.270.4-136.9-5.7112.6E51 E74 D75E51-R78 IonicContact OE2-NH2 3.18Å; E51-R78 PolarHBondContact OE2-NH2 3.23Å; E74-R78 WeakPolarHBondContact O-CB 3.33Å; E74-R78 PolarHBondContact O-N 3.47Å; D75-R78 PolarHBondContact O-N 2.92Å; D75-R78 IonicContact OD1-CZ 3.89Å; D75-R78 IonicContact OD1-NH1 2.71Å; D75-R78 PolarHBondContact OD1-NH1 3.47Å; D75-R78 IonicContact OD1-NH2 3.18Å; D75-R78 PolarHBondContact OD1-NH2 3.43Å
79V81.1Confident78.2Confident0 Ų068.9 Ų68.90%033%0.334CS..Hα-helixtrans-70-41.2177.8174.60000110.4E51 V64 Y67 D75 A76 Y77 C81 K82 C83E51-V79 HydrophobicContact CG-CG2 3.94Å; V64-V79 HydrophobicContact CG2-CB 4.35Å; V64-V79 HydrophobicContact CG2-CG1 4Å; Y67-V79 HydrophobicContact CD2-CG2 4.03Å; Y67-V79 HydrophobicContact CE2-CG2 3.75Å; D75-V79 WeakPolarHBondContact O-CG2 3.47Å; D75-V79 PolarHBondContact O-N 3.41Å; A76-V79 PolarHBondContact O-N 3.15Å; Y77-V79 VanDerWaalsContact C-N 3.32Å; Y77-V79 PolarHBondContact O-N 3.3Å; V79-C81 VanDerWaalsContact C-N 3.32Å; V79-C81 PolarHBondContact O-N 2.7Å; V79-K82 PolarHBondContact O-N 3.2Å; V79-K82 VanDerWaalsContact O-N 3.15Å; V79-C83 PolarHBondContact O-SG 3.38Å
80A79.6Confident77.7Confident0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-58.3-42.8175.900000112V64 A76 Y77 K82 C83 L84 L89 F93V64-A80 HydrophobicContact CG2-CB 4.06Å; A76-A80 VanDerWaalsContact O-CB 3.31Å; A76-A80 WeakPolarHBondContact O-CB 3.24Å; A76-A80 PolarHBondContact O-N 2.72Å; Y77-A80 WeakPolarHBondContact O-CB 3.46Å; Y77-A80 PolarHBondContact O-N 3.47Å; Y77-A80 VanDerWaalsContact O-N 3.13Å; A80-K82 PolarHBondContact O-N 3.03Å; A80-K82 VanDerWaalsContact O-N 3.1Å; A80-C83 PolarHBondContact O-N 3.28Å; A80-L84 HydrophobicContact CB-CD1 3.75Å; A80-L84 PolarHBondContact O-N 3.45Å; A80-L89 HydrophobicContact CB-CD1 3.74Å; A80-L89 HydrophobicContact CB-CG 4.3Å; A80-L89 WeakPolarHBondContact O-CD1 3.25Å; A80-F93 HydrophobicContact CB-CE2 3.41Å; A80-F93 VanDerWaalsContact CB-CE2 3.41Å; A80-F93 HydrophobicContact CB-CZ 3.71Å
81C78.7Confident77.5Confident61 Ų6165.1 Ų65.141%0.41233%0.325SS..Hα-helixtrans-58.5-25.3178.2-700000113.8Y77 V79 L89Y77-C81 WeakPolarHBondContact CE1-SG 3.37Å; Y77-C81 PolarHBondContact O-N 2.67Å; Y77-C81 PolarHBondContact O-SG 3.42Å; V79-C81 VanDerWaalsContact C-N 3.32Å; V79-C81 PolarHBondContact O-N 2.7Å; C81-L89 VanDerWaalsContact CA-CD1 3.43Å; C81-L89 HydrophobicContact CB-CD1 4.27Å; C81-L89 VanDerWaalsContact N-CD1 3.28Å
82K76.8Confident77.2Confident136 Ų13663.2 Ų63.259%0.59132%0.315SS*.THydrogen-bonded Turntrans-84.1-14.3178.1-64.2177.5-174171.10113.1E51 V79 A80E51-K82 IonicContact OE1-NZ 3.44Å; V79-K82 PolarHBondContact O-N 3.2Å; V79-K82 VanDerWaalsContact O-N 3.15Å; A80-K82 PolarHBondContact O-N 3.03Å; A80-K82 VanDerWaalsContact O-N 3.1Å
83C69.7Low77.2Confident34 Ų3460.2 Ų60.223%0.2330%0.3CS..THydrogen-bonded Turntrans-125.3-31.5-160.5-59.70000113.8Q60 V79 A80Q60-C83 HydrophobicContact CB-CB 3.8Å; Q60-C83 VanDerWaalsContact CB-SG 3.57Å; Q60-C83 HydrophobicContact CG-CB 4.03Å; Q60-C83 WeakPolarHBondContact CG-SG 3.43Å; V79-C83 PolarHBondContact O-SG 3.38Å; A80-C83 PolarHBondContact O-N 3.28Å
84L71.5Confident77.3Confident40 Ų4062.2 Ų62.221%0.20931%0.311CS..SBendtrans-107.2157.8-176.2-71.3145000110.6A80 E88 L89A80-L84 HydrophobicContact CB-CD1 3.75Å; A80-L84 PolarHBondContact O-N 3.45Å; L84-E88 HydrophobicContact CD2-CB 4.26Å; L84-L89 HydrophobicContact CB-CB 4.02Å; L84-L89 HydrophobicContact CB-CD1 4.29Å
85T74.8Confident77.5Confident81 Ų8162 Ų6250%0.49731%0.311SS..  trans-73.3151.3167.753.60000109.9D87 E88 L89T85-D87 PolarHBondContact O-N 3.16Å; T85-D87 VanDerWaalsContact O-N 3.13Å; T85-E88 PolarHBondContact O-N 3.38Å; T85-E88 WeakPolarHBondContact OG1-CG 3.04Å; T85-L89 VanDerWaalsContact O-CB 3.22Å; T85-L89 WeakPolarHBondContact O-CB 3.17Å; T85-L89 PolarHBondContact O-N 3.43Å
86D69.1Low77.5Confident122 Ų12262.6 Ų62.665%0.65231%0.312SS*.Hα-helixtrans-54.5-35.3-175.7-66.6-27.8000113N90D86-N90 WeakPolarHBondContact O-CB 3.44Å; D86-N90 VanDerWaalsContact O-CG 3.28Å; D86-N90 PolarHBondContact O-N 2.91Å; D86-N90 PolarHBondContact O-ND2 3.42Å
87D68.6Low77.6Confident126 Ų12662.6 Ų62.667%0.67431%0.312SS*.Hα-helixtrans-71.5-49.4179.7-66-27.8000112.3T85 L89 N90 D91T85-D87 PolarHBondContact O-N 3.16Å; T85-D87 VanDerWaalsContact O-N 3.13Å; D87-L89 PolarHBondContact O-N 3.24Å; D87-N90 PolarHBondContact O-N 3.38Å; D87-D91 PolarHBondContact O-N 3.29Å; D87-D91 VanDerWaalsContact O-N 3.09Å
88E73Confident77.8Confident120 Ų12061.9 Ų61.956%0.56132%0.315SS*.Hα-helixtrans-66.2-30.8178.8-68.8179.3176.400112L84 T85 R92L84-E88 HydrophobicContact CD2-CB 4.26Å; T85-E88 PolarHBondContact O-N 3.38Å; T85-E88 WeakPolarHBondContact OG1-CG 3.04Å; E88-R92 WeakPolarHBondContact O-CB 3.23Å; E88-R92 PolarHBondContact O-N 3.41Å
89L74.4Confident77.9Confident2 Ų262.5 Ų62.51%0.0132%0.321CS..Hα-helixtrans-70.4-48.4177.1-177.1146.6000111.2Y77 A80 C81 L84 T85 D87 F93Y77-L89 HydrophobicContact CD2-CD2 4.16Å; Y77-L89 HydrophobicContact CE2-CD2 3.29Å; Y77-L89 HydrophobicContact CE2-CG 4.31Å; Y77-L89 WeakPolarHBondContact OH-CD2 3.31Å; A80-L89 HydrophobicContact CB-CD1 3.74Å; A80-L89 HydrophobicContact CB-CG 4.3Å; A80-L89 WeakPolarHBondContact O-CD1 3.25Å; C81-L89 VanDerWaalsContact CA-CD1 3.43Å; C81-L89 HydrophobicContact CB-CD1 4.27Å; C81-L89 VanDerWaalsContact N-CD1 3.28Å; L84-L89 HydrophobicContact CB-CB 4.02Å; L84-L89 HydrophobicContact CB-CD1 4.29Å; T85-L89 VanDerWaalsContact O-CB 3.22Å; T85-L89 WeakPolarHBondContact O-CB 3.17Å; T85-L89 PolarHBondContact O-N 3.43Å; D87-L89 PolarHBondContact O-N 3.24Å; L89-F93 HydrophobicContact CG-CD2 4.3Å; L89-F93 VanDerWaalsContact O-CD2 3.27Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å; L89-F93 PolarHBondContact O-N 3.03Å; L89-F93 VanDerWaalsContact O-N 3.13Å
90N73.8Confident78.1Confident44 Ų4463.3 Ų63.324%0.23533%0.325CS..Hα-helixtrans-64.8-43.4179.1-75.4-34.7000112D86 D87 R92 F93 L94D86-N90 WeakPolarHBondContact O-CB 3.44Å; D86-N90 VanDerWaalsContact O-CG 3.28Å; D86-N90 PolarHBondContact O-N 2.91Å; D86-N90 PolarHBondContact O-ND2 3.42Å; D87-N90 PolarHBondContact O-N 3.38Å; N90-R92 PolarHBondContact O-N 2.74Å; N90-F93 PolarHBondContact O-N 3.37Å; N90-L94 VanDerWaalsContact O-CB 3.25Å; N90-L94 WeakPolarHBondContact O-CB 3.49Å; N90-L94 VanDerWaalsContact O-CG 3.23Å; N90-L94 WeakPolarHBondContact O-CG 3.34Å; N90-L94 PolarHBondContact O-N 3.15Å
91D78.6Confident78.5Confident115 Ų11566.4 Ų66.462%0.61534%0.34SS*.Hα-helixtrans-61.8-45.3-180-77.9-13.4000112D87 E95D87-D91 PolarHBondContact O-N 3.29Å; D87-D91 VanDerWaalsContact O-N 3.09Å; D91-E95 PolarHBondContact O-N 2.88Å; D91-E95 VanDerWaalsContact O-N 3.1Å
92R77.2Confident78.9Confident77 Ų7772.7 Ų72.729%0.29136%0.36SS..Hα-helixtrans-66-44.9-178.7-173.4173179169.4-2.5112.2D65 E88 N90 E95 E96D65-R92 IonicContact OD1-NH2 2.87Å; D65-R92 PolarHBondContact OD1-NH2 2.84Å; E88-R92 WeakPolarHBondContact O-CB 3.23Å; E88-R92 PolarHBondContact O-N 3.41Å; N90-R92 PolarHBondContact O-N 2.74Å; R92-E95 PolarHBondContact O-N 3.5Å; R92-E96 PolarHBondContact O-N 3.42Å; R92-E96 VanDerWaalsContact O-N 3.1Å
93F81.6Confident79.4Confident0 Ų069.5 Ų69.50%036%0.355CS..Hα-helixtrans-76.6-30.2-178-79.6-94.2000112.5V64 A76 Y77 A80 L89 N90 E96 A97 L112 M116V64-F93 HydrophobicContact CG1-CE2 4.42Å; V64-F93 HydrophobicContact CG1-CZ 3.9Å; A76-F93 HydrophobicContact CB-CE1 4.23Å; A76-F93 HydrophobicContact CB-CZ 4.35Å; Y77-F93 AromaticContact CD2-CD1 3.99Å; Y77-F93 HydrophobicContact CD2-CD1 3.99Å; Y77-F93 HydrophobicContact CD2-CD2 4.34Å; Y77-F93 HydrophobicContact CD2-CE1 4.24Å; Y77-F93 HydrophobicContact CD2-CG 4.05Å; A80-F93 HydrophobicContact CB-CE2 3.41Å; A80-F93 VanDerWaalsContact CB-CE2 3.41Å; A80-F93 HydrophobicContact CB-CZ 3.71Å; L89-F93 HydrophobicContact CG-CD2 4.3Å; L89-F93 VanDerWaalsContact O-CD2 3.27Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å; L89-F93 PolarHBondContact O-N 3.03Å; L89-F93 VanDerWaalsContact O-N 3.13Å; N90-F93 PolarHBondContact O-N 3.37Å; F93-E96 PolarHBondContact O-N 3.11Å; F93-A97 WeakPolarHBondContact O-CB 3.43Å; F93-A97 PolarHBondContact O-N 3.41Å; F93-L112 HydrophobicContact CB-CD2 4.49Å; F93-L112 HydrophobicContact CD1-CD1 3.63Å; F93-L112 HydrophobicContact CD1-CD2 4.14Å; F93-L112 HydrophobicContact CD1-CG 3.96Å; F93-L112 HydrophobicContact CE1-CD1 4.02Å; F93-L112 VanDerWaalsContact O-CD2 3.22Å; F93-L112 WeakPolarHBondContact O-CD2 3.46Å; F93-M116 HydrophobicContact CB-CE 4.05Å; F93-M116 HydrophobicContact CB-CG 4.24Å; F93-M116 HydrophobicContact CB-SD 3.67Å
94L83Confident80.1Confident55 Ų5570.4 Ų70.429%0.28837%0.37SS..Hα-helixtrans-63.8-42.6169.5-78.7173.3000111.9N90 E96 A97 G98 Y113 M116N90-L94 VanDerWaalsContact O-CB 3.25Å; N90-L94 WeakPolarHBondContact O-CB 3.49Å; N90-L94 VanDerWaalsContact O-CG 3.23Å; N90-L94 WeakPolarHBondContact O-CG 3.34Å; N90-L94 PolarHBondContact O-N 3.15Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-A97 PolarHBondContact O-N 3.29Å; L94-G98 PolarHBondContact O-N 2.95Å; L94-Y113 HydrophobicContact CD2-CE1 4.16Å; L94-M116 HydrophobicContact CB-CE 4.44Å; L94-M116 HydrophobicContact CD2-CE 3.78Å; L94-M116 HydrophobicContact CD2-SD 4.41Å; L94-M116 HydrophobicContact CG-CE 3.55Å
95E84.2Confident80.7Confident119 Ų11972.3 Ų72.356%0.55637%0.374SS*.Hα-helixtrans-65.9-38.8178.1-159.4-164.414800111.5D91 R92 K99D91-E95 PolarHBondContact O-N 2.88Å; D91-E95 VanDerWaalsContact O-N 3.1Å; R92-E95 PolarHBondContact O-N 3.5Å; E95-K99 WeakPolarHBondContact O-CG 3.47Å; E95-K99 PolarHBondContact O-N 3.22Å; E95-K99 WeakPolarHBondContact OE1-CE 3.28Å; E95-K99 IonicContact OE1-NZ 3.92Å; E95-K99 PolarHBondContact OE1-NZ 2.84Å
96E83.4Confident81.3Confident45 Ų4569.6 Ų69.621%0.2136%0.356CS..Hα-helixtrans-66.2-43.1173.4-75.9-169.6-178.800112.4N68 R92 F93 L94 G98 K99 L100 L112N68-E96 VanDerWaalsContact ND2-CD 3.34Å; N68-E96 PolarHBondContact ND2-OE1 3.06Å; N68-E96 VanDerWaalsContact ND2-OE1 3.14Å; N68-E96 PolarHBondContact ND2-OE2 3.12Å; R92-E96 PolarHBondContact O-N 3.42Å; R92-E96 VanDerWaalsContact O-N 3.1Å; F93-E96 PolarHBondContact O-N 3.11Å; L94-E96 VanDerWaalsContact C-N 3.34Å; E96-G98 VanDerWaalsContact C-N 3.34Å; E96-G98 PolarHBondContact O-N 3.02Å; E96-K99 WeakPolarHBondContact O-CB 3.39Å; E96-K99 PolarHBondContact O-N 3.15Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.13Å; E96-L112 HydrophobicContact CB-CD2 3.98Å
97A84.2Confident82.1Confident0 Ų071.3 Ų71.30%036%0.358CS..Hα-helixtrans-58.7-45.6174.200000111.3F93 L94 K99 L100 E101 L112 Y113F93-A97 WeakPolarHBondContact O-CB 3.43Å; F93-A97 PolarHBondContact O-N 3.41Å; L94-A97 PolarHBondContact O-N 3.29Å; A97-K99 VanDerWaalsContact C-N 3.29Å; A97-K99 PolarHBondContact O-N 2.99Å; A97-L100 WeakPolarHBondContact O-CA 3.31Å; A97-L100 WeakPolarHBondContact O-CB 3.46Å; A97-L100 PolarHBondContact O-N 2.98Å; A97-E101 PolarHBondContact O-N 3.24Å; A97-L112 HydrophobicContact CB-CD2 3.8Å; A97-Y113 HydrophobicContact CB-CD1 4.07Å; A97-Y113 HydrophobicContact CB-CE1 3.48Å; A97-Y113 VanDerWaalsContact CB-CE1 3.48Å; A97-Y113 HydrophobicContact CB-CE2 3.99Å; A97-Y113 VanDerWaalsContact CB-CZ 3.43Å
98G85.1Confident82.9Confident19 Ų1966.6 Ų66.620%0.19633%0.333CS..Hα-helixtrans-65.7-29.8178.700000113.4L94 E96 K102L94-G98 PolarHBondContact O-N 2.95Å; E96-G98 VanDerWaalsContact C-N 3.34Å; E96-G98 PolarHBondContact O-N 3.02Å; G98-K102 VanDerWaalsContact O-CG 3.31Å; G98-K102 WeakPolarHBondContact O-CG 3.37Å; G98-K102 PolarHBondContact O-N 3.01Å; G98-K102 VanDerWaalsContact O-N 3.15Å
99K87.1Confident83.6Confident116 Ų11660.9 Ų60.950%0.50431%0.306SS..Hα-helixtrans-68.3-40.8170.2-74.2166.9-173.5161.50111.2E95 E96 A97 K102 S103E95-K99 WeakPolarHBondContact O-CG 3.47Å; E95-K99 PolarHBondContact O-N 3.22Å; E95-K99 WeakPolarHBondContact OE1-CE 3.28Å; E95-K99 IonicContact OE1-NZ 3.92Å; E95-K99 PolarHBondContact OE1-NZ 2.84Å; E96-K99 WeakPolarHBondContact O-CB 3.39Å; E96-K99 PolarHBondContact O-N 3.15Å; A97-K99 VanDerWaalsContact C-N 3.29Å; A97-K99 PolarHBondContact O-N 2.99Å; K99-K102 PolarHBondContact O-N 3.42Å; K99-S103 WeakPolarHBondContact O-CB 3.34Å; K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 3.23Å
100L86.5Confident84.2Confident18 Ų1861.8 Ų61.89%0.09431%0.31CS..Hα-helixtrans-65.2-43.1177-70.1170.6000111.7Y73 E96 A97 S103 G104 R105 D108 A109 L112Y73-L100 HydrophobicContact CE1-CD1 4.13Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.13Å; A97-L100 WeakPolarHBondContact O-CA 3.31Å; A97-L100 WeakPolarHBondContact O-CB 3.46Å; A97-L100 PolarHBondContact O-N 2.98Å; L100-S103 WeakPolarHBondContact CA-OG 3.36Å; L100-S103 PolarHBondContact O-N 3.1Å; L100-S103 VanDerWaalsContact O-N 3.14Å; L100-S103 PolarHBondContact O-OG 3.45Å; L100-G104 PolarHBondContact O-N 3.43Å; L100-R105 HydrophobicContact CD2-CB 4.29Å; L100-R105 PolarHBondContact O-N 3.14Å; L100-R105 VanDerWaalsContact O-N 3.09Å; L100-D108 HydrophobicContact CD1-CB 4.13Å; L100-D108 HydrophobicContact CD2-CB 4.33Å; L100-A109 HydrophobicContact CB-CB 3.9Å; L100-L112 HydrophobicContact CD1-CD2 4.46Å
101E87.8Confident84.8Confident65 Ų6564.3 Ų64.330%0.30432%0.319SS..Hα-helixtrans-57.4-49.9174.3-179.5178.4-165.700111.3A97 S103 G104 M125A97-E101 PolarHBondContact O-N 3.24Å; E101-S103 PolarHBondContact O-N 2.94Å; E101-G104 PolarHBondContact O-N 2.99Å; E101-M125 HydrophobicContact CG-CG 3.93Å
102K86.9Confident85Confident192 Ų19258.9 Ų58.984%0.83529%0.29SS*.Hα-helixtrans-63-27.2177.2-72.6174.5-176.3176.20113.7G98 K99 G104G98-K102 VanDerWaalsContact O-CG 3.31Å; G98-K102 WeakPolarHBondContact O-CG 3.37Å; G98-K102 PolarHBondContact O-N 3.01Å; G98-K102 VanDerWaalsContact O-N 3.15Å; K99-K102 PolarHBondContact O-N 3.42Å; K102-G104 VanDerWaalsContact C-N 3.28Å
103S86.5Confident85.5Confident70 Ų7055.8 Ų55.849%0.4928%0.278SS..THydrogen-bonded Turntrans-82.6-1.3175.673.10000113.9K99 L100 E101 R105K99-S103 WeakPolarHBondContact O-CB 3.34Å; K99-S103 PolarHBondContact O-N 3.01Å; K99-S103 PolarHBondContact O-OG 3.23Å; L100-S103 WeakPolarHBondContact CA-OG 3.36Å; L100-S103 PolarHBondContact O-N 3.1Å; L100-S103 VanDerWaalsContact O-N 3.14Å; L100-S103 PolarHBondContact O-OG 3.45Å; E101-S103 PolarHBondContact O-N 2.94Å; S103-R105 PolarHBondContact O-N 3.32Å
104G84.1Confident85.6Confident53 Ų5357.4 Ų57.455%0.54629%0.29SS..THydrogen-bonded Turntrans76.44.3-177.200000114.6L100 E101 K102 L106L100-G104 PolarHBondContact O-N 3.43Å; E101-G104 PolarHBondContact O-N 2.99Å; K102-G104 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.28Å
105R85Confident85.5Confident80 Ų8055.8 Ų55.830%0.30228%0.284SS..  trans-84.661.6-180-67.7-176.364.9-165.7-5.3111.5K71 L100 S103 K107 D108 A109K71-R105 VanDerWaalsContact CD-NH2 3.28Å; K71-R105 VanDerWaalsContact CE-NH2 3.3Å; L100-R105 HydrophobicContact CD2-CB 4.29Å; L100-R105 PolarHBondContact O-N 3.14Å; L100-R105 VanDerWaalsContact O-N 3.09Å; S103-R105 PolarHBondContact O-N 3.32Å; R105-K107 PolarHBondContact O-N 3.36Å; R105-D108 HydrophobicContact CB-CB 4.35Å; R105-D108 IonicContact CZ-OD2 3.03Å; R105-D108 IonicContact NE-OD2 2.66Å; R105-D108 PolarHBondContact NE-OD2 3.36Å; R105-D108 VanDerWaalsContact NH2-CG 3.35Å; R105-D108 IonicContact NH2-OD1 2.77Å; R105-D108 IonicContact NH2-OD2 2.63Å; R105-D108 PolarHBondContact NH2-OD2 3.22Å; R105-D108 PolarHBondContact O-N 2.87Å; R105-D108 VanDerWaalsContact O-N 3.16Å; R105-A109 PolarHBondContact O-N 2.88Å; R105-A109 VanDerWaalsContact O-N 3.12Å
106L87.9Confident85.3Confident23 Ų2350.5 Ų50.512%0.1226%0.259CS..Hα-helixtrans-59.8-40.3-172-56.3-178.5000113.4G104 D108 A109 E110 M125 Y126 A129G104-L106 PolarHBondContact O-N 3.28Å; L106-D108 VanDerWaalsContact C-N 3.28Å; L106-D108 PolarHBondContact O-N 3.49Å; L106-A109 PolarHBondContact O-N 3.46Å; L106-E110 WeakPolarHBondContact O-CB 2.98Å; L106-E110 PolarHBondContact O-N 3.11Å; L106-M125 HydrophobicContact CB-CE 3.88Å; L106-M125 HydrophobicContact CB-SD 4.21Å; L106-M125 HydrophobicContact CD2-CE 4.33Å; L106-M125 HydrophobicContact CD2-CG 3.83Å; L106-M125 HydrophobicContact CD2-SD 3.75Å; L106-M125 WeakPolarHBondContact O-CE 3.32Å; L106-Y126 HydrophobicContact CB-CE1 3.87Å; L106-Y126 HydrophobicContact CD1-CD1 4.34Å; L106-Y126 HydrophobicContact CD1-CE1 4.27Å; L106-A129 HydrophobicContact CD1-CB 3.6Å
107K86.4Confident85Confident159 Ų15956.2 Ų56.269%0.69129%0.286SS*.Hα-helixtrans-63-33.8178.5-67.5-172.9178.9-176.40113.1R105 K111R105-K107 PolarHBondContact O-N 3.36Å; K107-K111 WeakPolarHBondContact O-CG 3.48Å; K107-K111 PolarHBondContact O-N 3.39Å
108D84.2Confident85Confident26 Ų2658.8 Ų58.814%0.13930%0.298CS..Hα-helixtrans-77.1-38.6178.6-64.8-47.2000110.9Y73 L100 R105 L106 E110 K111 L112Y73-D108 HydrophobicContact CD2-CB 4.24Å; Y73-D108 HydrophobicContact CE2-CB 3.55Å; L100-D108 HydrophobicContact CD1-CB 4.13Å; L100-D108 HydrophobicContact CD2-CB 4.33Å; R105-D108 HydrophobicContact CB-CB 4.35Å; R105-D108 IonicContact CZ-OD2 3.03Å; R105-D108 IonicContact NE-OD2 2.66Å; R105-D108 PolarHBondContact NE-OD2 3.36Å; R105-D108 VanDerWaalsContact NH2-CG 3.35Å; R105-D108 IonicContact NH2-OD1 2.77Å; R105-D108 IonicContact NH2-OD2 2.63Å; R105-D108 PolarHBondContact NH2-OD2 3.22Å; R105-D108 PolarHBondContact O-N 2.87Å; R105-D108 VanDerWaalsContact O-N 3.16Å; L106-D108 VanDerWaalsContact C-N 3.28Å; L106-D108 PolarHBondContact O-N 3.49Å; D108-E110 VanDerWaalsContact C-N 3.34Å; D108-K111 PolarHBondContact O-N 3.12Å; D108-L112 PolarHBondContact O-N 3.49Å; D108-L112 VanDerWaalsContact O-N 3.14Å
109A87.2Confident84.9Confident0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-61.6-41.8170.600000111.5L100 R105 L106 K111 L112 Y113 M125L100-A109 HydrophobicContact CB-CB 3.9Å; R105-A109 PolarHBondContact O-N 2.88Å; R105-A109 VanDerWaalsContact O-N 3.12Å; L106-A109 PolarHBondContact O-N 3.46Å; A109-K111 PolarHBondContact O-N 3.46Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-Y113 HydrophobicContact CB-CD2 4.36Å; A109-Y113 HydrophobicContact CB-CE2 4.14Å; A109-Y113 WeakPolarHBondContact O-CD2 3.46Å; A109-Y113 PolarHBondContact O-N 3.02Å; A109-M125 HydrophobicContact CB-SD 3.59Å; A109-M125 VanDerWaalsContact CB-SD 3.59Å
110E88.7Confident84.8Confident22 Ų2257.8 Ų57.810%0.10330%0.295CS..Hα-helixtrans-56.8-49.6174.5179.7-168158.600111.6L106 D108 L112 Y113 C114 A122 M125 Y126 R137 L138L106-E110 WeakPolarHBondContact O-CB 2.98Å; L106-E110 PolarHBondContact O-N 3.11Å; D108-E110 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 2.93Å; E110-Y113 PolarHBondContact O-N 3.3Å; E110-C114 WeakPolarHBondContact O-CB 3.5Å; E110-C114 PolarHBondContact O-N 3.36Å; E110-C114 PolarHBondContact O-SG 3.48Å; E110-A122 HydrophobicContact CG-CB 4.41Å; E110-M125 HydrophobicContact CB-CE 4.45Å; E110-Y126 HydrophobicContact CB-CE2 4.08Å; E110-Y126 HydrophobicContact CG-CE2 4.06Å; E110-Y126 VanDerWaalsContact OE2-CE2 3.29Å; E110-Y126 WeakPolarHBondContact OE2-CE2 3.31Å; E110-Y126 VanDerWaalsContact OE2-CZ 3.32Å; E110-Y126 PolarHBondContact OE2-OH 2.92Å; E110-R137 IonicContact OE1-CZ 2.91Å; E110-R137 VanDerWaalsContact OE1-CZ 3.28Å; E110-R137 IonicContact OE1-NH1 3.23Å; E110-R137 PolarHBondContact OE1-NH1 3.23Å; E110-R137 IonicContact OE1-NH2 2.94Å; E110-R137 PolarHBondContact OE1-NH2 3.4Å; E110-R137 IonicContact OE2-NH2 2.9Å; E110-R137 PolarHBondContact OE2-NH2 3.09Å; E110-L138 HydrophobicContact CG-CD1 4.37Å; E110-L138 HydrophobicContact CG-CD2 4.18Å
111K85.3Confident84.8Confident97 Ų9761 Ų6142%0.42231%0.309SS..Hα-helixtrans-57-41.5177.5-72.3173.9-177.6178.10111.5K107 D108 A109 A115K107-K111 WeakPolarHBondContact O-CG 3.48Å; K107-K111 PolarHBondContact O-N 3.39Å; D108-K111 PolarHBondContact O-N 3.12Å; A109-K111 PolarHBondContact O-N 3.46Å; K111-A115 VanDerWaalsContact O-CB 3.27Å; K111-A115 WeakPolarHBondContact O-CB 3.32Å; K111-A115 PolarHBondContact O-N 2.83Å
112L83.4Confident84.8Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-65.1-51177-146.973.4000111.3Y73 F93 E96 A97 L100 D108 A109 E110 C114 A115 M116Y73-L112 HydrophobicContact CD1-CD1 3.7Å; Y73-L112 HydrophobicContact CG-CD1 3.89Å; F93-L112 HydrophobicContact CB-CD2 4.49Å; F93-L112 HydrophobicContact CD1-CD1 3.63Å; F93-L112 HydrophobicContact CD1-CD2 4.14Å; F93-L112 HydrophobicContact CD1-CG 3.96Å; F93-L112 HydrophobicContact CE1-CD1 4.02Å; F93-L112 VanDerWaalsContact O-CD2 3.22Å; F93-L112 WeakPolarHBondContact O-CD2 3.46Å; E96-L112 HydrophobicContact CB-CD2 3.98Å; A97-L112 HydrophobicContact CB-CD2 3.8Å; L100-L112 HydrophobicContact CD1-CD2 4.46Å; D108-L112 PolarHBondContact O-N 3.49Å; D108-L112 VanDerWaalsContact O-N 3.14Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 2.9Å; E110-L112 PolarHBondContact O-N 2.93Å; L112-C114 VanDerWaalsContact C-N 3.32Å; L112-C114 PolarHBondContact O-N 3.49Å; L112-A115 WeakPolarHBondContact O-CB 3.45Å; L112-A115 PolarHBondContact O-N 2.75Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 WeakPolarHBondContact O-CG 3.33Å; L112-M116 PolarHBondContact O-N 3.33Å
113Y86.9Confident84.7Confident12 Ų1249.9 Ų49.95%0.04726%0.26CS..Hα-helixtrans-61.1-38.5178.9-74.1-51.1000113L94 A97 A109 E110 M116 Q117 Q118 H121 A122 M125L94-Y113 HydrophobicContact CD2-CE1 4.16Å; A97-Y113 HydrophobicContact CB-CD1 4.07Å; A97-Y113 HydrophobicContact CB-CE1 3.48Å; A97-Y113 VanDerWaalsContact CB-CE1 3.48Å; A97-Y113 HydrophobicContact CB-CE2 3.99Å; A97-Y113 VanDerWaalsContact CB-CZ 3.43Å; A109-Y113 HydrophobicContact CB-CD2 4.36Å; A109-Y113 HydrophobicContact CB-CE2 4.14Å; A109-Y113 WeakPolarHBondContact O-CD2 3.46Å; A109-Y113 PolarHBondContact O-N 3.02Å; E110-Y113 PolarHBondContact O-N 3.3Å; Y113-M116 PolarHBondContact O-N 3.01Å; Y113-Q117 PolarHBondContact O-N 3.04Å; Y113-Q118 CarbonylContact O-C 3.56Å; Y113-Q118 PolarHBondContact O-N 3.07Å; Y113-H121 HydrophobicContact CD1-CB 3.44Å; Y113-H121 VanDerWaalsContact CD1-CB 3.44Å; Y113-H121 HydrophobicContact CD2-CB 4.32Å; Y113-H121 HydrophobicContact CE1-CB 3.4Å; Y113-H121 VanDerWaalsContact CE1-CB 3.4Å; Y113-H121 HydrophobicContact CE2-CB 4.28Å; Y113-H121 HydrophobicContact CG-CB 3.93Å; Y113-A122 HydrophobicContact CD2-CB 3.99Å; Y113-A122 HydrophobicContact CG-CB 4.27Å; Y113-M125 HydrophobicContact CD2-SD 4.49Å; Y113-M125 HydrophobicContact CE2-SD 4.11Å
114C84.2Confident84.8Confident35 Ų3548.8 Ų48.824%0.23626%0.256CS..Hα-helixtrans-68.1-42.4175.4-67.30000111.3E110 L112 M116 Q117 F142E110-C114 WeakPolarHBondContact O-CB 3.5Å; E110-C114 PolarHBondContact O-N 3.36Å; E110-C114 PolarHBondContact O-SG 3.48Å; L112-C114 VanDerWaalsContact C-N 3.32Å; L112-C114 PolarHBondContact O-N 3.49Å; C114-M116 VanDerWaalsContact C-N 3.25Å; C114-M116 PolarHBondContact O-N 3.35Å; C114-Q117 PolarHBondContact O-N 3.02Å; C114-F142 HydrophobicContact CB-CZ 4.41Å
115A80.6Confident85Confident21 Ų2146.4 Ų46.417%0.17423%0.23CC..Hα-helixtrans-60.1-38.3174.200000111.6E74 Y77 K111 L112 Q117E74-A115 HydrophobicContact CG-CB 4.47Å; Y77-A115 HydrophobicContact CD1-CB 4.07Å; Y77-A115 WeakPolarHBondContact CD1-O 3.5Å; Y77-A115 WeakPolarHBondContact CE1-O 3.47Å; Y77-A115 HydrophobicContact CG-CB 3.96Å; K111-A115 VanDerWaalsContact O-CB 3.27Å; K111-A115 WeakPolarHBondContact O-CB 3.32Å; K111-A115 PolarHBondContact O-N 2.83Å; L112-A115 WeakPolarHBondContact O-CB 3.45Å; L112-A115 PolarHBondContact O-N 2.75Å; A115-Q117 PolarHBondContact O-N 3.13Å
116M79.8Confident85.2Confident7 Ų742.7 Ų42.73%0.03422%0.216CC..THydrogen-bonded Turntrans-70.4-2.5174.8-66.8178.672.400114.9Y77 F93 L94 L112 Y113 C114 Q118Y77-M116 HydrophobicContact CD2-CG 3.92Å; Y77-M116 HydrophobicContact CE2-CB 4.15Å; Y77-M116 HydrophobicContact CE2-CG 3.49Å; Y77-M116 VanDerWaalsContact CE2-CG 3.49Å; F93-M116 HydrophobicContact CB-CE 4.05Å; F93-M116 HydrophobicContact CB-CG 4.24Å; F93-M116 HydrophobicContact CB-SD 3.67Å; L94-M116 HydrophobicContact CB-CE 4.44Å; L94-M116 HydrophobicContact CD2-CE 3.78Å; L94-M116 HydrophobicContact CD2-SD 4.41Å; L94-M116 HydrophobicContact CG-CE 3.55Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 WeakPolarHBondContact O-CG 3.33Å; L112-M116 PolarHBondContact O-N 3.33Å; Y113-M116 PolarHBondContact O-N 3.01Å; C114-M116 VanDerWaalsContact C-N 3.25Å; C114-M116 PolarHBondContact O-N 3.35Å; M116-Q118 HydrophobicContact CB-CG 4.46Å; M116-Q118 PolarHBondContact O-N 3.37Å
117Q78.5Confident85.2Confident166 Ų16646.1 Ų46.178%0.77623%0.23SC*.THydrogen-bonded Turntrans56.229-172-54.2-176.88.500113.6Y113 C114 A115 P119Y113-Q117 PolarHBondContact O-N 3.04Å; C114-Q117 PolarHBondContact O-N 3.02Å; A115-Q117 PolarHBondContact O-N 3.13Å; Q117-P119 WeakPolarHBondContact O-CD 3.46Å
118Q83.6Confident85.2Confident54 Ų5444.7 Ų44.725%0.25223%0.23SC..  trans-117.164.8177.4-65.3-172.10.400111.2Y113 M116 N120 H121Y113-Q118 CarbonylContact O-C 3.56Å; Y113-Q118 PolarHBondContact O-N 3.07Å; M116-Q118 HydrophobicContact CB-CG 4.46Å; M116-Q118 PolarHBondContact O-N 3.37Å; Q118-N120 PolarHBondContact O-N 3.28Å; Q118-N120 VanDerWaalsContact O-N 3.16Å; Q118-H121 PolarHBondContact O-N 2.59Å; Q118-H121 PolarHBondContact OE1-CE1 3.33Å; Q118-H121 PolarHBondContact OE1-ND1 2.92Å
119P82.6Confident85.2Confident14 Ų1445.7 Ų45.79%0.09124%0.242CC..Hα-helixtrans-62-26.4-176.827.4-36.1000112.8Q117 H121 A122 I123 F142Q117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-H121 VanDerWaalsContact C-N 3.26Å; P119-H121 PolarHBondContact O-N 2.75Å; P119-A122 WeakPolarHBondContact O-CB 3.37Å; P119-A122 PolarHBondContact O-N 2.89Å; P119-A122 VanDerWaalsContact O-N 3.09Å; P119-I123 VanDerWaalsContact O-CG1 3.32Å; P119-I123 WeakPolarHBondContact O-CG1 3.48Å; P119-I123 PolarHBondContact O-N 2.63Å; P119-F142 HydrophobicContact CB-CB 3.87Å; P119-F142 HydrophobicContact CB-CD1 3.9Å; P119-F142 HydrophobicContact CB-CD2 3.47Å; P119-F142 VanDerWaalsContact CB-CD2 3.47Å; P119-F142 HydrophobicContact CB-CE1 4.3Å; P119-F142 HydrophobicContact CB-CE2 3.92Å; P119-F142 HydrophobicContact CB-CG 3.46Å; P119-F142 VanDerWaalsContact CB-CG 3.46Å; P119-F142 HydrophobicContact CB-CZ 4.3Å; P119-F142 HydrophobicContact CG-CB 3.85Å; P119-F142 HydrophobicContact CG-CD1 3.83Å; P119-F142 HydrophobicContact CG-CD2 4.25Å; P119-F142 HydrophobicContact CG-CE1 4.44Å; P119-F142 HydrophobicContact CG-CG 3.72Å
120N85.5Confident85Confident100 Ų10047.9 Ų47.954%0.53526%0.264SS..Hα-helixtrans-59.3-33.2177.5-70.9-31000113.5Q118 A124 H143Q118-N120 PolarHBondContact O-N 3.28Å; Q118-N120 VanDerWaalsContact O-N 3.16Å; N120-A124 WeakPolarHBondContact O-CB 3.29Å; N120-A124 PolarHBondContact O-N 3.4Å; N120-H143 PolarHBondContact OD1-NE2 2.89Å
121H86.3Confident84.8Confident86 Ų8650.9 Ų50.940%0.39828%0.279SS..Hα-helixtrans-70.8-39.8175.2-71.196.7000111.5Y113 Q118 P119 A124 M125Y113-H121 HydrophobicContact CD1-CB 3.44Å; Y113-H121 VanDerWaalsContact CD1-CB 3.44Å; Y113-H121 HydrophobicContact CD2-CB 4.32Å; Y113-H121 HydrophobicContact CE1-CB 3.4Å; Y113-H121 VanDerWaalsContact CE1-CB 3.4Å; Y113-H121 HydrophobicContact CE2-CB 4.28Å; Y113-H121 HydrophobicContact CG-CB 3.93Å; Q118-H121 PolarHBondContact O-N 2.59Å; Q118-H121 PolarHBondContact OE1-CE1 3.33Å; Q118-H121 PolarHBondContact OE1-ND1 2.92Å; P119-H121 VanDerWaalsContact C-N 3.26Å; P119-H121 PolarHBondContact O-N 2.75Å; H121-A124 PolarHBondContact O-N 2.87Å; H121-M125 VanDerWaalsContact O-CB 3.27Å; H121-M125 WeakPolarHBondContact O-CB 3.43Å; H121-M125 PolarHBondContact O-N 3.05Å
122A87.1Confident84.8Confident0 Ų047.2 Ų47.20%026%0.263CS..Hα-helixtrans-65.9-39.1174.300000112.1E110 Y113 P119 M125 Y126 L138E110-A122 HydrophobicContact CG-CB 4.41Å; Y113-A122 HydrophobicContact CD2-CB 3.99Å; Y113-A122 HydrophobicContact CG-CB 4.27Å; P119-A122 WeakPolarHBondContact O-CB 3.37Å; P119-A122 PolarHBondContact O-N 2.89Å; P119-A122 VanDerWaalsContact O-N 3.09Å; A122-M125 WeakPolarHBondContact O-CB 3.23Å; A122-M125 PolarHBondContact O-N 3.09Å; A122-Y126 VanDerWaalsContact O-CD2 3.27Å; A122-Y126 WeakPolarHBondContact O-CD2 3.39Å; A122-Y126 PolarHBondContact O-N 2.66Å; A122-L138 HydrophobicContact CB-CD1 3.57Å
123I86.1Confident84.9Confident22 Ų2252.9 Ų52.911%0.11329%0.293CS..Hα-helixtrans-62.4-47.3174.4-67.9164.2000110.3P119 M125 Y126 K127 M135 L138 I139P119-I123 VanDerWaalsContact O-CG1 3.32Å; P119-I123 WeakPolarHBondContact O-CG1 3.48Å; P119-I123 PolarHBondContact O-N 2.63Å; I123-M125 PolarHBondContact O-N 3.38Å; I123-Y126 PolarHBondContact O-N 3.14Å; I123-K127 WeakPolarHBondContact O-CB 3.45Å; I123-K127 PolarHBondContact O-N 2.9Å; I123-M135 HydrophobicContact CG2-CG 3.79Å; I123-M135 HydrophobicContact CG2-SD 4.43Å; I123-L138 HydrophobicContact CD1-CB 4.37Å; I123-L138 HydrophobicContact CG1-CB 3.73Å; I123-L138 HydrophobicContact CG1-CD1 4.16Å; I123-I139 HydrophobicContact CD1-CG1 3.79Å; I123-I139 HydrophobicContact CG1-CG1 4.07Å; I123-I139 HydrophobicContact CG2-CD1 4.03Å; I123-I139 HydrophobicContact CG2-CG1 4.02Å
124A87.1Confident84.8Confident47 Ų4753.9 Ų53.939%0.38830%0.302SS..Hα-helixtrans-64-39.9177.500000112.5N120 H121 K127 N128N120-A124 WeakPolarHBondContact O-CB 3.29Å; N120-A124 PolarHBondContact O-N 3.4Å; H121-A124 PolarHBondContact O-N 2.87Å; A124-K127 WeakPolarHBondContact O-CB 3.28Å; A124-K127 PolarHBondContact O-N 2.96Å; A124-N128 VanDerWaalsContact O-CG 3.24Å; A124-N128 PolarHBondContact O-N 3.14Å; A124-N128 PolarHBondContact O-ND2 3.26Å
125M89.4Confident85Confident3 Ų352.7 Ų52.72%0.01529%0.293CS..Hα-helixtrans-58.9-51.5174.5177-16171.900111.2E101 L106 A109 E110 Y113 H121 A122 I123 K127 N128 A129E101-M125 HydrophobicContact CG-CG 3.93Å; L106-M125 HydrophobicContact CB-CE 3.88Å; L106-M125 HydrophobicContact CB-SD 4.21Å; L106-M125 HydrophobicContact CD2-CE 4.33Å; L106-M125 HydrophobicContact CD2-CG 3.83Å; L106-M125 HydrophobicContact CD2-SD 3.75Å; L106-M125 WeakPolarHBondContact O-CE 3.32Å; A109-M125 HydrophobicContact CB-SD 3.59Å; A109-M125 VanDerWaalsContact CB-SD 3.59Å; E110-M125 HydrophobicContact CB-CE 4.45Å; Y113-M125 HydrophobicContact CD2-SD 4.49Å; Y113-M125 HydrophobicContact CE2-SD 4.11Å; H121-M125 VanDerWaalsContact O-CB 3.27Å; H121-M125 WeakPolarHBondContact O-CB 3.43Å; H121-M125 PolarHBondContact O-N 3.05Å; A122-M125 WeakPolarHBondContact O-CB 3.23Å; A122-M125 PolarHBondContact O-N 3.09Å; I123-M125 PolarHBondContact O-N 3.38Å; M125-K127 VanDerWaalsContact C-N 3.32Å; M125-K127 PolarHBondContact O-N 3.37Å; M125-N128 PolarHBondContact O-N 3Å; M125-A129 WeakPolarHBondContact O-CB 3.28Å; M125-A129 PolarHBondContact O-N 2.93Å
126Y89.5Confident85.3Confident2 Ų252.1 Ų52.11%0.00829%0.287CS..Hα-helixtrans-66.4-33.3178.3-78-55.8000113L106 E110 A122 I123 A129 G130 Q131 L138L106-Y126 HydrophobicContact CB-CE1 3.87Å; L106-Y126 HydrophobicContact CD1-CD1 4.34Å; L106-Y126 HydrophobicContact CD1-CE1 4.27Å; E110-Y126 HydrophobicContact CB-CE2 4.08Å; E110-Y126 HydrophobicContact CG-CE2 4.06Å; E110-Y126 VanDerWaalsContact OE2-CE2 3.29Å; E110-Y126 WeakPolarHBondContact OE2-CE2 3.31Å; E110-Y126 VanDerWaalsContact OE2-CZ 3.32Å; E110-Y126 PolarHBondContact OE2-OH 2.92Å; A122-Y126 VanDerWaalsContact O-CD2 3.27Å; A122-Y126 WeakPolarHBondContact O-CD2 3.39Å; A122-Y126 PolarHBondContact O-N 2.66Å; I123-Y126 PolarHBondContact O-N 3.14Å; Y126-A129 PolarHBondContact O-N 3.19Å; Y126-G130 PolarHBondContact O-N 3.47Å; Y126-Q131 HydrophobicContact CD1-CB 3.89Å; Y126-Q131 VanDerWaalsContact CD1-OE1 3.29Å; Y126-Q131 PolarHBondContact O-N 3.41Å; Y126-L138 HydrophobicContact CD2-CD1 3.56Å; Y126-L138 HydrophobicContact CE2-CD1 3.75Å
127K86.5Confident85.7Confident96 Ų9656.7 Ų56.742%0.41730%0.304SS..Hα-helixtrans-59.6-49.3170.8-174.6175.4178.1164.30111.4I123 A124 M125 A129 G130 M135 E157I123-K127 WeakPolarHBondContact O-CB 3.45Å; I123-K127 PolarHBondContact O-N 2.9Å; A124-K127 WeakPolarHBondContact O-CB 3.28Å; A124-K127 PolarHBondContact O-N 2.96Å; M125-K127 VanDerWaalsContact C-N 3.32Å; M125-K127 PolarHBondContact O-N 3.37Å; K127-A129 VanDerWaalsContact C-N 3.26Å; K127-A129 PolarHBondContact O-N 3.37Å; K127-G130 PolarHBondContact O-N 3.22Å; K127-G130 VanDerWaalsContact O-N 3.16Å; K127-M135 HydrophobicContact CB-SD 3.74Å; K127-M135 HydrophobicContact CG-SD 4.16Å; K127-E157 WeakPolarHBondContact CE-OE1 3.36Å; K127-E157 IonicContact NZ-OE1 2.8Å; K127-E157 PolarHBondContact NZ-OE1 3.21Å
128N86.2Confident86.1Confident128 Ų12848.8 Ų48.868%0.68427%0.267SS*.Hα-helixtrans-65.8-29.3179.9-69.5-18.6000112.8A124 M125 G130A124-N128 VanDerWaalsContact O-CG 3.24Å; A124-N128 PolarHBondContact O-N 3.14Å; A124-N128 PolarHBondContact O-ND2 3.26Å; M125-N128 PolarHBondContact O-N 3Å; N128-G130 VanDerWaalsContact C-N 3.31Å
129A85.5Confident86.2Confident48 Ų4846.8 Ų46.840%0.39726%0.258SS..THydrogen-bonded Turntrans-82.1-3.5176.900000114.1L106 M125 Y126 K127 Q131L106-A129 HydrophobicContact CD1-CB 3.6Å; M125-A129 WeakPolarHBondContact O-CB 3.28Å; M125-A129 PolarHBondContact O-N 2.93Å; Y126-A129 PolarHBondContact O-N 3.19Å; K127-A129 VanDerWaalsContact C-N 3.26Å; K127-A129 PolarHBondContact O-N 3.37Å; A129-Q131 HydrophobicContact CB-CG 4.37Å; A129-Q131 PolarHBondContact O-N 3.49Å
130G82.7Confident86.5Confident45 Ų4551.9 Ų51.946%0.46428%0.28SS..THydrogen-bonded Turntrans68.815.8-175.900000114.4Y126 K127 N128 H132Y126-G130 PolarHBondContact O-N 3.47Å; K127-G130 PolarHBondContact O-N 3.22Å; K127-G130 VanDerWaalsContact O-N 3.16Å; N128-G130 VanDerWaalsContact C-N 3.31Å; G130-H132 PolarHBondContact O-CD2 2.95Å; G130-H132 PolarHBondContact O-N 3.45Å
131Q84.9Confident86.6Confident86 Ų8653 Ų5340%0.40228%0.282SS..  trans-94.275.4-179.2-68.6-171.9-12.400110.4Y126 A129 D133 S134 M135Y126-Q131 HydrophobicContact CD1-CB 3.89Å; Y126-Q131 VanDerWaalsContact CD1-OE1 3.29Å; Y126-Q131 PolarHBondContact O-N 3.41Å; A129-Q131 HydrophobicContact CB-CG 4.37Å; A129-Q131 PolarHBondContact O-N 3.49Å; Q131-D133 PolarHBondContact O-N 2.97Å; Q131-S134 PolarHBondContact O-N 2.95Å; Q131-M135 PolarHBondContact O-N 3.43Å
132H84.4Confident86.4Confident20 Ų2052.1 Ų52.19%0.09328%0.278CS..Hα-helixtrans-63.8-35.7-173.5-56.8-69.7000113.5G130 S134 M135 M136 V154 E157 M158G130-H132 PolarHBondContact O-CD2 2.95Å; G130-H132 PolarHBondContact O-N 3.45Å; H132-S134 PolarHBondContact O-N 3.48Å; H132-M135 WeakPolarHBondContact O-CB 3.37Å; H132-M135 PolarHBondContact O-N 2.81Å; H132-M136 VanDerWaalsContact O-CG 3.31Å; H132-M136 WeakPolarHBondContact O-CG 3.45Å; H132-M136 PolarHBondContact O-N 3.43Å; H132-V154 HydrophobicContact CB-CG1 3.98Å; H132-V154 HydrophobicContact CB-CG2 4.49Å; H132-E157 IonicContact CE1-OE2 3.95Å; H132-M158 WeakPolarHBondContact CD2-CE 3.4Å; H132-M158 WeakPolarHBondContact NE2-CE 3.43Å
133D84.7Confident86.3Confident118 Ų11854.2 Ų54.263%0.63129%0.287SS*.Hα-helixtrans-66-43.3-178.1-58.4-33000112Q131 M135 M136 R137 Y170Q131-D133 PolarHBondContact O-N 2.97Å; D133-M135 VanDerWaalsContact C-N 3.31Å; D133-M135 PolarHBondContact O-N 3.33Å; D133-M136 PolarHBondContact O-N 2.88Å; D133-R137 PolarHBondContact O-N 3.4Å; D133-Y170 PolarHBondContact OD1-OH 3.31Å; D133-Y170 VanDerWaalsContact OD1-OH 3.08Å
134S86.6Confident86.2Confident33 Ų3356.8 Ų56.823%0.23131%0.306CS..Hα-helixtrans-62.7-39172.8-63.50000111.8Q131 H132 L138Q131-S134 PolarHBondContact O-N 2.95Å; H132-S134 PolarHBondContact O-N 3.48Å; S134-L138 PolarHBondContact O-N 3.36Å
135M88.2Confident86.1Confident11 Ų1159.9 Ų59.95%0.05431%0.312CS..Hα-helixtrans-62.4-47175.2-171.1-168.276.200111.3I123 K127 Q131 H132 D133 R137 L138 I139 V154I123-M135 HydrophobicContact CG2-CG 3.79Å; I123-M135 HydrophobicContact CG2-SD 4.43Å; K127-M135 HydrophobicContact CB-SD 3.74Å; K127-M135 HydrophobicContact CG-SD 4.16Å; Q131-M135 PolarHBondContact O-N 3.43Å; H132-M135 WeakPolarHBondContact O-CB 3.37Å; H132-M135 PolarHBondContact O-N 2.81Å; D133-M135 VanDerWaalsContact C-N 3.31Å; D133-M135 PolarHBondContact O-N 3.33Å; M135-R137 PolarHBondContact O-N 3.5Å; M135-L138 PolarHBondContact O-N 2.75Å; M135-I139 HydrophobicContact CE-CD1 4.06Å; M135-I139 HydrophobicContact CG-CD1 3.98Å; M135-I139 WeakPolarHBondContact O-CG1 3.46Å; M135-I139 PolarHBondContact O-N 3.28Å; M135-I139 HydrophobicContact SD-CD1 4.46Å; M135-V154 HydrophobicContact CE-CG2 3.46Å; M135-V154 VanDerWaalsContact CE-CG2 3.46Å
136M85.3Confident85.9Confident9 Ų964.6 Ų64.64%0.04433%0.334CS..Hα-helixtrans-63.8-41.4179.7-67.6-55.6174.100111.8H132 D133 L138 I139 E140 L147 A150 Y151 V154H132-M136 VanDerWaalsContact O-CG 3.31Å; H132-M136 WeakPolarHBondContact O-CG 3.45Å; H132-M136 PolarHBondContact O-N 3.43Å; D133-M136 PolarHBondContact O-N 2.88Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.26Å; M136-I139 PolarHBondContact O-N 3.19Å; M136-I139 VanDerWaalsContact O-N 3.17Å; M136-E140 WeakPolarHBondContact O-CB 3.31Å; M136-E140 PolarHBondContact O-N 3.21Å; M136-L147 HydrophobicContact SD-CD1 4.31Å; M136-A150 HydrophobicContact CE-CB 4.26Å; M136-A150 HydrophobicContact SD-CB 3.93Å; M136-Y151 HydrophobicContact CB-CE1 4.43Å; M136-Y151 HydrophobicContact CE-CD1 3.76Å; M136-Y151 HydrophobicContact CE-CE1 4.27Å; M136-Y151 HydrophobicContact CE-CG 4.46Å; M136-Y151 HydrophobicContact CG-CD1 4.29Å; M136-Y151 HydrophobicContact CG-CE1 3.86Å; M136-Y151 HydrophobicContact SD-CD1 3.8Å; M136-Y151 HydrophobicContact SD-CE1 3.84Å; M136-Y151 HydrophobicContact SD-CG 4.4Å; M136-V154 HydrophobicContact CE-CB 3.69Å; M136-V154 HydrophobicContact CE-CG1 4.31Å; M136-V154 HydrophobicContact CE-CG2 3.32Å
137R89.9Confident85.7Confident103 Ų10365.8 Ų65.839%0.38934%0.34SS..Hα-helixtrans-57.1-43.6175.2-179-178.657.781-1111.9E110 D133 M135 Q141E110-R137 IonicContact OE1-CZ 2.91Å; E110-R137 VanDerWaalsContact OE1-CZ 3.28Å; E110-R137 IonicContact OE1-NH1 3.23Å; E110-R137 PolarHBondContact OE1-NH1 3.23Å; E110-R137 IonicContact OE1-NH2 2.94Å; E110-R137 PolarHBondContact OE1-NH2 3.4Å; E110-R137 IonicContact OE2-NH2 2.9Å; E110-R137 PolarHBondContact OE2-NH2 3.09Å; D133-R137 PolarHBondContact O-N 3.4Å; M135-R137 PolarHBondContact O-N 3.5Å; R137-Q141 WeakPolarHBondContact O-CB 3.41Å; R137-Q141 PolarHBondContact O-N 3.32Å; R137-Q141 VanDerWaalsContact O-N 3.09Å
138L85.5Confident85.6Confident0 Ų064.8 Ų64.80%034%0.342CS..Hα-helixtrans-67.7-39.6177.3-72.6178000112.2E110 A122 I123 Y126 S134 M135 M136 Q141 F142E110-L138 HydrophobicContact CG-CD1 4.37Å; E110-L138 HydrophobicContact CG-CD2 4.18Å; A122-L138 HydrophobicContact CB-CD1 3.57Å; I123-L138 HydrophobicContact CD1-CB 4.37Å; I123-L138 HydrophobicContact CG1-CB 3.73Å; I123-L138 HydrophobicContact CG1-CD1 4.16Å; Y126-L138 HydrophobicContact CD2-CD1 3.56Å; Y126-L138 HydrophobicContact CE2-CD1 3.75Å; S134-L138 PolarHBondContact O-N 3.36Å; M135-L138 PolarHBondContact O-N 2.75Å; M136-L138 VanDerWaalsContact C-N 3.3Å; M136-L138 PolarHBondContact O-N 3.26Å; L138-Q141 PolarHBondContact O-N 3.37Å; L138-F142 HydrophobicContact CD2-CD2 4.21Å; L138-F142 HydrophobicContact CD2-CE2 3.86Å; L138-F142 WeakPolarHBondContact O-CD2 3.27Å; L138-F142 PolarHBondContact O-N 2.95Å
139I87Confident85.7Confident12 Ų1263.2 Ų63.26%0.06233%0.333CS..Hα-helixtrans-65.8-42.2177.3-66.2169.5000110.4I123 M135 M136 Q141 H143 L147 A150I123-I139 HydrophobicContact CD1-CG1 3.79Å; I123-I139 HydrophobicContact CG1-CG1 4.07Å; I123-I139 HydrophobicContact CG2-CD1 4.03Å; I123-I139 HydrophobicContact CG2-CG1 4.02Å; M135-I139 HydrophobicContact CE-CD1 4.06Å; M135-I139 HydrophobicContact CG-CD1 3.98Å; M135-I139 WeakPolarHBondContact O-CG1 3.46Å; M135-I139 PolarHBondContact O-N 3.28Å; M135-I139 HydrophobicContact SD-CD1 4.46Å; M136-I139 PolarHBondContact O-N 3.19Å; M136-I139 VanDerWaalsContact O-N 3.17Å; I139-Q141 VanDerWaalsContact C-N 3.28Å; I139-Q141 PolarHBondContact O-N 2.8Å; I139-H143 HydrophobicContact CG2-CB 4.41Å; I139-H143 WeakPolarHBondContact CG2-O 3.33Å; I139-H143 CarbonylContact O-C 3.54Å; I139-H143 VanDerWaalsContact O-CA 3.26Å; I139-H143 WeakPolarHBondContact O-CA 3.38Å; I139-H143 PolarHBondContact O-N 2.87Å; I139-L147 HydrophobicContact CB-CD1 4.35Å; I139-L147 HydrophobicContact CG2-CB 4.11Å; I139-L147 HydrophobicContact CG2-CD1 4Å; I139-A150 HydrophobicContact CD1-CB 3.53Å; I139-A150 HydrophobicContact CG2-CB 4.34Å
140E87.5Confident85.7Confident121 Ų12161.6 Ų61.657%0.56532%0.32SS*.Hα-helixtrans-60.5-39175.7-174.1176-162.900111.9M136 L147M136-E140 WeakPolarHBondContact O-CB 3.31Å; M136-E140 PolarHBondContact O-N 3.21Å; E140-L147 HydrophobicContact CB-CD1 4.3Å; E140-L147 HydrophobicContact CB-CD2 4.24Å; E140-L147 HydrophobicContact CG-CD2 4.22Å
141Q87.3Confident86Confident122 Ų12261.1 Ų61.157%0.5731%0.305SS*.Hα-helixtrans-73.8-43.2-179.5-174.8175.62.800113.6R137 L138 I139R137-Q141 WeakPolarHBondContact O-CB 3.41Å; R137-Q141 PolarHBondContact O-N 3.32Å; R137-Q141 VanDerWaalsContact O-N 3.09Å; L138-Q141 PolarHBondContact O-N 3.37Å; I139-Q141 VanDerWaalsContact C-N 3.28Å; I139-Q141 PolarHBondContact O-N 2.8Å
142F84Confident86.2Confident69 Ų6958.5 Ų58.530%0.30330%0.295SS..Hα-helixtrans-106.4-29-169.9-67.4-76.8000114.4C114 P119 L138C114-F142 HydrophobicContact CB-CZ 4.41Å; P119-F142 HydrophobicContact CB-CB 3.87Å; P119-F142 HydrophobicContact CB-CD1 3.9Å; P119-F142 HydrophobicContact CB-CD2 3.47Å; P119-F142 VanDerWaalsContact CB-CD2 3.47Å; P119-F142 HydrophobicContact CB-CE1 4.3Å; P119-F142 HydrophobicContact CB-CE2 3.92Å; P119-F142 HydrophobicContact CB-CG 3.46Å; P119-F142 VanDerWaalsContact CB-CG 3.46Å; P119-F142 HydrophobicContact CB-CZ 4.3Å; P119-F142 HydrophobicContact CG-CB 3.85Å; P119-F142 HydrophobicContact CG-CD1 3.83Å; P119-F142 HydrophobicContact CG-CD2 4.25Å; P119-F142 HydrophobicContact CG-CE1 4.44Å; P119-F142 HydrophobicContact CG-CG 3.72Å; L138-F142 HydrophobicContact CD2-CD2 4.21Å; L138-F142 HydrophobicContact CD2-CE2 3.86Å; L138-F142 WeakPolarHBondContact O-CD2 3.27Å; L138-F142 PolarHBondContact O-N 2.95Å
143H84.7Confident86.4Confident43 Ų4362.7 Ų62.720%0.19931%0.314CS..  trans-140.359.4-172.4-67.1-60.7000112.6N120 I139 E145 H146N120-H143 PolarHBondContact OD1-NE2 2.89Å; I139-H143 HydrophobicContact CG2-CB 4.41Å; I139-H143 WeakPolarHBondContact CG2-O 3.33Å; I139-H143 CarbonylContact O-C 3.54Å; I139-H143 VanDerWaalsContact O-CA 3.26Å; I139-H143 WeakPolarHBondContact O-CA 3.38Å; I139-H143 PolarHBondContact O-N 2.87Å; H143-E145 VanDerWaalsContact C-OE2 3.29Å; H143-E145 WeakPolarHBondContact CA-OE2 3.43Å; H143-E145 IonicContact CG-OE1 3.59Å; H143-E145 IonicContact ND1-OE1 2.71Å; H143-E145 PolarHBondContact ND1-OE1 3.27Å; H143-E145 PolarHBondContact O-N 3.36Å; H143-E145 VanDerWaalsContact O-N 3.1Å; H143-H146 HydrophobicContact CB-CB 4.34Å; H143-H146 PolarHBondContact O-N 3.15Å
144P84.4Confident86.5Confident77 Ų7757.2 Ų57.250%0.529%0.285SS..G310 helixtrans-58.9-26-177.725.3-35.2000113.1H146 L147P144-H146 PolarHBondContact O-N 3.42Å; P144-L147 WeakPolarHBondContact O-CB 3.4Å; P144-L147 PolarHBondContact O-N 3.24Å
145E84.2Confident86.7Confident112 Ų11255.6 Ų55.652%0.52327%0.274SS..G310 helixtrans-63.5-26.1174.468.6-75.9176.900113.8H143H143-E145 VanDerWaalsContact C-OE2 3.29Å; H143-E145 WeakPolarHBondContact CA-OE2 3.43Å; H143-E145 IonicContact CG-OE1 3.59Å; H143-E145 IonicContact ND1-OE1 2.71Å; H143-E145 PolarHBondContact ND1-OE1 3.27Å; H143-E145 PolarHBondContact O-N 3.36Å; H143-E145 VanDerWaalsContact O-N 3.1Å
146H84.3Confident86.8Confident101 Ų10158.9 Ų58.947%0.46829%0.289SS..G310 helixtrans-99.7-6.6-177.9-68.1-43.5000113.2H143 P144 T148 N149 A150H143-H146 HydrophobicContact CB-CB 4.34Å; H143-H146 PolarHBondContact O-N 3.15Å; P144-H146 PolarHBondContact O-N 3.42Å; H146-T148 PolarHBondContact O-N 3.22Å; H146-N149 PolarHBondContact O-N 3.08Å; H146-N149 VanDerWaalsContact O-N 3.12Å; H146-A150 WeakPolarHBondContact O-CB 3.39Å; H146-A150 PolarHBondContact O-N 3.04Å
147L86Confident86.9Confident28 Ų2861 Ų6115%0.14730%0.299CS..Hα-helixtrans-57.3-45.4-175.9-173.963.2000112.6M136 I139 E140 P144 N149 A150 Y151M136-L147 HydrophobicContact SD-CD1 4.31Å; I139-L147 HydrophobicContact CB-CD1 4.35Å; I139-L147 HydrophobicContact CG2-CB 4.11Å; I139-L147 HydrophobicContact CG2-CD1 4Å; E140-L147 HydrophobicContact CB-CD1 4.3Å; E140-L147 HydrophobicContact CB-CD2 4.24Å; E140-L147 HydrophobicContact CG-CD2 4.22Å; P144-L147 WeakPolarHBondContact O-CB 3.4Å; P144-L147 PolarHBondContact O-N 3.24Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 3.46Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 3.28Å; L147-Y151 HydrophobicContact CD1-CD2 4.27Å; L147-Y151 HydrophobicContact CD1-CE2 3.72Å; L147-Y151 HydrophobicContact CD2-CE2 3.98Å; L147-Y151 HydrophobicContact CG-CD2 3.97Å; L147-Y151 HydrophobicContact CG-CE2 3.51Å; L147-Y151 VanDerWaalsContact O-CD2 3.29Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 3.09Å
148T85.4Confident86.7Confident75 Ų7556.4 Ų56.446%0.4628%0.282SS..Hα-helixtrans-60.1-42.4177.6-49.50000112.1H146 V152 A174H146-T148 PolarHBondContact O-N 3.22Å; T148-V152 WeakPolarHBondContact O-CG2 3.47Å; T148-V152 PolarHBondContact O-N 3.38Å; T148-A174 HydrophobicContact CG2-CB 4.08Å
149N87Confident87Confident94 Ų9459.5 Ų59.550%0.50330%0.296SS..Hα-helixtrans-71.1-36.1178.7-69.1-17000111.5H146 L147 V152 H153H146-N149 PolarHBondContact O-N 3.08Å; H146-N149 VanDerWaalsContact O-N 3.12Å; L147-N149 VanDerWaalsContact C-N 3.33Å; L147-N149 PolarHBondContact O-N 3.46Å; N149-V152 PolarHBondContact O-N 3.42Å; N149-H153 PolarHBondContact O-CD2 3.4Å; N149-H153 PolarHBondContact O-N 3.12Å
150A85.6Confident87Confident14 Ų1467.1 Ų67.112%0.11633%0.331CS..Hα-helixtrans-63.1-46176.300000111.4M136 I139 H146 L147 V152 H153 V154M136-A150 HydrophobicContact CE-CB 4.26Å; M136-A150 HydrophobicContact SD-CB 3.93Å; I139-A150 HydrophobicContact CD1-CB 3.53Å; I139-A150 HydrophobicContact CG2-CB 4.34Å; H146-A150 WeakPolarHBondContact O-CB 3.39Å; H146-A150 PolarHBondContact O-N 3.04Å; L147-A150 WeakPolarHBondContact O-CB 3.34Å; L147-A150 PolarHBondContact O-N 3.28Å; A150-V152 VanDerWaalsContact C-N 3.32Å; A150-V152 PolarHBondContact O-N 3.05Å; A150-H153 PolarHBondContact O-N 3.42Å; A150-V154 PolarHBondContact O-N 3.08Å
151Y89.2Confident87.1Confident35 Ų3567.1 Ų67.114%0.13733%0.331CS..Hα-helixtrans-57.5-43.7173.9-78-50.3000112.3M136 L147 V154 A155 Y170 L173M136-Y151 HydrophobicContact CB-CE1 4.43Å; M136-Y151 HydrophobicContact CE-CD1 3.76Å; M136-Y151 HydrophobicContact CE-CE1 4.27Å; M136-Y151 HydrophobicContact CE-CG 4.46Å; M136-Y151 HydrophobicContact CG-CD1 4.29Å; M136-Y151 HydrophobicContact CG-CE1 3.86Å; M136-Y151 HydrophobicContact SD-CD1 3.8Å; M136-Y151 HydrophobicContact SD-CE1 3.84Å; M136-Y151 HydrophobicContact SD-CG 4.4Å; L147-Y151 HydrophobicContact CD1-CD2 4.27Å; L147-Y151 HydrophobicContact CD1-CE2 3.72Å; L147-Y151 HydrophobicContact CD2-CE2 3.98Å; L147-Y151 HydrophobicContact CG-CD2 3.97Å; L147-Y151 HydrophobicContact CG-CE2 3.51Å; L147-Y151 VanDerWaalsContact O-CD2 3.29Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 3.09Å; Y151-V154 PolarHBondContact O-N 3.12Å; Y151-A155 VanDerWaalsContact O-CB 3.24Å; Y151-A155 WeakPolarHBondContact O-CB 3.37Å; Y151-A155 PolarHBondContact O-N 3.2Å; Y151-Y170 AromaticContact CD1-CD1 3.76Å; Y151-Y170 HydrophobicContact CD1-CD1 3.76Å; Y151-Y170 HydrophobicContact CE1-CD1 4.08Å; Y151-L173 HydrophobicContact CD1-CB 4.17Å; Y151-L173 HydrophobicContact CD1-CD1 4.35Å; Y151-L173 HydrophobicContact CD2-CB 4.16Å; Y151-L173 HydrophobicContact CE1-CB 4.09Å; Y151-L173 HydrophobicContact CE1-CD1 3.79Å; Y151-L173 HydrophobicContact CE2-CB 4.05Å; Y151-L173 HydrophobicContact CG-CB 4.22Å
152V90Very high87Confident32 Ų3263.1 Ų63.119%0.19432%0.323CS..Hα-helixtrans-62.5-42.8176.3169.10000111.6T148 N149 A150 A155 Q156 Y171 A174 A176T148-V152 WeakPolarHBondContact O-CG2 3.47Å; T148-V152 PolarHBondContact O-N 3.38Å; N149-V152 PolarHBondContact O-N 3.42Å; A150-V152 VanDerWaalsContact C-N 3.32Å; A150-V152 PolarHBondContact O-N 3.05Å; V152-A155 PolarHBondContact O-N 3.23Å; V152-Q156 VanDerWaalsContact O-CG 3.3Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 2.92Å; V152-Y171 HydrophobicContact CG1-CE1 4.24Å; V152-Y171 HydrophobicContact CG2-CD1 4.47Å; V152-A174 HydrophobicContact CG2-CB 3.87Å; V152-A176 HydrophobicContact CG2-CB 4.31Å
153H87.1Confident87.2Confident107 Ų10765.6 Ų65.650%0.49533%0.33SS..Hα-helixtrans-65.8-44.2178.8-82.9-58.4000112.8N149 A150 A155 Q156 E157N149-H153 PolarHBondContact O-CD2 3.4Å; N149-H153 PolarHBondContact O-N 3.12Å; A150-H153 PolarHBondContact O-N 3.42Å; H153-A155 VanDerWaalsContact C-N 3.31Å; H153-A155 PolarHBondContact O-N 3.4Å; H153-Q156 WeakPolarHBondContact O-CB 3.38Å; H153-Q156 PolarHBondContact O-N 2.96Å; H153-E157 PolarHBondContact O-N 3.02Å
154V88.4Confident87.4Confident3 Ų366.3 Ų66.32%0.01833%0.333CS..Hα-helixtrans-66.1-37.8175.9172.80000110.9H132 M135 M136 A150 Y151 Q156 E157 M158 Y170H132-V154 HydrophobicContact CB-CG1 3.98Å; H132-V154 HydrophobicContact CB-CG2 4.49Å; M135-V154 HydrophobicContact CE-CG2 3.46Å; M135-V154 VanDerWaalsContact CE-CG2 3.46Å; M136-V154 HydrophobicContact CE-CB 3.69Å; M136-V154 HydrophobicContact CE-CG1 4.31Å; M136-V154 HydrophobicContact CE-CG2 3.32Å; A150-V154 PolarHBondContact O-N 3.08Å; Y151-V154 PolarHBondContact O-N 3.12Å; V154-Q156 VanDerWaalsContact C-N 3.28Å; V154-Q156 PolarHBondContact O-N 3.15Å; V154-E157 PolarHBondContact O-N 3.4Å; V154-M158 HydrophobicContact CG1-CE 4.33Å; V154-M158 HydrophobicContact CG1-CG 4.32Å; V154-M158 VanDerWaalsContact O-CG 3.24Å; V154-M158 WeakPolarHBondContact O-CG 3.49Å; V154-M158 PolarHBondContact O-N 3.13Å; V154-Y170 HydrophobicContact CG1-CD2 3.87Å; V154-Y170 HydrophobicContact CG1-CE1 4.48Å; V154-Y170 HydrophobicContact CG1-CE2 3.8Å; V154-Y170 HydrophobicContact CG1-CG 4.24Å
155A89.6Confident87.6Confident0 Ų070.7 Ų70.70%034%0.344CS..Hα-helixtrans-62.7-35.6174.600000112.5Y151 V152 H153 M158 E159 A167 Y171Y151-A155 VanDerWaalsContact O-CB 3.24Å; Y151-A155 WeakPolarHBondContact O-CB 3.37Å; Y151-A155 PolarHBondContact O-N 3.2Å; V152-A155 PolarHBondContact O-N 3.23Å; H153-A155 VanDerWaalsContact C-N 3.31Å; H153-A155 PolarHBondContact O-N 3.4Å; A155-M158 PolarHBondContact O-N 3.14Å; A155-E159 WeakPolarHBondContact O-CB 3.32Å; A155-E159 PolarHBondContact O-N 3.25Å; A155-A167 WeakPolarHBondContact O-CB 3.48Å; A155-Y171 HydrophobicContact CB-CD1 3.6Å; A155-Y171 HydrophobicContact CB-CD2 3.54Å; A155-Y171 HydrophobicContact CB-CE1 3.63Å; A155-Y171 HydrophobicContact CB-CE2 3.57Å; A155-Y171 HydrophobicContact CB-CG 3.54Å
156Q89.7Confident87.8Confident79 Ų7968 Ų6837%0.36933%0.333SS..Hα-helixtrans-67.3-43.1173.1-73.5170.8-10.500112.2V152 H153 V154 M158 E159 E160 Y171V152-Q156 VanDerWaalsContact O-CG 3.3Å; V152-Q156 WeakPolarHBondContact O-CG 3.46Å; V152-Q156 PolarHBondContact O-N 2.92Å; H153-Q156 WeakPolarHBondContact O-CB 3.38Å; H153-Q156 PolarHBondContact O-N 2.96Å; V154-Q156 VanDerWaalsContact C-N 3.28Å; V154-Q156 PolarHBondContact O-N 3.15Å; Q156-M158 VanDerWaalsContact C-N 3.31Å; Q156-M158 PolarHBondContact O-N 3.36Å; Q156-E159 WeakPolarHBondContact O-CB 3.45Å; Q156-E159 PolarHBondContact O-N 3.36Å; Q156-E160 WeakPolarHBondContact O-CG 3.23Å; Q156-E160 PolarHBondContact O-N 2.85Å; Q156-Y171 VanDerWaalsContact CG-OH 3.3Å; Q156-Y171 WeakPolarHBondContact CG-OH 3.11Å
157E87.7Confident88Confident55 Ų5563.2 Ų63.226%0.25731%0.311SS..Hα-helixtrans-59.8-43.3174.5-70.7173.2-17900110.3K127 H132 H153 V154 E159 E160 E161K127-E157 WeakPolarHBondContact CE-OE1 3.36Å; K127-E157 IonicContact NZ-OE1 2.8Å; K127-E157 PolarHBondContact NZ-OE1 3.21Å; H132-E157 IonicContact CE1-OE2 3.95Å; H153-E157 PolarHBondContact O-N 3.02Å; V154-E157 PolarHBondContact O-N 3.4Å; E157-E159 PolarHBondContact O-N 2.83Å; E157-E160 PolarHBondContact O-N 2.83Å; E157-E161 WeakPolarHBondContact O-CG 3.47Å; E157-E161 PolarHBondContact O-N 3.08Å
158M87.1Confident88.3Confident6 Ų663 Ų633%0.0331%0.309CS..Hα-helixtrans-67.6-32.9175.6-65.4-69.8153.500113.4H132 V154 A155 Q156 E161 G162 R163 D166 A167 Y170H132-M158 WeakPolarHBondContact CD2-CE 3.4Å; H132-M158 WeakPolarHBondContact NE2-CE 3.43Å; V154-M158 HydrophobicContact CG1-CE 4.33Å; V154-M158 HydrophobicContact CG1-CG 4.32Å; V154-M158 VanDerWaalsContact O-CG 3.24Å; V154-M158 WeakPolarHBondContact O-CG 3.49Å; V154-M158 PolarHBondContact O-N 3.13Å; A155-M158 PolarHBondContact O-N 3.14Å; Q156-M158 VanDerWaalsContact C-N 3.31Å; Q156-M158 PolarHBondContact O-N 3.36Å; M158-E161 PolarHBondContact O-N 3.12Å; M158-G162 PolarHBondContact O-N 3.21Å; M158-R163 PolarHBondContact O-N 2.69Å; M158-R163 HydrophobicContact SD-CB 4.48Å; M158-D166 HydrophobicContact SD-CB 4.47Å; M158-A167 HydrophobicContact CB-CB 3.95Å; M158-Y170 HydrophobicContact CG-CD2 4.34Å; M158-Y170 HydrophobicContact CG-CE2 4.38Å
159E89.8Confident88.5Confident65 Ų6562 Ų6230%0.30431%0.305SS..Hα-helixtrans-65.2-41173179.2178.317400111A155 Q156 E157 G162 Y171 M183A155-E159 WeakPolarHBondContact O-CB 3.32Å; A155-E159 PolarHBondContact O-N 3.25Å; Q156-E159 WeakPolarHBondContact O-CB 3.45Å; Q156-E159 PolarHBondContact O-N 3.36Å; E157-E159 PolarHBondContact O-N 2.83Å; E159-G162 PolarHBondContact O-N 2.93Å; E159-G162 VanDerWaalsContact O-N 3.15Å; E159-Y171 PolarHBondContact OE2-OH 3.32Å; E159-M183 HydrophobicContact CG-CG 4.01Å; E159-M183 HydrophobicContact CG-SD 4.35Å
160E88.7Confident88.6Confident171 Ų17158.8 Ų58.880%0.79929%0.286SS*.Hα-helixtrans-66.5-34.9175.4-71.3179.3-177.400112.4Q156 E157 G162Q156-E160 WeakPolarHBondContact O-CG 3.23Å; Q156-E160 PolarHBondContact O-N 2.85Å; E157-E160 PolarHBondContact O-N 2.83Å; E160-G162 PolarHBondContact O-N 3.37Å
161E87.9Confident88.9Confident121 Ų12158.3 Ų58.357%0.56528%0.282SS*.THydrogen-bonded Turntrans-73.5-10.9173.1-69.7-179-178.500113.7E157 M158 R163E157-E161 WeakPolarHBondContact O-CG 3.47Å; E157-E161 PolarHBondContact O-N 3.08Å; M158-E161 PolarHBondContact O-N 3.12Å; E161-R163 HydrophobicContact CB-CG 4.41Å
162G86.6Confident88.9Confident38 Ų3858.3 Ų58.339%0.39228%0.284SS..THydrogen-bonded Turntrans80.512.2-177.500000114.7M158 E159 E160 F164M158-G162 PolarHBondContact O-N 3.21Å; E159-G162 PolarHBondContact O-N 2.93Å; E159-G162 VanDerWaalsContact O-N 3.15Å; E160-G162 PolarHBondContact O-N 3.37Å; G162-F164 WeakPolarHBondContact O-CD2 3.27Å; G162-F164 PolarHBondContact O-N 3.35Å
163R88.4Confident88.7Confident122 Ų12261.9 Ų61.946%0.4630%0.301SS..  trans-88.669.5178.7-66.5178.963.5-176.4-0.6111.3M158 E161 K165 D166 A167M158-R163 PolarHBondContact O-N 2.69Å; M158-R163 HydrophobicContact SD-CB 4.48Å; E161-R163 HydrophobicContact CB-CG 4.41Å; R163-K165 PolarHBondContact O-N 2.89Å; R163-D166 HydrophobicContact CB-CB 4.36Å; R163-D166 IonicContact CZ-OD2 2.74Å; R163-D166 IonicContact NE-OD2 3.92Å; R163-D166 PolarHBondContact NE-OD2 3.37Å; R163-D166 IonicContact NH2-OD1 3.25Å; R163-D166 IonicContact NH2-OD2 3.75Å; R163-D166 PolarHBondContact NH2-OD2 2.88Å; R163-D166 PolarHBondContact O-N 2.89Å; R163-A167 PolarHBondContact O-N 2.87Å
164F89Confident88.7Confident58 Ų5857.3 Ų57.325%0.25428%0.282SS..Hα-helixtrans-62.2-33.4-171.3-54.4-58.7000115.2G162 E168 M183 Y184 V187G162-F164 WeakPolarHBondContact O-CD2 3.27Å; G162-F164 PolarHBondContact O-N 3.35Å; F164-E168 WeakPolarHBondContact O-CB 3.38Å; F164-E168 PolarHBondContact O-N 2.84Å; F164-M183 HydrophobicContact CB-CE 3.94Å; F164-M183 HydrophobicContact CB-SD 4.22Å; F164-M183 HydrophobicContact CD1-CE 4.4Å; F164-M183 HydrophobicContact CD1-CG 3.8Å; F164-M183 HydrophobicContact CD1-SD 3.76Å; F164-M183 HydrophobicContact CE1-CG 4.34Å; F164-M183 HydrophobicContact CG-SD 4.47Å; F164-M183 WeakPolarHBondContact O-CE 3.48Å; F164-Y184 HydrophobicContact CB-CE1 4.17Å; F164-V187 HydrophobicContact CD1-CG2 4.11Å; F164-V187 HydrophobicContact CD2-CG2 4.31Å; F164-V187 HydrophobicContact CE1-CG2 3.59Å; F164-V187 HydrophobicContact CE2-CG1 4.07Å; F164-V187 HydrophobicContact CE2-CG2 3.81Å; F164-V187 HydrophobicContact CG-CG2 4.45Å; F164-V187 HydrophobicContact CZ-CG1 4.43Å; F164-V187 HydrophobicContact CZ-CG2 3.42Å; F164-V187 VanDerWaalsContact CZ-CG2 3.42Å
165K88.1Confident88.5Confident168 Ų16863 Ų6373%0.7331%0.312SS*.Hα-helixtrans-69.2-39.2179-68.2-174.2178.9-178.90112.1R163 E168 S169R163-K165 PolarHBondContact O-N 2.89Å; K165-E168 WeakPolarHBondContact O-CB 3.14Å; K165-E168 PolarHBondContact O-N 2.97Å; K165-S169 PolarHBondContact O-N 3.45Å; K165-S169 VanDerWaalsContact O-N 3.13Å
166D87.2Confident88.4Confident57 Ų5764 Ų6431%0.30532%0.321SS..Hα-helixtrans-71.5-41.4177.7-57.3-41.4000109.7M158 R163 E168 S169 Y170M158-D166 HydrophobicContact SD-CB 4.47Å; R163-D166 HydrophobicContact CB-CB 4.36Å; R163-D166 IonicContact CZ-OD2 2.74Å; R163-D166 IonicContact NE-OD2 3.92Å; R163-D166 PolarHBondContact NE-OD2 3.37Å; R163-D166 IonicContact NH2-OD1 3.25Å; R163-D166 IonicContact NH2-OD2 3.75Å; R163-D166 PolarHBondContact NH2-OD2 2.88Å; R163-D166 PolarHBondContact O-N 2.89Å; D166-E168 VanDerWaalsContact C-N 3.35Å; D166-E168 PolarHBondContact O-N 3.32Å; D166-S169 PolarHBondContact O-N 3.37Å; D166-S169 VanDerWaalsContact O-N 3.13Å; D166-S169 PolarHBondContact O-OG 3.31Å; D166-Y170 VanDerWaalsContact O-CD2 3.25Å; D166-Y170 WeakPolarHBondContact O-CD2 3.41Å; D166-Y170 PolarHBondContact O-N 3.05Å; D166-Y170 VanDerWaalsContact O-N 3.13Å
167A90.3Very high88.4Confident0 Ų062.7 Ų62.70%031%0.313CS..Hα-helixtrans-58-43.1171.100000112.5A155 M158 R163 S169 Y170 Y171 M183A155-A167 WeakPolarHBondContact O-CB 3.48Å; M158-A167 HydrophobicContact CB-CB 3.95Å; R163-A167 PolarHBondContact O-N 2.87Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 3.25Å; A167-Y170 PolarHBondContact O-N 3.49Å; A167-Y171 HydrophobicContact CB-CD2 4.37Å; A167-Y171 HydrophobicContact CB-CE2 4.36Å; A167-Y171 WeakPolarHBondContact O-CB 3.38Å; A167-Y171 WeakPolarHBondContact O-CD2 3.29Å; A167-Y171 PolarHBondContact O-N 3.28Å; A167-M183 HydrophobicContact CB-SD 3.83Å
168E90.6Very high88.6Confident22 Ų2267 Ų6710%0.10333%0.33CS..Hα-helixtrans-54.7-48.9173170.5178.517200110.5F164 K165 D166 Y170 Y171 L172 V180 Y184 R195 I196F164-E168 WeakPolarHBondContact O-CB 3.38Å; F164-E168 PolarHBondContact O-N 2.84Å; K165-E168 WeakPolarHBondContact O-CB 3.14Å; K165-E168 PolarHBondContact O-N 2.97Å; D166-E168 VanDerWaalsContact C-N 3.35Å; D166-E168 PolarHBondContact O-N 3.32Å; E168-Y170 PolarHBondContact O-N 2.96Å; E168-Y171 PolarHBondContact O-N 3.49Å; E168-L172 HydrophobicContact CG-CD1 3.64Å; E168-L172 HydrophobicContact CG-CG 4.15Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 WeakPolarHBondContact O-CG 3.3Å; E168-L172 PolarHBondContact O-N 3.29Å; E168-V180 HydrophobicContact CB-CG1 4.07Å; E168-V180 HydrophobicContact CG-CG1 4.13Å; E168-Y184 HydrophobicContact CB-CE2 4.3Å; E168-Y184 HydrophobicContact CG-CE2 4.49Å; E168-Y184 WeakPolarHBondContact OE2-CE2 3.47Å; E168-Y184 PolarHBondContact OE2-OH 3.41Å; E168-R195 IonicContact OE1-CZ 2.75Å; E168-R195 IonicContact OE1-NH1 3.13Å; E168-R195 PolarHBondContact OE1-NH1 3.29Å; E168-R195 IonicContact OE1-NH2 3.28Å; E168-R195 PolarHBondContact OE1-NH2 2.91Å; E168-R195 IonicContact OE2-NH2 3.03Å; E168-R195 PolarHBondContact OE2-NH2 3.07Å; E168-R195 VanDerWaalsContact OE2-NH2 3.09Å; E168-I196 HydrophobicContact CG-CD1 3.98Å
169S89.3Confident88.8Confident54 Ų5468.8 Ų68.838%0.37834%0.342SS..Hα-helixtrans-59-47.3-178.678.20000112.4K165 D166 A167 L172 L173K165-S169 PolarHBondContact O-N 3.45Å; K165-S169 VanDerWaalsContact O-N 3.13Å; D166-S169 PolarHBondContact O-N 3.37Å; D166-S169 VanDerWaalsContact O-N 3.13Å; D166-S169 PolarHBondContact O-OG 3.31Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 3.25Å; S169-L172 PolarHBondContact O-N 3.22Å; S169-L173 VanDerWaalsContact O-CG 3.31Å; S169-L173 WeakPolarHBondContact O-CG 3.47Å; S169-L173 PolarHBondContact O-N 3.01Å
170Y90Very high88.8Confident28 Ų2865.7 Ų65.711%0.1133%0.328CS..Hα-helixtrans-69.3-41179.9-70.9-60.1000112.7D133 Y151 V154 M158 D166 A167 E168 L172 L173 A174D133-Y170 PolarHBondContact OD1-OH 3.31Å; D133-Y170 VanDerWaalsContact OD1-OH 3.08Å; Y151-Y170 AromaticContact CD1-CD1 3.76Å; Y151-Y170 HydrophobicContact CD1-CD1 3.76Å; Y151-Y170 HydrophobicContact CE1-CD1 4.08Å; V154-Y170 HydrophobicContact CG1-CD2 3.87Å; V154-Y170 HydrophobicContact CG1-CE1 4.48Å; V154-Y170 HydrophobicContact CG1-CE2 3.8Å; V154-Y170 HydrophobicContact CG1-CG 4.24Å; M158-Y170 HydrophobicContact CG-CD2 4.34Å; M158-Y170 HydrophobicContact CG-CE2 4.38Å; D166-Y170 VanDerWaalsContact O-CD2 3.25Å; D166-Y170 WeakPolarHBondContact O-CD2 3.41Å; D166-Y170 PolarHBondContact O-N 3.05Å; D166-Y170 VanDerWaalsContact O-N 3.13Å; A167-Y170 PolarHBondContact O-N 3.49Å; E168-Y170 PolarHBondContact O-N 2.96Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 3.18Å; Y170-L173 HydrophobicContact CD1-CD1 4.3Å; Y170-L173 PolarHBondContact O-N 3.01Å; Y170-A174 PolarHBondContact O-N 3.16Å
171Y91.7Very high88.9Confident4 Ų458.4 Ų58.42%0.01630%0.295CS..Hα-helixtrans-64.2-36.9174.9-81.2-54.5000112.7V152 A155 Q156 E159 A167 E168 A174 N175 A176 P179 V180 M183V152-Y171 HydrophobicContact CG1-CE1 4.24Å; V152-Y171 HydrophobicContact CG2-CD1 4.47Å; A155-Y171 HydrophobicContact CB-CD1 3.6Å; A155-Y171 HydrophobicContact CB-CD2 3.54Å; A155-Y171 HydrophobicContact CB-CE1 3.63Å; A155-Y171 HydrophobicContact CB-CE2 3.57Å; A155-Y171 HydrophobicContact CB-CG 3.54Å; Q156-Y171 VanDerWaalsContact CG-OH 3.3Å; Q156-Y171 WeakPolarHBondContact CG-OH 3.11Å; E159-Y171 PolarHBondContact OE2-OH 3.32Å; A167-Y171 HydrophobicContact CB-CD2 4.37Å; A167-Y171 HydrophobicContact CB-CE2 4.36Å; A167-Y171 WeakPolarHBondContact O-CB 3.38Å; A167-Y171 WeakPolarHBondContact O-CD2 3.29Å; A167-Y171 PolarHBondContact O-N 3.28Å; E168-Y171 PolarHBondContact O-N 3.49Å; Y171-A174 CarbonylContact O-C 3.52Å; Y171-A174 WeakPolarHBondContact O-CB 3.28Å; Y171-A174 PolarHBondContact O-N 3Å; Y171-N175 PolarHBondContact O-N 3.09Å; Y171-A176 PolarHBondContact O-N 3.07Å; Y171-P179 HydrophobicContact CD1-CB 3.76Å; Y171-P179 HydrophobicContact CD1-CG 4.23Å; Y171-P179 HydrophobicContact CD2-CB 4.46Å; Y171-P179 HydrophobicContact CE1-CB 3.45Å; Y171-P179 VanDerWaalsContact CE1-CB 3.45Å; Y171-P179 HydrophobicContact CE1-CG 4.06Å; Y171-P179 HydrophobicContact CE2-CB 4.21Å; Y171-P179 HydrophobicContact CG-CB 4.26Å; Y171-V180 HydrophobicContact CD2-CG2 3.76Å; Y171-V180 HydrophobicContact CG-CG2 3.71Å; Y171-M183 HydrophobicContact CE2-SD 4.47Å
172L89.1Confident88.9Confident34 Ų3459.4 Ų59.418%0.17830%0.298CS..Hα-helixtrans-69.4-36.8176.3-70.2180000111.7E168 S169 Y170 A174 N175 W177 I196 Y200E168-L172 HydrophobicContact CG-CD1 3.64Å; E168-L172 HydrophobicContact CG-CG 4.15Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 WeakPolarHBondContact O-CG 3.3Å; E168-L172 PolarHBondContact O-N 3.29Å; S169-L172 PolarHBondContact O-N 3.22Å; Y170-L172 VanDerWaalsContact C-N 3.32Å; Y170-L172 PolarHBondContact O-N 3.18Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 2.89Å; L172-N175 WeakPolarHBondContact O-CA 3.5Å; L172-N175 PolarHBondContact O-N 3.15Å; L172-W177 HydrophobicContact CD2-CB 4.49Å; L172-I196 HydrophobicContact CD2-CG2 4.33Å; L172-Y200 HydrophobicContact CD1-CE2 3.94Å; L172-Y200 HydrophobicContact CD2-CD1 4.27Å; L172-Y200 HydrophobicContact CD2-CD2 3.7Å; L172-Y200 HydrophobicContact CD2-CE1 4.06Å; L172-Y200 HydrophobicContact CD2-CE2 3.47Å; L172-Y200 VanDerWaalsContact CD2-CE2 3.47Å; L172-Y200 HydrophobicContact CD2-CG 4.1Å; L172-Y200 HydrophobicContact CG-CE2 4.32Å
173L86.6Confident89.1Confident108 Ų10857.7 Ų57.757%0.56528%0.28SS*.Hα-helixtrans-61.2-35.1170.3-71.6170.8000112Y151 S169 Y170 N175Y151-L173 HydrophobicContact CD1-CB 4.17Å; Y151-L173 HydrophobicContact CD1-CD1 4.35Å; Y151-L173 HydrophobicContact CD2-CB 4.16Å; Y151-L173 HydrophobicContact CE1-CB 4.09Å; Y151-L173 HydrophobicContact CE1-CD1 3.79Å; Y151-L173 HydrophobicContact CE2-CB 4.05Å; Y151-L173 HydrophobicContact CG-CB 4.22Å; S169-L173 VanDerWaalsContact O-CG 3.31Å; S169-L173 WeakPolarHBondContact O-CG 3.47Å; S169-L173 PolarHBondContact O-N 3.01Å; Y170-L173 HydrophobicContact CD1-CD1 4.3Å; Y170-L173 PolarHBondContact O-N 3.01Å; L173-N175 PolarHBondContact O-N 3.19Å
174A85.8Confident89.2Confident10 Ų1052 Ų528%0.08326%0.258CS..THydrogen-bonded Turntrans-74.20.1171.800000114.4T148 V152 Y170 Y171 L172 A176T148-A174 HydrophobicContact CG2-CB 4.08Å; V152-A174 HydrophobicContact CG2-CB 3.87Å; Y170-A174 PolarHBondContact O-N 3.16Å; Y171-A174 CarbonylContact O-C 3.52Å; Y171-A174 WeakPolarHBondContact O-CB 3.28Å; Y171-A174 PolarHBondContact O-N 3Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 2.89Å; A174-A176 HydrophobicContact CB-CB 4.05Å; A174-A176 PolarHBondContact O-N 2.96Å; A174-A176 VanDerWaalsContact O-N 3.13Å
175N85.2Confident89.2Confident122 Ų12254.6 Ų54.665%0.65227%0.266SS*.THydrogen-bonded Turntrans53.826.1-170-15919.2000113.3Y171 L172 L173Y171-N175 PolarHBondContact O-N 3.09Å; L172-N175 WeakPolarHBondContact O-CA 3.5Å; L172-N175 PolarHBondContact O-N 3.15Å; L173-N175 PolarHBondContact O-N 3.19Å
176A88Confident89.2Confident23 Ų2350.7 Ų50.719%0.1927%0.265CS..  trans-106.770.4-17400000110.6V152 Y171 A174 K178 P179V152-A176 HydrophobicContact CG2-CB 4.31Å; Y171-A176 PolarHBondContact O-N 3.07Å; A174-A176 HydrophobicContact CB-CB 4.05Å; A174-A176 PolarHBondContact O-N 2.96Å; A174-A176 VanDerWaalsContact O-N 3.13Å; A176-K178 VanDerWaalsContact C-N 3.35Å; A176-K178 PolarHBondContact O-N 3.4Å; A176-P179 HydrophobicContact CB-CG 4.3Å; A176-P179 VanDerWaalsContact O-CD 3.32Å; A176-P179 WeakPolarHBondContact O-CD 3.46Å
177W90Very high89.2Confident51 Ų5151 Ų5119%0.19327%0.269CS..Hα-helixtrans-71.3-24.4-177.763.9-95.1000114.3L172 V180 V181 I196 Y200 G201 A205L172-W177 HydrophobicContact CD2-CB 4.49Å; W177-V180 WeakPolarHBondContact O-CB 3.47Å; W177-V180 PolarHBondContact O-N 2.9Å; W177-V181 HydrophobicContact CE3-CG2 3.91Å; W177-V181 HydrophobicContact CZ3-CG2 4.25Å; W177-V181 PolarHBondContact O-N 3.33Å; W177-V181 VanDerWaalsContact O-N 3.07Å; W177-I196 HydrophobicContact CB-CG2 4.07Å; W177-Y200 HydrophobicContact CB-CG 4.32Å; W177-G201 VanDerWaalsContact CZ2-CA 3.47Å; W177-A205 HydrophobicContact CH2-CB 3.46Å; W177-A205 VanDerWaalsContact CH2-CB 3.46Å; W177-A205 HydrophobicContact CZ2-CB 4.26Å; W177-A205 HydrophobicContact CZ3-CB 3.89Å
178K91.3Very high88.9Confident145 Ų14553 Ų5363%0.6329%0.289SS*.Hα-helixtrans-62.4-48-178.5-70.5179.8-178.3178.20112.9A176 V180 V181 K182A176-K178 VanDerWaalsContact C-N 3.35Å; A176-K178 PolarHBondContact O-N 3.4Å; K178-V180 VanDerWaalsContact C-N 3.29Å; K178-V180 PolarHBondContact O-N 3.06Å; K178-V181 PolarHBondContact O-N 3.13Å; K178-K182 PolarHBondContact O-N 3.39Å
179P90.4Very high88.8Confident43 Ų4355.9 Ų55.928%0.27930%0.303SS..Hα-helixtrans-51.8-43.6168.8-29.933.1000113.9Y171 A176 V181 K182 M183Y171-P179 HydrophobicContact CD1-CB 3.76Å; Y171-P179 HydrophobicContact CD1-CG 4.23Å; Y171-P179 HydrophobicContact CD2-CB 4.46Å; Y171-P179 HydrophobicContact CE1-CB 3.45Å; Y171-P179 VanDerWaalsContact CE1-CB 3.45Å; Y171-P179 HydrophobicContact CE1-CG 4.06Å; Y171-P179 HydrophobicContact CE2-CB 4.21Å; Y171-P179 HydrophobicContact CG-CB 4.26Å; A176-P179 HydrophobicContact CB-CG 4.3Å; A176-P179 VanDerWaalsContact O-CD 3.32Å; A176-P179 WeakPolarHBondContact O-CD 3.46Å; P179-V181 PolarHBondContact O-N 3.31Å; P179-K182 CarbonylContact O-C 3.55Å; P179-K182 WeakPolarHBondContact O-CA 3.33Å; P179-K182 WeakPolarHBondContact O-CB 3.44Å; P179-K182 PolarHBondContact O-N 3.27Å; P179-K182 VanDerWaalsContact O-N 3.08Å; P179-M183 WeakPolarHBondContact O-CB 3.46Å; P179-M183 PolarHBondContact O-N 3.23Å
180V90.8Very high88.7Confident0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-62.7-44-179.2-164.80000111.9E168 Y171 W177 K178 K182 M183 Y184 I196E168-V180 HydrophobicContact CB-CG1 4.07Å; E168-V180 HydrophobicContact CG-CG1 4.13Å; Y171-V180 HydrophobicContact CD2-CG2 3.76Å; Y171-V180 HydrophobicContact CG-CG2 3.71Å; W177-V180 WeakPolarHBondContact O-CB 3.47Å; W177-V180 PolarHBondContact O-N 2.9Å; K178-V180 VanDerWaalsContact C-N 3.29Å; K178-V180 PolarHBondContact O-N 3.06Å; V180-K182 VanDerWaalsContact C-N 3.29Å; V180-K182 PolarHBondContact O-N 3.31Å; V180-M183 HydrophobicContact CG1-CE 3.92Å; V180-M183 WeakPolarHBondContact O-CB 3.41Å; V180-M183 PolarHBondContact O-N 2.99Å; V180-Y184 HydrophobicContact CG1-CD2 3.69Å; V180-Y184 HydrophobicContact CG1-CE2 3.61Å; V180-Y184 WeakPolarHBondContact O-CD2 3.45Å; V180-Y184 PolarHBondContact O-N 2.83Å; V180-I196 HydrophobicContact CB-CD1 4.33Å; V180-I196 HydrophobicContact CB-CG2 4.38Å; V180-I196 HydrophobicContact CG1-CD1 3.39Å
181V89.8Confident88.6Confident19 Ų1960.3 Ų60.312%0.11532%0.317CS..Hα-helixtrans-62.2-39.6174.9170.90000111W177 K178 P179 R185 A193 I196 A197 L209W177-V181 HydrophobicContact CE3-CG2 3.91Å; W177-V181 HydrophobicContact CZ3-CG2 4.25Å; W177-V181 PolarHBondContact O-N 3.33Å; W177-V181 VanDerWaalsContact O-N 3.07Å; K178-V181 PolarHBondContact O-N 3.13Å; P179-V181 PolarHBondContact O-N 3.31Å; V181-R185 WeakPolarHBondContact O-CB 3.42Å; V181-R185 PolarHBondContact O-N 3.46Å; V181-A193 HydrophobicContact CG1-CB 4.41Å; V181-I196 HydrophobicContact CG2-CB 4.48Å; V181-I196 HydrophobicContact CG2-CG2 4.24Å; V181-A197 HydrophobicContact CG2-CB 4.17Å; V181-L209 HydrophobicContact CG1-CD1 3.88Å; V181-L209 HydrophobicContact CG1-CD2 3.8Å; V181-L209 HydrophobicContact CG1-CG 4.45Å
182K89.6Confident88.4Confident142 Ų14262.7 Ų62.762%0.61733%0.329SS*.Hα-helixtrans-65.1-42.7176.6-173.8-172.2174.1-165.40111.6K178 P179 V180 R185 A186K178-K182 PolarHBondContact O-N 3.39Å; P179-K182 CarbonylContact O-C 3.55Å; P179-K182 WeakPolarHBondContact O-CA 3.33Å; P179-K182 WeakPolarHBondContact O-CB 3.44Å; P179-K182 PolarHBondContact O-N 3.27Å; P179-K182 VanDerWaalsContact O-N 3.08Å; V180-K182 VanDerWaalsContact C-N 3.29Å; V180-K182 PolarHBondContact O-N 3.31Å; K182-R185 PolarHBondContact O-N 3.01Å; K182-A186 WeakPolarHBondContact O-CB 3.33Å; K182-A186 PolarHBondContact O-N 2.93Å
183M90.2Very high88.5Confident2 Ų261 Ų611%0.0132%0.321CS..Hα-helixtrans-60-58.4176.6176.6-16576.200110.6E159 F164 A167 Y171 P179 V180 R185 A186 V187E159-M183 HydrophobicContact CG-CG 4.01Å; E159-M183 HydrophobicContact CG-SD 4.35Å; F164-M183 HydrophobicContact CB-CE 3.94Å; F164-M183 HydrophobicContact CB-SD 4.22Å; F164-M183 HydrophobicContact CD1-CE 4.4Å; F164-M183 HydrophobicContact CD1-CG 3.8Å; F164-M183 HydrophobicContact CD1-SD 3.76Å; F164-M183 HydrophobicContact CE1-CG 4.34Å; F164-M183 HydrophobicContact CG-SD 4.47Å; F164-M183 WeakPolarHBondContact O-CE 3.48Å; A167-M183 HydrophobicContact CB-SD 3.83Å; Y171-M183 HydrophobicContact CE2-SD 4.47Å; P179-M183 WeakPolarHBondContact O-CB 3.46Å; P179-M183 PolarHBondContact O-N 3.23Å; V180-M183 HydrophobicContact CG1-CE 3.92Å; V180-M183 WeakPolarHBondContact O-CB 3.41Å; V180-M183 PolarHBondContact O-N 2.99Å; M183-R185 VanDerWaalsContact C-N 3.25Å; M183-R185 PolarHBondContact O-N 3.45Å; M183-A186 WeakPolarHBondContact O-CB 3.44Å; M183-A186 PolarHBondContact O-N 2.85Å; M183-V187 WeakPolarHBondContact O-CG2 3.16Å; M183-V187 PolarHBondContact O-N 3.1Å; M183-V187 VanDerWaalsContact O-N 3.12Å
184Y90.7Very high88.5Confident3 Ų357.1 Ų57.11%0.01230%0.299CS..Hα-helixtrans-61.3-34.3179.7-80.4-55.3000113.1F164 E168 V180 V187 G188 Q189 D192 I196F164-Y184 HydrophobicContact CB-CE1 4.17Å; E168-Y184 HydrophobicContact CB-CE2 4.3Å; E168-Y184 HydrophobicContact CG-CE2 4.49Å; E168-Y184 WeakPolarHBondContact OE2-CE2 3.47Å; E168-Y184 PolarHBondContact OE2-OH 3.41Å; V180-Y184 HydrophobicContact CG1-CD2 3.69Å; V180-Y184 HydrophobicContact CG1-CE2 3.61Å; V180-Y184 WeakPolarHBondContact O-CD2 3.45Å; V180-Y184 PolarHBondContact O-N 2.83Å; Y184-V187 PolarHBondContact O-N 2.81Å; Y184-G188 PolarHBondContact O-N 2.91Å; Y184-G188 VanDerWaalsContact O-N 3.08Å; Y184-Q189 HydrophobicContact CD1-CB 3.93Å; Y184-Q189 VanDerWaalsContact CD1-OE1 3.24Å; Y184-Q189 PolarHBondContact O-N 3.49Å; Y184-D192 HydrophobicContact CD1-CB 3.97Å; Y184-D192 HydrophobicContact CD2-CB 4.01Å; Y184-D192 HydrophobicContact CE1-CB 4Å; Y184-D192 HydrophobicContact CE2-CB 4.05Å; Y184-D192 HydrophobicContact CG-CB 3.98Å; Y184-I196 HydrophobicContact CD2-CD1 3.78Å; Y184-I196 HydrophobicContact CE2-CD1 3.47Å; Y184-I196 VanDerWaalsContact CE2-CD1 3.47Å
185R88.9Confident88.8Confident111 Ų11160.9 Ų60.942%0.41931%0.311SS..Hα-helixtrans-64-40.5172.8-171.9-177.472.7162.34.7112.3V181 K182 M183 V187 G188 W190V181-R185 WeakPolarHBondContact O-CB 3.42Å; V181-R185 PolarHBondContact O-N 3.46Å; K182-R185 PolarHBondContact O-N 3.01Å; M183-R185 VanDerWaalsContact C-N 3.25Å; M183-R185 PolarHBondContact O-N 3.45Å; R185-V187 VanDerWaalsContact C-N 3.3Å; R185-V187 PolarHBondContact O-N 3.47Å; R185-G188 PolarHBondContact O-N 3.23Å; R185-W190 HydrophobicContact CG-CE3 4.39Å; R185-W190 HydrophobicContact CG-CH2 3.62Å; R185-W190 HydrophobicContact CG-CZ2 4.12Å; R185-W190 HydrophobicContact CG-CZ3 3.76Å
186A87.1Confident89Confident87 Ų8755 Ų5572%0.71928%0.28SS*.Hα-helixtrans-65.9-33.6178.100000112.2K182 M183 G188K182-A186 WeakPolarHBondContact O-CB 3.33Å; K182-A186 PolarHBondContact O-N 2.93Å; M183-A186 WeakPolarHBondContact O-CB 3.44Å; M183-A186 PolarHBondContact O-N 2.85Å; A186-G188 VanDerWaalsContact C-N 3.32Å
187V87.7Confident89Confident62 Ų6254 Ų5438%0.37627%0.271SS..Hα-helixtrans-78.4-16.7176.1-176.90000112.4F164 M183 Y184 R185 Q189F164-V187 HydrophobicContact CD1-CG2 4.11Å; F164-V187 HydrophobicContact CD2-CG2 4.31Å; F164-V187 HydrophobicContact CE1-CG2 3.59Å; F164-V187 HydrophobicContact CE2-CG1 4.07Å; F164-V187 HydrophobicContact CE2-CG2 3.81Å; F164-V187 HydrophobicContact CG-CG2 4.45Å; F164-V187 HydrophobicContact CZ-CG1 4.43Å; F164-V187 HydrophobicContact CZ-CG2 3.42Å; F164-V187 VanDerWaalsContact CZ-CG2 3.42Å; M183-V187 WeakPolarHBondContact O-CG2 3.16Å; M183-V187 PolarHBondContact O-N 3.1Å; M183-V187 VanDerWaalsContact O-N 3.12Å; Y184-V187 PolarHBondContact O-N 2.81Å; R185-V187 VanDerWaalsContact C-N 3.3Å; R185-V187 PolarHBondContact O-N 3.47Å; V187-Q189 HydrophobicContact CG1-CG 4.1Å
188G84.6Confident88.9Confident42 Ų4257.9 Ų57.943%0.43329%0.289SS..THydrogen-bonded Turntrans84.510.8-176.500000114.3Y184 R185 A186 W190Y184-G188 PolarHBondContact O-N 2.91Å; Y184-G188 VanDerWaalsContact O-N 3.08Å; R185-G188 PolarHBondContact O-N 3.23Å; A186-G188 VanDerWaalsContact C-N 3.32Å; G188-W190 PolarHBondContact O-N 3.09Å; G188-W190 VanDerWaalsContact O-N 3.16Å
189Q88.1Confident88.8Confident84 Ų8456.8 Ų56.839%0.39329%0.286SS..  trans-86.673.9175.8-72-179.7-13.200110.5Y184 V187 E191 A193Y184-Q189 HydrophobicContact CD1-CB 3.93Å; Y184-Q189 VanDerWaalsContact CD1-OE1 3.24Å; Y184-Q189 PolarHBondContact O-N 3.49Å; V187-Q189 HydrophobicContact CG1-CG 4.1Å; Q189-E191 VanDerWaalsContact C-N 3.33Å; Q189-E191 PolarHBondContact O-N 3.35Å; Q189-A193 PolarHBondContact O-N 2.97Å
190W87.9Confident88.7Confident53 Ų5359.8 Ų59.820%0.20129%0.293CS..Hα-helixtrans-67.3-29.9-174.8-6594.6000114.4R185 G188 A193 Y194 L209 L212 W213 A216R185-W190 HydrophobicContact CG-CE3 4.39Å; R185-W190 HydrophobicContact CG-CH2 3.62Å; R185-W190 HydrophobicContact CG-CZ2 4.12Å; R185-W190 HydrophobicContact CG-CZ3 3.76Å; G188-W190 PolarHBondContact O-N 3.09Å; G188-W190 VanDerWaalsContact O-N 3.16Å; W190-A193 PolarHBondContact O-N 3.5Å; W190-Y194 WeakPolarHBondContact O-CB 3.35Å; W190-Y194 PolarHBondContact O-N 3.39Å; W190-L209 HydrophobicContact CE3-CD1 4.29Å; W190-L209 HydrophobicContact CZ3-CD1 4.08Å; W190-L212 HydrophobicContact CH2-CB 4.5Å; W190-L212 HydrophobicContact CZ3-CB 4.13Å; W190-W213 HydrophobicContact CB-CD2 3.44Å; W190-W213 VanDerWaalsContact CB-CD2 3.44Å; W190-W213 HydrophobicContact CB-CE3 3.93Å; W190-W213 HydrophobicContact CB-CG 3.77Å; W190-W213 HydrophobicContact CB-CH2 4.25Å; W190-W213 HydrophobicContact CB-CZ2 3.78Å; W190-W213 HydrophobicContact CB-CZ3 4.3Å; W190-W213 AromaticContact CD1-CD1 3.94Å; W190-W213 AromaticContact CD1-NE1 3.85Å; W190-W213 HydrophobicContact CD2-CB 4.08Å; W190-W213 AromaticContact CD2-CD1 3.67Å; W190-W213 HydrophobicContact CD2-CD2 4.45Å; W190-W213 AromaticContact CD2-CG 3.82Å; W190-W213 HydrophobicContact CD2-CG 3.82Å; W190-W213 HydrophobicContact CE3-CB 3.58Å; W190-W213 AromaticContact CE3-CG 3.81Å; W190-W213 HydrophobicContact CE3-CG 3.81Å; W190-W213 AromaticContact CG-CD1 3.52Å; W190-W213 HydrophobicContact CG-CD2 4.03Å; W190-W213 AromaticContact CG-CE2 3.93Å; W190-W213 AromaticContact CG-CG 3.83Å; W190-W213 HydrophobicContact CG-CG 3.83Å; W190-W213 AromaticContact CG-NE1 3.6Å; W190-W213 HydrophobicContact CZ3-CB 3.99Å; W190-A216 HydrophobicContact CH2-CB 4.26Å; W190-A216 HydrophobicContact CZ2-CB 3.86Å
191E87.5Confident88.1Confident122 Ų12260.8 Ų60.857%0.5730%0.303SS*.Hα-helixtrans-64-46.9179.4-72.9-174.2161.800111.8Q189 Y194 R195 W213 K228Q189-E191 VanDerWaalsContact C-N 3.33Å; Q189-E191 PolarHBondContact O-N 3.35Å; E191-Y194 PolarHBondContact O-N 3.18Å; E191-R195 PolarHBondContact O-N 3.21Å; E191-W213 HydrophobicContact CG-CH2 3.56Å; E191-W213 HydrophobicContact CG-CZ2 4.17Å; E191-W213 HydrophobicContact CG-CZ3 4.43Å; E191-K228 IonicContact OE1-NZ 2.67Å
192D88.3Confident88Confident53 Ų5361.6 Ų61.628%0.28332%0.315SS..Hα-helixtrans-67.3-40.4176.6-77.4-54.8000112.1Y184 Y194 R195 I196Y184-D192 HydrophobicContact CD1-CB 3.97Å; Y184-D192 HydrophobicContact CD2-CB 4.01Å; Y184-D192 HydrophobicContact CE1-CB 4Å; Y184-D192 HydrophobicContact CE2-CB 4.05Å; Y184-D192 HydrophobicContact CG-CB 3.98Å; D192-Y194 VanDerWaalsContact C-N 3.3Å; D192-Y194 PolarHBondContact O-N 2.94Å; D192-R195 WeakPolarHBondContact O-CB 3.29Å; D192-R195 PolarHBondContact O-N 2.93Å; D192-R195 IonicContact OD1-CZ 3.68Å; D192-R195 IonicContact OD1-NE 3.94Å; D192-R195 PolarHBondContact OD1-NE 3.46Å; D192-R195 IonicContact OD1-NH2 2.67Å; D192-R195 PolarHBondContact OD1-NH2 3.31Å; D192-I196 WeakPolarHBondContact O-CG1 3.28Å; D192-I196 PolarHBondContact O-N 3.48Å
193A89.3Confident87.7Confident0 Ų058.5 Ų58.50%031%0.312CS..Hα-helixtrans-57.8-44.217300000111.3V181 Q189 W190 I196 A197 L209V181-A193 HydrophobicContact CG1-CB 4.41Å; Q189-A193 PolarHBondContact O-N 2.97Å; W190-A193 PolarHBondContact O-N 3.5Å; A193-I196 PolarHBondContact O-N 3.03Å; A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 2.98Å; A193-L209 HydrophobicContact CB-CD2 3.65Å; A193-L209 WeakPolarHBondContact O-CD2 3.23Å
194Y88.4Confident87.5Confident25 Ų2565.5 Ų65.510%0.09834%0.344CS..Hα-helixtrans-67.2-41.4178.8-176.1-93.5000112.6W190 E191 D192 I196 A197 K198 A206 A210 L229W190-Y194 WeakPolarHBondContact O-CB 3.35Å; W190-Y194 PolarHBondContact O-N 3.39Å; E191-Y194 PolarHBondContact O-N 3.18Å; D192-Y194 VanDerWaalsContact C-N 3.3Å; D192-Y194 PolarHBondContact O-N 2.94Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.97Å; Y194-A197 PolarHBondContact O-N 3.41Å; Y194-K198 HydrophobicContact CE1-CD 4.09Å; Y194-K198 WeakPolarHBondContact O-CB 3.27Å; Y194-K198 PolarHBondContact O-N 3.42Å; Y194-A206 HydrophobicContact CE2-CB 3.98Å; Y194-A206 WeakPolarHBondContact CE2-O 3.3Å; Y194-A210 HydrophobicContact CD2-CB 4.44Å; Y194-A210 HydrophobicContact CE2-CB 4.03Å; Y194-L229 HydrophobicContact CD1-CD2 4.02Å; Y194-L229 HydrophobicContact CD2-CD1 4.3Å; Y194-L229 HydrophobicContact CE1-CD2 3.64Å; Y194-L229 HydrophobicContact CE2-CD1 4.03Å
195R90.4Very high87.3Confident89 Ų8965.7 Ų65.734%0.33635%0.347SS..Hα-helixtrans-54.1-51173.9174.117862.390.1-3111E168 E191 D192 K198 Q199E168-R195 IonicContact OE1-CZ 2.75Å; E168-R195 IonicContact OE1-NH1 3.13Å; E168-R195 PolarHBondContact OE1-NH1 3.29Å; E168-R195 IonicContact OE1-NH2 3.28Å; E168-R195 PolarHBondContact OE1-NH2 2.91Å; E168-R195 IonicContact OE2-NH2 3.03Å; E168-R195 PolarHBondContact OE2-NH2 3.07Å; E168-R195 VanDerWaalsContact OE2-NH2 3.09Å; E191-R195 PolarHBondContact O-N 3.21Å; D192-R195 WeakPolarHBondContact O-CB 3.29Å; D192-R195 PolarHBondContact O-N 2.93Å; D192-R195 IonicContact OD1-CZ 3.68Å; D192-R195 IonicContact OD1-NE 3.94Å; D192-R195 PolarHBondContact OD1-NE 3.46Å; D192-R195 IonicContact OD1-NH2 2.67Å; D192-R195 PolarHBondContact OD1-NH2 3.31Å; R195-K198 PolarHBondContact O-N 3.39Å; R195-Q199 WeakPolarHBondContact O-CG 3Å; R195-Q199 PolarHBondContact O-N 3.01Å
196I89.6Confident87.2Confident0 Ų060.7 Ų60.70%033%0.329CS..Hα-helixtrans-69.6-42.3-175.7-65.5173.3000111.2E168 L172 W177 V180 V181 Y184 D192 A193 Y194 K198 Q199 Y200E168-I196 HydrophobicContact CG-CD1 3.98Å; L172-I196 HydrophobicContact CD2-CG2 4.33Å; W177-I196 HydrophobicContact CB-CG2 4.07Å; V180-I196 HydrophobicContact CB-CD1 4.33Å; V180-I196 HydrophobicContact CB-CG2 4.38Å; V180-I196 HydrophobicContact CG1-CD1 3.39Å; V181-I196 HydrophobicContact CG2-CB 4.48Å; V181-I196 HydrophobicContact CG2-CG2 4.24Å; Y184-I196 HydrophobicContact CD2-CD1 3.78Å; Y184-I196 HydrophobicContact CE2-CD1 3.47Å; Y184-I196 VanDerWaalsContact CE2-CD1 3.47Å; D192-I196 WeakPolarHBondContact O-CG1 3.28Å; D192-I196 PolarHBondContact O-N 3.48Å; A193-I196 PolarHBondContact O-N 3.03Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.97Å; I196-K198 VanDerWaalsContact C-N 3.29Å; I196-K198 PolarHBondContact O-N 3.46Å; I196-Q199 PolarHBondContact O-N 3.18Å; I196-Y200 HydrophobicContact CG2-CD2 4.1Å; I196-Y200 PolarHBondContact O-N 2.98Å
197A89.1Confident87.3Confident1 Ų157.2 Ų57.21%0.00830%0.299CS..Hα-helixtrans-59.6-39.7175.400000112.1V181 A193 Y194 G201 G202 A205 L209V181-A197 HydrophobicContact CG2-CB 4.17Å; A193-A197 WeakPolarHBondContact O-CB 3.32Å; A193-A197 PolarHBondContact O-N 2.98Å; Y194-A197 PolarHBondContact O-N 3.41Å; A197-G201 CarbonylContact O-C 3.52Å; A197-G201 WeakPolarHBondContact O-CA 3.5Å; A197-G201 PolarHBondContact O-N 3.09Å; A197-G202 PolarHBondContact O-N 3.03Å; A197-A205 HydrophobicContact CB-CB 4.36Å; A197-L209 HydrophobicContact CB-CB 4.47Å; A197-L209 HydrophobicContact CB-CD2 3.88Å
198K88.2Confident87.2Confident132 Ų13258.4 Ų58.457%0.57430%0.3SS*.Hα-helixtrans-70.7-38.1178.3-172.9174.6179.9175.90112.9Y194 R195 I196 A206Y194-K198 HydrophobicContact CE1-CD 4.09Å; Y194-K198 WeakPolarHBondContact O-CB 3.27Å; Y194-K198 PolarHBondContact O-N 3.42Å; R195-K198 PolarHBondContact O-N 3.39Å; I196-K198 VanDerWaalsContact C-N 3.29Å; I196-K198 PolarHBondContact O-N 3.46Å; K198-A206 HydrophobicContact CB-CB 4.13Å
199Q88.9Confident87.4Confident122 Ų12256.6 Ų56.657%0.5728%0.281SS*.Hα-helixtrans-75.5-45.1-179.1-74.1178.9-13.700112.9R195 I196R195-Q199 WeakPolarHBondContact O-CG 3Å; R195-Q199 PolarHBondContact O-N 3.01Å; I196-Q199 PolarHBondContact O-N 3.18Å
200Y87.5Confident87.4Confident106 Ų10652.6 Ų52.642%0.41626%0.262SS..Hα-helixtrans-108.5-28.5-171.4-64.8-86.9000114.2L172 W177 I196L172-Y200 HydrophobicContact CD1-CE2 3.94Å; L172-Y200 HydrophobicContact CD2-CD1 4.27Å; L172-Y200 HydrophobicContact CD2-CD2 3.7Å; L172-Y200 HydrophobicContact CD2-CE1 4.06Å; L172-Y200 HydrophobicContact CD2-CE2 3.47Å; L172-Y200 VanDerWaalsContact CD2-CE2 3.47Å; L172-Y200 HydrophobicContact CD2-CG 4.1Å; L172-Y200 HydrophobicContact CG-CE2 4.32Å; W177-Y200 HydrophobicContact CB-CG 4.32Å; I196-Y200 HydrophobicContact CG2-CD2 4.1Å; I196-Y200 PolarHBondContact O-N 2.98Å
201G79.1Confident87.4Confident21 Ų2151.4 Ų51.422%0.21626%0.258CS..SBendtrans-94.4-5.3-177.800000114.9W177 A197 A205W177-G201 VanDerWaalsContact CZ2-CA 3.47Å; A197-G201 CarbonylContact O-C 3.52Å; A197-G201 WeakPolarHBondContact O-CA 3.5Å; A197-G201 PolarHBondContact O-N 3.09Å; G201-A205 VanDerWaalsContact O-CB 3.28Å; G201-A205 WeakPolarHBondContact O-CB 3.5Å
202G86.5Confident87.4Confident36 Ų3648.7 Ų48.737%0.37125%0.248SC..Hα-helixtrans72.1-170.9-176.900000113.9A197 E204 A206A197-G202 PolarHBondContact O-N 3.03Å; G202-E204 PolarHBondContact O-N 3.24Å; G202-A206 PolarHBondContact O-N 3.45Å
203S83.8Confident87.3Confident78 Ų7847.7 Ų47.755%0.54524%0.24SC..Hα-helixtrans-68.1-32.9-174.158.60000113.6A206 V207S203-A206 PolarHBondContact O-N 2.89Å; S203-V207 VanDerWaalsContact O-CG2 3.23Å; S203-V207 WeakPolarHBondContact O-CG2 3.47Å; S203-V207 PolarHBondContact O-N 3.32Å
204E85Confident87.2Confident148 Ų14847.7 Ų47.769%0.69224%0.24SC*.Hα-helixtrans-67.4-45.2-179.3-66.4-176.6175.200111.7G202 A206 V207 Q208G202-E204 PolarHBondContact O-N 3.24Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.92Å; E204-V207 PolarHBondContact O-N 2.82Å; E204-Q208 VanDerWaalsContact O-CG 3.3Å; E204-Q208 WeakPolarHBondContact O-CG 3.37Å; E204-Q208 PolarHBondContact O-N 3.48Å
205A86.5Confident87Confident8 Ų848.2 Ų48.27%0.06625%0.247CC..Hα-helixtrans-63.7-38.9176.500000112.1W177 A197 G201 Q208 L209W177-A205 HydrophobicContact CH2-CB 3.46Å; W177-A205 VanDerWaalsContact CH2-CB 3.46Å; W177-A205 HydrophobicContact CZ2-CB 4.26Å; W177-A205 HydrophobicContact CZ3-CB 3.89Å; A197-A205 HydrophobicContact CB-CB 4.36Å; G201-A205 VanDerWaalsContact O-CB 3.28Å; G201-A205 WeakPolarHBondContact O-CB 3.5Å; A205-Q208 PolarHBondContact O-N 3.47Å; A205-L209 WeakPolarHBondContact O-CB 3.2Å; A205-L209 PolarHBondContact O-N 3.44Å
206A88.3Confident86.8Confident5 Ų547 Ų474%0.04126%0.256CS..Hα-helixtrans-63.1-41175.200000111.9Y194 K198 G202 S203 E204 L209 A210Y194-A206 HydrophobicContact CE2-CB 3.98Å; Y194-A206 WeakPolarHBondContact CE2-O 3.3Å; K198-A206 HydrophobicContact CB-CB 4.13Å; G202-A206 PolarHBondContact O-N 3.45Å; S203-A206 PolarHBondContact O-N 2.89Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.92Å; A206-L209 PolarHBondContact O-N 3.39Å; A206-A210 VanDerWaalsContact O-CB 3.3Å; A206-A210 WeakPolarHBondContact O-CB 3.23Å; A206-A210 PolarHBondContact O-N 2.86Å
207V87.7Confident86.5Confident14 Ų1450.1 Ų50.19%0.08528%0.275CS..Hα-helixtrans-66.8-43.7176.6170.90000111.2S203 E204 L209 A210 F211 K234 V235 F238S203-V207 VanDerWaalsContact O-CG2 3.23Å; S203-V207 WeakPolarHBondContact O-CG2 3.47Å; S203-V207 PolarHBondContact O-N 3.32Å; E204-V207 PolarHBondContact O-N 2.82Å; V207-L209 VanDerWaalsContact C-N 3.31Å; V207-L209 PolarHBondContact O-N 3.23Å; V207-A210 PolarHBondContact O-N 3.15Å; V207-F211 WeakPolarHBondContact O-CB 3.25Å; V207-F211 PolarHBondContact O-N 3.47Å; V207-K234 HydrophobicContact CG1-CB 4.06Å; V207-K234 WeakPolarHBondContact CG1-O 3.28Å; V207-K234 HydrophobicContact CG2-CB 3.61Å; V207-K234 HydrophobicContact CG2-CD 3.97Å; V207-K234 HydrophobicContact CG2-CG 4.44Å; V207-V235 HydrophobicContact CG1-CG2 4.03Å; V207-F238 HydrophobicContact CG1-CB 3.79Å; V207-F238 HydrophobicContact CG1-CD2 4.36Å; V207-F238 HydrophobicContact CG1-CG 4.07Å
208Q87.1Confident86Confident87 Ų8758.2 Ų58.241%0.40731%0.305SS..Hα-helixtrans-55.8-46.1174.5-75.5172.913.900111.8E204 A205 F211 L212 F238E204-Q208 VanDerWaalsContact O-CG 3.3Å; E204-Q208 WeakPolarHBondContact O-CG 3.37Å; E204-Q208 PolarHBondContact O-N 3.48Å; A205-Q208 PolarHBondContact O-N 3.47Å; Q208-F211 WeakPolarHBondContact O-CB 3.41Å; Q208-F211 PolarHBondContact O-N 3.2Å; Q208-L212 WeakPolarHBondContact O-CG 3.08Å; Q208-L212 PolarHBondContact O-N 3.07Å; Q208-L212 VanDerWaalsContact O-N 3.07Å; Q208-F238 HydrophobicContact CB-CZ 4.24Å; Q208-F238 HydrophobicContact CG-CD2 4.39Å; Q208-F238 HydrophobicContact CG-CE1 4.19Å; Q208-F238 HydrophobicContact CG-CE2 3.46Å; Q208-F238 VanDerWaalsContact CG-CE2 3.46Å; Q208-F238 HydrophobicContact CG-CZ 3.37Å
209L88.2Confident85.6Confident5 Ų553 Ų533%0.02629%0.289CS..Hα-helixtrans-74.8-35.6-178.6-170.963.3000112.4V181 W190 A193 A197 A205 A206 V207 F211 L212 W213V181-L209 HydrophobicContact CG1-CD1 3.88Å; V181-L209 HydrophobicContact CG1-CD2 3.8Å; V181-L209 HydrophobicContact CG1-CG 4.45Å; W190-L209 HydrophobicContact CE3-CD1 4.29Å; W190-L209 HydrophobicContact CZ3-CD1 4.08Å; A193-L209 HydrophobicContact CB-CD2 3.65Å; A193-L209 WeakPolarHBondContact O-CD2 3.23Å; A197-L209 HydrophobicContact CB-CB 4.47Å; A197-L209 HydrophobicContact CB-CD2 3.88Å; A205-L209 WeakPolarHBondContact O-CB 3.2Å; A205-L209 PolarHBondContact O-N 3.44Å; A206-L209 PolarHBondContact O-N 3.39Å; V207-L209 VanDerWaalsContact C-N 3.31Å; V207-L209 PolarHBondContact O-N 3.23Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 2.96Å; L209-L212 HydrophobicContact CD1-CD1 4.48Å; L209-L212 PolarHBondContact O-N 3.39Å; L209-W213 WeakPolarHBondContact O-CB 3.4Å; L209-W213 PolarHBondContact O-N 3.2Å
210A87.2Confident85.2Confident0 Ų054 Ų540%029%0.294CS..Hα-helixtrans-61.3-40171.800000111.6Y194 A206 V207 W213 A214 L226 L229 V235Y194-A210 HydrophobicContact CD2-CB 4.44Å; Y194-A210 HydrophobicContact CE2-CB 4.03Å; A206-A210 VanDerWaalsContact O-CB 3.3Å; A206-A210 WeakPolarHBondContact O-CB 3.23Å; A206-A210 PolarHBondContact O-N 2.86Å; V207-A210 PolarHBondContact O-N 3.15Å; A210-W213 PolarHBondContact O-N 2.93Å; A210-A214 WeakPolarHBondContact O-CB 3.3Å; A210-A214 PolarHBondContact O-N 2.86Å; A210-L226 HydrophobicContact CB-CD2 4.17Å; A210-L229 HydrophobicContact CB-CD1 4.34Å; A210-V235 HydrophobicContact CB-CG2 3.79Å
211F88Confident85Confident28 Ų2851.6 Ų51.612%0.12330%0.295CS..Hα-helixtrans-60.4-46.6171.9169.9-102000111.9V207 Q208 L209 W213 A214 S215 V235 F238 A239 A244 F247V207-F211 WeakPolarHBondContact O-CB 3.25Å; V207-F211 PolarHBondContact O-N 3.47Å; Q208-F211 WeakPolarHBondContact O-CB 3.41Å; Q208-F211 PolarHBondContact O-N 3.2Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 2.96Å; F211-W213 PolarHBondContact O-N 3.43Å; F211-A214 PolarHBondContact O-N 2.88Å; F211-S215 WeakPolarHBondContact O-CB 3.38Å; F211-S215 PolarHBondContact O-N 3.45Å; F211-S215 PolarHBondContact O-OG 2.88Å; F211-V235 HydrophobicContact CB-CG1 4.05Å; F211-V235 HydrophobicContact CD2-CG1 4.31Å; F211-F238 HydrophobicContact CB-CD1 3.97Å; F211-F238 HydrophobicContact CB-CE1 4.27Å; F211-F238 HydrophobicContact CD1-CD1 4.14Å; F211-F238 AromaticContact CD1-CE1 3.86Å; F211-F238 HydrophobicContact CD1-CE1 3.86Å; F211-F238 HydrophobicContact CD2-CD1 4.41Å; F211-F238 HydrophobicContact CE1-CE1 4.47Å; F211-F238 AromaticContact CG-CD1 3.91Å; F211-F238 HydrophobicContact CG-CD1 3.91Å; F211-F238 HydrophobicContact CG-CE1 4.1Å; F211-A239 HydrophobicContact CD2-CB 3.89Å; F211-A239 HydrophobicContact CE2-CB 3.63Å; F211-A244 HydrophobicContact CE2-CB 4.1Å; F211-A244 HydrophobicContact CZ-CB 3.93Å; F211-F247 HydrophobicContact CD2-CD1 4.1Å; F211-F247 AromaticContact CD2-CE1 3.74Å; F211-F247 HydrophobicContact CD2-CE1 3.74Å; F211-F247 AromaticContact CE2-CD1 3.71Å; F211-F247 HydrophobicContact CE2-CD1 3.71Å; F211-F247 AromaticContact CE2-CE1 3.81Å; F211-F247 HydrophobicContact CE2-CE1 3.81Å
212L87.6Confident85.2Confident65 Ų6550.6 Ų50.634%0.3429%0.285SS..Hα-helixtrans-64.3-38.1176.8-70.5173.5000112.8W190 Q208 L209 S215 A216W190-L212 HydrophobicContact CH2-CB 4.5Å; W190-L212 HydrophobicContact CZ3-CB 4.13Å; Q208-L212 WeakPolarHBondContact O-CG 3.08Å; Q208-L212 PolarHBondContact O-N 3.07Å; Q208-L212 VanDerWaalsContact O-N 3.07Å; L209-L212 HydrophobicContact CD1-CD1 4.48Å; L209-L212 PolarHBondContact O-N 3.39Å; L212-S215 WeakPolarHBondContact CA-OG 3.42Å; L212-S215 PolarHBondContact O-OG 2.92Å; L212-A216 PolarHBondContact O-N 3.38Å
213W87.8Confident84.9Confident31 Ų3149.3 Ų49.312%0.11727%0.27CS..Hα-helixtrans-69.1-46.7177.5-172.24.9000111.2W190 E191 L209 A210 F211 S215 A216 V217 L225 L229W190-W213 HydrophobicContact CB-CD2 3.44Å; W190-W213 VanDerWaalsContact CB-CD2 3.44Å; W190-W213 HydrophobicContact CB-CE3 3.93Å; W190-W213 HydrophobicContact CB-CG 3.77Å; W190-W213 HydrophobicContact CB-CH2 4.25Å; W190-W213 HydrophobicContact CB-CZ2 3.78Å; W190-W213 HydrophobicContact CB-CZ3 4.3Å; W190-W213 AromaticContact CD1-CD1 3.94Å; W190-W213 AromaticContact CD1-NE1 3.85Å; W190-W213 HydrophobicContact CD2-CB 4.08Å; W190-W213 AromaticContact CD2-CD1 3.67Å; W190-W213 HydrophobicContact CD2-CD2 4.45Å; W190-W213 AromaticContact CD2-CG 3.82Å; W190-W213 HydrophobicContact CD2-CG 3.82Å; W190-W213 HydrophobicContact CE3-CB 3.58Å; W190-W213 AromaticContact CE3-CG 3.81Å; W190-W213 HydrophobicContact CE3-CG 3.81Å; W190-W213 AromaticContact CG-CD1 3.52Å; W190-W213 HydrophobicContact CG-CD2 4.03Å; W190-W213 AromaticContact CG-CE2 3.93Å; W190-W213 AromaticContact CG-CG 3.83Å; W190-W213 HydrophobicContact CG-CG 3.83Å; W190-W213 AromaticContact CG-NE1 3.6Å; W190-W213 HydrophobicContact CZ3-CB 3.99Å; E191-W213 HydrophobicContact CG-CH2 3.56Å; E191-W213 HydrophobicContact CG-CZ2 4.17Å; E191-W213 HydrophobicContact CG-CZ3 4.43Å; L209-W213 WeakPolarHBondContact O-CB 3.4Å; L209-W213 PolarHBondContact O-N 3.2Å; A210-W213 PolarHBondContact O-N 2.93Å; F211-W213 PolarHBondContact O-N 3.43Å; W213-S215 VanDerWaalsContact C-N 3.32Å; W213-S215 PolarHBondContact O-N 3.25Å; W213-A216 WeakPolarHBondContact O-CB 3.18Å; W213-A216 PolarHBondContact O-N 3.39Å; W213-A216 VanDerWaalsContact O-N 3.15Å; W213-V217 PolarHBondContact O-N 3.3Å; W213-L225 HydrophobicContact CB-CD2 4.18Å; W213-L225 HydrophobicContact CD2-CD1 4.03Å; W213-L225 HydrophobicContact CD2-CD2 3.38Å; W213-L225 HydrophobicContact CD2-CG 4.27Å; W213-L225 HydrophobicContact CE3-CD1 3.96Å; W213-L225 HydrophobicContact CE3-CD2 3.91Å; W213-L225 HydrophobicContact CE3-CG 4.41Å; W213-L225 HydrophobicContact CG-CD2 3.51Å; W213-L225 HydrophobicContact CH2-CD1 3.44Å; W213-L225 VanDerWaalsContact CH2-CD1 3.44Å; W213-L225 HydrophobicContact CZ2-CD1 3.53Å; W213-L225 HydrophobicContact CZ2-CD2 4.17Å; W213-L225 HydrophobicContact CZ2-CG 4.49Å; W213-L225 HydrophobicContact CZ3-CD1 3.68Å; W213-L225 HydrophobicContact CZ3-CD2 4.5Å; W213-L229 HydrophobicContact CE3-CD1 4.25Å; W213-L229 HydrophobicContact CZ3-CD1 4.16Å
214A86Confident84.9Confident0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-64.8-36.1178.900000112.1A210 F211 A216 V217 R218 A222 L226 F247A210-A214 WeakPolarHBondContact O-CB 3.3Å; A210-A214 PolarHBondContact O-N 2.86Å; F211-A214 PolarHBondContact O-N 2.88Å; A214-A216 VanDerWaalsContact C-N 3.32Å; A214-A216 PolarHBondContact O-N 3.1Å; A214-V217 PolarHBondContact O-N 3.43Å; A214-R218 PolarHBondContact O-N 2.96Å; A214-A222 HydrophobicContact CB-CB 4.1Å; A214-A222 WeakPolarHBondContact O-CB 2.92Å; A214-L226 HydrophobicContact CB-CD1 3.93Å; A214-L226 HydrophobicContact CB-CD2 4.05Å; A214-L226 HydrophobicContact CB-CG 3.98Å; A214-F247 HydrophobicContact CB-CE2 4.5Å; A214-F247 HydrophobicContact CB-CZ 3.67Å
215S84.9Confident85Confident36 Ų3645.8 Ų45.825%0.25225%0.247SC..Hα-helixtrans-70.7-23.5174.857.40000114.2F211 L212 W213 R218F211-S215 WeakPolarHBondContact O-CB 3.38Å; F211-S215 PolarHBondContact O-N 3.45Å; F211-S215 PolarHBondContact O-OG 2.88Å; L212-S215 WeakPolarHBondContact CA-OG 3.42Å; L212-S215 PolarHBondContact O-OG 2.92Å; W213-S215 VanDerWaalsContact C-N 3.32Å; W213-S215 PolarHBondContact O-N 3.25Å; S215-R218 VanDerWaalsContact O-CG 3.27Å; S215-R218 WeakPolarHBondContact O-CG 3.46Å
216A85.5Confident84.9Confident63 Ų6345.4 Ų45.452%0.52124%0.244SC..Hα-helixtrans-77.2-36.6173.700000112.8W190 L212 W213 A214W190-A216 HydrophobicContact CH2-CB 4.26Å; W190-A216 HydrophobicContact CZ2-CB 3.86Å; L212-A216 PolarHBondContact O-N 3.38Å; W213-A216 WeakPolarHBondContact O-CB 3.18Å; W213-A216 PolarHBondContact O-N 3.39Å; W213-A216 VanDerWaalsContact O-N 3.15Å; A214-A216 VanDerWaalsContact C-N 3.32Å; A214-A216 PolarHBondContact O-N 3.1Å
217V83.7Confident84.7Confident67 Ų6749.8 Ų49.841%0.40626%0.264SS..Hα-helixtrans-82.9-40.9-178.2179.60000112.2W213 A214 A221W213-V217 PolarHBondContact O-N 3.3Å; A214-V217 PolarHBondContact O-N 3.43Å; V217-A221 HydrophobicContact CG1-CB 3.44Å; V217-A221 VanDerWaalsContact CG1-CB 3.44Å
218R78Confident84.6Confident171 Ų17156.7 Ų56.765%0.64529%0.292SS*.  trans54.6165.6-175-58.9-166.7177.6-162-2.1115.2A214 S215A214-R218 PolarHBondContact O-N 2.96Å; S215-R218 VanDerWaalsContact O-CG 3.27Å; S215-R218 WeakPolarHBondContact O-CG 3.46Å
219G79.7Confident84.5Confident22 Ų2254.2 Ų54.223%0.22728%0.282CS..Hα-helixtrans65.7-155.7176.400000116A221 A222 V223 E250G219-A221 PolarHBondContact O-N 3.5Å; G219-A222 WeakPolarHBondContact O-CB 3.4Å; G219-A222 PolarHBondContact O-N 3.23Å; G219-A222 VanDerWaalsContact O-N 3.08Å; G219-V223 PolarHBondContact O-N 3.03Å; G219-E250 WeakPolarHBondContact CA-OE1 3.47Å; G219-E250 PolarHBondContact N-OE1 2.95Å
220E80.5Confident84.3Confident144 Ų14461.4 Ų61.467%0.67332%0.32SS*.Hα-helixtrans-59.1-33.3-177.1-67.3-177.9174.200113.1A222 V223 M224 L254E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 2.92Å; E220-V223 WeakPolarHBondContact O-CB 3.09Å; E220-V223 PolarHBondContact O-N 2.94Å; E220-V223 VanDerWaalsContact O-N 3.12Å; E220-M224 WeakPolarHBondContact O-CG 3.44Å; E220-M224 PolarHBondContact O-N 3.29Å; E220-L254 HydrophobicContact CG-CD1 4.43Å; E220-L254 HydrophobicContact CG-CD2 4.36Å
221A83.3Confident84Confident54 Ų5461.9 Ų61.945%0.44632%0.323SS..Hα-helixtrans-65.6-33.2178.100000112.3V217 G219 L225V217-A221 HydrophobicContact CG1-CB 3.44Å; V217-A221 VanDerWaalsContact CG1-CB 3.44Å; G219-A221 PolarHBondContact O-N 3.5Å; A221-L225 WeakPolarHBondContact O-CB 3.31Å; A221-L225 PolarHBondContact O-N 3.2Å
222A83.3Confident83.7Confident1 Ų161 Ų611%0.00832%0.32CS..Hα-helixtrans-66.8-38.3171.900000111.8A214 G219 E220 L225 L226A214-A222 HydrophobicContact CB-CB 4.1Å; A214-A222 WeakPolarHBondContact O-CB 2.92Å; G219-A222 WeakPolarHBondContact O-CB 3.4Å; G219-A222 PolarHBondContact O-N 3.23Å; G219-A222 VanDerWaalsContact O-N 3.08Å; E220-A222 VanDerWaalsContact C-N 3.3Å; E220-A222 PolarHBondContact O-N 2.92Å; A222-L225 PolarHBondContact O-N 3.47Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 2.83Å
223V81.8Confident83.5Confident8 Ų861.8 Ų61.85%0.04833%0.325CS..Hα-helixtrans-66.3-46.7176.9-179.80000111G219 E220 L225 L226 Q227 I251 L254 F256G219-V223 PolarHBondContact O-N 3.03Å; E220-V223 WeakPolarHBondContact O-CB 3.09Å; E220-V223 PolarHBondContact O-N 2.94Å; E220-V223 VanDerWaalsContact O-N 3.12Å; V223-L225 VanDerWaalsContact C-N 3.27Å; V223-L225 PolarHBondContact O-N 3.34Å; V223-L226 PolarHBondContact O-N 2.97Å; V223-Q227 HydrophobicContact CG1-CG 4.41Å; V223-Q227 WeakPolarHBondContact O-CB 3.33Å; V223-Q227 WeakPolarHBondContact O-CG 3.49Å; V223-Q227 PolarHBondContact O-N 3.38Å; V223-I251 HydrophobicContact CG2-CG1 4.47Å; V223-I251 HydrophobicContact CG2-CG2 4.47Å; V223-L254 HydrophobicContact CG2-CB 3.85Å; V223-L254 HydrophobicContact CG2-CD1 4.27Å; V223-F256 HydrophobicContact CG1-CE2 4.49Å
224M84Confident83.3Confident131 Ų13166 Ų6665%0.64534%0.344SS*.Hα-helixtrans-59.3-40.1176.4-70.2-175.971.500111.9E220 K228E220-M224 WeakPolarHBondContact O-CG 3.44Å; E220-M224 PolarHBondContact O-N 3.29Å; M224-K228 WeakPolarHBondContact O-CB 3.49Å; M224-K228 PolarHBondContact O-N 3.12Å
225L85.1Confident83.2Confident21 Ų2166 Ų6611%0.1134%0.344CS..Hα-helixtrans-62.7-50.3175.617467.7000111.7W213 A221 A222 V223 Q227 K228 L229W213-L225 HydrophobicContact CB-CD2 4.18Å; W213-L225 HydrophobicContact CD2-CD1 4.03Å; W213-L225 HydrophobicContact CD2-CD2 3.38Å; W213-L225 HydrophobicContact CD2-CG 4.27Å; W213-L225 HydrophobicContact CE3-CD1 3.96Å; W213-L225 HydrophobicContact CE3-CD2 3.91Å; W213-L225 HydrophobicContact CE3-CG 4.41Å; W213-L225 HydrophobicContact CG-CD2 3.51Å; W213-L225 HydrophobicContact CH2-CD1 3.44Å; W213-L225 VanDerWaalsContact CH2-CD1 3.44Å; W213-L225 HydrophobicContact CZ2-CD1 3.53Å; W213-L225 HydrophobicContact CZ2-CD2 4.17Å; W213-L225 HydrophobicContact CZ2-CG 4.49Å; W213-L225 HydrophobicContact CZ3-CD1 3.68Å; W213-L225 HydrophobicContact CZ3-CD2 4.5Å; A221-L225 WeakPolarHBondContact O-CB 3.31Å; A221-L225 PolarHBondContact O-N 3.2Å; A222-L225 PolarHBondContact O-N 3.47Å; V223-L225 VanDerWaalsContact C-N 3.27Å; V223-L225 PolarHBondContact O-N 3.34Å; L225-Q227 VanDerWaalsContact C-N 3.3Å; L225-Q227 PolarHBondContact O-N 3.08Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.2Å; L225-K228 VanDerWaalsContact O-N 3.15Å; L225-L229 HydrophobicContact CD1-CD1 4.04Å; L225-L229 HydrophobicContact CD1-CG 4.33Å; L225-L229 HydrophobicContact CG-CD1 4.14Å; L225-L229 WeakPolarHBondContact O-CG 3.01Å; L225-L229 PolarHBondContact O-N 3.2Å
226L85.2Confident83.1Confident1 Ų164.6 Ų64.61%0.00533%0.334CS..Hα-helixtrans-66.5-33.4-178.6-67.8174.7000112.3A210 A214 A222 V223 L229 D230 C231 V232 V235 I251A210-L226 HydrophobicContact CB-CD2 4.17Å; A214-L226 HydrophobicContact CB-CD1 3.93Å; A214-L226 HydrophobicContact CB-CD2 4.05Å; A214-L226 HydrophobicContact CB-CG 3.98Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.48Å; A222-L226 PolarHBondContact O-N 2.83Å; V223-L226 PolarHBondContact O-N 2.97Å; L226-L229 PolarHBondContact O-N 3.46Å; L226-D230 PolarHBondContact O-N 2.82Å; L226-D230 VanDerWaalsContact O-N 3.09Å; L226-C231 PolarHBondContact O-N 3.11Å; L226-V232 HydrophobicContact CB-CG2 3.67Å; L226-V235 HydrophobicContact CD1-CG1 4.02Å; L226-V235 HydrophobicContact CD2-CB 4.14Å; L226-V235 HydrophobicContact CD2-CG1 4.04Å; L226-V235 HydrophobicContact CD2-CG2 3.82Å; L226-I251 HydrophobicContact CD1-CD1 3.62Å; L226-I251 HydrophobicContact CD1-CG1 4.5Å; L226-I251 HydrophobicContact CD1-CG2 4.43Å
227Q84.5Confident83.1Confident97 Ų9763.5 Ų63.545%0.45332%0.323SS..Hα-helixtrans-63.6-44.5170.2-78177-12.700111.6V223 L225 L229 D230 V232 F256V223-Q227 HydrophobicContact CG1-CG 4.41Å; V223-Q227 WeakPolarHBondContact O-CB 3.33Å; V223-Q227 WeakPolarHBondContact O-CG 3.49Å; V223-Q227 PolarHBondContact O-N 3.38Å; L225-Q227 VanDerWaalsContact C-N 3.3Å; L225-Q227 PolarHBondContact O-N 3.08Å; Q227-L229 PolarHBondContact O-N 3.24Å; Q227-D230 PolarHBondContact O-N 2.98Å; Q227-V232 HydrophobicContact CG-CG2 4.42Å; Q227-F256 HydrophobicContact CG-CE2 3.85Å; Q227-F256 HydrophobicContact CG-CZ 3.75Å
228K86.3Confident83.2Confident158 Ų15861.9 Ų61.969%0.68731%0.31SS*.Hα-helixtrans-61-33175.5-175.2-176.4176-170.30112.2E191 M224 L225E191-K228 IonicContact OE1-NZ 2.67Å; M224-K228 WeakPolarHBondContact O-CB 3.49Å; M224-K228 PolarHBondContact O-N 3.12Å; L225-K228 WeakPolarHBondContact O-CB 3.29Å; L225-K228 PolarHBondContact O-N 3.2Å; L225-K228 VanDerWaalsContact O-N 3.15Å
229L83.6Confident83.5Confident36 Ų3653.7 Ų53.719%0.18828%0.28CS..THydrogen-bonded Turntrans-88.9-5.3-179.2-64.3178.4000114.2Y194 A210 W213 L225 L226 Q227 C231Y194-L229 HydrophobicContact CD1-CD2 4.02Å; Y194-L229 HydrophobicContact CD2-CD1 4.3Å; Y194-L229 HydrophobicContact CE1-CD2 3.64Å; Y194-L229 HydrophobicContact CE2-CD1 4.03Å; A210-L229 HydrophobicContact CB-CD1 4.34Å; W213-L229 HydrophobicContact CE3-CD1 4.25Å; W213-L229 HydrophobicContact CZ3-CD1 4.16Å; L225-L229 HydrophobicContact CD1-CD1 4.04Å; L225-L229 HydrophobicContact CD1-CG 4.33Å; L225-L229 HydrophobicContact CG-CD1 4.14Å; L225-L229 WeakPolarHBondContact O-CG 3.01Å; L225-L229 PolarHBondContact O-N 3.2Å; L226-L229 PolarHBondContact O-N 3.46Å; Q227-L229 PolarHBondContact O-N 3.24Å; L229-C231 VanDerWaalsContact CB-SG 3.57Å; L229-C231 PolarHBondContact O-N 3.24Å
230D83.4Confident83.8Confident155 Ų15553 Ų5383%0.82927%0.271SS*.THydrogen-bonded Turntrans49.837.2-177.5-161.933.1000113.8L226 Q227L226-D230 PolarHBondContact O-N 2.82Å; L226-D230 VanDerWaalsContact O-N 3.09Å; Q227-D230 PolarHBondContact O-N 2.98Å
231C81.5Confident84Confident10 Ų1051.2 Ų51.27%0.06827%0.266CS..  trans-125.911.7-173.768.70000114.2L226 L229 D233 K234 V235L226-C231 PolarHBondContact O-N 3.11Å; L229-C231 VanDerWaalsContact CB-SG 3.57Å; L229-C231 PolarHBondContact O-N 3.24Å; C231-D233 VanDerWaalsContact C-N 3.3Å; C231-D233 PolarHBondContact O-N 3.12Å; C231-K234 PolarHBondContact O-N 2.92Å; C231-K234 VanDerWaalsContact O-N 3.16Å; C231-V235 WeakPolarHBondContact O-CG2 3.39Å; C231-V235 PolarHBondContact O-N 2.98Å
232V82.2Confident84Confident10 Ų1054.2 Ų54.26%0.06127%0.271CS..Hα-helixtrans-52.5-49.2-175.4-176.40000111.4L226 Q227 K234 V235 V236 I251 F256L226-V232 HydrophobicContact CB-CG2 3.67Å; Q227-V232 HydrophobicContact CG-CG2 4.42Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.27Å; V232-V235 PolarHBondContact O-N 3.35Å; V232-V236 HydrophobicContact CG1-CG2 4.1Å; V232-V236 WeakPolarHBondContact O-CG2 3.36Å; V232-V236 PolarHBondContact O-N 2.92Å; V232-I251 HydrophobicContact CG1-CG2 4.19Å; V232-F256 HydrophobicContact CB-CD2 4.4Å; V232-F256 HydrophobicContact CB-CE2 4.01Å; V232-F256 HydrophobicContact CB-CZ 4.24Å; V232-F256 HydrophobicContact CG1-CD2 3.55Å; V232-F256 HydrophobicContact CG1-CE2 3.61Å; V232-F256 HydrophobicContact CG1-CG 4.16Å; V232-F256 HydrophobicContact CG1-CZ 4.25Å; V232-F256 HydrophobicContact CG2-CD2 4.37Å; V232-F256 HydrophobicContact CG2-CE2 3.55Å; V232-F256 HydrophobicContact CG2-CZ 3.73Å
233D82.5Confident83.9Confident82 Ų8255.8 Ų55.844%0.43929%0.287SS..Hα-helixtrans-56.8-42.2-176.9-79.7-21.8000113.4C231 S237 K259C231-D233 VanDerWaalsContact C-N 3.3Å; C231-D233 PolarHBondContact O-N 3.12Å; D233-S237 PolarHBondContact O-N 3.03Å; D233-S237 PolarHBondContact O-OG 3.25Å; D233-K259 VanDerWaalsContact OD1-CD 3.31Å; D233-K259 WeakPolarHBondContact OD1-CD 3.39Å; D233-K259 WeakPolarHBondContact OD1-CE 3.3Å; D233-K259 IonicContact OD1-NZ 2.83Å; D233-K259 PolarHBondContact OD1-NZ 3.48Å; D233-K259 IonicContact OD2-NZ 3.89Å
234K84Confident84Confident118 Ų11856.8 Ų56.851%0.51330%0.296SS..Hα-helixtrans-77.8-35-178.5-61.6-179.5-177.9177.10111.4V207 C231 V232 S237 F238V207-K234 HydrophobicContact CG1-CB 4.06Å; V207-K234 WeakPolarHBondContact CG1-O 3.28Å; V207-K234 HydrophobicContact CG2-CB 3.61Å; V207-K234 HydrophobicContact CG2-CD 3.97Å; V207-K234 HydrophobicContact CG2-CG 4.44Å; C231-K234 PolarHBondContact O-N 2.92Å; C231-K234 VanDerWaalsContact O-N 3.16Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.27Å; K234-S237 WeakPolarHBondContact CA-OG 3.5Å; K234-S237 PolarHBondContact O-OG 3.26Å; K234-F238 WeakPolarHBondContact O-CB 3.17Å; K234-F238 PolarHBondContact O-N 3.31Å
235V83.9Confident84Confident0 Ų051.3 Ų51.30%027%0.269CS..Hα-helixtrans-70.3-39.4177.3170.70000111V207 A210 F211 L226 C231 V232 F238 A239V207-V235 HydrophobicContact CG1-CG2 4.03Å; A210-V235 HydrophobicContact CB-CG2 3.79Å; F211-V235 HydrophobicContact CB-CG1 4.05Å; F211-V235 HydrophobicContact CD2-CG1 4.31Å; L226-V235 HydrophobicContact CD1-CG1 4.02Å; L226-V235 HydrophobicContact CD2-CB 4.14Å; L226-V235 HydrophobicContact CD2-CG1 4.04Å; L226-V235 HydrophobicContact CD2-CG2 3.82Å; C231-V235 WeakPolarHBondContact O-CG2 3.39Å; C231-V235 PolarHBondContact O-N 2.98Å; V232-V235 PolarHBondContact O-N 3.35Å; V235-F238 PolarHBondContact O-N 2.92Å; V235-A239 VanDerWaalsContact O-CB 3.29Å; V235-A239 WeakPolarHBondContact O-CB 3.47Å; V235-A239 PolarHBondContact O-N 3.37Å
236V83.9Confident84Confident7 Ų756.6 Ų56.64%0.04230%0.297CS..Hα-helixtrans-63.9-47.9174.9171.40000110.5V232 F238 A239 C240 A248 I251 V263V232-V236 HydrophobicContact CG1-CG2 4.1Å; V232-V236 WeakPolarHBondContact O-CG2 3.36Å; V232-V236 PolarHBondContact O-N 2.92Å; V236-F238 VanDerWaalsContact C-N 3.31Å; V236-F238 PolarHBondContact O-N 3.34Å; V236-A239 PolarHBondContact O-N 3.03Å; V236-C240 PolarHBondContact O-N 3.19Å; V236-C240 PolarHBondContact O-SG 3.3Å; V236-A248 HydrophobicContact CG1-CB 4.45Å; V236-I251 HydrophobicContact CG2-CG2 4.14Å; V236-V263 HydrophobicContact CG1-CG2 3.48Å; V236-V263 VanDerWaalsContact CG1-CG2 3.48Å
237S84.6Confident83.9Confident41 Ų4157.6 Ų57.629%0.28730%0.301SS..Hα-helixtrans-60.1-43.3176.663.40000111.7D233 K234 C240 D241D233-S237 PolarHBondContact O-N 3.03Å; D233-S237 PolarHBondContact O-OG 3.25Å; K234-S237 WeakPolarHBondContact CA-OG 3.5Å; K234-S237 PolarHBondContact O-OG 3.26Å; S237-C240 WeakPolarHBondContact O-CB 3.49Å; S237-C240 PolarHBondContact O-N 3.27Å; S237-D241 PolarHBondContact O-N 3.43Å
238F86.1Confident83.8Confident32 Ų3253 Ų5314%0.1428%0.28CS..Hα-helixtrans-63.5-41.1177.9-176.3-89.7000112.6V207 Q208 F211 K234 V235 V236 C240 D241 H242V207-F238 HydrophobicContact CG1-CB 3.79Å; V207-F238 HydrophobicContact CG1-CD2 4.36Å; V207-F238 HydrophobicContact CG1-CG 4.07Å; Q208-F238 HydrophobicContact CB-CZ 4.24Å; Q208-F238 HydrophobicContact CG-CD2 4.39Å; Q208-F238 HydrophobicContact CG-CE1 4.19Å; Q208-F238 HydrophobicContact CG-CE2 3.46Å; Q208-F238 VanDerWaalsContact CG-CE2 3.46Å; Q208-F238 HydrophobicContact CG-CZ 3.37Å; F211-F238 HydrophobicContact CB-CD1 3.97Å; F211-F238 HydrophobicContact CB-CE1 4.27Å; F211-F238 HydrophobicContact CD1-CD1 4.14Å; F211-F238 AromaticContact CD1-CE1 3.86Å; F211-F238 HydrophobicContact CD1-CE1 3.86Å; F211-F238 HydrophobicContact CD2-CD1 4.41Å; F211-F238 HydrophobicContact CE1-CE1 4.47Å; F211-F238 AromaticContact CG-CD1 3.91Å; F211-F238 HydrophobicContact CG-CD1 3.91Å; F211-F238 HydrophobicContact CG-CE1 4.1Å; K234-F238 WeakPolarHBondContact O-CB 3.17Å; K234-F238 PolarHBondContact O-N 3.31Å; V235-F238 PolarHBondContact O-N 2.92Å; V236-F238 VanDerWaalsContact C-N 3.31Å; V236-F238 PolarHBondContact O-N 3.34Å; F238-C240 VanDerWaalsContact C-N 3.35Å; F238-D241 PolarHBondContact O-N 2.99Å; F238-H242 AromaticContact CD1-ND1 3.74Å; F238-H242 AromaticContact CD2-CE1 3.72Å; F238-H242 AromaticContact CD2-ND1 3.98Å; F238-H242 AromaticContact CE1-CE1 3.49Å; F238-H242 VanDerWaalsContact CE1-CE1 3.49Å; F238-H242 WeakPolarHBondContact CE1-CE1 3.3Å; F238-H242 AromaticContact CE1-CG 3.95Å; F238-H242 AromaticContact CE1-ND1 3.44Å; F238-H242 WeakPolarHBondContact CE1-ND1 3.2Å; F238-H242 AromaticContact CE1-NE2 3.94Å; F238-H242 AromaticContact CE2-CE1 3.09Å; F238-H242 WeakPolarHBondContact CE2-CE1 3.29Å; F238-H242 AromaticContact CE2-ND1 3.72Å; F238-H242 AromaticContact CE2-NE2 3.83Å; F238-H242 AromaticContact CG-ND1 3.98Å; F238-H242 AromaticContact CZ-CE1 2.92Å; F238-H242 WeakPolarHBondContact CZ-CE1 3.44Å; F238-H242 AromaticContact CZ-ND1 3.4Å; F238-H242 WeakPolarHBondContact CZ-ND1 3.31Å; F238-H242 AromaticContact CZ-NE2 3.31Å; F238-H242 VanDerWaalsContact CZ-NE2 3.31Å; F238-H242 WeakPolarHBondContact CZ-NE2 3.43Å; F238-H242 PolarHBondContact O-N 3.42Å; F238-H242 VanDerWaalsContact O-N 3.13Å; F238-H242 PolarHBondContact O-ND1 2.98Å
239A85Confident83.7Confident0 Ų046.3 Ų46.30%025%0.251CS..Hα-helixtrans-62.4-41.5176.200000111.7F211 V235 V236 H242 G243 A244 F247 A248F211-A239 HydrophobicContact CD2-CB 3.89Å; F211-A239 HydrophobicContact CE2-CB 3.63Å; V235-A239 VanDerWaalsContact O-CB 3.29Å; V235-A239 WeakPolarHBondContact O-CB 3.47Å; V235-A239 PolarHBondContact O-N 3.37Å; V236-A239 PolarHBondContact O-N 3.03Å; A239-H242 PolarHBondContact O-N 2.92Å; A239-G243 PolarHBondContact O-N 3.45Å; A239-A244 HydrophobicContact CB-CB 4.47Å; A239-A244 PolarHBondContact O-N 3.44Å; A239-F247 HydrophobicContact CB-CD1 4.22Å; A239-A248 HydrophobicContact CB-CB 4.18Å
240C84.6Confident83.7Confident8 Ų848 Ų485%0.05426%0.258CS..Hα-helixtrans-61.8-43.3174.2-65.20000111.9V236 S237 F238 H242 G243 F245 K266V236-C240 PolarHBondContact O-N 3.19Å; V236-C240 PolarHBondContact O-SG 3.3Å; S237-C240 WeakPolarHBondContact O-CB 3.49Å; S237-C240 PolarHBondContact O-N 3.27Å; F238-C240 VanDerWaalsContact C-N 3.35Å; C240-H242 PolarHBondContact O-N 3.29Å; C240-G243 PolarHBondContact O-N 3.45Å; C240-G243 VanDerWaalsContact O-N 3.1Å; C240-F245 HydrophobicContact CB-CD1 4.49Å; C240-F245 HydrophobicContact CB-CE1 4.06Å; C240-F245 WeakPolarHBondContact O-CZ 3.31Å; C240-K266 HydrophobicContact CB-CB 4.18Å; C240-K266 HydrophobicContact CB-CD 3.47Å; C240-K266 VanDerWaalsContact CB-CD 3.47Å; C240-K266 HydrophobicContact CB-CG 4.48Å
241D84.9Confident83.6Confident105 Ų10540.9 Ų40.956%0.56122%0.22SC*.Hα-helixtrans-66.9-26.7-178.6-58.3-18.6000112S237 F238 K266S237-D241 PolarHBondContact O-N 3.43Å; F238-D241 PolarHBondContact O-N 2.99Å; D241-K266 IonicContact OD1-NZ 3.28Å; D241-K266 PolarHBondContact OD1-NZ 3Å
242H83.5Confident83.7Confident117 Ų11740.5 Ų40.554%0.54222%0.217SC..THydrogen-bonded Turntrans-90.71.8175.6-69.469.2000113.9F238 A239 C240F238-H242 AromaticContact CD1-ND1 3.74Å; F238-H242 AromaticContact CD2-CE1 3.72Å; F238-H242 AromaticContact CD2-ND1 3.98Å; F238-H242 AromaticContact CE1-CE1 3.49Å; F238-H242 VanDerWaalsContact CE1-CE1 3.49Å; F238-H242 WeakPolarHBondContact CE1-CE1 3.3Å; F238-H242 AromaticContact CE1-CG 3.95Å; F238-H242 AromaticContact CE1-ND1 3.44Å; F238-H242 WeakPolarHBondContact CE1-ND1 3.2Å; F238-H242 AromaticContact CE1-NE2 3.94Å; F238-H242 AromaticContact CE2-CE1 3.09Å; F238-H242 WeakPolarHBondContact CE2-CE1 3.29Å; F238-H242 AromaticContact CE2-ND1 3.72Å; F238-H242 AromaticContact CE2-NE2 3.83Å; F238-H242 AromaticContact CG-ND1 3.98Å; F238-H242 AromaticContact CZ-CE1 2.92Å; F238-H242 WeakPolarHBondContact CZ-CE1 3.44Å; F238-H242 AromaticContact CZ-ND1 3.4Å; F238-H242 WeakPolarHBondContact CZ-ND1 3.31Å; F238-H242 AromaticContact CZ-NE2 3.31Å; F238-H242 VanDerWaalsContact CZ-NE2 3.31Å; F238-H242 WeakPolarHBondContact CZ-NE2 3.43Å; F238-H242 PolarHBondContact O-N 3.42Å; F238-H242 VanDerWaalsContact O-N 3.13Å; F238-H242 PolarHBondContact O-ND1 2.98Å; A239-H242 PolarHBondContact O-N 2.92Å; C240-H242 PolarHBondContact O-N 3.29Å
243G81.5Confident83.6Confident34 Ų3445.5 Ų45.535%0.35124%0.238SC..THydrogen-bonded Turntrans77.313.6179.100000115.4A239 C240 F245A239-G243 PolarHBondContact O-N 3.45Å; C240-G243 PolarHBondContact O-N 3.45Å; C240-G243 VanDerWaalsContact O-N 3.1Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 WeakPolarHBondContact O-CD2 3.44Å; G243-F245 PolarHBondContact O-N 2.9Å; G243-F245 VanDerWaalsContact O-N 3.14Å
244A84.5Confident83.4Confident29 Ų2945.7 Ų45.724%0.2424%0.239CC..  trans-87.657.817800000111.5F211 A239 F247 A248F211-A244 HydrophobicContact CE2-CB 4.1Å; F211-A244 HydrophobicContact CZ-CB 3.93Å; A239-A244 HydrophobicContact CB-CB 4.47Å; A239-A244 PolarHBondContact O-N 3.44Å; A244-F247 PolarHBondContact O-N 3.38Å; A244-A248 PolarHBondContact O-N 3.41Å
245F83.8Confident82.6Confident16 Ų1641.4 Ų41.47%0.0723%0.228CC..Hα-helixtrans-66.4-38.8-173.4-58.7-73.8000113.3C240 G243 F247 A248 E249 K266 H267 R270C240-F245 HydrophobicContact CB-CD1 4.49Å; C240-F245 HydrophobicContact CB-CE1 4.06Å; C240-F245 WeakPolarHBondContact O-CZ 3.31Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 WeakPolarHBondContact O-CD2 3.44Å; G243-F245 PolarHBondContact O-N 2.9Å; G243-F245 VanDerWaalsContact O-N 3.14Å; F245-F247 PolarHBondContact O-N 3.47Å; F245-A248 PolarHBondContact O-N 3.16Å; F245-A248 VanDerWaalsContact O-N 3.12Å; F245-E249 WeakPolarHBondContact O-CB 3.43Å; F245-E249 WeakPolarHBondContact O-CG 3.36Å; F245-E249 PolarHBondContact O-N 2.96Å; F245-K266 HydrophobicContact CE1-CB 4.16Å; F245-H267 HydrophobicContact CB-CB 4.31Å; F245-H267 HydrophobicContact CD1-CB 3.59Å; F245-H267 AromaticContact CD1-CG 3.97Å; F245-H267 HydrophobicContact CD2-CB 4.44Å; F245-H267 AromaticContact CD2-CD2 3.4Å; F245-H267 WeakPolarHBondContact CD2-CD2 3.28Å; F245-H267 AromaticContact CD2-NE2 3.98Å; F245-H267 HydrophobicContact CE1-CB 3.99Å; F245-H267 AromaticContact CE2-CD2 3.91Å; F245-H267 HydrophobicContact CG-CB 3.86Å; F245-H267 AromaticContact CG-CD2 3.54Å; F245-H267 AromaticContact CG-CG 3.68Å; F245-R270 HydrophobicContact CE2-CB 3.79Å; F245-R270 HydrophobicContact CE2-CG 3.72Å; F245-R270 HydrophobicContact CZ-CB 3.61Å; F245-R270 HydrophobicContact CZ-CG 3.89Å
246D84.1Confident81.8Confident133 Ų13344.2 Ų44.271%0.71124%0.24SC*.Hα-helixtrans-55.1-42.1178-64.7-31.2000112E250D246-E250 WeakPolarHBondContact O-CB 3.44Å; D246-E250 PolarHBondContact O-N 2.97Å
247F83Confident81.3Confident21 Ų2149.7 Ų49.79%0.09227%0.269CS..Hα-helixtrans-71.6-42178.7176.4-104.4000112.1F211 A214 A239 A244 F245 E249 E250 I251F211-F247 HydrophobicContact CD2-CD1 4.1Å; F211-F247 AromaticContact CD2-CE1 3.74Å; F211-F247 HydrophobicContact CD2-CE1 3.74Å; F211-F247 AromaticContact CE2-CD1 3.71Å; F211-F247 HydrophobicContact CE2-CD1 3.71Å; F211-F247 AromaticContact CE2-CE1 3.81Å; F211-F247 HydrophobicContact CE2-CE1 3.81Å; A214-F247 HydrophobicContact CB-CE2 4.5Å; A214-F247 HydrophobicContact CB-CZ 3.67Å; A239-F247 HydrophobicContact CB-CD1 4.22Å; A244-F247 PolarHBondContact O-N 3.38Å; F245-F247 PolarHBondContact O-N 3.47Å; F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.07Å; F247-E250 PolarHBondContact O-N 3.22Å; F247-I251 HydrophobicContact CD1-CD1 3.83Å; F247-I251 HydrophobicContact CD2-CD1 4.28Å; F247-I251 HydrophobicContact CE1-CD1 3.26Å; F247-I251 HydrophobicContact CE1-CG1 4.5Å; F247-I251 HydrophobicContact CE2-CD1 3.76Å; F247-I251 HydrophobicContact CE2-CG1 4.38Å; F247-I251 HydrophobicContact CG-CD1 4.33Å; F247-I251 HydrophobicContact CZ-CD1 3.24Å; F247-I251 HydrophobicContact CZ-CG1 4.3Å; F247-I251 WeakPolarHBondContact O-CG1 3.32Å; F247-I251 PolarHBondContact O-N 3.32Å; F247-I251 VanDerWaalsContact O-N 3.07Å
248A83.6Confident80.6Confident1 Ų152.5 Ų52.51%0.00829%0.289CS..Hα-helixtrans-62.2-40.5175.900000111.4V236 A239 A244 F245 C252 V263V236-A248 HydrophobicContact CG1-CB 4.45Å; A239-A248 HydrophobicContact CB-CB 4.18Å; A244-A248 PolarHBondContact O-N 3.41Å; F245-A248 PolarHBondContact O-N 3.16Å; F245-A248 VanDerWaalsContact O-N 3.12Å; A248-C252 WeakPolarHBondContact O-CB 3.5Å; A248-C252 PolarHBondContact O-N 3.33Å; A248-C252 PolarHBondContact O-SG 2.83Å; A248-V263 HydrophobicContact CB-CG1 3.71Å; A248-V263 HydrophobicContact CB-CG2 4.14Å
249E84.1Confident80Confident17 Ų1753.1 Ų53.18%0.07929%0.292CS..Hα-helixtrans-64.7-44.6174.7-76.8-167.6-159.500112.4F245 F247 I251 C252 K253 V263 H264 H267F245-E249 WeakPolarHBondContact O-CB 3.43Å; F245-E249 WeakPolarHBondContact O-CG 3.36Å; F245-E249 PolarHBondContact O-N 2.96Å; F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.07Å; E249-I251 PolarHBondContact O-N 3.46Å; E249-C252 PolarHBondContact O-N 2.99Å; E249-K253 WeakPolarHBondContact O-CB 3.28Å; E249-K253 VanDerWaalsContact O-CG 3.23Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.35Å; E249-K253 IonicContact OE2-NZ 2.95Å; E249-K253 PolarHBondContact OE2-NZ 3.37Å; E249-V263 HydrophobicContact CG-CG1 4.01Å; E249-H264 VanDerWaalsContact CD-CE1 3.45Å; E249-H264 IonicContact OE1-CE1 3.26Å; E249-H264 PolarHBondContact OE1-CE1 3.22Å; E249-H264 VanDerWaalsContact OE1-CE1 3.28Å; E249-H264 IonicContact OE1-ND1 3.54Å; E249-H264 PolarHBondContact OE1-ND1 3.47Å; E249-H264 IonicContact OE2-CE1 3.27Å; E249-H267 IonicContact OE1-ND1 2.67Å
250E82.1Confident79.9Confident73 Ų7354.9 Ų54.934%0.34130%0.301SS..Hα-helixtrans-58.7-47.2178.4-170.7-177.3169.500111G219 D246 F247 K253 L254G219-E250 WeakPolarHBondContact CA-OE1 3.47Å; G219-E250 PolarHBondContact N-OE1 2.95Å; D246-E250 WeakPolarHBondContact O-CB 3.44Å; D246-E250 PolarHBondContact O-N 2.97Å; F247-E250 PolarHBondContact O-N 3.22Å; E250-K253 PolarHBondContact O-N 3.42Å; E250-L254 HydrophobicContact CG-CD1 4.08Å; E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 VanDerWaalsContact O-CG 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.46Å; E250-L254 PolarHBondContact O-N 3.29Å; E250-L254 VanDerWaalsContact O-N 3.12Å
251I82.6Confident79.7Confident5 Ų557 Ų573%0.02632%0.316CS..Hα-helixtrans-63.7-44.4177.4-70.6170.9000111.6V223 L226 V232 V236 F247 E249 L254 G255V223-I251 HydrophobicContact CG2-CG1 4.47Å; V223-I251 HydrophobicContact CG2-CG2 4.47Å; L226-I251 HydrophobicContact CD1-CD1 3.62Å; L226-I251 HydrophobicContact CD1-CG1 4.5Å; L226-I251 HydrophobicContact CD1-CG2 4.43Å; V232-I251 HydrophobicContact CG1-CG2 4.19Å; V236-I251 HydrophobicContact CG2-CG2 4.14Å; F247-I251 HydrophobicContact CD1-CD1 3.83Å; F247-I251 HydrophobicContact CD2-CD1 4.28Å; F247-I251 HydrophobicContact CE1-CD1 3.26Å; F247-I251 HydrophobicContact CE1-CG1 4.5Å; F247-I251 HydrophobicContact CE2-CD1 3.76Å; F247-I251 HydrophobicContact CE2-CG1 4.38Å; F247-I251 HydrophobicContact CG-CD1 4.33Å; F247-I251 HydrophobicContact CZ-CD1 3.24Å; F247-I251 HydrophobicContact CZ-CG1 4.3Å; F247-I251 WeakPolarHBondContact O-CG1 3.32Å; F247-I251 PolarHBondContact O-N 3.32Å; F247-I251 VanDerWaalsContact O-N 3.07Å; E249-I251 PolarHBondContact O-N 3.46Å; I251-L254 PolarHBondContact O-N 2.86Å; I251-G255 PolarHBondContact O-N 3.22Å
252C82.3Confident79.6Confident1 Ų156.1 Ų56.11%0.00731%0.309CS..Hα-helixtrans-65.5-40.7-179-69.60000111.7A248 E249 L254 F256 N257 L260A248-C252 WeakPolarHBondContact O-CB 3.5Å; A248-C252 PolarHBondContact O-N 3.33Å; A248-C252 PolarHBondContact O-SG 2.83Å; E249-C252 PolarHBondContact O-N 2.99Å; C252-L254 VanDerWaalsContact C-N 3.33Å; C252-L254 PolarHBondContact O-N 3.17Å; C252-F256 CarbonylContact O-C 3.59Å; C252-F256 PolarHBondContact O-N 2.92Å; C252-N257 PolarHBondContact O-N 2.93Å; C252-N257 PolarHBondContact O-OD1 2.78Å; C252-L260 HydrophobicContact CB-CB 4.17Å; C252-L260 HydrophobicContact CB-CD1 3.76Å
253K81.5Confident79.7Confident116 Ų11650.6 Ų50.650%0.50428%0.283SS..Hα-helixtrans-64.8-35.3177.1-73.7168.8-170.3159.70112.7E249 E250 L260E249-K253 WeakPolarHBondContact O-CB 3.28Å; E249-K253 VanDerWaalsContact O-CG 3.23Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.35Å; E249-K253 IonicContact OE2-NZ 2.95Å; E249-K253 PolarHBondContact OE2-NZ 3.37Å; E250-K253 PolarHBondContact O-N 3.42Å; K253-L260 HydrophobicContact CG-CD1 4.25Å; K253-L260 HydrophobicContact CG-CD2 4.47Å
254L77.4Confident80Confident85 Ų8549.5 Ų49.545%0.44527%0.269SS..Hα-helixtrans-84.8-30.4-177.1-71.2173.4000113.6E220 V223 E250 I251 C252E220-L254 HydrophobicContact CG-CD1 4.43Å; E220-L254 HydrophobicContact CG-CD2 4.36Å; V223-L254 HydrophobicContact CG2-CB 3.85Å; V223-L254 HydrophobicContact CG2-CD1 4.27Å; E250-L254 HydrophobicContact CG-CD1 4.08Å; E250-L254 WeakPolarHBondContact O-CB 3.36Å; E250-L254 VanDerWaalsContact O-CG 3.32Å; E250-L254 WeakPolarHBondContact O-CG 3.46Å; E250-L254 PolarHBondContact O-N 3.29Å; E250-L254 VanDerWaalsContact O-N 3.12Å; I251-L254 PolarHBondContact O-N 2.86Å; C252-L254 VanDerWaalsContact C-N 3.33Å; C252-L254 PolarHBondContact O-N 3.17Å
255G67.8Low80.2Confident28 Ų2850.8 Ų50.829%0.28927%0.268SS..Hα-helixtrans-132.9-25-170.200000117.3I251I251-G255 PolarHBondContact O-N 3.22Å
256F67.7Low80.3Confident59 Ų5952.5 Ų52.526%0.25928%0.275SS..  trans-150.376.4-165.3-63.5-86.8000112.4V223 Q227 V232 C252 S258 K259V223-F256 HydrophobicContact CG1-CE2 4.49Å; Q227-F256 HydrophobicContact CG-CE2 3.85Å; Q227-F256 HydrophobicContact CG-CZ 3.75Å; V232-F256 HydrophobicContact CB-CD2 4.4Å; V232-F256 HydrophobicContact CB-CE2 4.01Å; V232-F256 HydrophobicContact CB-CZ 4.24Å; V232-F256 HydrophobicContact CG1-CD2 3.55Å; V232-F256 HydrophobicContact CG1-CE2 3.61Å; V232-F256 HydrophobicContact CG1-CG 4.16Å; V232-F256 HydrophobicContact CG1-CZ 4.25Å; V232-F256 HydrophobicContact CG2-CD2 4.37Å; V232-F256 HydrophobicContact CG2-CE2 3.55Å; V232-F256 HydrophobicContact CG2-CZ 3.73Å; C252-F256 CarbonylContact O-C 3.59Å; C252-F256 PolarHBondContact O-N 2.92Å; F256-S258 PolarHBondContact O-N 3.35Å; F256-S258 VanDerWaalsContact O-N 3.12Å; F256-K259 PolarHBondContact O-N 3.28Å
257N71.9Confident80.5Confident122 Ų12247.6 Ų47.665%0.65225%0.248SC*.G310 helixtrans-60.9-22.1179.4-75.4-13000113.9C252 K259 L260C252-N257 PolarHBondContact O-N 2.93Å; C252-N257 PolarHBondContact O-OD1 2.78Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.45Å; N257-L260 PolarHBondContact O-N 3.2Å
258S70.3Confident80.6Confident100 Ų10046.6 Ų46.670%0.69924%0.244SC*.G310 helixtrans-66.8-25.2-175.756.50000114.1F256F256-S258 PolarHBondContact O-N 3.35Å; F256-S258 VanDerWaalsContact O-N 3.12Å
259K74.4Confident80.8Confident46 Ų4649.5 Ų49.520%0.226%0.259CS..G310 helixtrans-103.5-2.1-179.3-72.8-162.8169-174.90114.6D233 F256 N257 S261 E262 V263D233-K259 VanDerWaalsContact OD1-CD 3.31Å; D233-K259 WeakPolarHBondContact OD1-CD 3.39Å; D233-K259 WeakPolarHBondContact OD1-CE 3.3Å; D233-K259 IonicContact OD1-NZ 2.83Å; D233-K259 PolarHBondContact OD1-NZ 3.48Å; D233-K259 IonicContact OD2-NZ 3.89Å; F256-K259 PolarHBondContact O-N 3.28Å; N257-K259 VanDerWaalsContact C-N 3.28Å; N257-K259 PolarHBondContact O-N 3.45Å; K259-S261 PolarHBondContact O-N 3.48Å; K259-E262 WeakPolarHBondContact O-CB 3.48Å; K259-E262 PolarHBondContact O-N 3.43Å; K259-V263 PolarHBondContact O-N 2.99Å; K259-V263 VanDerWaalsContact O-N 3.1Å
260L81.4Confident81Confident36 Ų3653.8 Ų53.819%0.18827%0.274CS..Hα-helixtrans-58.2-36.3179.9-172.764.7000111.6C252 K253 N257 V263 H264C252-L260 HydrophobicContact CB-CB 4.17Å; C252-L260 HydrophobicContact CB-CD1 3.76Å; K253-L260 HydrophobicContact CG-CD1 4.25Å; K253-L260 HydrophobicContact CG-CD2 4.47Å; N257-L260 PolarHBondContact O-N 3.2Å; L260-V263 PolarHBondContact O-N 3.16Å; L260-H264 PolarHBondContact O-CD2 2.99Å; L260-H264 PolarHBondContact O-N 2.97Å
261S82.3Confident81.3Confident53 Ų5350.9 Ų50.937%0.37126%0.261SS..Hα-helixtrans-64.9-36.5175.256.40000113.3K259 Y265 A287K259-S261 PolarHBondContact O-N 3.48Å; S261-Y265 VanDerWaalsContact O-CB 3.24Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.38Å; S261-A287 WeakPolarHBondContact O-CB 3.36Å
262E82.7Confident81.5Confident87 Ų8752.4 Ų52.441%0.40727%0.268SS..Hα-helixtrans-69.8-38176.7-167.5-176.8170.600111.7K259 Y265 K266K259-E262 WeakPolarHBondContact O-CB 3.48Å; K259-E262 PolarHBondContact O-N 3.43Å; E262-Y265 WeakPolarHBondContact O-CB 3.45Å; E262-Y265 PolarHBondContact O-N 2.95Å; E262-K266 PolarHBondContact O-N 3.07Å
263V84.9Confident81.7Confident1 Ų159 Ų591%0.00630%0.298CS..Hα-helixtrans-64.7-50.3175.5177.30000110.8V236 A248 E249 K259 L260 Y265 K266 H267V236-V263 HydrophobicContact CG1-CG2 3.48Å; V236-V263 VanDerWaalsContact CG1-CG2 3.48Å; A248-V263 HydrophobicContact CB-CG1 3.71Å; A248-V263 HydrophobicContact CB-CG2 4.14Å; E249-V263 HydrophobicContact CG-CG1 4.01Å; K259-V263 PolarHBondContact O-N 2.99Å; K259-V263 VanDerWaalsContact O-N 3.1Å; L260-V263 PolarHBondContact O-N 3.16Å; V263-Y265 VanDerWaalsContact C-N 3.26Å; V263-Y265 PolarHBondContact O-N 3.02Å; V263-K266 PolarHBondContact O-N 2.95Å; V263-H267 WeakPolarHBondContact O-CB 3.34Å; V263-H267 PolarHBondContact O-N 3.35Å
264H87.4Confident81.9Confident10 Ų1058.8 Ų58.85%0.04630%0.299CS..Hα-helixtrans-60.3-37.5176.4-73.6-51.1000111.9E249 L260 H267 G268 E283 K286 A287E249-H264 VanDerWaalsContact CD-CE1 3.45Å; E249-H264 IonicContact OE1-CE1 3.26Å; E249-H264 PolarHBondContact OE1-CE1 3.22Å; E249-H264 VanDerWaalsContact OE1-CE1 3.28Å; E249-H264 IonicContact OE1-ND1 3.54Å; E249-H264 PolarHBondContact OE1-ND1 3.47Å; E249-H264 IonicContact OE2-CE1 3.27Å; L260-H264 PolarHBondContact O-CD2 2.99Å; L260-H264 PolarHBondContact O-N 2.97Å; H264-H267 PolarHBondContact O-N 3.35Å; H264-G268 PolarHBondContact O-N 3.47Å; H264-E283 IonicContact CE1-OE2 2.63Å; H264-E283 IonicContact CG-OE2 3.03Å; H264-E283 IonicContact ND1-OE2 3.98Å; H264-E283 PolarHBondContact ND1-OE2 2.85Å; H264-K286 HydrophobicContact CB-CB 4.23Å; H264-A287 HydrophobicContact CB-CB 3.82Å
265Y87.9Confident82.2Confident57 Ų5759.8 Ų59.822%0.22431%0.305CS..Hα-helixtrans-61.6-50.6175.3179.5-110.2000112.4S261 E262 V263 H267 G268 L269 F284 K289 E292S261-Y265 VanDerWaalsContact O-CB 3.24Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.38Å; E262-Y265 WeakPolarHBondContact O-CB 3.45Å; E262-Y265 PolarHBondContact O-N 2.95Å; V263-Y265 VanDerWaalsContact C-N 3.26Å; V263-Y265 PolarHBondContact O-N 3.02Å; Y265-H267 VanDerWaalsContact C-N 3.31Å; Y265-H267 PolarHBondContact O-N 2.76Å; Y265-G268 PolarHBondContact O-N 3.26Å; Y265-L269 HydrophobicContact CD1-CD1 4.2Å; Y265-L269 HydrophobicContact CE1-CD1 3.67Å; Y265-L269 PolarHBondContact O-N 3.27Å; Y265-L269 VanDerWaalsContact O-N 3.11Å; Y265-F284 HydrophobicContact CD2-CD1 4.21Å; Y265-F284 HydrophobicContact CD2-CE1 4.14Å; Y265-F284 HydrophobicContact CE2-CE1 4.23Å; Y265-K289 HydrophobicContact CD2-CD 3.65Å; Y265-K289 HydrophobicContact CE2-CD 3.84Å; Y265-K289 HydrophobicContact CG-CD 4.3Å; Y265-E292 HydrophobicContact CE2-CB 4.49Å; Y265-E292 HydrophobicContact CE2-CG 3.63Å
266K86.6Confident83.2Confident52 Ų5261.4 Ų61.423%0.22631%0.307CS..Hα-helixtrans-65.2-35.1176.8-73.2-171.5172.9-164.40112.3C240 D241 F245 E262 V263 L269 R270C240-K266 HydrophobicContact CB-CB 4.18Å; C240-K266 HydrophobicContact CB-CD 3.47Å; C240-K266 VanDerWaalsContact CB-CD 3.47Å; C240-K266 HydrophobicContact CB-CG 4.48Å; D241-K266 IonicContact OD1-NZ 3.28Å; D241-K266 PolarHBondContact OD1-NZ 3Å; F245-K266 HydrophobicContact CE1-CB 4.16Å; E262-K266 PolarHBondContact O-N 3.07Å; V263-K266 PolarHBondContact O-N 2.95Å; K266-L269 PolarHBondContact O-N 2.92Å; K266-R270 PolarHBondContact O-N 2.65Å; K266-R270 VanDerWaalsContact O-N 3.09Å
267H87.7Confident84Confident30 Ų3060.1 Ų60.114%0.13930%0.303CS..Hα-helixtrans-64-44.9175.3-170.9-165000111.2F245 E249 V263 H264 Y265 L269 R270 L271 E283F245-H267 HydrophobicContact CB-CB 4.31Å; F245-H267 HydrophobicContact CD1-CB 3.59Å; F245-H267 AromaticContact CD1-CG 3.97Å; F245-H267 HydrophobicContact CD2-CB 4.44Å; F245-H267 AromaticContact CD2-CD2 3.4Å; F245-H267 WeakPolarHBondContact CD2-CD2 3.28Å; F245-H267 AromaticContact CD2-NE2 3.98Å; F245-H267 HydrophobicContact CE1-CB 3.99Å; F245-H267 AromaticContact CE2-CD2 3.91Å; F245-H267 HydrophobicContact CG-CB 3.86Å; F245-H267 AromaticContact CG-CD2 3.54Å; F245-H267 AromaticContact CG-CG 3.68Å; E249-H267 IonicContact OE1-ND1 2.67Å; V263-H267 WeakPolarHBondContact O-CB 3.34Å; V263-H267 PolarHBondContact O-N 3.35Å; H264-H267 PolarHBondContact O-N 3.35Å; Y265-H267 VanDerWaalsContact C-N 3.31Å; Y265-H267 PolarHBondContact O-N 2.76Å; H267-L269 PolarHBondContact O-N 2.91Å; H267-R270 PolarHBondContact O-N 3.47Å; H267-L271 WeakPolarHBondContact O-CG 3.35Å; H267-L271 PolarHBondContact O-N 3.03Å; H267-E283 IonicContact CG-OE2 3.04Å; H267-E283 IonicContact ND1-OE2 3.71Å; H267-E283 PolarHBondContact ND1-OE2 3.07Å; H267-E283 VanDerWaalsContact ND1-OE2 3.13Å
268G87Confident84.7Confident0 Ų061.7 Ų61.70%031%0.306CS..Hα-helixtrans-56.9-48.3174.200000112.7H264 Y265 R270 L271 E272H264-G268 PolarHBondContact O-N 3.47Å; Y265-G268 PolarHBondContact O-N 3.26Å; G268-R270 VanDerWaalsContact C-N 3.31Å; G268-R270 PolarHBondContact O-N 3.17Å; G268-L271 PolarHBondContact O-N 2.89Å; G268-E272 PolarHBondContact O-N 2.93Å
269L87.5Confident85.5Confident62 Ų6262.4 Ų62.433%0.32530%0.297SS..Hα-helixtrans-59-40.7176.3-69.9173.4000112.4Y265 K266 H267 E272 E273 F284Y265-L269 HydrophobicContact CD1-CD1 4.2Å; Y265-L269 HydrophobicContact CE1-CD1 3.67Å; Y265-L269 PolarHBondContact O-N 3.27Å; Y265-L269 VanDerWaalsContact O-N 3.11Å; K266-L269 PolarHBondContact O-N 2.92Å; H267-L269 PolarHBondContact O-N 2.91Å; L269-E272 WeakPolarHBondContact O-CB 3.38Å; L269-E272 PolarHBondContact O-N 3.23Å; L269-E273 PolarHBondContact O-N 3.01Å; L269-E273 VanDerWaalsContact O-N 3.08Å; L269-F284 HydrophobicContact CD2-CE1 4.26Å; L269-F284 HydrophobicContact CD2-CZ 4.1Å; L269-F284 HydrophobicContact CG-CE1 4.22Å; L269-F284 HydrophobicContact CG-CZ 4.34Å
270R86.5Confident86.2Confident107 Ų10760.2 Ų60.240%0.40429%0.287SS..Hα-helixtrans-70.2-35.3179.3-169.458.5153.3152.30.7112.7F245 K266 H267 G268 E273 Q274F245-R270 HydrophobicContact CE2-CB 3.79Å; F245-R270 HydrophobicContact CE2-CG 3.72Å; F245-R270 HydrophobicContact CZ-CB 3.61Å; F245-R270 HydrophobicContact CZ-CG 3.89Å; K266-R270 PolarHBondContact O-N 2.65Å; K266-R270 VanDerWaalsContact O-N 3.09Å; H267-R270 PolarHBondContact O-N 3.47Å; G268-R270 VanDerWaalsContact C-N 3.31Å; G268-R270 PolarHBondContact O-N 3.17Å; R270-E273 VanDerWaalsContact CD-OE2 3.28Å; R270-E273 WeakPolarHBondContact CD-OE2 3.49Å; R270-E273 IonicContact CZ-OE2 3.14Å; R270-E273 IonicContact NE-OE2 2.98Å; R270-E273 IonicContact NH1-OE2 2.8Å; R270-E273 PolarHBondContact NH1-OE2 3.36Å; R270-E273 PolarHBondContact O-N 3.29Å; R270-Q274 WeakPolarHBondContact O-CG 3.32Å; R270-Q274 PolarHBondContact O-N 3.06Å; R270-Q274 VanDerWaalsContact O-N 3.15Å
271L88.5Confident86.5Confident11 Ų1159.6 Ų59.66%0.05828%0.283CS..Hα-helixtrans-69.4-35.4174.4-72.6167000111.6H267 G268 Q274 D275 D276 K279 A280 E283H267-L271 WeakPolarHBondContact O-CG 3.35Å; H267-L271 PolarHBondContact O-N 3.03Å; G268-L271 PolarHBondContact O-N 2.89Å; L271-Q274 CarbonylContact O-C 3.58Å; L271-Q274 PolarHBondContact O-N 3.07Å; L271-Q274 VanDerWaalsContact O-N 3.12Å; L271-D275 PolarHBondContact O-N 3.24Å; L271-D275 VanDerWaalsContact O-N 3.13Å; L271-D276 HydrophobicContact CD2-CB 4.09Å; L271-D276 PolarHBondContact O-N 3.49Å; L271-K279 HydrophobicContact CD1-CB 3.81Å; L271-K279 HydrophobicContact CD2-CB 4.32Å; L271-K279 HydrophobicContact CD2-CD 4.36Å; L271-A280 HydrophobicContact CB-CB 3.89Å; L271-E283 HydrophobicContact CD1-CG 3.74Å
272E87Confident86.8Confident38 Ų3861.2 Ų61.218%0.17829%0.287CS..Hα-helixtrans-61.8-43.4172176.8179.2-162.900111.8G268 L269 Q274 D275 M296 R300G268-E272 PolarHBondContact O-N 2.93Å; L269-E272 WeakPolarHBondContact O-CB 3.38Å; L269-E272 PolarHBondContact O-N 3.23Å; E272-Q274 PolarHBondContact O-N 3.43Å; E272-D275 PolarHBondContact O-N 2.99Å; E272-M296 HydrophobicContact CB-SD 4.35Å; E272-M296 HydrophobicContact CG-CG 3.93Å; E272-M296 HydrophobicContact CG-SD 4.31Å; E272-M296 WeakPolarHBondContact OE1-CG 3.47Å; E272-R300 PolarHBondContact O-NH2 3.09Å
273E86.2Confident87.1Confident139 Ų13957.6 Ų57.665%0.6527%0.27SS*.Hα-helixtrans-61.2-31.7171.8-71.6179.9172.400112.7L269 R270 D275L269-E273 PolarHBondContact O-N 3.01Å; L269-E273 VanDerWaalsContact O-N 3.08Å; R270-E273 VanDerWaalsContact CD-OE2 3.28Å; R270-E273 WeakPolarHBondContact CD-OE2 3.49Å; R270-E273 IonicContact CZ-OE2 3.14Å; R270-E273 IonicContact NE-OE2 2.98Å; R270-E273 IonicContact NH1-OE2 2.8Å; R270-E273 PolarHBondContact NH1-OE2 3.36Å; R270-E273 PolarHBondContact O-N 3.29Å; E273-D275 VanDerWaalsContact C-N 3.33Å
274Q86.7Confident87.3Confident111 Ų11157.6 Ų57.652%0.51927%0.27SS..THydrogen-bonded Turntrans-85.2-0179.1-71.9177.18.200114.1R270 L271 E272 D276R270-Q274 WeakPolarHBondContact O-CG 3.32Å; R270-Q274 PolarHBondContact O-N 3.06Å; R270-Q274 VanDerWaalsContact O-N 3.15Å; L271-Q274 CarbonylContact O-C 3.58Å; L271-Q274 PolarHBondContact O-N 3.07Å; L271-Q274 VanDerWaalsContact O-N 3.12Å; E272-Q274 PolarHBondContact O-N 3.43Å; Q274-D276 VanDerWaalsContact C-N 3.25Å; Q274-D276 PolarHBondContact O-N 3.08Å
275D84.1Confident87.3Confident106 Ų10659.6 Ų59.657%0.56728%0.281SS*.THydrogen-bonded Turntrans736.7-178.2-144.744.3000115.7L271 E272 E273 L277 R300L271-D275 PolarHBondContact O-N 3.24Å; L271-D275 VanDerWaalsContact O-N 3.13Å; E272-D275 PolarHBondContact O-N 2.99Å; E273-D275 VanDerWaalsContact C-N 3.33Å; D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 2.99Å; D275-R300 IonicContact OD1-CZ 3.04Å; D275-R300 IonicContact OD1-NH1 3.63Å; D275-R300 PolarHBondContact OD1-NH1 3.33Å; D275-R300 IonicContact OD1-NH2 3.55Å; D275-R300 PolarHBondContact OD1-NH2 3.36Å
276D88.2Confident87.2Confident63 Ų6361.8 Ų61.834%0.33729%0.291SS..  trans-85.967.7-179.1-93.9-3.4000111.4L271 Q274 E278 K279 A280L271-D276 HydrophobicContact CD2-CB 4.09Å; L271-D276 PolarHBondContact O-N 3.49Å; Q274-D276 VanDerWaalsContact C-N 3.25Å; Q274-D276 PolarHBondContact O-N 3.08Å; D276-E278 PolarHBondContact O-N 3.38Å; D276-K279 HydrophobicContact CB-CD 4.37Å; D276-K279 PolarHBondContact O-N 3.12Å; D276-K279 IonicContact OD2-NZ 3.76Å; D276-K279 PolarHBondContact OD2-NZ 3.23Å; D276-A280 PolarHBondContact O-N 3.48Å
277L85.2Confident87.1Confident31 Ų3159.4 Ų59.416%0.16228%0.281CS..Hα-helixtrans-58.2-44.3-171.5-66.2-173.1000115.3D275 K279 A280 E281 M296 Y297D275-L277 VanDerWaalsContact C-N 3.33Å; D275-L277 PolarHBondContact O-N 2.99Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 2.98Å; L277-A280 PolarHBondContact O-N 3.08Å; L277-E281 PolarHBondContact O-N 3.3Å; L277-M296 HydrophobicContact CB-CE 4.3Å; L277-M296 HydrophobicContact CD2-CE 3.88Å; L277-M296 HydrophobicContact CD2-CG 3.87Å; L277-M296 HydrophobicContact CD2-SD 3.56Å; L277-M296 VanDerWaalsContact CD2-SD 3.56Å; L277-Y297 HydrophobicContact CB-CE1 4.37Å; L277-Y297 HydrophobicContact CD1-CD1 4.45Å; L277-Y297 HydrophobicContact CD1-CE1 4.03Å
278E86.3Confident86.9Confident155 Ų15564.7 Ų64.772%0.72431%0.311SS*.Hα-helixtrans-64.3-36.3-177.1-63.7-178.3174.800111.6D276 I282D276-E278 PolarHBondContact O-N 3.38Å; E278-I282 WeakPolarHBondContact O-CG1 3.48Å; E278-I282 PolarHBondContact O-N 3.05Å
279K87.9Confident86.8Confident115 Ų11569.3 Ų69.350%0.533%0.331SS..Hα-helixtrans-74.3-40.3176.1-61.7-179.8-167.1153.50110.6L271 D276 L277 E281 I282 E283L271-K279 HydrophobicContact CD1-CB 3.81Å; L271-K279 HydrophobicContact CD2-CB 4.32Å; L271-K279 HydrophobicContact CD2-CD 4.36Å; D276-K279 HydrophobicContact CB-CD 4.37Å; D276-K279 PolarHBondContact O-N 3.12Å; D276-K279 IonicContact OD2-NZ 3.76Å; D276-K279 PolarHBondContact OD2-NZ 3.23Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 2.98Å; K279-E281 VanDerWaalsContact C-N 3.31Å; K279-E281 PolarHBondContact O-N 2.82Å; K279-I282 PolarHBondContact O-N 3.32Å; K279-I282 VanDerWaalsContact O-N 3.16Å; K279-E283 WeakPolarHBondContact O-CG 3.26Å; K279-E283 PolarHBondContact O-N 3.29Å
280A88.4Confident86.6Confident0 Ų067.5 Ų67.50%032%0.323CS..Hα-helixtrans-58-43.9175.300000111.4L271 D276 L277 I282 E283 F284 M296L271-A280 HydrophobicContact CB-CB 3.89Å; D276-A280 PolarHBondContact O-N 3.48Å; L277-A280 PolarHBondContact O-N 3.08Å; A280-I282 VanDerWaalsContact C-N 3.33Å; A280-I282 PolarHBondContact O-N 3.02Å; A280-E283 PolarHBondContact O-N 2.94Å; A280-F284 HydrophobicContact CB-CD2 4.29Å; A280-F284 HydrophobicContact CB-CE2 4.03Å; A280-F284 WeakPolarHBondContact O-CD2 3.1Å; A280-F284 WeakPolarHBondContact O-CG 3.45Å; A280-F284 PolarHBondContact O-N 3.31Å; A280-M296 HydrophobicContact CB-SD 3.75Å
281E87.9Confident86.5Confident23 Ų2366.2 Ų66.211%0.10732%0.32CS..Hα-helixtrans-53.6-49.4173.6179-172.5161.200111.3L277 K279 E283 F284 I285 Y297 R308 L309L277-E281 PolarHBondContact O-N 3.3Å; K279-E281 VanDerWaalsContact C-N 3.31Å; K279-E281 PolarHBondContact O-N 2.82Å; E281-E283 VanDerWaalsContact C-N 3.33Å; E281-E283 PolarHBondContact O-N 3.32Å; E281-F284 PolarHBondContact O-N 3.19Å; E281-I285 HydrophobicContact CG-CD1 3.81Å; E281-I285 WeakPolarHBondContact O-CG1 3.43Å; E281-I285 PolarHBondContact O-N 3.47Å; E281-Y297 PolarHBondContact OE2-OH 3.47Å; E281-R308 IonicContact OE1-CZ 2.75Å; E281-R308 IonicContact OE1-NH1 2.7Å; E281-R308 PolarHBondContact OE1-NH1 3.28Å; E281-R308 IonicContact OE1-NH2 3.56Å; E281-R308 PolarHBondContact OE1-NH2 2.94Å; E281-R308 IonicContact OE2-CZ 3.63Å; E281-R308 IonicContact OE2-NH2 3.83Å; E281-R308 PolarHBondContact OE2-NH2 2.56Å; E281-L309 HydrophobicContact CG-CD1 4.04Å
282I89.1Confident86.4Confident87 Ų8768.7 Ų68.745%0.44633%0.331SS..Hα-helixtrans-60.8-43.5-179.4-66.5165.8000110.9E278 K279 A280 I285 K286E278-I282 WeakPolarHBondContact O-CG1 3.48Å; E278-I282 PolarHBondContact O-N 3.05Å; K279-I282 PolarHBondContact O-N 3.32Å; K279-I282 VanDerWaalsContact O-N 3.16Å; A280-I282 VanDerWaalsContact C-N 3.33Å; A280-I282 PolarHBondContact O-N 3.02Å; I282-I285 PolarHBondContact O-N 2.86Å; I282-K286 HydrophobicContact CG2-CD 4.38Å; I282-K286 WeakPolarHBondContact O-CG 3.39Å; I282-K286 PolarHBondContact O-N 2.95Å
283E87.9Confident86.3Confident12 Ų1266.9 Ų66.96%0.05632%0.323CS..Hα-helixtrans-69.8-41.5-179.3-66-56.9124.100112.4H264 H267 L271 K279 A280 E281 I285 K286 A287H264-E283 IonicContact CE1-OE2 2.63Å; H264-E283 IonicContact CG-OE2 3.03Å; H264-E283 IonicContact ND1-OE2 3.98Å; H264-E283 PolarHBondContact ND1-OE2 2.85Å; H267-E283 IonicContact CG-OE2 3.04Å; H267-E283 IonicContact ND1-OE2 3.71Å; H267-E283 PolarHBondContact ND1-OE2 3.07Å; H267-E283 VanDerWaalsContact ND1-OE2 3.13Å; L271-E283 HydrophobicContact CD1-CG 3.74Å; K279-E283 WeakPolarHBondContact O-CG 3.26Å; K279-E283 PolarHBondContact O-N 3.29Å; A280-E283 PolarHBondContact O-N 2.94Å; E281-E283 VanDerWaalsContact C-N 3.33Å; E281-E283 PolarHBondContact O-N 3.32Å; E283-I285 VanDerWaalsContact C-N 3.31Å; E283-I285 PolarHBondContact O-N 3.49Å; E283-K286 PolarHBondContact O-N 3.34Å; E283-K286 IonicContact OE1-NZ 3.55Å; E283-K286 PolarHBondContact OE1-NZ 3.14Å; E283-A287 WeakPolarHBondContact O-CB 3.42Å; E283-A287 PolarHBondContact O-N 2.93Å
284F89.5Confident86.2Confident0 Ų060.3 Ų60.30%029%0.292CS..Hα-helixtrans-64.1-35.2174.8-72.6-52.5000113Y265 L269 A280 E281 A287 K289 E292 A293 M296Y265-F284 HydrophobicContact CD2-CD1 4.21Å; Y265-F284 HydrophobicContact CD2-CE1 4.14Å; Y265-F284 HydrophobicContact CE2-CE1 4.23Å; L269-F284 HydrophobicContact CD2-CE1 4.26Å; L269-F284 HydrophobicContact CD2-CZ 4.1Å; L269-F284 HydrophobicContact CG-CE1 4.22Å; L269-F284 HydrophobicContact CG-CZ 4.34Å; A280-F284 HydrophobicContact CB-CD2 4.29Å; A280-F284 HydrophobicContact CB-CE2 4.03Å; A280-F284 WeakPolarHBondContact O-CD2 3.1Å; A280-F284 WeakPolarHBondContact O-CG 3.45Å; A280-F284 PolarHBondContact O-N 3.31Å; E281-F284 PolarHBondContact O-N 3.19Å; F284-A287 PolarHBondContact O-N 2.85Å; F284-K289 CarbonylContact O-C 3.38Å; F284-K289 PolarHBondContact O-N 2.92Å; F284-E292 HydrophobicContact CD1-CB 4.02Å; F284-E292 HydrophobicContact CE1-CB 4.01Å; F284-E292 HydrophobicContact CG-CB 4.45Å; F284-E292 HydrophobicContact CZ-CB 4.4Å; F284-A293 HydrophobicContact CB-CB 3.74Å; F284-A293 HydrophobicContact CD2-CB 3.77Å; F284-A293 HydrophobicContact CG-CB 4.1Å; F284-M296 HydrophobicContact CE2-SD 4.07Å
285I87.3Confident86.2Confident53 Ų5358.1 Ų58.127%0.27228%0.284SS..Hα-helixtrans-66.5-43.1173.4-67.9167.6000110.4E281 I282 E283 A287 D288 L309E281-I285 HydrophobicContact CG-CD1 3.81Å; E281-I285 WeakPolarHBondContact O-CG1 3.43Å; E281-I285 PolarHBondContact O-N 3.47Å; I282-I285 PolarHBondContact O-N 2.86Å; E283-I285 VanDerWaalsContact C-N 3.31Å; E283-I285 PolarHBondContact O-N 3.49Å; I285-A287 PolarHBondContact O-N 3.25Å; I285-D288 PolarHBondContact O-N 2.9Å; I285-L309 HydrophobicContact CD1-CD1 4.01Å
286K85.8Confident86.2Confident102 Ų10253.2 Ų53.244%0.44326%0.257SS..Hα-helixtrans-64.1-26.7174.6-71173-173.7167.70112.9H264 I282 E283 D288H264-K286 HydrophobicContact CB-CB 4.23Å; I282-K286 HydrophobicContact CG2-CD 4.38Å; I282-K286 WeakPolarHBondContact O-CG 3.39Å; I282-K286 PolarHBondContact O-N 2.95Å; E283-K286 PolarHBondContact O-N 3.34Å; E283-K286 IonicContact OE1-NZ 3.55Å; E283-K286 PolarHBondContact OE1-NZ 3.14Å; K286-D288 PolarHBondContact O-N 3.43Å
287A84.9Confident86.2Confident3 Ų350.4 Ų50.43%0.02524%0.242CC..THydrogen-bonded Turntrans-79.22.3177.600000114.4S261 H264 E283 F284 I285 K289S261-A287 WeakPolarHBondContact O-CB 3.36Å; H264-A287 HydrophobicContact CB-CB 3.82Å; E283-A287 WeakPolarHBondContact O-CB 3.42Å; E283-A287 PolarHBondContact O-N 2.93Å; F284-A287 PolarHBondContact O-N 2.85Å; I285-A287 PolarHBondContact O-N 3.25Å; A287-K289 PolarHBondContact O-N 2.87Å
288D83.9Confident86.1Confident141 Ų14150.7 Ų50.775%0.75425%0.245SC*.THydrogen-bonded Turntrans55.923.6-171.4-70.7-32000113.8I285 K286 P290I285-D288 PolarHBondContact O-N 2.9Å; K286-D288 PolarHBondContact O-N 3.43Å; D288-P290 WeakPolarHBondContact O-CD 3.39Å
289K84Confident86Confident96 Ų9650.3 Ų50.342%0.41724%0.243SC..  trans-122.964178.6-68.4-174.9-179.3-178.10112.4Y265 F284 A287 K291 E292Y265-K289 HydrophobicContact CD2-CD 3.65Å; Y265-K289 HydrophobicContact CE2-CD 3.84Å; Y265-K289 HydrophobicContact CG-CD 4.3Å; F284-K289 CarbonylContact O-C 3.38Å; F284-K289 PolarHBondContact O-N 2.92Å; A287-K289 PolarHBondContact O-N 2.87Å; K289-K291 PolarHBondContact O-N 3.42Å; K289-E292 PolarHBondContact O-N 3.12Å
290P83.9Confident85.8Confident24 Ų2449.3 Ų49.316%0.15624%0.236CC..Hα-helixtrans-62.3-22.3178.522.4-31.9000114.2D288 E292 A293 V294 H313 C314D288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-E292 VanDerWaalsContact C-N 3.28Å; P290-E292 PolarHBondContact O-N 3.48Å; P290-A293 PolarHBondContact O-N 3.39Å; P290-V294 WeakPolarHBondContact O-CG2 3.35Å; P290-V294 PolarHBondContact O-N 2.74Å; P290-V294 VanDerWaalsContact O-N 3.13Å; P290-H313 HydrophobicContact CB-CB 3.58Å; P290-H313 HydrophobicContact CG-CB 3.97Å; P290-C314 WeakPolarHBondContact CG-SG 3.41Å
291K84.6Confident85.3Confident81 Ų8154.7 Ų54.735%0.35226%0.261SS..Hα-helixtrans-57.5-38.8176.6-66.2-166.9177.5-141.20112.5K289 V294 L295 E316 E317K289-K291 PolarHBondContact O-N 3.42Å; K291-V294 WeakPolarHBondContact O-CB 3.34Å; K291-V294 PolarHBondContact O-N 3.18Å; K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.81Å; K291-E316 IonicContact NZ-OE2 3.15Å; K291-E317 WeakPolarHBondContact CD-OE1 3.28Å; K291-E317 WeakPolarHBondContact CE-OE1 3.41Å; K291-E317 HydrophobicContact CG-CG 4.38Å; K291-E317 IonicContact NZ-OE1 2.7Å; K291-E317 PolarHBondContact NZ-OE1 3.21Å
292E85Confident85.2Confident62 Ų6255.8 Ų55.829%0.2927%0.268SS..Hα-helixtrans-70.8-37.6-179.9-61.8-23.2145.200112.8Y265 F284 K289 P290 V294 L295 M296Y265-E292 HydrophobicContact CE2-CB 4.49Å; Y265-E292 HydrophobicContact CE2-CG 3.63Å; F284-E292 HydrophobicContact CD1-CB 4.02Å; F284-E292 HydrophobicContact CE1-CB 4.01Å; F284-E292 HydrophobicContact CG-CB 4.45Å; F284-E292 HydrophobicContact CZ-CB 4.4Å; K289-E292 PolarHBondContact O-N 3.12Å; P290-E292 VanDerWaalsContact C-N 3.28Å; P290-E292 PolarHBondContact O-N 3.48Å; E292-V294 VanDerWaalsContact C-N 3.27Å; E292-V294 PolarHBondContact O-N 2.74Å; E292-L295 PolarHBondContact O-N 3.27Å; E292-L295 VanDerWaalsContact OE2-CD1 3.25Å; E292-L295 WeakPolarHBondContact OE2-CD1 3.36Å; E292-M296 WeakPolarHBondContact O-CB 3.42Å; E292-M296 PolarHBondContact O-N 3.43Å
293A85.2Confident84.9Confident0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-64.7-33.5173.400000112F284 P290 Y297 L309F284-A293 HydrophobicContact CB-CB 3.74Å; F284-A293 HydrophobicContact CD2-CB 3.77Å; F284-A293 HydrophobicContact CG-CB 4.1Å; P290-A293 PolarHBondContact O-N 3.39Å; A293-Y297 WeakPolarHBondContact O-CD2 3.45Å; A293-Y297 PolarHBondContact O-N 2.9Å; A293-L309 HydrophobicContact CB-CD2 3.33Å
294V84.9Confident84.7Confident2 Ų258.7 Ų58.71%0.01228%0.282CS..Hα-helixtrans-65-48.5171.5173.40000110.1P290 K291 E292 M296 Y297 V298 L309 A310 E317 I321P290-V294 WeakPolarHBondContact O-CG2 3.35Å; P290-V294 PolarHBondContact O-N 2.74Å; P290-V294 VanDerWaalsContact O-N 3.13Å; K291-V294 WeakPolarHBondContact O-CB 3.34Å; K291-V294 PolarHBondContact O-N 3.18Å; E292-V294 VanDerWaalsContact C-N 3.27Å; E292-V294 PolarHBondContact O-N 2.74Å; V294-M296 VanDerWaalsContact C-N 3.33Å; V294-M296 PolarHBondContact O-N 3.49Å; V294-Y297 PolarHBondContact O-N 3.4Å; V294-V298 HydrophobicContact CG1-CG2 4.27Å; V294-V298 VanDerWaalsContact O-CG2 3.31Å; V294-V298 WeakPolarHBondContact O-CG2 3.14Å; V294-V298 PolarHBondContact O-N 3.49Å; V294-L309 HydrophobicContact CG2-CB 4.16Å; V294-L309 HydrophobicContact CG2-CD2 3.78Å; V294-L309 HydrophobicContact CG2-CG 4.03Å; V294-A310 HydrophobicContact CG1-CB 4.36Å; V294-A310 HydrophobicContact CG2-CB 4.12Å; V294-E317 HydrophobicContact CG1-CB 4.34Å; V294-I321 HydrophobicContact CG1-CD1 3.53Å; V294-I321 HydrophobicContact CG1-CG1 4.12Å
295L85.1Confident84.5Confident65 Ų6561.1 Ų61.134%0.3430%0.295SS..Hα-helixtrans-61.9-38.5179.5-74.9168.6000112.6K291 E292 Y297 V298 Q299K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.81Å; E292-L295 PolarHBondContact O-N 3.27Å; E292-L295 VanDerWaalsContact OE2-CD1 3.25Å; E292-L295 WeakPolarHBondContact OE2-CD1 3.36Å; L295-Y297 PolarHBondContact O-N 3.02Å; L295-V298 PolarHBondContact O-N 3.03Å; L295-Q299 WeakPolarHBondContact O-CB 3.4Å; L295-Q299 WeakPolarHBondContact O-CG 3.16Å; L295-Q299 PolarHBondContact O-N 3.44Å
296M85.1Confident84.2Confident2 Ų258.6 Ų58.61%0.0128%0.282CS..Hα-helixtrans-54.4-49.8172.9174.6-166.777.600111.4E272 L277 A280 F284 E292 V294 R300E272-M296 HydrophobicContact CB-SD 4.35Å; E272-M296 HydrophobicContact CG-CG 3.93Å; E272-M296 HydrophobicContact CG-SD 4.31Å; E272-M296 WeakPolarHBondContact OE1-CG 3.47Å; L277-M296 HydrophobicContact CB-CE 4.3Å; L277-M296 HydrophobicContact CD2-CE 3.88Å; L277-M296 HydrophobicContact CD2-CG 3.87Å; L277-M296 HydrophobicContact CD2-SD 3.56Å; L277-M296 VanDerWaalsContact CD2-SD 3.56Å; A280-M296 HydrophobicContact CB-SD 3.75Å; F284-M296 HydrophobicContact CE2-SD 4.07Å; E292-M296 WeakPolarHBondContact O-CB 3.42Å; E292-M296 PolarHBondContact O-N 3.43Å; V294-M296 VanDerWaalsContact C-N 3.33Å; V294-M296 PolarHBondContact O-N 3.49Å; M296-R300 WeakPolarHBondContact O-CG 3.42Å; M296-R300 PolarHBondContact O-N 3.46Å
297Y87.3Confident84.1Confident5 Ų557.6 Ų57.62%0.0228%0.276CS..Hα-helixtrans-68.2-37.8177.1-75.4-60.8000112.6L277 E281 A293 V294 L295 R300 Q301 D302 N305L277-Y297 HydrophobicContact CB-CE1 4.37Å; L277-Y297 HydrophobicContact CD1-CD1 4.45Å; L277-Y297 HydrophobicContact CD1-CE1 4.03Å; E281-Y297 PolarHBondContact OE2-OH 3.47Å; A293-Y297 WeakPolarHBondContact O-CD2 3.45Å; A293-Y297 PolarHBondContact O-N 2.9Å; V294-Y297 PolarHBondContact O-N 3.4Å; L295-Y297 PolarHBondContact O-N 3.02Å; Y297-R300 CarbonylContact O-C 2.91Å; Y297-R300 PolarHBondContact O-N 2.88Å; Y297-Q301 PolarHBondContact O-N 2.9Å; Y297-Q301 VanDerWaalsContact O-N 3.15Å; Y297-D302 HydrophobicContact CD1-CB 3.94Å; Y297-D302 PolarHBondContact O-N 2.99Å; Y297-N305 HydrophobicContact CD1-CB 3.56Å; Y297-N305 HydrophobicContact CD2-CB 4.01Å; Y297-N305 HydrophobicContact CE1-CB 3.55Å; Y297-N305 HydrophobicContact CE2-CB 4.01Å; Y297-N305 HydrophobicContact CG-CB 3.8Å
298V85Confident84.2Confident36 Ų3662.9 Ų62.922%0.21830%0.295CS..Hα-helixtrans-62.9-45.1176.51700000111.8V294 L295 R300 Q301 W303 A306 I321V294-V298 HydrophobicContact CG1-CG2 4.27Å; V294-V298 VanDerWaalsContact O-CG2 3.31Å; V294-V298 WeakPolarHBondContact O-CG2 3.14Å; V294-V298 PolarHBondContact O-N 3.49Å; L295-V298 PolarHBondContact O-N 3.03Å; V298-R300 PolarHBondContact O-N 3.18Å; V298-Q301 PolarHBondContact O-N 3.33Å; V298-W303 HydrophobicContact CB-CZ3 4.42Å; V298-W303 HydrophobicContact CG1-CH2 4.05Å; V298-W303 HydrophobicContact CG1-CZ3 3.88Å; V298-W303 HydrophobicContact CG2-CZ3 4.22Å; V298-A306 HydrophobicContact CG2-CB 3.86Å; V298-I321 HydrophobicContact CG2-CG1 3.8Å
299Q83.6Confident84.2Confident148 Ų14856.2 Ų56.269%0.69226%0.26SS*.Hα-helixtrans-63.1-31178.4-73.7-179.416.300112.3L295 Q301L295-Q299 WeakPolarHBondContact O-CB 3.4Å; L295-Q299 WeakPolarHBondContact O-CG 3.16Å; L295-Q299 PolarHBondContact O-N 3.44Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å
300R82.8Confident84.2Confident93 Ų9351.6 Ų51.635%0.35124%0.24SC..THydrogen-bonded Turntrans-87.73.9176.1-69.2179.4171.1-136.20.8114.2E272 D275 M296 Y297 V298 D302E272-R300 PolarHBondContact O-NH2 3.09Å; D275-R300 IonicContact OD1-CZ 3.04Å; D275-R300 IonicContact OD1-NH1 3.63Å; D275-R300 PolarHBondContact OD1-NH1 3.33Å; D275-R300 IonicContact OD1-NH2 3.55Å; D275-R300 PolarHBondContact OD1-NH2 3.36Å; M296-R300 WeakPolarHBondContact O-CG 3.42Å; M296-R300 PolarHBondContact O-N 3.46Å; Y297-R300 CarbonylContact O-C 2.91Å; Y297-R300 PolarHBondContact O-N 2.88Å; V298-R300 PolarHBondContact O-N 3.18Å; R300-D302 PolarHBondContact O-N 3.41Å
301Q79.2Confident84.1Confident113 Ų11356.4 Ų56.453%0.52826%0.26SS..THydrogen-bonded Turntrans60.421.7-178.2-56.1177.2-3900113.9Y297 V298 Q299 W303 E328Y297-Q301 PolarHBondContact O-N 2.9Å; Y297-Q301 VanDerWaalsContact O-N 3.15Å; V298-Q301 PolarHBondContact O-N 3.33Å; Q299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-W303 VanDerWaalsContact C-N 3.3Å; Q301-W303 PolarHBondContact O-N 3.15Å; Q301-W303 VanDerWaalsContact O-N 3.1Å; Q301-W303 PolarHBondContact O-NE1 2.77Å; Q301-E328 WeakPolarHBondContact CG-OE2 3.1Å; Q301-E328 VanDerWaalsContact NE2-CD 3.29Å; Q301-E328 PolarHBondContact NE2-OE1 3.14Å; Q301-E328 PolarHBondContact NE2-OE2 3.29Å; Q301-E328 PolarHBondContact OE1-OE1 2.81Å
302D85.3Confident84Confident46 Ų4660 Ų6025%0.24628%0.276CS..  trans-87.875.2173.9-169.9-15.1000109.5Y297 R300 D304 N305 A306Y297-D302 HydrophobicContact CD1-CB 3.94Å; Y297-D302 PolarHBondContact O-N 2.99Å; R300-D302 PolarHBondContact O-N 3.41Å; D302-D304 VanDerWaalsContact C-N 3.25Å; D302-D304 PolarHBondContact O-N 2.99Å; D302-N305 PolarHBondContact O-N 3.45Å; D302-N305 PolarHBondContact OD1-N 3.24Å; D302-N305 PolarHBondContact OD1-ND2 2.82Å; D302-N305 PolarHBondContact OD2-ND2 3.42Å; D302-A306 WeakPolarHBondContact O-CB 3.49Å; D302-A306 PolarHBondContact O-N 3.27Å
303W82.1Confident83.7Confident32 Ų3260.3 Ų60.312%0.12128%0.277CS..Hα-helixtrans-63.9-30-174.7-56.8107.5000113.2V298 Q301 R307 I321 Q325 E328V298-W303 HydrophobicContact CB-CZ3 4.42Å; V298-W303 HydrophobicContact CG1-CH2 4.05Å; V298-W303 HydrophobicContact CG1-CZ3 3.88Å; V298-W303 HydrophobicContact CG2-CZ3 4.22Å; Q301-W303 VanDerWaalsContact C-N 3.3Å; Q301-W303 PolarHBondContact O-N 3.15Å; Q301-W303 VanDerWaalsContact O-N 3.1Å; Q301-W303 PolarHBondContact O-NE1 2.77Å; W303-R307 WeakPolarHBondContact O-CB 3.49Å; W303-R307 PolarHBondContact O-N 3Å; W303-I321 HydrophobicContact CE3-CG2 3.66Å; W303-I321 HydrophobicContact CZ3-CG2 4.07Å; W303-I321 WeakPolarHBondContact CZ3-O 3.41Å; W303-Q325 HydrophobicContact CB-CG 4.45Å; W303-Q325 HydrophobicContact CD2-CB 3.81Å; W303-Q325 HydrophobicContact CD2-CG 4.08Å; W303-Q325 HydrophobicContact CE3-CB 3.96Å; W303-Q325 HydrophobicContact CG-CB 4.19Å; W303-Q325 HydrophobicContact CG-CG 3.94Å; W303-Q325 HydrophobicContact CZ3-CB 4.38Å; W303-E328 VanDerWaalsContact CE2-OE2 3.25Å; W303-E328 VanDerWaalsContact CZ2-OE2 3.25Å; W303-E328 WeakPolarHBondContact CZ2-OE2 3.47Å; W303-E328 PolarHBondContact NE1-OE2 2.93Å
304D84.4Confident83.2Confident128 Ų12860.9 Ų60.968%0.68428%0.281SS*.Hα-helixtrans-70.1-46.5-178.1-69-36.8000110.7D302 R308D302-D304 VanDerWaalsContact C-N 3.25Å; D302-D304 PolarHBondContact O-N 2.99Å; D304-R308 WeakPolarHBondContact O-CB 3.41Å; D304-R308 PolarHBondContact O-N 2.97Å
305N84.3Confident82.9Confident51 Ų5164.9 Ų64.927%0.27331%0.307SS..Hα-helixtrans-71.3-39.9176.2-78.3-44.1000112.6Y297 D302 R307 R308 L309Y297-N305 HydrophobicContact CD1-CB 3.56Å; Y297-N305 HydrophobicContact CD2-CB 4.01Å; Y297-N305 HydrophobicContact CE1-CB 3.55Å; Y297-N305 HydrophobicContact CE2-CB 4.01Å; Y297-N305 HydrophobicContact CG-CB 3.8Å; D302-N305 PolarHBondContact O-N 3.45Å; D302-N305 PolarHBondContact OD1-N 3.24Å; D302-N305 PolarHBondContact OD1-ND2 2.82Å; D302-N305 PolarHBondContact OD2-ND2 3.42Å; N305-R307 VanDerWaalsContact C-N 3.28Å; N305-R307 PolarHBondContact O-N 3.27Å; N305-R308 PolarHBondContact O-N 3.16Å; N305-L309 WeakPolarHBondContact O-CB 3.13Å; N305-L309 PolarHBondContact O-N 3.29Å
306A82.8Confident82.4Confident0 Ų068.8 Ų68.80%032%0.323CS..Hα-helixtrans-56.5-44.5173.900000111.3V298 D302 L309 A310 I321V298-A306 HydrophobicContact CG2-CB 3.86Å; D302-A306 WeakPolarHBondContact O-CB 3.49Å; D302-A306 PolarHBondContact O-N 3.27Å; A306-L309 PolarHBondContact O-N 2.93Å; A306-A310 VanDerWaalsContact O-CB 3.25Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.41Å; A306-I321 HydrophobicContact CB-CD1 4.23Å; A306-I321 HydrophobicContact CB-CG2 4.27Å
307R82.7Confident81.9Confident81 Ų8170.1 Ų70.131%0.30633%0.329SS..Hα-helixtrans-68-46.8178.9-172.4179.8-62-151.32.8112.2W303 N305 L309 A310 E311W303-R307 WeakPolarHBondContact O-CB 3.49Å; W303-R307 PolarHBondContact O-N 3Å; N305-R307 VanDerWaalsContact C-N 3.28Å; N305-R307 PolarHBondContact O-N 3.27Å; R307-L309 PolarHBondContact O-N 3.43Å; R307-A310 PolarHBondContact O-N 3.2Å; R307-E311 HydrophobicContact CG-CG 4.27Å; R307-E311 WeakPolarHBondContact CG-OE1 3.39Å; R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 WeakPolarHBondContact O-CG 3.37Å; R307-E311 PolarHBondContact O-N 3.43Å
308R87.1Confident81.5Confident114 Ų11471.8 Ų71.843%0.4334%0.338SS..Hα-helixtrans-52.4-44.4176178.2-17565.796.23111.4E281 D304 N305 K312E281-R308 IonicContact OE1-CZ 2.75Å; E281-R308 IonicContact OE1-NH1 2.7Å; E281-R308 PolarHBondContact OE1-NH1 3.28Å; E281-R308 IonicContact OE1-NH2 3.56Å; E281-R308 PolarHBondContact OE1-NH2 2.94Å; E281-R308 IonicContact OE2-CZ 3.63Å; E281-R308 IonicContact OE2-NH2 3.83Å; E281-R308 PolarHBondContact OE2-NH2 2.56Å; D304-R308 WeakPolarHBondContact O-CB 3.41Å; D304-R308 PolarHBondContact O-N 2.97Å; N305-R308 PolarHBondContact O-N 3.16Å; R308-K312 PolarHBondContact O-N 3.27Å
309L83.8Confident81Confident1 Ų170.9 Ų70.91%0.00533%0.334CS..Hα-helixtrans-74.7-42.5-177.6-168.272.4000112.2E281 I285 A293 V294 N305 A306 R307 K312 H313E281-L309 HydrophobicContact CG-CD1 4.04Å; I285-L309 HydrophobicContact CD1-CD1 4.01Å; A293-L309 HydrophobicContact CB-CD2 3.33Å; V294-L309 HydrophobicContact CG2-CB 4.16Å; V294-L309 HydrophobicContact CG2-CD2 3.78Å; V294-L309 HydrophobicContact CG2-CG 4.03Å; N305-L309 WeakPolarHBondContact O-CB 3.13Å; N305-L309 PolarHBondContact O-N 3.29Å; A306-L309 PolarHBondContact O-N 2.93Å; R307-L309 PolarHBondContact O-N 3.43Å; L309-K312 PolarHBondContact O-N 2.83Å; L309-H313 PolarHBondContact O-N 2.87Å
310A83.1Confident80.6Confident0 Ų067.5 Ų67.50%032%0.318CS..Hα-helixtrans-63.5-41177.200000112.2V294 A306 R307 K312 C314 I318 I321V294-A310 HydrophobicContact CG1-CB 4.36Å; V294-A310 HydrophobicContact CG2-CB 4.12Å; A306-A310 VanDerWaalsContact O-CB 3.25Å; A306-A310 WeakPolarHBondContact O-CB 3.49Å; A306-A310 PolarHBondContact O-N 3.41Å; R307-A310 PolarHBondContact O-N 3.2Å; A310-K312 PolarHBondContact O-N 3.06Å; A310-C314 CarbonylContact O-C 2.84Å; A310-C314 WeakPolarHBondContact O-CA 3.35Å; A310-C314 PolarHBondContact O-N 3.24Å; A310-C314 VanDerWaalsContact O-O 3.05Å; A310-I318 HydrophobicContact CB-CG1 3.73Å; A310-I321 HydrophobicContact CB-CD1 3.52Å
311E83.1Confident80.4Confident124 Ų12463.3 Ų63.358%0.57930%0.302SS*.Hα-helixtrans-59.9-33.7175.5-76.4176.8-178.900112.8R307 I318R307-E311 HydrophobicContact CG-CG 4.27Å; R307-E311 WeakPolarHBondContact CG-OE1 3.39Å; R307-E311 WeakPolarHBondContact O-CB 3.44Å; R307-E311 WeakPolarHBondContact O-CG 3.37Å; R307-E311 PolarHBondContact O-N 3.43Å; E311-I318 HydrophobicContact CG-CD1 4.05Å
312K82.5Confident80.4Confident157 Ų15760.1 Ų60.168%0.68329%0.289SS*.Hα-helixtrans-88.2-40.4-176.4-171.5-179.7171.8-159.50113.5R308 L309 A310R308-K312 PolarHBondContact O-N 3.27Å; L309-K312 PolarHBondContact O-N 2.83Å; A310-K312 PolarHBondContact O-N 3.06Å
313H78.1Confident80Confident69 Ų6958.2 Ų58.232%0.31928%0.279SS..Hα-helixtrans-118.4-28.7-168.8-67-79.9000114.4P290 L309P290-H313 HydrophobicContact CB-CB 3.58Å; P290-H313 HydrophobicContact CG-CB 3.97Å; L309-H313 PolarHBondContact O-N 2.87Å
314C75.5Confident79.8Confident11 Ų1157.6 Ų57.67%0.07428%0.282CS..  trans-142.578.1-173.5-70.90000113P290 A310 E316 E317P290-C314 WeakPolarHBondContact CG-SG 3.41Å; A310-C314 CarbonylContact O-C 2.84Å; A310-C314 WeakPolarHBondContact O-CA 3.35Å; A310-C314 PolarHBondContact O-N 3.24Å; A310-C314 VanDerWaalsContact O-O 3.05Å; C314-E316 PolarHBondContact O-N 3.19Å; C314-E316 VanDerWaalsContact O-N 3.14Å; C314-E317 HydrophobicContact CB-CG 4.1Å; C314-E317 PolarHBondContact O-N 3.13Å
315P77.6Confident79.6Confident87 Ų8753.7 Ų53.757%0.56526%0.26SS*.THydrogen-bonded Turntrans-62.5-23.2-177.9-23.434.1000114.5I318P315-I318 HydrophobicContact CB-CD1 4.4Å; P315-I318 WeakPolarHBondContact O-CG1 3.49Å
316E74.6Confident79.4Confident146 Ų14651.5 Ų51.568%0.68225%0.248SC*.THydrogen-bonded Turntrans-66.9-35.7-178-61179.416700112.6K291 C314 I318K291-E316 IonicContact NZ-OE2 3.15Å; C314-E316 PolarHBondContact O-N 3.19Å; C314-E316 VanDerWaalsContact O-N 3.14Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.14Å
317E74.5Confident79.1Confident30 Ų3056.5 Ų56.514%0.1427%0.267CS..THydrogen-bonded Turntrans-78.3-16.3-174.7-57.6-59.2152.900112.6K291 V294 C314 S319 E320 I321K291-E317 WeakPolarHBondContact CD-OE1 3.28Å; K291-E317 WeakPolarHBondContact CE-OE1 3.41Å; K291-E317 HydrophobicContact CG-CG 4.38Å; K291-E317 IonicContact NZ-OE1 2.7Å; K291-E317 PolarHBondContact NZ-OE1 3.21Å; V294-E317 HydrophobicContact CG1-CB 4.34Å; C314-E317 HydrophobicContact CB-CG 4.1Å; C314-E317 PolarHBondContact O-N 3.13Å; E317-S319 PolarHBondContact O-N 3.5Å; E317-S319 VanDerWaalsContact O-N 3.09Å; E317-E320 PolarHBondContact O-N 3.29Å; E317-I321 WeakPolarHBondContact O-CG1 3.01Å; E317-I321 PolarHBondContact O-N 3.49Å; E317-I321 VanDerWaalsContact O-N 3.11Å
318I79.2Confident78.7Confident41 Ų4156.8 Ų56.821%0.2127%0.272CS..Hα-helixtrans-53.2-38.6-177.4-63.8175.3000111.4A310 E311 P315 E316 I321 L322A310-I318 HydrophobicContact CB-CG1 3.73Å; E311-I318 HydrophobicContact CG-CD1 4.05Å; P315-I318 HydrophobicContact CB-CD1 4.4Å; P315-I318 WeakPolarHBondContact O-CG1 3.49Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.14Å; I318-I321 PolarHBondContact O-N 3.43Å; I318-L322 HydrophobicContact CG2-CD1 4.01Å; I318-L322 HydrophobicContact CG2-CG 4.4Å; I318-L322 VanDerWaalsContact O-CG 3.27Å; I318-L322 WeakPolarHBondContact O-CG 3.45Å; I318-L322 PolarHBondContact O-N 3.27Å
319S74.9Confident78.4Confident17 Ų1756.4 Ų56.412%0.11928%0.278CS..Hα-helixtrans-67.5-36.8-178.1-55.60000112.4E317 I323 Y342E317-S319 PolarHBondContact O-N 3.5Å; E317-S319 VanDerWaalsContact O-N 3.09Å; S319-I323 VanDerWaalsContact O-CG1 3.29Å; S319-I323 WeakPolarHBondContact O-CG1 3.2Å; S319-I323 PolarHBondContact O-N 2.99Å; S319-I323 VanDerWaalsContact O-N 3.14Å; S319-Y342 VanDerWaalsContact OG-CB 3.27Å; S319-Y342 WeakPolarHBondContact OG-CB 3.46Å
320E75.5Confident77.8Confident77 Ų7762.1 Ų62.136%0.3631%0.309SS..Hα-helixtrans-71.5-39.6175.7-61.1-159.9162.900111.5E317 L322 I323 G324 L343 Q346E317-E320 PolarHBondContact O-N 3.29Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 3.39Å; E320-I323 PolarHBondContact O-N 3.32Å; E320-G324 PolarHBondContact O-N 3.42Å; E320-L343 HydrophobicContact CG-CD2 4.11Å; E320-Q346 PolarHBondContact OE1-NE2 3Å
321I78.4Confident77.7Confident5 Ų565.9 Ų65.93%0.02633%0.328CS..Hα-helixtrans-58.2-44.8174.3-59.5170.7000110.3V294 V298 W303 A306 A310 E317 I318 G324 Q325V294-I321 HydrophobicContact CG1-CD1 3.53Å; V294-I321 HydrophobicContact CG1-CG1 4.12Å; V298-I321 HydrophobicContact CG2-CG1 3.8Å; W303-I321 HydrophobicContact CE3-CG2 3.66Å; W303-I321 HydrophobicContact CZ3-CG2 4.07Å; W303-I321 WeakPolarHBondContact CZ3-O 3.41Å; A306-I321 HydrophobicContact CB-CD1 4.23Å; A306-I321 HydrophobicContact CB-CG2 4.27Å; A310-I321 HydrophobicContact CB-CD1 3.52Å; E317-I321 WeakPolarHBondContact O-CG1 3.01Å; E317-I321 PolarHBondContact O-N 3.49Å; E317-I321 VanDerWaalsContact O-N 3.11Å; I318-I321 PolarHBondContact O-N 3.43Å; I321-G324 PolarHBondContact O-N 3.17Å; I321-Q325 WeakPolarHBondContact O-CB 3.3Å; I321-Q325 PolarHBondContact O-N 3.49Å
322L78.5Confident77.3Confident46 Ų4661.7 Ų61.724%0.24131%0.307CS..Hα-helixtrans-64.3-39.6177.9-74.5170.5000112.6I318 E320 A326 V338I318-L322 HydrophobicContact CG2-CD1 4.01Å; I318-L322 HydrophobicContact CG2-CG 4.4Å; I318-L322 VanDerWaalsContact O-CG 3.27Å; I318-L322 WeakPolarHBondContact O-CG 3.45Å; I318-L322 PolarHBondContact O-N 3.27Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-L322 PolarHBondContact O-N 3.39Å; L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 3.37Å; L322-V338 HydrophobicContact CB-CG1 3.85Å; L322-V338 HydrophobicContact CB-CG2 4.29Å; L322-V338 HydrophobicContact CD1-CG1 4.33Å
323I77.6Confident76.9Confident6 Ų658.2 Ų58.23%0.03131%0.308CS..Hα-helixtrans-65.7-44.9174.8-68.9165.5000110.2S319 E320 A326 R327 A335 V338 A339 L350S319-I323 VanDerWaalsContact O-CG1 3.29Å; S319-I323 WeakPolarHBondContact O-CG1 3.2Å; S319-I323 PolarHBondContact O-N 2.99Å; S319-I323 VanDerWaalsContact O-N 3.14Å; E320-I323 PolarHBondContact O-N 3.32Å; I323-A326 PolarHBondContact O-N 3.48Å; I323-R327 HydrophobicContact CG2-CG 4.44Å; I323-R327 VanDerWaalsContact O-CG 3.32Å; I323-R327 WeakPolarHBondContact O-CG 3.26Å; I323-R327 PolarHBondContact O-N 2.97Å; I323-A335 HydrophobicContact CG2-CB 4.44Å; I323-V338 HydrophobicContact CD1-CG1 4.34Å; I323-V338 HydrophobicContact CG1-CB 4.05Å; I323-V338 HydrophobicContact CG1-CG1 3.8Å; I323-A339 HydrophobicContact CD1-CB 3.89Å; I323-A339 HydrophobicContact CG1-CB 4.48Å; I323-L350 HydrophobicContact CD1-CD1 4.24Å; I323-L350 HydrophobicContact CG2-CD1 3.84Å; I323-L350 HydrophobicContact CG2-CD2 3.95Å
324G77.4Confident76.8Confident19 Ų1958.5 Ų58.520%0.19631%0.309CS..Hα-helixtrans-58.8-48.9177.300000112.5E320 I321 A326 R327 E328E320-G324 PolarHBondContact O-N 3.42Å; I321-G324 PolarHBondContact O-N 3.17Å; G324-A326 VanDerWaalsContact C-N 3.32Å; G324-A326 PolarHBondContact O-N 3.19Å; G324-R327 WeakPolarHBondContact O-CB 3.23Å; G324-R327 PolarHBondContact O-N 3.17Å; G324-R327 VanDerWaalsContact O-N 3.17Å; G324-E328 PolarHBondContact O-N 3.09Å
325Q81.4Confident76.7Confident46 Ų4658 Ų5822%0.21531%0.306CS..Hα-helixtrans-60.6-40.9176.4-170.1176.516.200111.9W303 I321 E328 L329W303-Q325 HydrophobicContact CB-CG 4.45Å; W303-Q325 HydrophobicContact CD2-CB 3.81Å; W303-Q325 HydrophobicContact CD2-CG 4.08Å; W303-Q325 HydrophobicContact CE3-CB 3.96Å; W303-Q325 HydrophobicContact CG-CB 4.19Å; W303-Q325 HydrophobicContact CG-CG 3.94Å; W303-Q325 HydrophobicContact CZ3-CB 4.38Å; I321-Q325 WeakPolarHBondContact O-CB 3.3Å; I321-Q325 PolarHBondContact O-N 3.49Å; Q325-E328 PolarHBondContact O-N 3.32Å; Q325-L329 HydrophobicContact CG-CD1 4.13Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 WeakPolarHBondContact O-CG 3.47Å; Q325-L329 PolarHBondContact O-N 3.34Å
326A78.6Confident76.7Confident4 Ų455 Ų553%0.03329%0.286CS..Hα-helixtrans-68.9-33.9176.900000112.8L322 I323 G324 N330 L331 E334 A335L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 3.37Å; I323-A326 PolarHBondContact O-N 3.48Å; G324-A326 VanDerWaalsContact C-N 3.32Å; G324-A326 PolarHBondContact O-N 3.19Å; A326-N330 PolarHBondContact O-N 3.35Å; A326-L331 HydrophobicContact CB-CB 4.45Å; A326-L331 CarbonylContact O-C 3.53Å; A326-L331 WeakPolarHBondContact O-CA 3.46Å; A326-L331 PolarHBondContact O-N 2.89Å; A326-E334 HydrophobicContact CB-CB 4.18Å; A326-E334 HydrophobicContact CB-CG 4.26Å; A326-A335 HydrophobicContact CB-CB 3.75Å
327R77.6Confident77Confident106 Ų10653.6 Ų53.640%0.427%0.274SS..Hα-helixtrans-64.6-44.7172.8-73.1170.783.1-175.15.4111.1I323 G324 N330 W332 A335 L350 E353I323-R327 HydrophobicContact CG2-CG 4.44Å; I323-R327 VanDerWaalsContact O-CG 3.32Å; I323-R327 WeakPolarHBondContact O-CG 3.26Å; I323-R327 PolarHBondContact O-N 2.97Å; G324-R327 WeakPolarHBondContact O-CB 3.23Å; G324-R327 PolarHBondContact O-N 3.17Å; G324-R327 VanDerWaalsContact O-N 3.17Å; R327-N330 PolarHBondContact O-N 3.28Å; R327-W332 HydrophobicContact CG-CH2 4.27Å; R327-W332 HydrophobicContact CG-CZ3 4.24Å; R327-A335 HydrophobicContact CG-CB 4.46Å; R327-L350 HydrophobicContact CG-CD2 4.47Å; R327-E353 IonicContact CZ-OE1 3.92Å; R327-E353 IonicContact CZ-OE2 3.98Å; R327-E353 VanDerWaalsContact CZ-OE2 3.26Å; R327-E353 IonicContact NE-OE2 3.32Å; R327-E353 IonicContact NH2-OE1 2.79Å; R327-E353 PolarHBondContact NH2-OE1 3.02Å; R327-E353 IonicContact NH2-OE2 2.8Å; R327-E353 PolarHBondContact NH2-OE2 3.49Å
328E74.6Confident77.1Confident86 Ų8652.6 Ų52.640%0.40227%0.27SS..Hα-helixtrans-65-43.1179.6-167-173.6156.500112.4Q301 W303 G324 Q325 N330Q301-E328 WeakPolarHBondContact CG-OE2 3.1Å; Q301-E328 VanDerWaalsContact NE2-CD 3.29Å; Q301-E328 PolarHBondContact NE2-OE1 3.14Å; Q301-E328 PolarHBondContact NE2-OE2 3.29Å; Q301-E328 PolarHBondContact OE1-OE1 2.81Å; W303-E328 VanDerWaalsContact CE2-OE2 3.25Å; W303-E328 VanDerWaalsContact CZ2-OE2 3.25Å; W303-E328 WeakPolarHBondContact CZ2-OE2 3.47Å; W303-E328 PolarHBondContact NE1-OE2 2.93Å; G324-E328 PolarHBondContact O-N 3.09Å; Q325-E328 PolarHBondContact O-N 3.32Å; E328-N330 PolarHBondContact O-N 3.36Å; E328-N330 VanDerWaalsContact O-N 3.12Å
329L79.4Confident77Confident106 Ų10650.6 Ų50.656%0.55526%0.26SS*.THydrogen-bonded Turntrans-73.74.3176.8-66172.3000113.5Q325 L331Q325-L329 HydrophobicContact CG-CD1 4.13Å; Q325-L329 WeakPolarHBondContact O-CB 3.45Å; Q325-L329 WeakPolarHBondContact O-CG 3.47Å; Q325-L329 PolarHBondContact O-N 3.34Å; L329-L331 HydrophobicContact CB-CB 4.5Å; L329-L331 HydrophobicContact CB-CD1 3.79Å; L329-L331 HydrophobicContact CB-CG 3.94Å; L329-L331 HydrophobicContact CD1-CD1 4.08Å; L329-L331 PolarHBondContact O-N 3.27Å; L329-L331 VanDerWaalsContact O-N 3.14Å
330N71.9Confident77.1Confident122 Ų12257 Ų5765%0.65228%0.282SS*.THydrogen-bonded Turntrans55.422.6-172.6-88.5-47.6000114.2A326 R327 E328 W332A326-N330 PolarHBondContact O-N 3.35Å; R327-N330 PolarHBondContact O-N 3.28Å; E328-N330 PolarHBondContact O-N 3.36Å; E328-N330 VanDerWaalsContact O-N 3.12Å; N330-W332 PolarHBondContact O-N 3.45Å; N330-W332 VanDerWaalsContact O-N 3.09Å; N330-W332 PolarHBondContact OD1-NE1 2.66Å
331L80.6Confident77.3Confident78 Ų7858.1 Ų58.141%0.40829%0.29SS..  trans-87.559.5177.1-65.4170.5000110A326 L329 A333 E334 A335A326-L331 HydrophobicContact CB-CB 4.45Å; A326-L331 CarbonylContact O-C 3.53Å; A326-L331 WeakPolarHBondContact O-CA 3.46Å; A326-L331 PolarHBondContact O-N 2.89Å; L329-L331 HydrophobicContact CB-CB 4.5Å; L329-L331 HydrophobicContact CB-CD1 3.79Å; L329-L331 HydrophobicContact CB-CG 3.94Å; L329-L331 HydrophobicContact CD1-CD1 4.08Å; L329-L331 PolarHBondContact O-N 3.27Å; L329-L331 VanDerWaalsContact O-N 3.14Å; L331-A333 PolarHBondContact O-N 3.13Å; L331-A333 VanDerWaalsContact O-N 3.11Å; L331-E334 HydrophobicContact CB-CB 4Å; L331-E334 WeakPolarHBondContact O-CA 3.43Å; L331-E334 WeakPolarHBondContact O-CB 3.45Å; L331-E334 PolarHBondContact O-N 3.25Å; L331-A335 PolarHBondContact O-N 2.83Å
332W75.2Confident77.1Confident36 Ų3665.2 Ų65.214%0.13632%0.317CS..Hα-helixtrans-55.3-32.7-179.4-68.693.6000113.4R327 N330 E334 A335 V336 L350 Y354 L357R327-W332 HydrophobicContact CG-CH2 4.27Å; R327-W332 HydrophobicContact CG-CZ3 4.24Å; N330-W332 PolarHBondContact O-N 3.45Å; N330-W332 VanDerWaalsContact O-N 3.09Å; N330-W332 PolarHBondContact OD1-NE1 2.66Å; W332-E334 VanDerWaalsContact C-N 3.28Å; W332-E334 PolarHBondContact O-N 2.92Å; W332-A335 PolarHBondContact O-N 3.34Å; W332-V336 WeakPolarHBondContact O-CB 3.4Å; W332-V336 VanDerWaalsContact O-CG2 3.25Å; W332-V336 WeakPolarHBondContact O-CG2 3.44Å; W332-V336 PolarHBondContact O-N 2.91Å; W332-L350 HydrophobicContact CZ3-CD2 4.46Å; W332-Y354 HydrophobicContact CB-CD2 3.58Å; W332-Y354 HydrophobicContact CB-CE2 3.59Å; W332-Y354 AromaticContact CD2-CD2 3.92Å; W332-Y354 HydrophobicContact CD2-CD2 3.92Å; W332-Y354 HydrophobicContact CE3-CD2 4.06Å; W332-Y354 AromaticContact CG-CD2 3.71Å; W332-Y354 HydrophobicContact CG-CD2 3.71Å; W332-Y354 AromaticContact CG-CE2 3.99Å; W332-Y354 HydrophobicContact CG-CE2 3.99Å; W332-L357 HydrophobicContact CH2-CD1 3.48Å; W332-L357 VanDerWaalsContact CH2-CD1 3.48Å; W332-L357 HydrophobicContact CZ2-CD1 3.14Å; W332-L357 HydrophobicContact CZ3-CD1 4.33Å
333A75Confident76.8Confident84 Ų8464.2 Ų64.269%0.69431%0.312SS*.Hα-helixtrans-63.2-35.5174.800000112.5L331 R337L331-A333 PolarHBondContact O-N 3.13Å; L331-A333 VanDerWaalsContact O-N 3.11Å; A333-R337 WeakPolarHBondContact O-CB 3.2Å; A333-R337 PolarHBondContact O-N 2.98Å; A333-R337 VanDerWaalsContact O-N 3.09Å
334E75.4Confident76.6Confident76 Ų7668.7 Ų68.736%0.35534%0.341SS..Hα-helixtrans-77-41.4176.5-175.2154.2-140.900111.3A326 L331 W332 V336 R337 V338A326-E334 HydrophobicContact CB-CB 4.18Å; A326-E334 HydrophobicContact CB-CG 4.26Å; L331-E334 HydrophobicContact CB-CB 4Å; L331-E334 WeakPolarHBondContact O-CA 3.43Å; L331-E334 WeakPolarHBondContact O-CB 3.45Å; L331-E334 PolarHBondContact O-N 3.25Å; W332-E334 VanDerWaalsContact C-N 3.28Å; W332-E334 PolarHBondContact O-N 2.92Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 3.25Å; E334-R337 WeakPolarHBondContact O-CB 3.45Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-R337 VanDerWaalsContact O-N 3.11Å; E334-R337 IonicContact OE1-CZ 3.7Å; E334-R337 IonicContact OE1-NH1 3.98Å; E334-R337 IonicContact OE1-NH2 2.73Å; E334-R337 PolarHBondContact OE1-NH2 3.06Å; E334-V338 WeakPolarHBondContact O-CG2 3.45Å; E334-V338 PolarHBondContact O-N 2.9Å
335A72.7Confident76.5Confident0 Ų072.6 Ų72.60%037%0.366CS..Hα-helixtrans-57.4-46.2173.700000111.8I323 A326 R327 L331 W332 R337 V338 A339I323-A335 HydrophobicContact CG2-CB 4.44Å; A326-A335 HydrophobicContact CB-CB 3.75Å; R327-A335 HydrophobicContact CG-CB 4.46Å; L331-A335 PolarHBondContact O-N 2.83Å; W332-A335 PolarHBondContact O-N 3.34Å; A335-R337 VanDerWaalsContact C-N 3.34Å; A335-R337 PolarHBondContact O-N 3.27Å; A335-V338 PolarHBondContact O-N 3.35Å; A335-A339 WeakPolarHBondContact O-CB 3.18Å; A335-A339 PolarHBondContact O-N 3.49Å
336V77.2Confident75.9Confident24 Ų2473.3 Ų73.315%0.14537%0.369CS..Hα-helixtrans-69.3-31.3176.8173.90000111.9W332 E334 R340W332-V336 WeakPolarHBondContact O-CB 3.4Å; W332-V336 VanDerWaalsContact O-CG2 3.25Å; W332-V336 WeakPolarHBondContact O-CG2 3.44Å; W332-V336 PolarHBondContact O-N 2.91Å; E334-V336 VanDerWaalsContact C-N 3.34Å; E334-V336 PolarHBondContact O-N 3.25Å; V336-R340 VanDerWaalsContact O-CB 3.25Å; V336-R340 WeakPolarHBondContact O-CB 3.48Å; V336-R340 PolarHBondContact O-N 2.9Å; V336-R340 VanDerWaalsContact O-N 3.1Å
337R80.9Confident75.8Confident117 Ų11775.1 Ų75.144%0.44238%0.378SS..Hα-helixtrans-65.4-51.1173.5-172.7-171.270.2-158.1-5.7110.5A333 E334 A335 R340 D341A333-R337 WeakPolarHBondContact O-CB 3.2Å; A333-R337 PolarHBondContact O-N 2.98Å; A333-R337 VanDerWaalsContact O-N 3.09Å; E334-R337 WeakPolarHBondContact O-CB 3.45Å; E334-R337 PolarHBondContact O-N 3.47Å; E334-R337 VanDerWaalsContact O-N 3.11Å; E334-R337 IonicContact OE1-CZ 3.7Å; E334-R337 IonicContact OE1-NH1 3.98Å; E334-R337 IonicContact OE1-NH2 2.73Å; E334-R337 PolarHBondContact OE1-NH2 3.06Å; A335-R337 VanDerWaalsContact C-N 3.34Å; A335-R337 PolarHBondContact O-N 3.27Å; R337-R340 WeakPolarHBondContact O-CB 3.48Å; R337-R340 PolarHBondContact O-N 3.45Å; R337-D341 VanDerWaalsContact O-CG 3.32Å; R337-D341 PolarHBondContact O-N 3.4Å; R337-D341 VanDerWaalsContact O-N 3.09Å
338V77.8Confident75.7Confident8 Ų872.8 Ų72.85%0.04838%0.381CS..Hα-helixtrans-63.2-44.1-180176.70000111.3L322 I323 E334 A335 R340 D341 Y342L322-V338 HydrophobicContact CB-CG1 3.85Å; L322-V338 HydrophobicContact CB-CG2 4.29Å; L322-V338 HydrophobicContact CD1-CG1 4.33Å; I323-V338 HydrophobicContact CD1-CG1 4.34Å; I323-V338 HydrophobicContact CG1-CB 4.05Å; I323-V338 HydrophobicContact CG1-CG1 3.8Å; E334-V338 WeakPolarHBondContact O-CG2 3.45Å; E334-V338 PolarHBondContact O-N 2.9Å; A335-V338 PolarHBondContact O-N 3.35Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 3.26Å; V338-D341 PolarHBondContact O-N 2.86Å; V338-Y342 HydrophobicContact CG1-CD2 4.12Å; V338-Y342 PolarHBondContact O-N 3.49Å
339A75.7Confident75.9Confident0 Ų072.5 Ų72.50%039%0.386CS..Hα-helixtrans-61.4-37.1176.400000112.6I323 A335 L343 L347 L350I323-A339 HydrophobicContact CD1-CB 3.89Å; I323-A339 HydrophobicContact CG1-CB 4.48Å; A335-A339 WeakPolarHBondContact O-CB 3.18Å; A335-A339 PolarHBondContact O-N 3.49Å; A339-L343 CarbonylContact O-C 3.47Å; A339-L343 WeakPolarHBondContact O-CA 3.45Å; A339-L343 PolarHBondContact O-N 3.36Å; A339-L347 HydrophobicContact CB-CD1 4.39Å; A339-L350 HydrophobicContact CB-CD1 3.67Å
340R77.9Confident75.5Confident152 Ų15267.8 Ų67.857%0.57436%0.361SS*.Hα-helixtrans-66.9-39.4176.4-170.6-164.8-30.2-176.811.3113V336 R337 V338 L347V336-R340 VanDerWaalsContact O-CB 3.25Å; V336-R340 WeakPolarHBondContact O-CB 3.48Å; V336-R340 PolarHBondContact O-N 2.9Å; V336-R340 VanDerWaalsContact O-N 3.1Å; R337-R340 WeakPolarHBondContact O-CB 3.48Å; R337-R340 PolarHBondContact O-N 3.45Å; V338-R340 VanDerWaalsContact C-N 3.29Å; V338-R340 PolarHBondContact O-N 3.26Å; R340-L347 HydrophobicContact CB-CD1 3.89Å; R340-L347 HydrophobicContact CG-CD1 4.45Å
341D79.5Confident75.7Confident99 Ų9965.7 Ų65.753%0.52935%0.348SS..Hα-helixtrans-80.4-35.3-174.6-65.7-15.9000111.7R337 V338R337-D341 VanDerWaalsContact O-CG 3.32Å; R337-D341 PolarHBondContact O-N 3.4Å; R337-D341 VanDerWaalsContact O-N 3.09Å; V338-D341 PolarHBondContact O-N 2.86Å
342Y74.3Confident75.4Confident154 Ų15467.1 Ų67.160%0.60436%0.356SS*.Hα-helixtrans-123-25.3-169.6-58.5-81.7000115.6S319 V338S319-Y342 VanDerWaalsContact OG-CB 3.27Å; S319-Y342 WeakPolarHBondContact OG-CB 3.46Å; V338-Y342 HydrophobicContact CG1-CD2 4.12Å; V338-Y342 PolarHBondContact O-N 3.49Å
343L72.2Confident75.3Confident26 Ų2669 Ų6914%0.13637%0.366CS..  trans-136.573.9-179.2-87.197.7000113.7E320 A339 S345 Q346E320-L343 HydrophobicContact CG-CD2 4.11Å; A339-L343 CarbonylContact O-C 3.47Å; A339-L343 WeakPolarHBondContact O-CA 3.45Å; A339-L343 PolarHBondContact O-N 3.36Å; L343-S345 PolarHBondContact O-N 3.38Å; L343-S345 VanDerWaalsContact O-N 3.11Å; L343-Q346 HydrophobicContact CD2-CG 4.03Å; L343-Q346 PolarHBondContact O-N 3.46Å
344P73.7Confident75Confident99 Ų9968.8 Ų68.864%0.64335%0.348SS*.THydrogen-bonded Turntrans-60.4-25.1-178.8-2333.3000114.4L347P344-L347 VanDerWaalsContact O-CB 3.32Å; P344-L347 WeakPolarHBondContact O-CB 3.32Å; P344-L347 PolarHBondContact O-N 2.94Å
345S75Confident74.8Confident102 Ų10268.8 Ų68.871%0.71335%0.35SS*.THydrogen-bonded Turntrans-69.8-33.1179.851.20000113.6L343L343-S345 PolarHBondContact O-N 3.38Å; L343-S345 VanDerWaalsContact O-N 3.11Å
346Q68.8Low74.5Confident60 Ų6071.3 Ų71.328%0.2837%0.371SS..THydrogen-bonded Turntrans-89.6-4.7178.2-65.9-174.49.300112.8E320 L343 A348 T349 L350E320-Q346 PolarHBondContact OE1-NE2 3Å; L343-Q346 HydrophobicContact CD2-CG 4.03Å; L343-Q346 PolarHBondContact O-N 3.46Å; Q346-A348 VanDerWaalsContact C-N 3.35Å; Q346-A348 PolarHBondContact O-N 3.13Å; Q346-T349 PolarHBondContact O-N 3.3Å; Q346-T349 PolarHBondContact O-OG1 2.67Å; Q346-L350 HydrophobicContact CB-CD1 4.27Å; Q346-L350 WeakPolarHBondContact O-CB 3.5Å; Q346-L350 PolarHBondContact O-N 3.11Å
347L75.9Confident73.8Confident42 Ų4274.9 Ų74.922%0.2239%0.389CS..Hα-helixtrans-59.3-44.9-178.3-171.299000111.9A339 R340 P344 L350 Q351A339-L347 HydrophobicContact CB-CD1 4.39Å; R340-L347 HydrophobicContact CB-CD1 3.89Å; R340-L347 HydrophobicContact CG-CD1 4.45Å; P344-L347 VanDerWaalsContact O-CB 3.32Å; P344-L347 WeakPolarHBondContact O-CB 3.32Å; P344-L347 PolarHBondContact O-N 2.94Å; L347-L350 PolarHBondContact O-N 2.93Å; L347-Q351 WeakPolarHBondContact O-CB 3.44Å; L347-Q351 VanDerWaalsContact O-CG 3.3Å; L347-Q351 WeakPolarHBondContact O-CG 3.37Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 PolarHBondContact O-OE1 3.26Å
348A76Confident72.7Confident57 Ų5775.2 Ų75.247%0.47139%0.393SS..Hα-helixtrans-64-46.1-178.100000111.6Q346 Q351 D352Q346-A348 VanDerWaalsContact C-N 3.35Å; Q346-A348 PolarHBondContact O-N 3.13Å; A348-Q351 PolarHBondContact O-N 3.47Å; A348-D352 VanDerWaalsContact O-CG 3.26Å; A348-D352 PolarHBondContact O-N 3.48Å
349T78.3Confident71.5Confident81 Ų8181.2 Ų81.250%0.49742%0.424SS..Hα-helixtrans-65.3-40.5177.640.80000112.3Q346 Q351 D352 E353Q346-T349 PolarHBondContact O-N 3.3Å; Q346-T349 PolarHBondContact O-OG1 2.67Å; T349-Q351 VanDerWaalsContact C-N 3.35Å; T349-D352 PolarHBondContact O-N 3.48Å; T349-E353 WeakPolarHBondContact O-CG 3.49Å; T349-E353 PolarHBondContact O-N 2.9Å
350L71.3Confident70.4Confident7 Ų785.6 Ų85.64%0.03746%0.455CS..Hα-helixtrans-66.4-35.4174.7-86.3155.2000112.7I323 R327 W332 A339 Q346 L347 Y354I323-L350 HydrophobicContact CD1-CD1 4.24Å; I323-L350 HydrophobicContact CG2-CD1 3.84Å; I323-L350 HydrophobicContact CG2-CD2 3.95Å; R327-L350 HydrophobicContact CG-CD2 4.47Å; W332-L350 HydrophobicContact CZ3-CD2 4.46Å; A339-L350 HydrophobicContact CB-CD1 3.67Å; Q346-L350 HydrophobicContact CB-CD1 4.27Å; Q346-L350 WeakPolarHBondContact O-CB 3.5Å; Q346-L350 PolarHBondContact O-N 3.11Å; L347-L350 PolarHBondContact O-N 2.93Å; L350-Y354 VanDerWaalsContact O-CB 3.28Å; L350-Y354 WeakPolarHBondContact O-CB 3.15Å; L350-Y354 PolarHBondContact O-N 2.89Å
351Q75.4Confident69Low78 Ų7883.8 Ų83.836%0.36447%0.466SS..Hα-helixtrans-68-43173.9-80.6170-38.700111.3L347 A348 T349 E353 Y354 D355L347-Q351 WeakPolarHBondContact O-CB 3.44Å; L347-Q351 VanDerWaalsContact O-CG 3.3Å; L347-Q351 WeakPolarHBondContact O-CG 3.37Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 PolarHBondContact O-OE1 3.26Å; A348-Q351 PolarHBondContact O-N 3.47Å; T349-Q351 VanDerWaalsContact C-N 3.35Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.05Å; Q351-Y354 PolarHBondContact O-N 3.16Å; Q351-D355 VanDerWaalsContact O-CB 3.32Å; Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 VanDerWaalsContact O-CG 3.32Å; Q351-D355 PolarHBondContact O-N 2.61Å
352D75.3Confident67.8Low108 Ų10881 Ų8158%0.57846%0.461SS*.Hα-helixtrans-61.4-41.3175.2-71.5-24000111.6A348 T349 D355 A356A348-D352 VanDerWaalsContact O-CG 3.26Å; A348-D352 PolarHBondContact O-N 3.48Å; T349-D352 PolarHBondContact O-N 3.48Å; D352-D355 PolarHBondContact O-N 3.3Å; D352-A356 WeakPolarHBondContact O-CB 2.97Å; D352-A356 PolarHBondContact O-N 3.3Å
353E72.4Confident66.6Low75 Ų7578.7 Ų78.735%0.3546%0.464SS..Hα-helixtrans-65-43.6174.3-75.3-176178.900112.5R327 T349 Q351 D355 A356 L357R327-E353 IonicContact CZ-OE1 3.92Å; R327-E353 IonicContact CZ-OE2 3.98Å; R327-E353 VanDerWaalsContact CZ-OE2 3.26Å; R327-E353 IonicContact NE-OE2 3.32Å; R327-E353 IonicContact NH2-OE1 2.79Å; R327-E353 PolarHBondContact NH2-OE1 3.02Å; R327-E353 IonicContact NH2-OE2 2.8Å; R327-E353 PolarHBondContact NH2-OE2 3.49Å; T349-E353 WeakPolarHBondContact O-CG 3.49Å; T349-E353 PolarHBondContact O-N 2.9Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.05Å; E353-D355 VanDerWaalsContact C-N 3.32Å; E353-D355 PolarHBondContact O-N 3.24Å; E353-A356 PolarHBondContact O-N 2.89Å; E353-L357 WeakPolarHBondContact O-CB 2.93Å; E353-L357 PolarHBondContact O-N 3.02Å
354Y70.2Confident66Low80 Ų8085.5 Ų85.531%0.31449%0.493SS..Hα-helixtrans-63-39.6176.7178.2-112.4000111.8W332 L350 Q351 K358W332-Y354 HydrophobicContact CB-CD2 3.58Å; W332-Y354 HydrophobicContact CB-CE2 3.59Å; W332-Y354 AromaticContact CD2-CD2 3.92Å; W332-Y354 HydrophobicContact CD2-CD2 3.92Å; W332-Y354 HydrophobicContact CE3-CD2 4.06Å; W332-Y354 AromaticContact CG-CD2 3.71Å; W332-Y354 HydrophobicContact CG-CD2 3.71Å; W332-Y354 AromaticContact CG-CE2 3.99Å; W332-Y354 HydrophobicContact CG-CE2 3.99Å; L350-Y354 VanDerWaalsContact O-CB 3.28Å; L350-Y354 WeakPolarHBondContact O-CB 3.15Å; L350-Y354 PolarHBondContact O-N 2.89Å; Q351-Y354 PolarHBondContact O-N 3.16Å; Y354-K358 HydrophobicContact CE1-CD 4.35Å; Y354-K358 VanDerWaalsContact CZ-NZ 3.28Å; Y354-K358 PolarHBondContact O-N 3.42Å; Y354-K358 VanDerWaalsContact OH-CE 3.24Å; Y354-K358 WeakPolarHBondContact OH-CE 3.23Å; Y354-K358 PolarHBondContact OH-NZ 3.32Å
355D70.6Confident65.6Low75 Ų7586.4 Ų86.440%0.40149%0.492SS..Hα-helixtrans-73.9-37.6176.5-73.3-19.9000111.3Q351 D352 E353 L357 K358 L359Q351-D355 VanDerWaalsContact O-CB 3.32Å; Q351-D355 WeakPolarHBondContact O-CB 3.45Å; Q351-D355 VanDerWaalsContact O-CG 3.32Å; Q351-D355 PolarHBondContact O-N 2.61Å; D352-D355 PolarHBondContact O-N 3.3Å; E353-D355 VanDerWaalsContact C-N 3.32Å; E353-D355 PolarHBondContact O-N 3.24Å; D355-L357 VanDerWaalsContact C-N 3.35Å; D355-L357 PolarHBondContact O-N 3.42Å; D355-K358 CarbonylContact O-C 2.87Å; D355-K358 WeakPolarHBondContact O-CA 3.14Å; D355-K358 WeakPolarHBondContact O-CB 3.39Å; D355-K358 PolarHBondContact O-N 2.95Å; D355-K358 VanDerWaalsContact O-N 3.15Å; D355-L359 HydrophobicContact CB-CD1 4.45Å; D355-L359 VanDerWaalsContact O-CB 3.32Å; D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CD1 3.44Å; D355-L359 WeakPolarHBondContact O-CG 3.27Å; D355-L359 PolarHBondContact O-N 3.11Å
356A65.6Low65.2Low54 Ų5482.1 Ų82.145%0.44646%0.463SS..Hα-helixtrans-62.2-40.4173.700000112D352 E353 K358 L359 S360D352-A356 WeakPolarHBondContact O-CB 2.97Å; D352-A356 PolarHBondContact O-N 3.3Å; E353-A356 PolarHBondContact O-N 2.89Å; A356-K358 VanDerWaalsContact C-N 3.3Å; A356-K358 PolarHBondContact O-N 3.32Å; A356-L359 CarbonylContact O-C 3.54Å; A356-L359 PolarHBondContact O-N 2.97Å; A356-L359 VanDerWaalsContact O-N 3.13Å; A356-S360 PolarHBondContact O-N 3.38Å
357L62.1Low65.5Low98 Ų9881.6 Ų81.651%0.51347%0.474SS..Hα-helixtrans-61-39.6173-84.4159.1000111.7W332 E353 D355 S360W332-L357 HydrophobicContact CH2-CD1 3.48Å; W332-L357 VanDerWaalsContact CH2-CD1 3.48Å; W332-L357 HydrophobicContact CZ2-CD1 3.14Å; W332-L357 HydrophobicContact CZ3-CD1 4.33Å; E353-L357 WeakPolarHBondContact O-CB 2.93Å; E353-L357 PolarHBondContact O-N 3.02Å; D355-L357 VanDerWaalsContact C-N 3.35Å; D355-L357 PolarHBondContact O-N 3.42Å; L357-S360 PolarHBondContact O-OG 3.43Å
358K58.9Low65.4Low125 Ų12581.3 Ų81.354%0.54348%0.478SS..Hα-helixtrans-68.6-34.2171.8-73178.8177.4172.70113.4Y354 D355 A356Y354-K358 HydrophobicContact CE1-CD 4.35Å; Y354-K358 VanDerWaalsContact CZ-NZ 3.28Å; Y354-K358 PolarHBondContact O-N 3.42Å; Y354-K358 VanDerWaalsContact OH-CE 3.24Å; Y354-K358 WeakPolarHBondContact OH-CE 3.23Å; Y354-K358 PolarHBondContact OH-NZ 3.32Å; D355-K358 CarbonylContact O-C 2.87Å; D355-K358 WeakPolarHBondContact O-CA 3.14Å; D355-K358 WeakPolarHBondContact O-CB 3.39Å; D355-K358 PolarHBondContact O-N 2.95Å; D355-K358 VanDerWaalsContact O-N 3.15Å; A356-K358 VanDerWaalsContact C-N 3.3Å; A356-K358 PolarHBondContact O-N 3.32Å
359L52Low65.4Low133 Ų13380.4 Ų80.470%0.69646%0.463SS*.Hα-helixtrans-82-20.5-177.8-80.7153.5000113.8D355 A356 S361 G362D355-L359 HydrophobicContact CB-CD1 4.45Å; D355-L359 VanDerWaalsContact O-CB 3.32Å; D355-L359 WeakPolarHBondContact O-CB 3.39Å; D355-L359 WeakPolarHBondContact O-CD1 3.44Å; D355-L359 WeakPolarHBondContact O-CG 3.27Å; D355-L359 PolarHBondContact O-N 3.11Å; A356-L359 CarbonylContact O-C 3.54Å; A356-L359 PolarHBondContact O-N 2.97Å; A356-L359 VanDerWaalsContact O-N 3.13Å; L359-S361 PolarHBondContact O-N 3.4Å; L359-G362 PolarHBondContact O-N 2.99Å
360S53Low65.6Low92 Ų9278.7 Ų78.764%0.64345%0.45SS*.THydrogen-bonded Turntrans-61.8-8.2177.875.30000114.6A356 L357A356-S360 PolarHBondContact O-N 3.38Å; L357-S360 PolarHBondContact O-OG 3.43Å
361S49Very low66.1Low114 Ų11481.2 Ų81.280%0.79747%0.472SS*.THydrogen-bonded Turntrans-84.82177.8-165.60000114.4L359L359-S361 PolarHBondContact O-N 3.4Å
362G53.1Low66.4Low41 Ų4181.3 Ų81.342%0.42347%0.473SS..SBendtrans-88154.6-178.700000116.2L359L359-G362 PolarHBondContact O-N 2.99Å
363P49.8Very low66.7Low105 Ų10576.2 Ų76.268%0.68245%0.446SS*.  trans-72.6141.6-173.228.8-32.9000113.5
364K59.9Low67.3Low170 Ų17075.8 Ų75.874%0.73945%0.446SS*.  trans-95.314.6-165.1-63.7-176.9176.7-178.40116
365D65.9Low68Low117 Ų11776 Ų7663%0.62645%0.453SS*.  trans-85.3144.8-171.8-69.9-15.8000113.3G367 A368 F369D365-G367 PolarHBondContact O-N 2.91Å; D365-G367 VanDerWaalsContact O-N 3.15Å; D365-A368 WeakPolarHBondContact O-CA 3.46Å; D365-A368 WeakPolarHBondContact O-CB 3.44Å; D365-A368 PolarHBondContact O-N 3.27Å; D365-F369 WeakPolarHBondContact O-CD2 3.5Å; D365-F369 PolarHBondContact O-N 3.04Å
366A65.6Low68.7Low12 Ų1275 Ų7510%0.09944%0.443CS..Hα-helixtrans-56-32176.500000113.2L370 L396 T397 M402A366-L370 PolarHBondContact O-N 3.31Å; A366-L396 HydrophobicContact CB-CD2 4.13Å; A366-T397 HydrophobicContact CB-CG2 4.35Å; A366-M402 HydrophobicContact CB-CE 3.91Å
367G75.5Confident69.6Low49 Ų4974.6 Ų74.651%0.50543%0.432SS..Hα-helixtrans-67.8-32.6173.600000113.6D365 A371D365-G367 PolarHBondContact O-N 2.91Å; D365-G367 VanDerWaalsContact O-N 3.15Å; G367-A371 WeakPolarHBondContact O-CB 3.47Å; G367-A371 PolarHBondContact O-N 2.9Å
368A73.5Confident70.7Confident37 Ų3778.5 Ų78.531%0.30645%0.445SS..Hα-helixtrans-71.4-41.817600000111D365 L370 A371 Q372D365-A368 WeakPolarHBondContact O-CA 3.46Å; D365-A368 WeakPolarHBondContact O-CB 3.44Å; D365-A368 PolarHBondContact O-N 3.27Å; A368-L370 PolarHBondContact O-N 3.44Å; A368-A371 PolarHBondContact O-N 3.33Å; A368-Q372 VanDerWaalsContact O-CB 3.27Å; A368-Q372 WeakPolarHBondContact O-CB 3.47Å; A368-Q372 PolarHBondContact O-N 3.13Å
369F77.1Confident71.9Confident38 Ų3877.8 Ų77.817%0.16744%0.443CS..Hα-helixtrans-63.2-39.5173.9-73.5-65.9000112.6D365 Q372 A373 K391 I392 L396D365-F369 WeakPolarHBondContact O-CD2 3.5Å; D365-F369 PolarHBondContact O-N 3.04Å; F369-Q372 PolarHBondContact O-N 2.89Å; F369-A373 VanDerWaalsContact O-CB 3.31Å; F369-A373 WeakPolarHBondContact O-CB 3.42Å; F369-A373 PolarHBondContact O-N 3.13Å; F369-K391 HydrophobicContact CD1-CB 4.06Å; F369-K391 HydrophobicContact CD1-CD 4.08Å; F369-K391 HydrophobicContact CE1-CB 4.16Å; F369-K391 HydrophobicContact CE1-CD 3.69Å; F369-K391 HydrophobicContact CG-CB 4.47Å; F369-I392 HydrophobicContact CB-CD1 4.32Å; F369-I392 HydrophobicContact CB-CG1 3.88Å; F369-L396 HydrophobicContact CD2-CD2 3.37Å; F369-L396 HydrophobicContact CE2-CD2 3.53Å
370L81Confident73.3Confident44 Ų4473.1 Ų73.123%0.2343%0.428CS..Hα-helixtrans-62.6-46.9172.7-94.6-170.7000112.8A366 A368 Q372 A373 N374 Y389 I392 M402 C406A366-L370 PolarHBondContact O-N 3.31Å; A368-L370 PolarHBondContact O-N 3.44Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 3.25Å; L370-A373 PolarHBondContact O-N 3.41Å; L370-N374 WeakPolarHBondContact O-CB 3.22Å; L370-N374 PolarHBondContact O-N 3.13Å; L370-N374 PolarHBondContact O-ND2 3.43Å; L370-Y389 HydrophobicContact CD2-CD1 4.22Å; L370-Y389 HydrophobicContact CD2-CE1 3.84Å; L370-I392 HydrophobicContact CD2-CD1 3.77Å; L370-I392 HydrophobicContact CG-CD1 3.72Å; L370-M402 HydrophobicContact CD1-CE 3.16Å; L370-M402 HydrophobicContact CD1-CG 4.33Å; L370-M402 HydrophobicContact CG-CE 3.72Å; L370-C406 WeakPolarHBondContact CD2-SG 3.39Å
371A81.5Confident74.7Confident60 Ų6072.7 Ų72.750%0.49642%0.415SS..Hα-helixtrans-62.7-38.6178.500000111.1G367 A368 N375G367-A371 WeakPolarHBondContact O-CB 3.47Å; G367-A371 PolarHBondContact O-N 2.9Å; A368-A371 PolarHBondContact O-N 3.33Å; A371-N375 WeakPolarHBondContact O-CB 3.09Å; A371-N375 PolarHBondContact O-N 3.13Å
372Q82.7Confident76.3Confident81 Ų8170.5 Ų70.538%0.37939%0.39SS..Hα-helixtrans-66.7-45.6175.5-167.9178.930.300111.7A368 F369 L370 N374 N375 W376 C388A368-Q372 VanDerWaalsContact O-CB 3.27Å; A368-Q372 WeakPolarHBondContact O-CB 3.47Å; A368-Q372 PolarHBondContact O-N 3.13Å; F369-Q372 PolarHBondContact O-N 2.89Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 3.25Å; Q372-N374 PolarHBondContact O-N 2.67Å; Q372-N375 WeakPolarHBondContact O-CB 3.25Å; Q372-N375 PolarHBondContact O-N 3.43Å; Q372-N375 VanDerWaalsContact O-N 3.14Å; Q372-W376 PolarHBondContact O-N 2.92Å; Q372-C388 PolarHBondContact OE1-SG 3.21Å
373A81.4Confident77.6Confident0 Ų073.6 Ų73.60%039%0.394CS..Hα-helixtrans-59.5-45.8176.400000111.6F369 L370 N375 W376 E377 C388 Y389F369-A373 VanDerWaalsContact O-CB 3.31Å; F369-A373 WeakPolarHBondContact O-CB 3.42Å; F369-A373 PolarHBondContact O-N 3.13Å; L370-A373 PolarHBondContact O-N 3.41Å; A373-N375 VanDerWaalsContact C-N 3.28Å; A373-N375 PolarHBondContact O-N 3.38Å; A373-W376 PolarHBondContact O-N 3.04Å; A373-E377 WeakPolarHBondContact O-CB 3.48Å; A373-E377 PolarHBondContact O-N 3.19Å; A373-C388 HydrophobicContact CB-CB 3.65Å; A373-Y389 HydrophobicContact CB-CD1 3.78Å; A373-Y389 HydrophobicContact CB-CD2 4Å; A373-Y389 HydrophobicContact CB-CE1 3.61Å; A373-Y389 HydrophobicContact CB-CE2 3.83Å; A373-Y389 HydrophobicContact CB-CG 3.96Å
374N84.3Confident79Confident67 Ų6774 Ų7436%0.35838%0.382SS..Hα-helixtrans-66-29.5176.6-68.6-21.5000112.7L370 Q372 K378 Y389L370-N374 WeakPolarHBondContact O-CB 3.22Å; L370-N374 PolarHBondContact O-N 3.13Å; L370-N374 PolarHBondContact O-ND2 3.43Å; Q372-N374 PolarHBondContact O-N 2.67Å; N374-K378 VanDerWaalsContact O-CG 3.31Å; N374-K378 WeakPolarHBondContact O-CG 3.5Å; N374-K378 PolarHBondContact O-N 3.21Å; N374-K378 VanDerWaalsContact O-N 3.15Å; N374-Y389 PolarHBondContact OD1-OH 3.42Å
375N85.4Confident80.1Confident85 Ų8565.9 Ų65.946%0.45535%0.346SS..Hα-helixtrans-72.3-43.7175.2-165.112.7000110.9A371 Q372 A373 E377 K378 Q379A371-N375 WeakPolarHBondContact O-CB 3.09Å; A371-N375 PolarHBondContact O-N 3.13Å; Q372-N375 WeakPolarHBondContact O-CB 3.25Å; Q372-N375 PolarHBondContact O-N 3.43Å; Q372-N375 VanDerWaalsContact O-N 3.14Å; A373-N375 VanDerWaalsContact C-N 3.28Å; A373-N375 PolarHBondContact O-N 3.38Å; N375-E377 VanDerWaalsContact C-N 3.34Å; N375-K378 PolarHBondContact O-N 2.93Å; N375-Q379 VanDerWaalsContact O-CG 3.3Å; N375-Q379 WeakPolarHBondContact O-CG 3.47Å; N375-Q379 PolarHBondContact O-N 3.5Å; N375-Q379 PolarHBondContact OD1-NE2 2.86Å
376W84.8Confident80.9Confident53 Ų5360.3 Ų60.320%0.20132%0.317CS..Hα-helixtrans-63.4-39.3173.7-68.8127000112.4Q372 A373 K378 Q379 G380 E381 R384 A385 C388Q372-W376 PolarHBondContact O-N 2.92Å; A373-W376 PolarHBondContact O-N 3.04Å; W376-K378 VanDerWaalsContact C-N 3.31Å; W376-K378 PolarHBondContact O-N 2.69Å; W376-Q379 VanDerWaalsContact CZ3-OE1 3.22Å; W376-Q379 PolarHBondContact O-N 2.74Å; W376-Q379 VanDerWaalsContact O-N 3.12Å; W376-G380 PolarHBondContact O-N 3.15Å; W376-G380 VanDerWaalsContact O-N 3.15Å; W376-E381 HydrophobicContact CB-CB 4.48Å; W376-E381 HydrophobicContact CE3-CB 3.75Å; W376-E381 HydrophobicContact CE3-CG 4.01Å; W376-E381 HydrophobicContact CZ3-CB 4.43Å; W376-E381 HydrophobicContact CZ3-CG 4.24Å; W376-E381 PolarHBondContact O-N 2.96Å; W376-E381 VanDerWaalsContact O-N 3.11Å; W376-R384 HydrophobicContact CB-CB 4.28Å; W376-R384 HydrophobicContact CD2-CB 3.84Å; W376-R384 HydrophobicContact CE3-CB 4.31Å; W376-R384 HydrophobicContact CG-CB 3.82Å; W376-R384 VanDerWaalsContact CH2-NH1 3.27Å; W376-A385 HydrophobicContact CB-CB 3.85Å; W376-C388 VanDerWaalsContact CD1-SG 3.59Å
377E85.3Confident81.6Confident45 Ų4563.5 Ų63.521%0.2133%0.329CS..Hα-helixtrans-59.6-41.3173.6-171.6-175.9-177.500111.6A373 N375 Q379 G380 A385 Y389 R409 I413A373-E377 WeakPolarHBondContact O-CB 3.48Å; A373-E377 PolarHBondContact O-N 3.19Å; N375-E377 VanDerWaalsContact C-N 3.34Å; E377-Q379 VanDerWaalsContact C-N 3.33Å; E377-Q379 PolarHBondContact O-N 3.48Å; E377-G380 PolarHBondContact O-N 3.2Å; E377-A385 HydrophobicContact CB-CB 4.43Å; E377-Y389 PolarHBondContact OE2-OH 2.91Å; E377-R409 IonicContact OE1-CZ 3.37Å; E377-R409 VanDerWaalsContact OE1-CZ 3.3Å; E377-R409 IonicContact OE1-NE 2.87Å; E377-R409 PolarHBondContact OE1-NE 2.89Å; E377-R409 VanDerWaalsContact OE1-NE 3.14Å; E377-R409 IonicContact OE1-NH2 3.3Å; E377-R409 PolarHBondContact OE1-NH2 3.45Å; E377-R409 IonicContact OE2-NE 3.69Å; E377-I413 HydrophobicContact CG-CD1 4.3Å
378K85.2Confident81.9Confident181 Ų18161.4 Ų61.479%0.78731%0.307SS*.Hα-helixtrans-69.1-28.3175.2-75.6175.8-177.7-179.70113.7N374 N375 W376 G380N374-K378 VanDerWaalsContact O-CG 3.31Å; N374-K378 WeakPolarHBondContact O-CG 3.5Å; N374-K378 PolarHBondContact O-N 3.21Å; N374-K378 VanDerWaalsContact O-N 3.15Å; N375-K378 PolarHBondContact O-N 2.93Å; W376-K378 VanDerWaalsContact C-N 3.31Å; W376-K378 PolarHBondContact O-N 2.69Å; K378-G380 VanDerWaalsContact C-N 3.32Å
379Q83.2Confident82.2Confident109 Ų10960 Ų6051%0.50929%0.294SS..Hα-helixtrans-84-6.8179.3-70.417525.300113N375 W376 E377 E381N375-Q379 VanDerWaalsContact O-CG 3.3Å; N375-Q379 WeakPolarHBondContact O-CG 3.47Å; N375-Q379 PolarHBondContact O-N 3.5Å; N375-Q379 PolarHBondContact OD1-NE2 2.86Å; W376-Q379 VanDerWaalsContact CZ3-OE1 3.22Å; W376-Q379 PolarHBondContact O-N 2.74Å; W376-Q379 VanDerWaalsContact O-N 3.12Å; E377-Q379 VanDerWaalsContact C-N 3.33Å; E377-Q379 PolarHBondContact O-N 3.48Å; Q379-E381 VanDerWaalsContact C-N 3.28Å
380G82.1Confident82.3Confident36 Ų3658.5 Ų58.537%0.37129%0.288SS..THydrogen-bonded Turntrans79.28.4-177.300000114.2W376 E377 K378 Y382W376-G380 PolarHBondContact O-N 3.15Å; W376-G380 VanDerWaalsContact O-N 3.15Å; E377-G380 PolarHBondContact O-N 3.2Å; K378-G380 VanDerWaalsContact C-N 3.32Å; G380-Y382 VanDerWaalsContact O-CD2 3.28Å; G380-Y382 WeakPolarHBondContact O-CD2 3.44Å; G380-Y382 WeakPolarHBondContact O-CE2 3.12Å; G380-Y382 PolarHBondContact O-N 3.4Å
381E82.6Confident82.1Confident82 Ų8261.5 Ų61.538%0.38330%0.299SS..  trans-88.974.8178.6-72.4-77.1-167.500109.8W376 Q379 E383 R384 A385W376-E381 HydrophobicContact CB-CB 4.48Å; W376-E381 HydrophobicContact CE3-CB 3.75Å; W376-E381 HydrophobicContact CE3-CG 4.01Å; W376-E381 HydrophobicContact CZ3-CB 4.43Å; W376-E381 HydrophobicContact CZ3-CG 4.24Å; W376-E381 PolarHBondContact O-N 2.96Å; W376-E381 VanDerWaalsContact O-N 3.11Å; Q379-E381 VanDerWaalsContact C-N 3.28Å; E381-E383 PolarHBondContact O-N 3.41Å; E381-R384 HydrophobicContact CB-CB 4.3Å; E381-R384 PolarHBondContact O-N 3.27Å; E381-A385 PolarHBondContact O-N 3.4Å
382Y82.3Confident81.9Confident69 Ų6958.7 Ų58.727%0.27128%0.275SS..Hα-helixtrans-65.2-35.1-170.9-60.6-64.6000113.9G380 A385 V386 I413 F417G380-Y382 VanDerWaalsContact O-CD2 3.28Å; G380-Y382 WeakPolarHBondContact O-CD2 3.44Å; G380-Y382 WeakPolarHBondContact O-CE2 3.12Å; G380-Y382 PolarHBondContact O-N 3.4Å; Y382-A385 PolarHBondContact O-N 3.4Å; Y382-V386 WeakPolarHBondContact O-CG2 3.14Å; Y382-V386 PolarHBondContact O-N 3.43Å; Y382-I413 HydrophobicContact CD1-CG2 3.74Å; Y382-I413 HydrophobicContact CG-CG2 4.11Å; Y382-F417 HydrophobicContact CD1-CB 4.03Å; Y382-F417 AromaticContact CD1-CD2 3.67Å; Y382-F417 HydrophobicContact CD1-CD2 3.67Å; Y382-F417 HydrophobicContact CD1-CE2 4.24Å; Y382-F417 AromaticContact CD1-CG 3.83Å; Y382-F417 HydrophobicContact CD1-CG 3.83Å; Y382-F417 HydrophobicContact CD2-CB 3.47Å; Y382-F417 VanDerWaalsContact CD2-CB 3.47Å; Y382-F417 HydrophobicContact CD2-CD1 4.04Å; Y382-F417 HydrophobicContact CD2-CD2 4.43Å; Y382-F417 AromaticContact CD2-CG 3.75Å; Y382-F417 HydrophobicContact CD2-CG 3.75Å; Y382-F417 HydrophobicContact CE1-CB 4.38Å; Y382-F417 HydrophobicContact CE1-CD1 4.04Å; Y382-F417 AromaticContact CE1-CD2 3.55Å; Y382-F417 HydrophobicContact CE1-CD2 3.55Å; Y382-F417 HydrophobicContact CE1-CE1 4.17Å; Y382-F417 AromaticContact CE1-CE2 3.69Å; Y382-F417 HydrophobicContact CE1-CE2 3.69Å; Y382-F417 AromaticContact CE1-CG 3.73Å; Y382-F417 HydrophobicContact CE1-CG 3.73Å; Y382-F417 HydrophobicContact CE1-CZ 4Å; Y382-F417 HydrophobicContact CE2-CB 3.87Å; Y382-F417 AromaticContact CE2-CD1 3.48Å; Y382-F417 HydrophobicContact CE2-CD1 3.48Å; Y382-F417 VanDerWaalsContact CE2-CD1 3.48Å; Y382-F417 HydrophobicContact CE2-CD2 4.33Å; Y382-F417 HydrophobicContact CE2-CE1 4.06Å; Y382-F417 AromaticContact CE2-CG 3.64Å; Y382-F417 HydrophobicContact CE2-CG 3.64Å; Y382-F417 HydrophobicContact CG-CB 3.54Å; Y382-F417 HydrophobicContact CG-CD2 4.12Å; Y382-F417 AromaticContact CG-CG 3.83Å; Y382-F417 HydrophobicContact CG-CG 3.83Å; Y382-F417 AromaticContact CZ-CD1 3.48Å; Y382-F417 VanDerWaalsContact CZ-CD1 3.48Å; Y382-F417 AromaticContact CZ-CD2 3.9Å; Y382-F417 AromaticContact CZ-CE1 3.61Å; Y382-F417 AromaticContact CZ-CG 3.63Å; Y382-F417 AromaticContact CZ-CZ 3.88Å; Y382-F417 WeakPolarHBondContact OH-CE1 3.48Å
383E80.3Confident81.4Confident105 Ų10555.8 Ų55.849%0.49126%0.263SS..Hα-helixtrans-63.3-46.2176.6-67.6-172.2165.700111.7E381 A385 V386 Q387 L418E381-E383 PolarHBondContact O-N 3.41Å; E383-A385 VanDerWaalsContact C-N 3.32Å; E383-A385 PolarHBondContact O-N 3.29Å; E383-V386 PolarHBondContact O-N 2.85Å; E383-Q387 WeakPolarHBondContact O-CG 3.48Å; E383-Q387 PolarHBondContact O-N 3.49Å; E383-L418 HydrophobicContact CG-CD2 3.48Å; E383-L418 VanDerWaalsContact CG-CD2 3.48Å
384R79.4Confident80.7Confident114 Ų11458.6 Ų58.643%0.4328%0.281SS..Hα-helixtrans-66.5-36.5177.7-64.4-178.2177.9177.41.1111.5W376 E381 Q387 C388W376-R384 HydrophobicContact CB-CB 4.28Å; W376-R384 HydrophobicContact CD2-CB 3.84Å; W376-R384 HydrophobicContact CE3-CB 4.31Å; W376-R384 HydrophobicContact CG-CB 3.82Å; W376-R384 VanDerWaalsContact CH2-NH1 3.27Å; E381-R384 HydrophobicContact CB-CB 4.3Å; E381-R384 PolarHBondContact O-N 3.27Å; R384-Q387 PolarHBondContact O-N 2.96Å; R384-C388 WeakPolarHBondContact O-CB 3.37Å; R384-C388 PolarHBondContact O-N 3.15Å; R384-C388 PolarHBondContact O-SG 2.88Å
385A83.1Confident80Confident0 Ų063.9 Ų63.90%030%0.304CS..Hα-helixtrans-61.5-48173.700000111.4W376 E377 E381 Y382 E383 Q387 C388 Y389 I413W376-A385 HydrophobicContact CB-CB 3.85Å; E377-A385 HydrophobicContact CB-CB 4.43Å; E381-A385 PolarHBondContact O-N 3.4Å; Y382-A385 PolarHBondContact O-N 3.4Å; E383-A385 VanDerWaalsContact C-N 3.32Å; E383-A385 PolarHBondContact O-N 3.29Å; A385-Q387 PolarHBondContact O-N 3.49Å; A385-C388 PolarHBondContact O-N 3.16Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.39Å; A385-I413 HydrophobicContact CB-CD1 4.46Å
386V82.2Confident79.1Confident0 Ų063 Ų630%030%0.299CS..Hα-helixtrans-60.5-45.2176.6170.80000111.1Y382 E383 C388 Y389 L390 I413 L418 W424 I428Y382-V386 WeakPolarHBondContact O-CG2 3.14Å; Y382-V386 PolarHBondContact O-N 3.43Å; E383-V386 PolarHBondContact O-N 2.85Å; V386-C388 VanDerWaalsContact C-N 3.34Å; V386-C388 PolarHBondContact O-N 3.41Å; V386-Y389 PolarHBondContact O-N 3.46Å; V386-L390 HydrophobicContact CG1-CD1 3.88Å; V386-L390 HydrophobicContact CG1-CG 4.27Å; V386-L390 WeakPolarHBondContact O-CB 3.14Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.42Å; V386-L390 PolarHBondContact O-N 2.96Å; V386-I413 HydrophobicContact CG2-CB 4.04Å; V386-I413 HydrophobicContact CG2-CG2 3.71Å; V386-L418 HydrophobicContact CB-CD1 4.41Å; V386-L418 HydrophobicContact CG2-CD1 3.84Å; V386-W424 HydrophobicContact CG1-CD2 4.1Å; V386-W424 HydrophobicContact CG1-CE3 3.64Å; V386-W424 HydrophobicContact CG1-CZ3 4.27Å; V386-I428 HydrophobicContact CG1-CD1 4.49Å
387Q81.2Confident78.3Confident79 Ų7961.6 Ų61.637%0.36930%0.296SS..Hα-helixtrans-59-42.6174.8-71.6177.314.100112.7E383 R384 A385 L390 K391 W424E383-Q387 WeakPolarHBondContact O-CG 3.48Å; E383-Q387 PolarHBondContact O-N 3.49Å; R384-Q387 PolarHBondContact O-N 2.96Å; A385-Q387 PolarHBondContact O-N 3.49Å; Q387-L390 PolarHBondContact O-N 3.43Å; Q387-K391 WeakPolarHBondContact O-CG 3.37Å; Q387-K391 PolarHBondContact O-N 3.26Å; Q387-K391 VanDerWaalsContact O-N 3.07Å; Q387-W424 HydrophobicContact CG-CH2 3.24Å; Q387-W424 HydrophobicContact CG-CZ2 4.2Å; Q387-W424 HydrophobicContact CG-CZ3 3.59Å; Q387-W424 VanDerWaalsContact NE2-CH2 3.31Å
388C80.7Confident77.5Confident5 Ų567.1 Ų67.13%0.03433%0.327CS..Hα-helixtrans-66.6-36.5176.9-76.40000112.7Q372 A373 W376 R384 A385 V386Q372-C388 PolarHBondContact OE1-SG 3.21Å; A373-C388 HydrophobicContact CB-CB 3.65Å; W376-C388 VanDerWaalsContact CD1-SG 3.59Å; R384-C388 WeakPolarHBondContact O-CB 3.37Å; R384-C388 PolarHBondContact O-N 3.15Å; R384-C388 PolarHBondContact O-SG 2.88Å; A385-C388 PolarHBondContact O-N 3.16Å; V386-C388 VanDerWaalsContact C-N 3.34Å; V386-C388 PolarHBondContact O-N 3.41Å
389Y81.6Confident76.9Confident6 Ų661.9 Ų61.92%0.02431%0.308CS..Hα-helixtrans-68.5-37.1173.2-74.2-59.7000112.6L370 A373 N374 E377 A385 V386 K391 I392 C406 R409 A410 I413L370-Y389 HydrophobicContact CD2-CD1 4.22Å; L370-Y389 HydrophobicContact CD2-CE1 3.84Å; A373-Y389 HydrophobicContact CB-CD1 3.78Å; A373-Y389 HydrophobicContact CB-CD2 4Å; A373-Y389 HydrophobicContact CB-CE1 3.61Å; A373-Y389 HydrophobicContact CB-CE2 3.83Å; A373-Y389 HydrophobicContact CB-CG 3.96Å; N374-Y389 PolarHBondContact OD1-OH 3.42Å; E377-Y389 PolarHBondContact OE2-OH 2.91Å; A385-Y389 WeakPolarHBondContact O-CD2 3.49Å; A385-Y389 PolarHBondContact O-N 3.39Å; V386-Y389 PolarHBondContact O-N 3.46Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; Y389-I392 WeakPolarHBondContact O-CB 3.37Å; Y389-I392 PolarHBondContact O-N 3.49Å; Y389-C406 HydrophobicContact CD1-CB 4Å; Y389-R409 HydrophobicContact CE1-CG 4.5Å; Y389-R409 HydrophobicContact CE2-CB 4.5Å; Y389-R409 HydrophobicContact CE2-CG 4.02Å; Y389-A410 HydrophobicContact CD2-CB 4.38Å; Y389-A410 HydrophobicContact CG-CB 4.38Å; Y389-I413 HydrophobicContact CD2-CD1 4.18Å; Y389-I413 HydrophobicContact CE2-CD1 3.59Å
390L78.1Confident76.1Confident8 Ų861.5 Ų61.54%0.04231%0.313CS..Hα-helixtrans-70.7-25.8178.1-72.4178.2000113.4V386 Q387 I392 W424 I428 Y431V386-L390 HydrophobicContact CG1-CD1 3.88Å; V386-L390 HydrophobicContact CG1-CG 4.27Å; V386-L390 WeakPolarHBondContact O-CB 3.14Å; V386-L390 VanDerWaalsContact O-CG 3.3Å; V386-L390 WeakPolarHBondContact O-CG 3.42Å; V386-L390 PolarHBondContact O-N 2.96Å; Q387-L390 PolarHBondContact O-N 3.43Å; L390-I392 PolarHBondContact O-N 2.96Å; L390-W424 HydrophobicContact CD1-CE3 3.89Å; L390-W424 HydrophobicContact CD1-CZ3 4.02Å; L390-I428 HydrophobicContact CD1-CG1 4.4Å; L390-I428 HydrophobicContact CD2-CG1 3.79Å; L390-Y431 HydrophobicContact CB-CE2 4.3Å; L390-Y431 HydrophobicContact CD2-CD2 3.58Å; L390-Y431 HydrophobicContact CD2-CE2 3.91Å; L390-Y431 HydrophobicContact CD2-CG 4.37Å; L390-Y431 HydrophobicContact CG-CE2 4.47Å
391K76.9Confident75.7Confident107 Ų10763.2 Ų63.247%0.46532%0.316SS..THydrogen-bonded Turntrans-67.4-16.1172.2-75.5175.1-174.8-179.10113.4F369 Q387 Y389 T393F369-K391 HydrophobicContact CD1-CB 4.06Å; F369-K391 HydrophobicContact CD1-CD 4.08Å; F369-K391 HydrophobicContact CE1-CB 4.16Å; F369-K391 HydrophobicContact CE1-CD 3.69Å; F369-K391 HydrophobicContact CG-CB 4.47Å; Q387-K391 WeakPolarHBondContact O-CG 3.37Å; Q387-K391 PolarHBondContact O-N 3.26Å; Q387-K391 VanDerWaalsContact O-N 3.07Å; Y389-K391 VanDerWaalsContact C-N 3.33Å; K391-T393 PolarHBondContact O-N 3.26Å; K391-T393 VanDerWaalsContact O-N 3.09Å
392I76.7Confident75.2Confident0 Ų060.9 Ų60.90%031%0.306CS..  trans-81.388.8173-52.2172.6000107.2F369 L370 Y389 L390 T397 L403 C406 W407F369-I392 HydrophobicContact CB-CD1 4.32Å; F369-I392 HydrophobicContact CB-CG1 3.88Å; L370-I392 HydrophobicContact CD2-CD1 3.77Å; L370-I392 HydrophobicContact CG-CD1 3.72Å; Y389-I392 WeakPolarHBondContact O-CB 3.37Å; Y389-I392 PolarHBondContact O-N 3.49Å; L390-I392 PolarHBondContact O-N 2.96Å; I392-T397 HydrophobicContact CG2-CG2 3.84Å; I392-L403 HydrophobicContact CG2-CD2 3.84Å; I392-L403 WeakPolarHBondContact O-CD2 3.37Å; I392-C406 HydrophobicContact CD1-CB 4.19Å; I392-C406 VanDerWaalsContact CD1-SG 3.54Å; I392-W407 PolarHBondContact O-NE1 3.36Å; I392-W407 VanDerWaalsContact O-NE1 3.09Å
393T72.6Confident74.8Confident21 Ų2158.2 Ų58.213%0.12930%0.296CS..  trans-97.9164.5178.859.20000110.9K391 E395 L396 T397 Y431K391-T393 PolarHBondContact O-N 3.26Å; K391-T393 VanDerWaalsContact O-N 3.09Å; T393-E395 PolarHBondContact O-N 3.11Å; T393-L396 PolarHBondContact O-N 3Å; T393-T397 PolarHBondContact O-N 3.33Å; T393-Y431 HydrophobicContact CG2-CE1 3.92Å
394P67.8Low74.3Confident58 Ų5856.4 Ų56.438%0.37729%0.288SS..THydrogen-bonded Turntrans-57.6-15.7171.6-22.734.1000113.8L396 L403 W407P394-L396 VanDerWaalsContact C-N 3.34Å; P394-L403 HydrophobicContact CB-CD1 4.44Å; P394-L403 HydrophobicContact CG-CD1 4.35Å; P394-W407 HydrophobicContact CG-CH2 4.25Å
395E67.8Low74.3Confident179 Ų17958 Ų5884%0.83630%0.298SS*.THydrogen-bonded Turntrans-75.6-22.8174.9-56170171.300112.4T393T393-E395 PolarHBondContact O-N 3.11Å
396L67.7Low74.2Confident65 Ų6558.2 Ų58.234%0.3430%0.299SS..THydrogen-bonded Turntrans-99.4-22.8-175.1-123.991000113.8A366 F369 T393 P394A366-L396 HydrophobicContact CB-CD2 4.13Å; F369-L396 HydrophobicContact CD2-CD2 3.37Å; F369-L396 HydrophobicContact CE2-CD2 3.53Å; T393-L396 PolarHBondContact O-N 3Å; P394-L396 VanDerWaalsContact C-N 3.34Å
397T68.2Low74Confident25 Ų2558.4 Ų58.415%0.15330%0.3CS..  trans-155.3138.9179.1-179.40000111.5A366 I392 T393 D399 M402 L403A366-T397 HydrophobicContact CB-CG2 4.35Å; I392-T397 HydrophobicContact CG2-CG2 3.84Å; T393-T397 PolarHBondContact O-N 3.33Å; T397-D399 VanDerWaalsContact C-N 3.32Å; T397-D399 PolarHBondContact OG1-N 3.08Å; T397-M402 HydrophobicContact CG2-SD 4.06Å; T397-L403 HydrophobicContact CG2-CD2 3.91Å; T397-L403 HydrophobicContact CG2-CG 4Å
398N67.5Low73.8Confident160 Ų16057.7 Ų57.786%0.85630%0.298SS*.  trans-87-0.5173.7-67.5-21.9000112.8T400N398-T400 PolarHBondContact O-N 3.25Å
399D73.8Confident73.8Confident72 Ų7262.5 Ų62.539%0.38532%0.316SS..  trans-79.997.7179.5-173.8-7.4000110.9T397 T401 M402 L403T397-D399 VanDerWaalsContact C-N 3.32Å; T397-D399 PolarHBondContact OG1-N 3.08Å; D399-T401 PolarHBondContact O-N 2.86Å; D399-T401 WeakPolarHBondContact OD1-CB 3.16Å; D399-T401 PolarHBondContact OD1-N 3.41Å; D399-T401 PolarHBondContact OD1-OG1 3.48Å; D399-M402 HydrophobicContact CB-CB 3.83Å; D399-M402 WeakPolarHBondContact O-CB 3.42Å; D399-M402 PolarHBondContact O-N 2.89Å; D399-M402 PolarHBondContact OD1-N 3.04Å; D399-L403 PolarHBondContact O-N 3.23Å; D399-L403 VanDerWaalsContact O-N 3.12Å
400T66.6Low73.8Confident100 Ų10062.2 Ų62.261%0.61332%0.315SS*.Hα-helixtrans-59.8-30.3178530000112.9N398 E404N398-T400 PolarHBondContact O-N 3.25Å; T400-E404 WeakPolarHBondContact O-CB 3.47Å; T400-E404 PolarHBondContact O-N 3.49Å; T400-E404 VanDerWaalsContact O-N 3.12Å
401T73.3Confident73.4Confident72 Ų7262 Ų6244%0.44231%0.313SS..Hα-helixtrans-76.7-31.3179.972.70000112.2D399 K405D399-T401 PolarHBondContact O-N 2.86Å; D399-T401 WeakPolarHBondContact OD1-CB 3.16Å; D399-T401 PolarHBondContact OD1-N 3.41Å; D399-T401 PolarHBondContact OD1-OG1 3.48Å; T401-K405 VanDerWaalsContact O-CG 3.31Å; T401-K405 WeakPolarHBondContact O-CG 3.44Å; T401-K405 PolarHBondContact O-N 3.08Å
402M71.5Confident73.5Confident34 Ų3459.2 Ų59.217%0.16730%0.304CS..Hα-helixtrans-71.1-45.3174.7-174.7-169.1-175.600110.5A366 L370 T397 D399 E404 K405 C406A366-M402 HydrophobicContact CB-CE 3.91Å; L370-M402 HydrophobicContact CD1-CE 3.16Å; L370-M402 HydrophobicContact CD1-CG 4.33Å; L370-M402 HydrophobicContact CG-CE 3.72Å; T397-M402 HydrophobicContact CG2-SD 4.06Å; D399-M402 HydrophobicContact CB-CB 3.83Å; D399-M402 WeakPolarHBondContact O-CB 3.42Å; D399-M402 PolarHBondContact O-N 2.89Å; D399-M402 PolarHBondContact OD1-N 3.04Å; M402-E404 PolarHBondContact O-N 3.27Å; M402-K405 PolarHBondContact O-N 2.8Å; M402-C406 WeakPolarHBondContact O-CB 3.49Å; M402-C406 PolarHBondContact O-N 2.7Å; M402-C406 PolarHBondContact O-SG 3.31Å
403L74.1Confident73.7Confident13 Ų1359.4 Ų59.47%0.06831%0.305CS..Hα-helixtrans-58.2-47.6176.2-70.8168000111.4I392 P394 T397 D399 K405 C406 W407I392-L403 HydrophobicContact CG2-CD2 3.84Å; I392-L403 WeakPolarHBondContact O-CD2 3.37Å; P394-L403 HydrophobicContact CB-CD1 4.44Å; P394-L403 HydrophobicContact CG-CD1 4.35Å; T397-L403 HydrophobicContact CG2-CD2 3.91Å; T397-L403 HydrophobicContact CG2-CG 4Å; D399-L403 PolarHBondContact O-N 3.23Å; D399-L403 VanDerWaalsContact O-N 3.12Å; L403-K405 PolarHBondContact O-N 3.17Å; L403-C406 PolarHBondContact O-N 3.05Å; L403-W407 HydrophobicContact CB-CZ2 4.48Å; L403-W407 HydrophobicContact CD2-CZ2 3.87Å; L403-W407 PolarHBondContact O-N 3.22Å
404E69.7Low73.9Confident67 Ų6758.4 Ų58.431%0.31330%0.299SS..Hα-helixtrans-56.9-48.4176.9-175.6179.5169.100111.5T400 M402 C406 L408 Y443T400-E404 WeakPolarHBondContact O-CB 3.47Å; T400-E404 PolarHBondContact O-N 3.49Å; T400-E404 VanDerWaalsContact O-N 3.12Å; M402-E404 PolarHBondContact O-N 3.27Å; E404-C406 PolarHBondContact O-N 3.5Å; E404-L408 HydrophobicContact CG-CD1 3.81Å; E404-L408 HydrophobicContact CG-CG 4.42Å; E404-L408 VanDerWaalsContact O-CB 3.23Å; E404-L408 WeakPolarHBondContact O-CB 3.27Å; E404-L408 WeakPolarHBondContact O-CG 3.31Å; E404-L408 PolarHBondContact O-N 3.26Å; E404-Y443 WeakPolarHBondContact CG-OH 3.5Å; E404-Y443 PolarHBondContact OE2-OH 3.44Å
405K79.8Confident74Confident148 Ų14858.3 Ų58.364%0.64330%0.297SS*.Hα-helixtrans-62.8-41.2177.8-74.8172.5-176.1169.40112.7T401 M402 L403 R409T401-K405 VanDerWaalsContact O-CG 3.31Å; T401-K405 WeakPolarHBondContact O-CG 3.44Å; T401-K405 PolarHBondContact O-N 3.08Å; M402-K405 PolarHBondContact O-N 2.8Å; L403-K405 PolarHBondContact O-N 3.17Å; K405-R409 VanDerWaalsContact O-CB 3.28Å; K405-R409 WeakPolarHBondContact O-CB 3.33Å; K405-R409 PolarHBondContact O-N 3.46Å
406C79.6Confident74.6Confident3 Ų355.7 Ų55.72%0.0228%0.283CS..Hα-helixtrans-66.1-46.8-178.7-66.80000111.6L370 Y389 I392 M402 L403 E404 R409 A410L370-C406 WeakPolarHBondContact CD2-SG 3.39Å; Y389-C406 HydrophobicContact CD1-CB 4Å; I392-C406 HydrophobicContact CD1-CB 4.19Å; I392-C406 VanDerWaalsContact CD1-SG 3.54Å; M402-C406 WeakPolarHBondContact O-CB 3.49Å; M402-C406 PolarHBondContact O-N 2.7Å; M402-C406 PolarHBondContact O-SG 3.31Å; L403-C406 PolarHBondContact O-N 3.05Å; E404-C406 PolarHBondContact O-N 3.5Å; C406-R409 PolarHBondContact O-N 2.98Å; C406-A410 WeakPolarHBondContact O-CB 3.46Å; C406-A410 PolarHBondContact O-N 2.79Å
407W79.5Confident75Confident4 Ų457.7 Ų57.72%0.01529%0.289CS..Hα-helixtrans-76-33.3-178.2-58.8-19.1000112.8I392 P394 L403 R409 A410 A411 Y431 F432 V435I392-W407 PolarHBondContact O-NE1 3.36Å; I392-W407 VanDerWaalsContact O-NE1 3.09Å; P394-W407 HydrophobicContact CG-CH2 4.25Å; L403-W407 HydrophobicContact CB-CZ2 4.48Å; L403-W407 HydrophobicContact CD2-CZ2 3.87Å; L403-W407 PolarHBondContact O-N 3.22Å; W407-R409 VanDerWaalsContact C-N 3.31Å; W407-A410 PolarHBondContact O-N 2.93Å; W407-A411 WeakPolarHBondContact O-CB 3.47Å; W407-A411 PolarHBondContact O-N 3.03Å; W407-Y431 WeakPolarHBondContact CH2-O 3.47Å; W407-Y431 WeakPolarHBondContact CZ3-O 3.43Å; W407-F432 HydrophobicContact CB-CE1 4.28Å; W407-F432 HydrophobicContact CB-CE2 3.85Å; W407-F432 HydrophobicContact CB-CZ 3.58Å; W407-F432 HydrophobicContact CE3-CD1 4.06Å; W407-F432 AromaticContact CE3-CE1 4Å; W407-F432 HydrophobicContact CE3-CE1 4Å; W407-F432 HydrophobicContact CE3-CG 4.45Å; W407-F432 HydrophobicContact CE3-CZ 4.34Å; W407-V435 HydrophobicContact CH2-CG2 3.59Å; W407-V435 HydrophobicContact CZ3-CG2 3.37Å
408L76.9Confident75.1Confident64 Ų6457.5 Ų57.534%0.33529%0.287SS..Hα-helixtrans-61.9-41.2168.1-75.3173.4000111E404 A411 D412E404-L408 HydrophobicContact CG-CD1 3.81Å; E404-L408 HydrophobicContact CG-CG 4.42Å; E404-L408 VanDerWaalsContact O-CB 3.23Å; E404-L408 WeakPolarHBondContact O-CB 3.27Å; E404-L408 WeakPolarHBondContact O-CG 3.31Å; E404-L408 PolarHBondContact O-N 3.26Å; L408-A411 PolarHBondContact O-N 2.84Å; L408-D412 WeakPolarHBondContact O-CB 3.15Å; L408-D412 PolarHBondContact O-N 3.25Å
409R81Confident75Confident107 Ų10755.8 Ų55.840%0.40428%0.278SS..Hα-helixtrans-67.5-39176.7-166.958.9171.5-173.11.5112E377 Y389 K405 C406 W407 D412 I413E377-R409 IonicContact OE1-CZ 3.37Å; E377-R409 VanDerWaalsContact OE1-CZ 3.3Å; E377-R409 IonicContact OE1-NE 2.87Å; E377-R409 PolarHBondContact OE1-NE 2.89Å; E377-R409 VanDerWaalsContact OE1-NE 3.14Å; E377-R409 IonicContact OE1-NH2 3.3Å; E377-R409 PolarHBondContact OE1-NH2 3.45Å; E377-R409 IonicContact OE2-NE 3.69Å; Y389-R409 HydrophobicContact CE1-CG 4.5Å; Y389-R409 HydrophobicContact CE2-CB 4.5Å; Y389-R409 HydrophobicContact CE2-CG 4.02Å; K405-R409 VanDerWaalsContact O-CB 3.28Å; K405-R409 WeakPolarHBondContact O-CB 3.33Å; K405-R409 PolarHBondContact O-N 3.46Å; C406-R409 PolarHBondContact O-N 2.98Å; W407-R409 VanDerWaalsContact C-N 3.31Å; R409-D412 WeakPolarHBondContact O-CB 3.41Å; R409-D412 PolarHBondContact O-N 3.43Å; R409-I413 HydrophobicContact CG-CD1 4.11Å; R409-I413 VanDerWaalsContact O-CG1 3.28Å; R409-I413 WeakPolarHBondContact O-CG1 3.25Å; R409-I413 PolarHBondContact O-N 2.91Å
410A79.7Confident74.2Confident0 Ų057.5 Ų57.50%029%0.293CS..Hα-helixtrans-61.8-43.5173.500000111.9Y389 C406 W407 I413 A414 I428Y389-A410 HydrophobicContact CD2-CB 4.38Å; Y389-A410 HydrophobicContact CG-CB 4.38Å; C406-A410 WeakPolarHBondContact O-CB 3.46Å; C406-A410 PolarHBondContact O-N 2.79Å; W407-A410 PolarHBondContact O-N 2.93Å; A410-I413 PolarHBondContact O-N 3.3Å; A410-A414 VanDerWaalsContact O-CB 3.28Å; A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 3.42Å; A410-I428 HydrophobicContact CB-CD1 4.41Å
411A70.8Confident73.7Confident2 Ų256.6 Ų56.62%0.01730%0.304CS..Hα-helixtrans-65.1-40.7175.600000112W407 L408 A414 T415 I428 F450W407-A411 WeakPolarHBondContact O-CB 3.47Å; W407-A411 PolarHBondContact O-N 3.03Å; L408-A411 PolarHBondContact O-N 2.84Å; A411-A414 PolarHBondContact O-N 3.46Å; A411-T415 WeakPolarHBondContact O-CB 3.3Å; A411-T415 VanDerWaalsContact O-CG2 3.27Å; A411-T415 WeakPolarHBondContact O-CG2 3.35Å; A411-T415 PolarHBondContact O-N 2.84Å; A411-T415 PolarHBondContact O-OG1 3.28Å; A411-I428 HydrophobicContact CB-CG2 4.36Å; A411-F450 HydrophobicContact CB-CE1 4.28Å; A411-F450 HydrophobicContact CB-CZ 3.95Å
412D78.2Confident73Confident50 Ų5055.3 Ų55.327%0.26730%0.296SS..Hα-helixtrans-62-41.9174.7-108.331.9000112.2L408 R409 T415 K416L408-D412 WeakPolarHBondContact O-CB 3.15Å; L408-D412 PolarHBondContact O-N 3.25Å; R409-D412 WeakPolarHBondContact O-CB 3.41Å; R409-D412 PolarHBondContact O-N 3.43Å; D412-T415 WeakPolarHBondContact CA-OG1 3.44Å; D412-T415 PolarHBondContact O-OG1 3.46Å; D412-T415 VanDerWaalsContact O-OG1 3.08Å; D412-K416 VanDerWaalsContact O-CB 3.29Å; D412-K416 WeakPolarHBondContact O-CB 3.29Å; D412-K416 WeakPolarHBondContact O-CD 3.4Å; D412-K416 VanDerWaalsContact O-CG 3.23Å; D412-K416 WeakPolarHBondContact O-CG 3.43Å; D412-K416 PolarHBondContact O-N 2.91Å; D412-K416 VanDerWaalsContact O-N 3.09Å; D412-K416 IonicContact OD2-NZ 3.45Å; D412-K416 PolarHBondContact OD2-NZ 3.48Å
413I81.2Confident72.7Confident3 Ų358.2 Ų58.22%0.01532%0.315CS..Hα-helixtrans-69.5-44.1177.6-69.3166.2000110.1E377 Y382 A385 V386 Y389 R409 A410 T415 K416 F417E377-I413 HydrophobicContact CG-CD1 4.3Å; Y382-I413 HydrophobicContact CD1-CG2 3.74Å; Y382-I413 HydrophobicContact CG-CG2 4.11Å; A385-I413 HydrophobicContact CB-CD1 4.46Å; V386-I413 HydrophobicContact CG2-CB 4.04Å; V386-I413 HydrophobicContact CG2-CG2 3.71Å; Y389-I413 HydrophobicContact CD2-CD1 4.18Å; Y389-I413 HydrophobicContact CE2-CD1 3.59Å; R409-I413 HydrophobicContact CG-CD1 4.11Å; R409-I413 VanDerWaalsContact O-CG1 3.28Å; R409-I413 WeakPolarHBondContact O-CG1 3.25Å; R409-I413 PolarHBondContact O-N 2.91Å; A410-I413 PolarHBondContact O-N 3.3Å; I413-T415 VanDerWaalsContact C-N 3.3Å; I413-T415 PolarHBondContact O-N 2.84Å; I413-K416 PolarHBondContact O-N 3.01Å; I413-F417 HydrophobicContact CG2-CD2 4.29Å; I413-F417 PolarHBondContact O-N 3.23Å
414A76.4Confident72.3Confident1 Ų159.3 Ų59.31%0.00832%0.318CS..Hα-helixtrans-63.1-35.2178.500000112.6A410 A411 L418 I428A410-A414 VanDerWaalsContact O-CB 3.28Å; A410-A414 WeakPolarHBondContact O-CB 3.24Å; A410-A414 PolarHBondContact O-N 3.42Å; A411-A414 PolarHBondContact O-N 3.46Å; A414-L418 HydrophobicContact CB-CD1 4.14Å; A414-L418 CarbonylContact O-C 3.33Å; A414-L418 WeakPolarHBondContact O-CB 3.47Å; A414-L418 PolarHBondContact O-N 3.39Å; A414-I428 HydrophobicContact CB-CD1 4.06Å
415T70.6Confident72Confident55 Ų5557.5 Ų57.534%0.33731%0.31SS..Hα-helixtrans-79.8-29.517850.90000113.7A411 D412 I413 L425A411-T415 WeakPolarHBondContact O-CB 3.3Å; A411-T415 VanDerWaalsContact O-CG2 3.27Å; A411-T415 WeakPolarHBondContact O-CG2 3.35Å; A411-T415 PolarHBondContact O-N 2.84Å; A411-T415 PolarHBondContact O-OG1 3.28Å; D412-T415 WeakPolarHBondContact CA-OG1 3.44Å; D412-T415 PolarHBondContact O-OG1 3.46Å; D412-T415 VanDerWaalsContact O-OG1 3.08Å; I413-T415 VanDerWaalsContact C-N 3.3Å; I413-T415 PolarHBondContact O-N 2.84Å; T415-L425 HydrophobicContact CG2-CD2 4.42Å
416K79.4Confident71.3Confident124 Ų12459 Ų5954%0.53932%0.317SS..Hα-helixtrans-88.7-32.3-177.7-72.4170.5-175.4157.60113.8D412 I413D412-K416 VanDerWaalsContact O-CB 3.29Å; D412-K416 WeakPolarHBondContact O-CB 3.29Å; D412-K416 WeakPolarHBondContact O-CD 3.4Å; D412-K416 VanDerWaalsContact O-CG 3.23Å; D412-K416 WeakPolarHBondContact O-CG 3.43Å; D412-K416 PolarHBondContact O-N 2.91Å; D412-K416 VanDerWaalsContact O-N 3.09Å; D412-K416 IonicContact OD2-NZ 3.45Å; D412-K416 PolarHBondContact OD2-NZ 3.48Å; I413-K416 PolarHBondContact O-N 3.01Å
417F77.2Confident70.5Confident108 Ų10862.7 Ų62.747%0.47433%0.334SS..Hα-helixtrans-130-10.9-167.2-57.2-74.8000114.7Y382 I413Y382-F417 HydrophobicContact CD1-CB 4.03Å; Y382-F417 AromaticContact CD1-CD2 3.67Å; Y382-F417 HydrophobicContact CD1-CD2 3.67Å; Y382-F417 HydrophobicContact CD1-CE2 4.24Å; Y382-F417 AromaticContact CD1-CG 3.83Å; Y382-F417 HydrophobicContact CD1-CG 3.83Å; Y382-F417 HydrophobicContact CD2-CB 3.47Å; Y382-F417 VanDerWaalsContact CD2-CB 3.47Å; Y382-F417 HydrophobicContact CD2-CD1 4.04Å; Y382-F417 HydrophobicContact CD2-CD2 4.43Å; Y382-F417 AromaticContact CD2-CG 3.75Å; Y382-F417 HydrophobicContact CD2-CG 3.75Å; Y382-F417 HydrophobicContact CE1-CB 4.38Å; Y382-F417 HydrophobicContact CE1-CD1 4.04Å; Y382-F417 AromaticContact CE1-CD2 3.55Å; Y382-F417 HydrophobicContact CE1-CD2 3.55Å; Y382-F417 HydrophobicContact CE1-CE1 4.17Å; Y382-F417 AromaticContact CE1-CE2 3.69Å; Y382-F417 HydrophobicContact CE1-CE2 3.69Å; Y382-F417 AromaticContact CE1-CG 3.73Å; Y382-F417 HydrophobicContact CE1-CG 3.73Å; Y382-F417 HydrophobicContact CE1-CZ 4Å; Y382-F417 HydrophobicContact CE2-CB 3.87Å; Y382-F417 AromaticContact CE2-CD1 3.48Å; Y382-F417 HydrophobicContact CE2-CD1 3.48Å; Y382-F417 VanDerWaalsContact CE2-CD1 3.48Å; Y382-F417 HydrophobicContact CE2-CD2 4.33Å; Y382-F417 HydrophobicContact CE2-CE1 4.06Å; Y382-F417 AromaticContact CE2-CG 3.64Å; Y382-F417 HydrophobicContact CE2-CG 3.64Å; Y382-F417 HydrophobicContact CG-CB 3.54Å; Y382-F417 HydrophobicContact CG-CD2 4.12Å; Y382-F417 AromaticContact CG-CG 3.83Å; Y382-F417 HydrophobicContact CG-CG 3.83Å; Y382-F417 AromaticContact CZ-CD1 3.48Å; Y382-F417 VanDerWaalsContact CZ-CD1 3.48Å; Y382-F417 AromaticContact CZ-CD2 3.9Å; Y382-F417 AromaticContact CZ-CE1 3.61Å; Y382-F417 AromaticContact CZ-CG 3.63Å; Y382-F417 AromaticContact CZ-CZ 3.88Å; Y382-F417 WeakPolarHBondContact OH-CE1 3.48Å; I413-F417 HydrophobicContact CG2-CD2 4.29Å; I413-F417 PolarHBondContact O-N 3.23Å
418L70.2Confident69.8Low20 Ų2062.8 Ų62.811%0.10534%0.335CS..SBendtrans-113.6152.7176.6-55.5174.5000110E383 V386 A414 W424E383-L418 HydrophobicContact CG-CD2 3.48Å; E383-L418 VanDerWaalsContact CG-CD2 3.48Å; V386-L418 HydrophobicContact CB-CD1 4.41Å; V386-L418 HydrophobicContact CG2-CD1 3.84Å; A414-L418 HydrophobicContact CB-CD1 4.14Å; A414-L418 CarbonylContact O-C 3.33Å; A414-L418 WeakPolarHBondContact O-CB 3.47Å; A414-L418 PolarHBondContact O-N 3.39Å; L418-W424 HydrophobicContact CD1-CG 4.15Å
419D66.2Low69.2Low125 Ų12562.2 Ų62.267%0.66834%0.339SS*.  trans-64.9132-177-82.4-44.5000111.5G421 T422D419-G421 PolarHBondContact O-N 3.39Å; D419-T422 HydrophobicContact CB-CG2 4.14Å; D419-T422 WeakPolarHBondContact O-CB 3.48Å; D419-T422 PolarHBondContact O-N 2.91Å; D419-T422 PolarHBondContact O-OG1 2.87Å
420P57.2Low68.3Low108 Ų10859 Ų5970%0.70134%0.339SS*.THydrogen-bonded Turntrans-56.6-15.1-178.3-24.731.7000115.4L425P420-L425 WeakPolarHBondContact O-CD1 3.33Å
421G54.8Low67.5Low81 Ų8162.9 Ų62.984%0.83536%0.355SS*.THydrogen-bonded Turntrans-90.54.3178.800000115.6D419D419-G421 PolarHBondContact O-N 3.39Å
422T59.7Low67Low45 Ų4565 Ų6528%0.27636%0.363SS..SBendtrans-88.6151.2-169.3460000115.3D419 W424 L425D419-T422 HydrophobicContact CB-CG2 4.14Å; D419-T422 WeakPolarHBondContact O-CB 3.48Å; D419-T422 PolarHBondContact O-N 2.91Å; D419-T422 PolarHBondContact O-OG1 2.87Å; T422-W424 PolarHBondContact O-N 2.8Å; T422-L425 PolarHBondContact O-N 3.33Å
423V65Low66Low94 Ų9465.9 Ų65.957%0.5738%0.377SS*.Hα-helixtrans-43-27.6174.4176.90000113.6L425 K426 Q427V423-L425 PolarHBondContact O-N 3.43Å; V423-K426 PolarHBondContact O-N 2.85Å; V423-Q427 HydrophobicContact CG1-CG 4.06Å; V423-Q427 WeakPolarHBondContact O-CG 3.44Å; V423-Q427 PolarHBondContact O-N 3.47Å
424W64.7Low64.8Low36 Ų3669.9 Ų69.914%0.13640%0.402CS..Hα-helixtrans-58-44.2-179.7-60116.5000113.7V386 Q387 L390 L418 T422 K426 Q427 I428V386-W424 HydrophobicContact CG1-CD2 4.1Å; V386-W424 HydrophobicContact CG1-CE3 3.64Å; V386-W424 HydrophobicContact CG1-CZ3 4.27Å; Q387-W424 HydrophobicContact CG-CH2 3.24Å; Q387-W424 HydrophobicContact CG-CZ2 4.2Å; Q387-W424 HydrophobicContact CG-CZ3 3.59Å; Q387-W424 VanDerWaalsContact NE2-CH2 3.31Å; L390-W424 HydrophobicContact CD1-CE3 3.89Å; L390-W424 HydrophobicContact CD1-CZ3 4.02Å; L418-W424 HydrophobicContact CD1-CG 4.15Å; T422-W424 PolarHBondContact O-N 2.8Å; W424-K426 PolarHBondContact O-N 3.39Å; W424-Q427 PolarHBondContact O-N 2.97Å; W424-I428 WeakPolarHBondContact O-CB 3.42Å; W424-I428 WeakPolarHBondContact O-CD1 3.43Å; W424-I428 WeakPolarHBondContact O-CG1 3.38Å; W424-I428 PolarHBondContact O-N 2.87Å
425L63Low63.8Low29 Ų2973.2 Ų73.215%0.15242%0.423CS..Hα-helixtrans-69.4-34.8-179.4-73.6166.9000112.2T415 P420 T422 V423 A429 L455T415-L425 HydrophobicContact CG2-CD2 4.42Å; P420-L425 WeakPolarHBondContact O-CD1 3.33Å; T422-L425 PolarHBondContact O-N 3.33Å; V423-L425 PolarHBondContact O-N 3.43Å; L425-A429 VanDerWaalsContact O-CB 3.29Å; L425-A429 WeakPolarHBondContact O-CB 3.46Å; L425-A429 PolarHBondContact O-N 2.9Å; L425-L455 HydrophobicContact CD1-CD2 3.7Å; L425-L455 HydrophobicContact CD2-CD2 4.11Å; L425-L455 HydrophobicContact CG-CD2 4.38Å
426K65.8Low62.7Low179 Ų17979 Ų7978%0.77845%0.446SS*.Hα-helixtrans-66.5-43.4172.6-73-175.8177.3-1800111.6V423 W424 A429 G430V423-K426 PolarHBondContact O-N 2.85Å; W424-K426 PolarHBondContact O-N 3.39Å; K426-A429 PolarHBondContact O-N 3.21Å; K426-G430 PolarHBondContact O-N 3.08Å
427Q63.9Low61Low81 Ų8180.5 Ų80.538%0.37945%0.454SS..Hα-helixtrans-64.7-47.5176.7-76.6-179.7-15.900111.4V423 W424 A429 G430 Y431V423-Q427 HydrophobicContact CG1-CG 4.06Å; V423-Q427 WeakPolarHBondContact O-CG 3.44Å; V423-Q427 PolarHBondContact O-N 3.47Å; W424-Q427 PolarHBondContact O-N 2.97Å; Q427-A429 VanDerWaalsContact C-N 3.32Å; Q427-A429 PolarHBondContact O-N 3.33Å; Q427-G430 WeakPolarHBondContact O-CA 3.48Å; Q427-G430 PolarHBondContact O-N 2.89Å; Q427-Y431 WeakPolarHBondContact O-CD2 3.38Å; Q427-Y431 PolarHBondContact O-N 3.41Å
428I64.2Low59.2Low7 Ų784.8 Ų84.84%0.03647%0.469CS..Hα-helixtrans-57.9-44.4176.6-68.6162.5000110.5V386 L390 A410 A411 A414 W424 G430 Y431 F432V386-I428 HydrophobicContact CG1-CD1 4.49Å; L390-I428 HydrophobicContact CD1-CG1 4.4Å; L390-I428 HydrophobicContact CD2-CG1 3.79Å; A410-I428 HydrophobicContact CB-CD1 4.41Å; A411-I428 HydrophobicContact CB-CG2 4.36Å; A414-I428 HydrophobicContact CB-CD1 4.06Å; W424-I428 WeakPolarHBondContact O-CB 3.42Å; W424-I428 WeakPolarHBondContact O-CD1 3.43Å; W424-I428 WeakPolarHBondContact O-CG1 3.38Å; W424-I428 PolarHBondContact O-N 2.87Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 3.44Å; I428-Y431 PolarHBondContact O-N 2.9Å; I428-F432 HydrophobicContact CG2-CD2 3.69Å; I428-F432 HydrophobicContact CG2-CE2 3.53Å; I428-F432 VanDerWaalsContact O-CD2 3.25Å; I428-F432 WeakPolarHBondContact O-CD2 3.35Å; I428-F432 PolarHBondContact O-N 3.45Å
429A63.1Low57.8Low52 Ų5288.1 Ų88.143%0.4351%0.508SS..Hα-helixtrans-61.4-37.8174.700000112.6L425 K426 Q427 F432 A433L425-A429 VanDerWaalsContact O-CB 3.29Å; L425-A429 WeakPolarHBondContact O-CB 3.46Å; L425-A429 PolarHBondContact O-N 2.9Å; K426-A429 PolarHBondContact O-N 3.21Å; Q427-A429 VanDerWaalsContact C-N 3.32Å; Q427-A429 PolarHBondContact O-N 3.33Å; A429-F432 PolarHBondContact O-N 3.18Å; A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.26Å
430G63.9Low56.8Low39 Ų3988.8 Ų88.840%0.40251%0.507SS..Hα-helixtrans-60.6-41.2172.500000113.2K426 Q427 I428 A433 T434K426-G430 PolarHBondContact O-N 3.08Å; Q427-G430 WeakPolarHBondContact O-CA 3.48Å; Q427-G430 PolarHBondContact O-N 2.89Å; I428-G430 VanDerWaalsContact C-N 3.31Å; I428-G430 PolarHBondContact O-N 3.44Å; G430-A433 PolarHBondContact O-N 2.59Å; G430-T434 PolarHBondContact O-N 2.87Å
431Y61.2Low56.2Low82 Ų8289 Ų8932%0.32251%0.506SS..Hα-helixtrans-72-32.6175.9-71.7-74.4000113.3L390 T393 W407 Q427 I428 A433 T434L390-Y431 HydrophobicContact CB-CE2 4.3Å; L390-Y431 HydrophobicContact CD2-CD2 3.58Å; L390-Y431 HydrophobicContact CD2-CE2 3.91Å; L390-Y431 HydrophobicContact CD2-CG 4.37Å; L390-Y431 HydrophobicContact CG-CE2 4.47Å; T393-Y431 HydrophobicContact CG2-CE1 3.92Å; W407-Y431 WeakPolarHBondContact CH2-O 3.47Å; W407-Y431 WeakPolarHBondContact CZ3-O 3.43Å; Q427-Y431 WeakPolarHBondContact O-CD2 3.38Å; Q427-Y431 PolarHBondContact O-N 3.41Å; I428-Y431 PolarHBondContact O-N 2.9Å; Y431-A433 VanDerWaalsContact C-N 3.29Å; Y431-T434 PolarHBondContact O-OG1 2.96Å
432F60.3Low55.8Low46 Ų4686.8 Ų86.820%0.20248%0.484CS..Hα-helixtrans-68-30.5170.1-82.2-72.1000112.2W407 I428 A429W407-F432 HydrophobicContact CB-CE1 4.28Å; W407-F432 HydrophobicContact CB-CE2 3.85Å; W407-F432 HydrophobicContact CB-CZ 3.58Å; W407-F432 HydrophobicContact CE3-CD1 4.06Å; W407-F432 AromaticContact CE3-CE1 4Å; W407-F432 HydrophobicContact CE3-CE1 4Å; W407-F432 HydrophobicContact CE3-CG 4.45Å; W407-F432 HydrophobicContact CE3-CZ 4.34Å; I428-F432 HydrophobicContact CG2-CD2 3.69Å; I428-F432 HydrophobicContact CG2-CE2 3.53Å; I428-F432 VanDerWaalsContact O-CD2 3.25Å; I428-F432 WeakPolarHBondContact O-CD2 3.35Å; I428-F432 PolarHBondContact O-N 3.45Å; A429-F432 PolarHBondContact O-N 3.18Å
433A57.6Low55.3Low68 Ų6889.1 Ų89.156%0.56249%0.488SS*.Hα-helixtrans-74.2-25178.500000113.8A429 G430 Y431 V435A429-A433 WeakPolarHBondContact O-CB 3.38Å; A429-A433 PolarHBondContact O-N 3.26Å; G430-A433 PolarHBondContact O-N 2.59Å; Y431-A433 VanDerWaalsContact C-N 3.29Å; A433-V435 VanDerWaalsContact C-N 3.31Å
434T57.4Low54.6Low88 Ų8890.1 Ų90.154%0.5449%0.489SS..THydrogen-bonded Turntrans-79-10.4178.251.20000113.8G430 Y431 Q436G430-T434 PolarHBondContact O-N 2.87Å; Y431-T434 PolarHBondContact O-OG1 2.96Å; T434-Q436 PolarHBondContact O-N 2.87Å
435V55.1Low53.9Low71 Ų7195.3 Ų95.343%0.4351%0.512SS..  trans-78.569.3170-171.50000109.7W407 A433 H437W407-V435 HydrophobicContact CH2-CG2 3.59Å; W407-V435 HydrophobicContact CZ3-CG2 3.37Å; A433-V435 VanDerWaalsContact C-N 3.31Å; V435-H437 PolarHBondContact O-N 3.31Å
436Q46.5Very low53.2Low176 Ų17698.7 Ų98.782%0.82253%0.53SS*.  trans-81.821.5178.7-87.5-166.4-22.100114.4T434T434-Q436 PolarHBondContact O-N 2.87Å
437H43.1Very low52.5Low155 Ų15593.6 Ų93.672%0.71851%0.51SS*.  trans-118.3124.4176-96-74.8000111.4V435V435-H437 PolarHBondContact O-N 3.31Å
438Y40.1Very low51.9Low198 Ų19894.8 Ų94.878%0.77652%0.515SS*.  trans91.476.3172.2-59.1-82.5000118.2Q440Y438-Q440 PolarHBondContact O-N 3.43Å
439G41.1Very low51.4Low90 Ų90101.4 Ų101.493%0.92854%0.543SS*.  49.33.199.900000122.2
440Q45.6Very low50.7Low139 Ų139101.5 Ų101.565%0.6553%0.534SS*.  trans-111.8113.4178.7-71.6-170.2-4.200111.2Y438 G442 Y443Y438-Q440 PolarHBondContact O-N 3.43Å; Q440-G442 PolarHBondContact O-N 3.29Å; Q440-Y443 PolarHBondContact O-N 3.18Å
441V45.1Very low50.3Low112 Ų112101.4 Ų101.468%0.67953%0.526SS*.Hα-helixtrans-46.5-18.9168.3-179.60000112.9K445V441-K445 PolarHBondContact O-N 3.03Å
442G45.5Very low49.7Very low36 Ų36107.6 Ų107.637%0.37155%0.548SS..Hα-helixtrans-70.2-35.6173.900000115.3Q440 K445 I446Q440-G442 PolarHBondContact O-N 3.29Å; G442-K445 WeakPolarHBondContact O-CB 3Å; G442-K445 PolarHBondContact O-N 2.91Å; G442-I446 WeakPolarHBondContact O-CG1 3.46Å; G442-I446 PolarHBondContact O-N 3.4Å; G442-I446 VanDerWaalsContact O-N 3.16Å
443Y48.9Very low49.2Very low94 Ų94114.3 Ų114.337%0.36957%0.572SS.*Hα-helixtrans-72.7-39.3-177.3-122.9-97.1000111.4E404 Q440 K445 I446 L447E404-Y443 WeakPolarHBondContact CG-OH 3.5Å; E404-Y443 PolarHBondContact OE2-OH 3.44Å; Q440-Y443 PolarHBondContact O-N 3.18Å; Y443-K445 VanDerWaalsContact C-N 3.3Å; Y443-K445 PolarHBondContact O-N 3.49Å; Y443-I446 PolarHBondContact O-N 3.5Å; Y443-L447 PolarHBondContact O-N 2.95Å
444I51Low48.8Very low115 Ų115117 Ų11759%0.5957%0.573SS**Hα-helixtrans-64.2-35.7172-64.2170.9000110.6I446 F448I444-I446 PolarHBondContact O-N 3.2Å; I444-F448 WeakPolarHBondContact O-CB 3.33Å; I444-F448 PolarHBondContact O-N 3.19Å
445K48.9Very low48.5Very low144 Ų144114.8 Ų114.863%0.62656%0.558SS**Hα-helixtrans-65.1-34.7173.7-85.4-179.6176.5178.60113.3V441 G442 Y443 K449V441-K445 PolarHBondContact O-N 3.03Å; G442-K445 WeakPolarHBondContact O-CB 3Å; G442-K445 PolarHBondContact O-N 2.91Å; Y443-K445 VanDerWaalsContact C-N 3.3Å; Y443-K445 PolarHBondContact O-N 3.49Å; K445-K449 WeakPolarHBondContact O-CB 3.27Å; K445-K449 PolarHBondContact O-N 2.98Å
446I48.2Very low48.1Very low101 Ų101114.8 Ų114.852%0.51857%0.572SS.*Hα-helixtrans-74.9-44.2178.7-65.6165.6000110G442 Y443 I444 F448 K449 F450G442-I446 WeakPolarHBondContact O-CG1 3.46Å; G442-I446 PolarHBondContact O-N 3.4Å; G442-I446 VanDerWaalsContact O-N 3.16Å; Y443-I446 PolarHBondContact O-N 3.5Å; I444-I446 PolarHBondContact O-N 3.2Å; I446-F448 VanDerWaalsContact C-N 3.32Å; I446-F448 PolarHBondContact O-N 2.94Å; I446-K449 PolarHBondContact O-N 3.33Å; I446-F450 VanDerWaalsContact O-CB 3.29Å; I446-F450 WeakPolarHBondContact O-CB 3.44Å; I446-F450 PolarHBondContact O-N 3.46Å
447L52.3Low48.1Very low71 Ų71110.5 Ų110.537%0.37256%0.555SS.*Hα-helixtrans-56.4-44.8169-100.8146.4000111.5Y443 K449 F450 V451Y443-L447 PolarHBondContact O-N 2.95Å; L447-K449 PolarHBondContact O-N 3.41Å; L447-F450 PolarHBondContact O-N 2.91Å; L447-V451 HydrophobicContact CD2-CG2 4.42Å; L447-V451 VanDerWaalsContact O-CB 3.3Å; L447-V451 WeakPolarHBondContact O-CB 3.41Å; L447-V451 WeakPolarHBondContact O-CG2 3.45Å; L447-V451 PolarHBondContact O-N 3Å
448F50.4Low48.1Very low107 Ų107112 Ų11247%0.46956%0.562SS.*Hα-helixtrans-62-44.2176.1-163.7-90.1000111.6I444 I446 F450 W452 F461I444-F448 WeakPolarHBondContact O-CB 3.33Å; I444-F448 PolarHBondContact O-N 3.19Å; I446-F448 VanDerWaalsContact C-N 3.32Å; I446-F448 PolarHBondContact O-N 2.94Å; F448-F450 VanDerWaalsContact C-N 3.32Å; F448-F450 PolarHBondContact O-N 3.25Å; F448-W452 WeakPolarHBondContact O-CB 3.43Å; F448-W452 PolarHBondContact O-N 3.22Å; F448-F461 HydrophobicContact CD2-CE1 4.15Å; F448-F461 HydrophobicContact CD2-CE2 4.46Å; F448-F461 AromaticContact CD2-CZ 3.66Å; F448-F461 HydrophobicContact CD2-CZ 3.66Å; F448-F461 HydrophobicContact CE2-CE1 4.29Å; F448-F461 AromaticContact CE2-CZ 4Å; F448-F461 HydrophobicContact CE2-CZ 4Å
449K53.6Low48.3Very low146 Ų146109.2 Ų109.264%0.63556%0.559SS**Hα-helixtrans-68.1-30.9177.1-131.8176.5-174.3178.20112.8K445 I446 L447 R453K445-K449 WeakPolarHBondContact O-CB 3.27Å; K445-K449 PolarHBondContact O-N 2.98Å; I446-K449 PolarHBondContact O-N 3.33Å; L447-K449 PolarHBondContact O-N 3.41Å; K449-R453 WeakPolarHBondContact O-CB 3.28Å; K449-R453 PolarHBondContact O-N 3.06Å
450F49.1Very low48.3Very low54 Ų54112.1 Ų112.124%0.23755%0.553CS.*Hα-helixtrans-79.5-47.2-179.2-168.3-96.3000111.3A411 I446 L447 F448 R453 H454 L455A411-F450 HydrophobicContact CB-CE1 4.28Å; A411-F450 HydrophobicContact CB-CZ 3.95Å; I446-F450 VanDerWaalsContact O-CB 3.29Å; I446-F450 WeakPolarHBondContact O-CB 3.44Å; I446-F450 PolarHBondContact O-N 3.46Å; L447-F450 PolarHBondContact O-N 2.91Å; F448-F450 VanDerWaalsContact C-N 3.32Å; F448-F450 PolarHBondContact O-N 3.25Å; F450-R453 PolarHBondContact O-N 2.83Å; F450-H454 WeakPolarHBondContact O-CB 3.3Å; F450-H454 PolarHBondContact O-N 3.23Å; F450-H454 VanDerWaalsContact O-N 3.09Å; F450-L455 HydrophobicContact CD1-CD1 4.42Å; F450-L455 HydrophobicContact CE1-CD1 4.4Å
451V54.5Low48.2Very low37 Ų37111.9 Ų111.922%0.22455%0.549CS..Hα-helixtrans-68-42.7178.7175.70000111.3L447 R453 L455L447-V451 HydrophobicContact CD2-CG2 4.42Å; L447-V451 VanDerWaalsContact O-CB 3.3Å; L447-V451 WeakPolarHBondContact O-CB 3.41Å; L447-V451 WeakPolarHBondContact O-CG2 3.45Å; L447-V451 PolarHBondContact O-N 3Å; V451-R453 PolarHBondContact O-N 3.39Å; V451-L455 HydrophobicContact CG2-CD1 4.39Å; V451-L455 WeakPolarHBondContact O-CB 3.37Å; V451-L455 PolarHBondContact O-N 3.01Å
452W49.6Very low48.3Very low211 Ų211110.2 Ų110.280%0.79954%0.542SS*.Hα-helixtrans-70.7-30.4179-163.652.1000113.2F448F448-W452 WeakPolarHBondContact O-CB 3.43Å; F448-W452 PolarHBondContact O-N 3.22Å
453R50.6Low48.2Very low187 Ų187112.2 Ų112.271%0.70655%0.549SS*.Hα-helixtrans-91.4-26.3-175.1-165.4174.6-173.6168.71.7114.4K449 F450 V451K449-R453 WeakPolarHBondContact O-CB 3.28Å; K449-R453 PolarHBondContact O-N 3.06Å; F450-R453 PolarHBondContact O-N 2.83Å; V451-R453 PolarHBondContact O-N 3.39Å
454H48.9Very low48Very low124 Ų124114.7 Ų114.757%0.57457%0.567SS**Hα-helixtrans-125.5-16.9-169.6-70-69.4000115.3F450F450-H454 WeakPolarHBondContact O-CB 3.3Å; F450-H454 PolarHBondContact O-N 3.23Å; F450-H454 VanDerWaalsContact O-N 3.09Å
455L49.4Very low47.9Very low43 Ų43116.5 Ų116.523%0.22557%0.571CS.*THydrogen-bonded Turntrans-114.6-16.5-169.7-84.7155.4000114.6L425 F450 V451 L457L425-L455 HydrophobicContact CD1-CD2 3.7Å; L425-L455 HydrophobicContact CD2-CD2 4.11Å; L425-L455 HydrophobicContact CG-CD2 4.38Å; F450-L455 HydrophobicContact CD1-CD1 4.42Å; F450-L455 HydrophobicContact CE1-CD1 4.4Å; V451-L455 HydrophobicContact CG2-CD1 4.39Å; V451-L455 WeakPolarHBondContact O-CB 3.37Å; V451-L455 PolarHBondContact O-N 3.01Å; L455-L457 HydrophobicContact CB-CB 4.39Å; L455-L457 HydrophobicContact CB-CD1 4.01Å; L455-L457 HydrophobicContact CD2-CD1 3.71Å; L455-L457 HydrophobicContact CG-CD1 4.43Å; L455-L457 VanDerWaalsContact O-CG 3.23Å; L455-L457 WeakPolarHBondContact O-CG 3.36Å; L455-L457 PolarHBondContact O-N 3.36Å
456G48Very low47.8Very low71 Ų71111.4 Ų111.473%0.73255%0.55SS**  trans5320.1175.100000114.4
457L46Very low47.7Very low86 Ų86114.7 Ų114.745%0.4556%0.557SS.*  trans-101.694.4-167.8-88.1157.5000108.5L455 I459L455-L457 HydrophobicContact CB-CB 4.39Å; L455-L457 HydrophobicContact CB-CD1 4.01Å; L455-L457 HydrophobicContact CD2-CD1 3.71Å; L455-L457 HydrophobicContact CG-CD1 4.43Å; L455-L457 VanDerWaalsContact O-CG 3.23Å; L455-L457 WeakPolarHBondContact O-CG 3.36Å; L455-L457 PolarHBondContact O-N 3.36Å; L457-I459 HydrophobicContact CD2-CD1 4.23Å; L457-I459 PolarHBondContact O-N 3.49Å
458E43.8Very low47.6Very low186 Ų186115.7 Ų115.787%0.86957%0.569SS**THydrogen-bonded Turntrans-66.3-4.5174.9-68.2173.3158.600113.3L460E458-L460 PolarHBondContact O-N 3.26Å
459I44.8Very low47.3Very low140 Ų140114.3 Ų114.372%0.71857%0.573SS**THydrogen-bonded Turntrans-96.65.2-153.3-56.4173.3000114L457L457-I459 HydrophobicContact CD2-CD1 4.23Å; L457-I459 PolarHBondContact O-N 3.49Å
460L39.9Very low47Very low151 Ų151108.4 Ų108.479%0.79155%0.552SS**  trans-135.936.4-168.3-100.2157.2000115.8E458E458-L460 PolarHBondContact O-N 3.26Å
461F43.1Very low47.2Very low133 Ų133109.7 Ų109.758%0.58358%0.58SS**  trans-112.2132.1175.1-91-86.1000114.7F448F448-F461 HydrophobicContact CD2-CE1 4.15Å; F448-F461 HydrophobicContact CD2-CE2 4.46Å; F448-F461 AromaticContact CD2-CZ 3.66Å; F448-F461 HydrophobicContact CD2-CZ 3.66Å; F448-F461 HydrophobicContact CE2-CE1 4.29Å; F448-F461 AromaticContact CE2-CZ 4Å; F448-F461 HydrophobicContact CE2-CZ 4Å
462C47.8Very low47.6Very low78 Ų78110 Ų11053%0.52758%0.584SS.*  trans-70.9126.1-169.3-160.80000113L464 F465C462-L464 PolarHBondContact O-N 3.26Å; C462-F465 PolarHBondContact O-N 3.38Å
463P43.6Very low48.5Very low78 Ų78101.7 Ų101.751%0.50656%0.556SS.*Hα-helixtrans-56.7-20.7179.1-26.233.2000115.2F465P463-F465 VanDerWaalsContact C-N 3.31Å; P463-F465 PolarHBondContact O-N 3.08Å
464L44.6Very low49.5Very low145 Ų14597.4 Ų97.476%0.75954%0.543SS*.Hα-helixtrans-67.9-24.2-179.7-84.7153.5000114.1C462C462-L464 PolarHBondContact O-N 3.26Å
465F48.1Very low50.5Low153 Ų15396.7 Ų96.767%0.67154%0.54SS*.Hα-helixtrans-93.9-23.9-177-155.6-95.5000113.4C462 P463 S468 S469C462-F465 PolarHBondContact O-N 3.38Å; P463-F465 VanDerWaalsContact C-N 3.31Å; P463-F465 PolarHBondContact O-N 3.08Å; F465-S468 PolarHBondContact O-OG 2.94Å; F465-S469 PolarHBondContact O-OG 3.48Å
466L48.4Very low51.4Low37 Ų3794.9 Ų94.919%0.19453%0.531CS..Hα-helixtrans-69.3-36.4173.5-86.7156.1000111.8S468 L479 F480L466-S468 VanDerWaalsContact C-N 3.27Å; L466-S468 PolarHBondContact O-N 3.38Å; L466-L479 HydrophobicContact CD2-CB 3.87Å; L466-L479 HydrophobicContact CD2-CD1 3.76Å; L466-L479 HydrophobicContact CD2-CG 4.36Å; L466-F480 HydrophobicContact CB-CE1 4.09Å; L466-F480 HydrophobicContact CB-CZ 3.99Å; L466-F480 HydrophobicContact CD1-CD1 4.32Å; L466-F480 HydrophobicContact CD1-CE1 3.91Å
467R45.5Very low52.5Low171 Ų17191.7 Ų91.765%0.64550%0.498SS*.Hα-helixtrans-63.2-23.7178-98-176.4176.4175.41.5115.2
468S49.8Very low53.8Low92 Ų9293 Ų9364%0.64350%0.502SS*.Hα-helixtrans-102.7-13.3-174.466.70000114.5F465 L466F465-S468 PolarHBondContact O-OG 2.94Å; L466-S468 VanDerWaalsContact C-N 3.27Å; L466-S468 PolarHBondContact O-N 3.38Å
469S45.2Very low55Low77 Ų7787.3 Ų87.354%0.53848%0.477SS..Hα-helixtrans-108.7-19-172.355.20000114.4F465F465-S469 PolarHBondContact O-OG 3.48Å
470A46.8Very low56.4Low23 Ų2381.1 Ų81.119%0.1945%0.445CS..  trans-87109.2174.900000110.3S472 Q475 A476A470-S472 PolarHBondContact O-N 3.32Å; A470-Q475 HydrophobicContact CB-CB 4.42Å; A470-A476 HydrophobicContact CB-CB 3.76Å
471G52.7Low58.1Low81 Ų8175.4 Ų75.484%0.83542%0.415SS*.SBendtrans-71.7-1.1179.400000115
472S63.8Low59.6Low43 Ų4375.6 Ų75.630%0.30142%0.417SS..SBendtrans-139.6133.7177176.10000109.3A470 F474 Q475 A476A470-S472 PolarHBondContact O-N 3.32Å; S472-F474 PolarHBondContact O-N 2.89Å; S472-Q475 WeakPolarHBondContact O-CB 3.43Å; S472-Q475 PolarHBondContact O-N 3.11Å; S472-A476 PolarHBondContact O-N 3.34Å
473V68.6Low60.5Low36 Ų3675.5 Ų75.522%0.21842%0.417CS..Hα-helixtrans-57.4-33.6178.1174.80000111.4A476 A477 C492 L493 D496V473-A476 WeakPolarHBondContact O-CB 3.45Å; V473-A476 PolarHBondContact O-N 3.14Å; V473-A477 WeakPolarHBondContact O-CB 3.26Å; V473-A477 PolarHBondContact O-N 2.79Å; V473-C492 HydrophobicContact CG1-CB 4.49Å; V473-C492 WeakPolarHBondContact CG1-O 3.22Å; V473-L493 HydrophobicContact CG1-CD2 4.21Å; V473-D496 HydrophobicContact CB-CB 4.41Å; V473-D496 HydrophobicContact CG1-CB 4.03Å; V473-D496 HydrophobicContact CG2-CB 4.02Å; V473-D496 VanDerWaalsContact CG2-OD2 3.23Å; V473-D496 WeakPolarHBondContact CG2-OD2 3.38Å
474F70.2Confident62Low98 Ų9878.2 Ų78.243%0.4343%0.427SS..Hα-helixtrans-61.5-46173.3-71.1-82.3000113S472 A476 A477 E478 E501S472-F474 PolarHBondContact O-N 2.89Å; F474-A476 VanDerWaalsContact C-N 3.29Å; F474-A476 PolarHBondContact O-N 3.29Å; F474-A477 PolarHBondContact O-N 2.96Å; F474-E478 WeakPolarHBondContact O-CB 3.27Å; F474-E478 PolarHBondContact O-N 2.95Å; F474-E501 WeakPolarHBondContact CE1-OE1 3.45Å; F474-E501 WeakPolarHBondContact CE1-OE2 3.49Å; F474-E501 VanDerWaalsContact CZ-CD 3.4Å; F474-E501 WeakPolarHBondContact CZ-OE1 2.97Å; F474-E501 WeakPolarHBondContact CZ-OE2 3.5Å
475Q71.4Confident63.5Low108 Ų10876 Ų7651%0.50541%0.413SS..Hα-helixtrans-66.4-37.4178.4-68.3175.6-9.800110.6A470 S472 L479A470-Q475 HydrophobicContact CB-CB 4.42Å; S472-Q475 WeakPolarHBondContact O-CB 3.43Å; S472-Q475 PolarHBondContact O-N 3.11Å; Q475-L479 WeakPolarHBondContact O-CB 3.34Å; Q475-L479 WeakPolarHBondContact O-CD1 3.4Å; Q475-L479 WeakPolarHBondContact O-CG 3.27Å; Q475-L479 PolarHBondContact O-N 3.43Å
476A67.2Low65Low5 Ų570.1 Ų70.14%0.04139%0.39CS..Hα-helixtrans-62.8-47.317400000111.3A470 S472 V473 F474 L479 F480A470-A476 HydrophobicContact CB-CB 3.76Å; S472-A476 PolarHBondContact O-N 3.34Å; V473-A476 WeakPolarHBondContact O-CB 3.45Å; V473-A476 PolarHBondContact O-N 3.14Å; F474-A476 VanDerWaalsContact C-N 3.29Å; F474-A476 PolarHBondContact O-N 3.29Å; A476-L479 PolarHBondContact O-N 2.98Å; A476-F480 HydrophobicContact CB-CE2 4.4Å; A476-F480 WeakPolarHBondContact O-CD2 3.32Å; A476-F480 WeakPolarHBondContact O-CG 3.3Å; A476-F480 PolarHBondContact O-N 3.44Å
477A71.1Confident66.6Low5 Ų573.5 Ų73.54%0.04140%0.403CS..Hα-helixtrans-63.1-43.3177.800000111.9V473 F474 L479 F480 L481 A489 L493V473-A477 WeakPolarHBondContact O-CB 3.26Å; V473-A477 PolarHBondContact O-N 2.79Å; F474-A477 PolarHBondContact O-N 2.96Å; A477-L479 VanDerWaalsContact C-N 3.34Å; A477-L479 PolarHBondContact O-N 3.25Å; A477-F480 PolarHBondContact O-N 2.97Å; A477-L481 VanDerWaalsContact O-CG 3.28Å; A477-L481 WeakPolarHBondContact O-CG 3.42Å; A477-L481 PolarHBondContact O-N 3.35Å; A477-A489 HydrophobicContact CB-CB 4.19Å; A477-A489 WeakPolarHBondContact O-CB 3.39Å; A477-L493 HydrophobicContact CB-CD1 4.23Å; A477-L493 HydrophobicContact CB-CD2 4.22Å; A477-L493 HydrophobicContact CB-CG 3.99Å
478E73.1Confident68.2Low114 Ų11468.1 Ų68.153%0.53339%0.385SS..Hα-helixtrans-62.7-40.1176.2-168.7179.1-175.100111.6F474 L481 Q482F474-E478 WeakPolarHBondContact O-CB 3.27Å; F474-E478 PolarHBondContact O-N 2.95Å; E478-L481 PolarHBondContact O-N 3.04Å; E478-Q482 VanDerWaalsContact O-CG 3.29Å; E478-Q482 WeakPolarHBondContact O-CG 3.13Å; E478-Q482 PolarHBondContact O-N 3.35Å
479L69.4Low69.6Low65 Ų6563.8 Ų63.834%0.3436%0.355SS..Hα-helixtrans-65.2-41173.8-71.9167.5000111.9L466 Q475 A476 A477 L481 Q482 C483L466-L479 HydrophobicContact CD2-CB 3.87Å; L466-L479 HydrophobicContact CD2-CD1 3.76Å; L466-L479 HydrophobicContact CD2-CG 4.36Å; Q475-L479 WeakPolarHBondContact O-CB 3.34Å; Q475-L479 WeakPolarHBondContact O-CD1 3.4Å; Q475-L479 WeakPolarHBondContact O-CG 3.27Å; Q475-L479 PolarHBondContact O-N 3.43Å; A476-L479 PolarHBondContact O-N 2.98Å; A477-L479 VanDerWaalsContact C-N 3.34Å; A477-L479 PolarHBondContact O-N 3.25Å; L479-L481 VanDerWaalsContact C-N 3.33Å; L479-Q482 PolarHBondContact O-N 2.88Å; L479-C483 PolarHBondContact O-N 3.27Å; L479-C483 PolarHBondContact O-SG 3.12Å
480F73.7Confident71.4Confident11 Ų1160.1 Ų60.15%0.04833%0.329CS..Hα-helixtrans-64.1-38.9174.3-73.3-54.3000112L466 A476 A477 C483 N484 E485 E488 A489 C492L466-F480 HydrophobicContact CB-CE1 4.09Å; L466-F480 HydrophobicContact CB-CZ 3.99Å; L466-F480 HydrophobicContact CD1-CD1 4.32Å; L466-F480 HydrophobicContact CD1-CE1 3.91Å; A476-F480 HydrophobicContact CB-CE2 4.4Å; A476-F480 WeakPolarHBondContact O-CD2 3.32Å; A476-F480 WeakPolarHBondContact O-CG 3.3Å; A476-F480 PolarHBondContact O-N 3.44Å; A477-F480 PolarHBondContact O-N 2.97Å; F480-C483 CarbonylContact O-C 3.59Å; F480-C483 PolarHBondContact O-N 2.96Å; F480-N484 PolarHBondContact O-N 2.99Å; F480-E485 PolarHBondContact O-N 3.31Å; F480-E488 HydrophobicContact CB-CB 4.29Å; F480-E488 HydrophobicContact CD1-CB 3.69Å; F480-E488 HydrophobicContact CD1-CG 4.46Å; F480-E488 HydrophobicContact CD2-CB 4.18Å; F480-E488 HydrophobicContact CE1-CB 4Å; F480-E488 HydrophobicContact CE1-CG 4.5Å; F480-E488 HydrophobicContact CE2-CB 4.47Å; F480-E488 HydrophobicContact CG-CB 3.81Å; F480-E488 HydrophobicContact CZ-CB 4.39Å; F480-A489 HydrophobicContact CB-CB 3.75Å; F480-C492 HydrophobicContact CD2-CB 4.41Å; F480-C492 HydrophobicContact CE2-CB 4.36Å
481L75.4Confident73Confident31 Ų3160.6 Ų60.616%0.16233%0.328CS..Hα-helixtrans-65.1-39.5173.8-69.6171.3000112.2A477 E478 L479 C483 N484 P486 A489 V505 Y509A477-L481 VanDerWaalsContact O-CG 3.28Å; A477-L481 WeakPolarHBondContact O-CG 3.42Å; A477-L481 PolarHBondContact O-N 3.35Å; E478-L481 PolarHBondContact O-N 3.04Å; L479-L481 VanDerWaalsContact C-N 3.33Å; L481-C483 VanDerWaalsContact C-N 3.27Å; L481-C483 PolarHBondContact O-N 2.96Å; L481-N484 PolarHBondContact O-N 3.49Å; L481-N484 VanDerWaalsContact O-N 3.1Å; L481-P486 HydrophobicContact CD2-CB 4.18Å; L481-A489 HydrophobicContact CD2-CB 3.96Å; L481-A489 HydrophobicContact CG-CB 3.79Å; L481-V505 HydrophobicContact CD1-CG1 3.93Å; L481-V505 HydrophobicContact CD1-CG2 4.27Å; L481-V505 HydrophobicContact CD2-CG1 3.67Å; L481-V505 HydrophobicContact CG-CG1 4.27Å; L481-Y509 HydrophobicContact CD1-CD2 4.27Å; L481-Y509 HydrophobicContact CD1-CE2 3.93Å; L481-Y509 HydrophobicContact CD2-CD1 4.07Å; L481-Y509 HydrophobicContact CD2-CD2 3.72Å; L481-Y509 HydrophobicContact CD2-CE1 4.43Å; L481-Y509 HydrophobicContact CD2-CE2 4.11Å; L481-Y509 HydrophobicContact CD2-CG 3.7Å
482Q74.7Confident74.3Confident136 Ų13657.6 Ų57.664%0.63629%0.294SS*.Hα-helixtrans-64.7-31.7173.3-73.3173.610.600112.4E478 L479 N484E478-Q482 VanDerWaalsContact O-CG 3.29Å; E478-Q482 WeakPolarHBondContact O-CG 3.13Å; E478-Q482 PolarHBondContact O-N 3.35Å; L479-Q482 PolarHBondContact O-N 2.88Å; Q482-N484 PolarHBondContact O-N 3.35Å
483C68.1Low75.1Confident76 Ų7655.7 Ų55.751%0.51428%0.281SS..THydrogen-bonded Turntrans-79.54.3173.7-66.30000114L479 F480 L481 E485L479-C483 PolarHBondContact O-N 3.27Å; L479-C483 PolarHBondContact O-SG 3.12Å; F480-C483 CarbonylContact O-C 3.59Å; F480-C483 PolarHBondContact O-N 2.96Å; L481-C483 VanDerWaalsContact C-N 3.27Å; L481-C483 PolarHBondContact O-N 2.96Å; C483-E485 PolarHBondContact O-N 2.89Å
484N73.6Confident75.8Confident136 Ų13654.3 Ų54.373%0.72727%0.272SS*.THydrogen-bonded Turntrans58.731.1-175.9-16248.8000114.1F480 L481 Q482 P486F480-N484 PolarHBondContact O-N 2.99Å; L481-N484 PolarHBondContact O-N 3.49Å; L481-N484 VanDerWaalsContact O-N 3.1Å; Q482-N484 PolarHBondContact O-N 3.35Å; N484-P486 WeakPolarHBondContact O-CD 3.46Å
485E76.5Confident76.2Confident99 Ų9953.9 Ų53.946%0.46328%0.275SS..  trans-11472.7177-69.7-69.3-172.600109.4F480 C483 K487 E488 A489F480-E485 PolarHBondContact O-N 3.31Å; C483-E485 PolarHBondContact O-N 2.89Å; E485-K487 PolarHBondContact O-N 3.24Å; E485-E488 HydrophobicContact CB-CB 4.33Å; E485-E488 HydrophobicContact CB-CG 4.42Å; E485-E488 WeakPolarHBondContact CB-OE2 3.37Å; E485-E488 PolarHBondContact O-N 2.88Å; E485-A489 PolarHBondContact O-N 3.44Å
486P78.9Confident76.4Confident28 Ų2852.9 Ų52.918%0.18227%0.272CS..Hα-helixtrans-67.1-24.4-174.427.3-35.1000112.7L481 N484 A489 V490 A510L481-P486 HydrophobicContact CD2-CB 4.18Å; N484-P486 WeakPolarHBondContact O-CD 3.46Å; P486-A489 PolarHBondContact O-N 3.44Å; P486-V490 WeakPolarHBondContact O-CB 3.3Å; P486-V490 VanDerWaalsContact O-CG2 3.28Å; P486-V490 WeakPolarHBondContact O-CG2 3.21Å; P486-V490 PolarHBondContact O-N 3.02Å; P486-A510 HydrophobicContact CB-CB 3.77Å; P486-A510 HydrophobicContact CG-CB 3.71Å
487K83.3Confident76.7Confident108 Ų10855.3 Ų55.347%0.4729%0.289SS..Hα-helixtrans-67.6-43.5179.6-176.9-178177.9-176.40111.5E485 A489 V490 D491 L513E485-K487 PolarHBondContact O-N 3.24Å; K487-A489 VanDerWaalsContact C-N 3.33Å; K487-V490 PolarHBondContact O-N 3.43Å; K487-D491 WeakPolarHBondContact O-CB 3.29Å; K487-D491 PolarHBondContact O-N 2.96Å; K487-L513 HydrophobicContact CB-CD1 4.08Å; K487-L513 HydrophobicContact CB-CD2 4.42Å; K487-L513 HydrophobicContact CG-CD2 4.19Å
488E79.5Confident77.2Confident59 Ų5957.5 Ų57.528%0.27630%0.3SS..Hα-helixtrans-68.1-36.7178.6-73.566.9-161.900110.6F480 E485 D491 C492F480-E488 HydrophobicContact CB-CB 4.29Å; F480-E488 HydrophobicContact CD1-CB 3.69Å; F480-E488 HydrophobicContact CD1-CG 4.46Å; F480-E488 HydrophobicContact CD2-CB 4.18Å; F480-E488 HydrophobicContact CE1-CB 4Å; F480-E488 HydrophobicContact CE1-CG 4.5Å; F480-E488 HydrophobicContact CE2-CB 4.47Å; F480-E488 HydrophobicContact CG-CB 3.81Å; F480-E488 HydrophobicContact CZ-CB 4.39Å; E485-E488 HydrophobicContact CB-CB 4.33Å; E485-E488 HydrophobicContact CB-CG 4.42Å; E485-E488 WeakPolarHBondContact CB-OE2 3.37Å; E485-E488 PolarHBondContact O-N 2.88Å; E488-D491 PolarHBondContact O-N 3.26Å; E488-C492 WeakPolarHBondContact O-CB 3.24Å; E488-C492 PolarHBondContact O-N 3.26Å
489A79Confident77.6Confident0 Ų053 Ų530%028%0.279CS..Hα-helixtrans-61.7-50.3172.500000111.5A477 F480 L481 E485 P486 K487 D491 C492 L493 V505A477-A489 HydrophobicContact CB-CB 4.19Å; A477-A489 WeakPolarHBondContact O-CB 3.39Å; F480-A489 HydrophobicContact CB-CB 3.75Å; L481-A489 HydrophobicContact CD2-CB 3.96Å; L481-A489 HydrophobicContact CG-CB 3.79Å; E485-A489 PolarHBondContact O-N 3.44Å; P486-A489 PolarHBondContact O-N 3.44Å; K487-A489 VanDerWaalsContact C-N 3.33Å; A489-D491 VanDerWaalsContact C-N 3.35Å; A489-D491 PolarHBondContact O-N 2.78Å; A489-C492 WeakPolarHBondContact O-CB 3.24Å; A489-C492 PolarHBondContact O-N 3.34Å; A489-L493 PolarHBondContact O-N 2.99Å; A489-L493 VanDerWaalsContact O-N 3.07Å; A489-V505 HydrophobicContact CB-CG1 4.49Å
490V82.3Confident78.2Confident0 Ų057.7 Ų57.70%030%0.299CS..Hα-helixtrans-60.2-43.7176.7163.60000111P486 K487 C492 L493 M494 A502 V505 A506 L513 I517P486-V490 WeakPolarHBondContact O-CB 3.3Å; P486-V490 VanDerWaalsContact O-CG2 3.28Å; P486-V490 WeakPolarHBondContact O-CG2 3.21Å; P486-V490 PolarHBondContact O-N 3.02Å; K487-V490 PolarHBondContact O-N 3.43Å; V490-C492 VanDerWaalsContact C-N 3.32Å; V490-C492 PolarHBondContact O-N 2.84Å; V490-L493 PolarHBondContact O-N 2.86Å; V490-M494 HydrophobicContact CG1-CE 3.47Å; V490-M494 VanDerWaalsContact CG1-CE 3.47Å; V490-M494 HydrophobicContact CG1-CG 4.4Å; V490-M494 HydrophobicContact CG1-SD 4.12Å; V490-M494 WeakPolarHBondContact O-CB 3.45Å; V490-M494 VanDerWaalsContact O-CG 3.3Å; V490-M494 WeakPolarHBondContact O-CG 3.46Å; V490-M494 PolarHBondContact O-N 3.46Å; V490-A502 HydrophobicContact CG1-CB 4.44Å; V490-V505 HydrophobicContact CG2-CB 4.42Å; V490-V505 HydrophobicContact CG2-CG1 3.99Å; V490-A506 HydrophobicContact CG2-CB 4.31Å; V490-L513 HydrophobicContact CB-CD1 4.28Å; V490-L513 HydrophobicContact CG2-CD1 4.04Å; V490-I517 HydrophobicContact CG1-CD1 3.7Å; V490-I517 HydrophobicContact CG1-CG1 3.59Å; V490-I517 HydrophobicContact CG2-CD1 4.36Å
491D81.5Confident78.5Confident33 Ų3360.1 Ų60.118%0.17631%0.311CS..Hα-helixtrans-64.1-35.9176.1-86.1-27.7000113K487 E488 A489 M494 N495 Y516 R520K487-D491 WeakPolarHBondContact O-CB 3.29Å; K487-D491 PolarHBondContact O-N 2.96Å; E488-D491 PolarHBondContact O-N 3.26Å; A489-D491 VanDerWaalsContact C-N 3.35Å; A489-D491 PolarHBondContact O-N 2.78Å; D491-M494 WeakPolarHBondContact OD1-CE 3.24Å; D491-N495 PolarHBondContact O-N 2.88Å; D491-N495 VanDerWaalsContact O-N 3.12Å; D491-N495 PolarHBondContact O-ND2 2.78Å; D491-Y516 WeakPolarHBondContact OD1-CE1 3.12Å; D491-Y516 PolarHBondContact OD1-OH 3.04Å; D491-R520 IonicContact OD1-NH1 2.59Å; D491-R520 PolarHBondContact OD1-NH1 2.95Å
492C79.4Confident78.8Confident18 Ų1858.6 Ų58.612%0.12230%0.303CS..Hα-helixtrans-63.6-46.2175.5-154.30000111.2V473 F480 E488 A489 V490 N495V473-C492 HydrophobicContact CG1-CB 4.49Å; V473-C492 WeakPolarHBondContact CG1-O 3.22Å; F480-C492 HydrophobicContact CD2-CB 4.41Å; F480-C492 HydrophobicContact CE2-CB 4.36Å; E488-C492 WeakPolarHBondContact O-CB 3.24Å; E488-C492 PolarHBondContact O-N 3.26Å; A489-C492 WeakPolarHBondContact O-CB 3.24Å; A489-C492 PolarHBondContact O-N 3.34Å; V490-C492 VanDerWaalsContact C-N 3.32Å; V490-C492 PolarHBondContact O-N 2.84Å; C492-N495 PolarHBondContact O-N 3.44Å
493L80.7Confident79.2Confident4 Ų457.5 Ų57.52%0.02130%0.296CS..Hα-helixtrans-66.3-41177.7-68.6168.2000112.5V473 A477 A489 V490 N495 D496 S497 N498 E501 A502 V505V473-L493 HydrophobicContact CG1-CD2 4.21Å; A477-L493 HydrophobicContact CB-CD1 4.23Å; A477-L493 HydrophobicContact CB-CD2 4.22Å; A477-L493 HydrophobicContact CB-CG 3.99Å; A489-L493 PolarHBondContact O-N 2.99Å; A489-L493 VanDerWaalsContact O-N 3.07Å; V490-L493 PolarHBondContact O-N 2.86Å; L493-N495 VanDerWaalsContact C-N 3.33Å; L493-N495 PolarHBondContact O-N 3.38Å; L493-D496 PolarHBondContact O-N 3.13Å; L493-S497 PolarHBondContact O-N 2.84Å; L493-N498 PolarHBondContact O-N 3.48Å; L493-N498 VanDerWaalsContact O-N 3.13Å; L493-E501 HydrophobicContact CD1-CB 4.35Å; L493-E501 HydrophobicContact CD2-CB 4.41Å; L493-A502 HydrophobicContact CB-CB 3.92Å; L493-A502 HydrophobicContact CD1-CB 4.43Å; L493-V505 HydrophobicContact CD1-CB 4.3Å; L493-V505 HydrophobicContact CD1-CG2 3.78Å
494M81.9Confident79.9Confident6 Ų659.9 Ų59.93%0.0330%0.299CS..Hα-helixtrans-67.1-32.1179.3-73.6-168.5-63.900113.2V490 D491 D496 S497 F499 A502 Y516 I517 R520V490-M494 HydrophobicContact CG1-CE 3.47Å; V490-M494 VanDerWaalsContact CG1-CE 3.47Å; V490-M494 HydrophobicContact CG1-CG 4.4Å; V490-M494 HydrophobicContact CG1-SD 4.12Å; V490-M494 WeakPolarHBondContact O-CB 3.45Å; V490-M494 VanDerWaalsContact O-CG 3.3Å; V490-M494 WeakPolarHBondContact O-CG 3.46Å; V490-M494 PolarHBondContact O-N 3.46Å; D491-M494 WeakPolarHBondContact OD1-CE 3.24Å; M494-D496 PolarHBondContact O-N 3.29Å; M494-S497 PolarHBondContact O-N 3.24Å; M494-F499 HydrophobicContact CB-CE1 4.25Å; M494-F499 HydrophobicContact CG-CD1 4.04Å; M494-F499 HydrophobicContact CG-CE1 4.02Å; M494-F499 HydrophobicContact SD-CD1 4.47Å; M494-F499 HydrophobicContact SD-CE1 4.31Å; M494-A502 HydrophobicContact CG-CB 3.89Å; M494-Y516 HydrophobicContact CE-CD1 3.75Å; M494-Y516 HydrophobicContact CE-CE1 3.26Å; M494-I517 HydrophobicContact CE-CG1 4.44Å; M494-I517 HydrophobicContact SD-CB 4.19Å; M494-I517 HydrophobicContact SD-CG1 3.81Å; M494-I517 HydrophobicContact SD-CG2 4.24Å; M494-R520 HydrophobicContact SD-CB 4Å; M494-R520 WeakPolarHBondContact SD-CD 3.45Å; M494-R520 HydrophobicContact SD-CG 4.29Å
495N80Confident80.4Confident90 Ų9054.4 Ų54.448%0.48127%0.271SS..Hα-helixtrans-66.4-28.5175.6-73.5-37.9000112.4D491 C492 L493 S497 R520D491-N495 PolarHBondContact O-N 2.88Å; D491-N495 VanDerWaalsContact O-N 3.12Å; D491-N495 PolarHBondContact O-ND2 2.78Å; C492-N495 PolarHBondContact O-N 3.44Å; L493-N495 VanDerWaalsContact C-N 3.33Å; L493-N495 PolarHBondContact O-N 3.38Å; N495-S497 VanDerWaalsContact C-N 3.32Å; N495-R520 PolarHBondContact OD1-NH2 2.88Å
496D75Confident80.7Confident86 Ų8649.7 Ų49.746%0.4625%0.249SC..THydrogen-bonded Turntrans-93.613.1179.5-148.323.4000112.9V473 L493 M494 N498V473-D496 HydrophobicContact CB-CB 4.41Å; V473-D496 HydrophobicContact CG1-CB 4.03Å; V473-D496 HydrophobicContact CG2-CB 4.02Å; V473-D496 VanDerWaalsContact CG2-OD2 3.23Å; V473-D496 WeakPolarHBondContact CG2-OD2 3.38Å; L493-D496 PolarHBondContact O-N 3.13Å; M494-D496 PolarHBondContact O-N 3.29Å; D496-N498 PolarHBondContact O-N 3.04Å
497S74.2Confident81Confident56 Ų5651.4 Ų51.439%0.39227%0.266SS..THydrogen-bonded Turntrans6513.5-178.1-50.90000116.1L493 M494 N495 F499L493-S497 PolarHBondContact O-N 2.84Å; M494-S497 PolarHBondContact O-N 3.24Å; N495-S497 VanDerWaalsContact C-N 3.32Å; S497-F499 WeakPolarHBondContact O-CD2 3.37Å; S497-F499 PolarHBondContact O-N 3.45Å; S497-F499 VanDerWaalsContact O-N 3.14Å
498N80.4Confident81.1Confident52 Ų5252.4 Ų52.428%0.27828%0.276SS..  trans-88.669.4176.9-76.47.2000111.8L493 D496 E501 A502L493-N498 PolarHBondContact O-N 3.48Å; L493-N498 VanDerWaalsContact O-N 3.13Å; D496-N498 PolarHBondContact O-N 3.04Å; N498-E501 WeakPolarHBondContact CB-OE2 3.46Å; N498-E501 PolarHBondContact ND2-OE2 3.37Å; N498-A502 PolarHBondContact O-N 2.92Å; N498-A502 VanDerWaalsContact O-N 3.14Å
499F82Confident81.1Confident18 Ų1856.4 Ų56.48%0.07929%0.289CS..Hα-helixtrans-71.2-29.3-177.3-67.4-85.7000114.1M494 S497 A502 K503 I517 Y521 Y524M494-F499 HydrophobicContact CB-CE1 4.25Å; M494-F499 HydrophobicContact CG-CD1 4.04Å; M494-F499 HydrophobicContact CG-CE1 4.02Å; M494-F499 HydrophobicContact SD-CD1 4.47Å; M494-F499 HydrophobicContact SD-CE1 4.31Å; S497-F499 WeakPolarHBondContact O-CD2 3.37Å; S497-F499 PolarHBondContact O-N 3.45Å; S497-F499 VanDerWaalsContact O-N 3.14Å; F499-A502 PolarHBondContact O-N 2.88Å; F499-K503 WeakPolarHBondContact O-CB 3.31Å; F499-K503 PolarHBondContact O-N 2.92Å; F499-I517 HydrophobicContact CD1-CG2 4.43Å; F499-Y521 HydrophobicContact CB-CD2 3.73Å; F499-Y521 HydrophobicContact CB-CE2 4.04Å; F499-Y521 AromaticContact CD1-CD2 3.69Å; F499-Y521 HydrophobicContact CD1-CD2 3.69Å; F499-Y521 HydrophobicContact CD1-CG 4.22Å; F499-Y521 AromaticContact CD2-CD2 3.52Å; F499-Y521 HydrophobicContact CD2-CD2 3.52Å; F499-Y521 AromaticContact CD2-CE2 3.86Å; F499-Y521 HydrophobicContact CD2-CE2 3.86Å; F499-Y521 HydrophobicContact CE1-CD2 4.13Å; F499-Y521 AromaticContact CE2-CD2 3.97Å; F499-Y521 HydrophobicContact CE2-CD2 3.97Å; F499-Y521 HydrophobicContact CE2-CE2 4.49Å; F499-Y521 AromaticContact CG-CD2 3.36Å; F499-Y521 HydrophobicContact CG-CD2 3.36Å; F499-Y521 AromaticContact CG-CE2 3.97Å; F499-Y521 HydrophobicContact CG-CE2 3.97Å; F499-Y521 HydrophobicContact CG-CG 4.25Å; F499-Y521 HydrophobicContact CZ-CD2 4.25Å; F499-Y524 HydrophobicContact CD2-CD1 4.49Å; F499-Y524 AromaticContact CE2-CD1 3.69Å; F499-Y524 HydrophobicContact CE2-CD1 3.69Å; F499-Y524 HydrophobicContact CE2-CD2 4.11Å; F499-Y524 HydrophobicContact CE2-CE1 4.08Å; F499-Y524 HydrophobicContact CE2-CE2 4.44Å; F499-Y524 AromaticContact CE2-CG 3.71Å; F499-Y524 HydrophobicContact CE2-CG 3.71Å; F499-Y524 HydrophobicContact CZ-CD1 4.23Å; F499-Y524 HydrophobicContact CZ-CD2 4.28Å; F499-Y524 AromaticContact CZ-CG 3.84Å; F499-Y524 HydrophobicContact CZ-CG 3.84Å
500E81.6Confident81.1Confident164 Ų16457 Ų5777%0.76630%0.295SS*.Hα-helixtrans-65-44.5178.3-67.8-174.3177.500111.3K503 Q504E500-K503 PolarHBondContact O-N 2.98Å; E500-Q504 WeakPolarHBondContact O-CG 3.37Å; E500-Q504 PolarHBondContact O-N 2.76Å
501E80.7Confident81.2Confident62 Ų6261.1 Ų61.129%0.2932%0.321SS..Hα-helixtrans-71.1-39.3177.4-64.9173.1161.600111.2F474 L493 N498 K503 Q504 V505F474-E501 WeakPolarHBondContact CE1-OE1 3.45Å; F474-E501 WeakPolarHBondContact CE1-OE2 3.49Å; F474-E501 VanDerWaalsContact CZ-CD 3.4Å; F474-E501 WeakPolarHBondContact CZ-OE1 2.97Å; F474-E501 WeakPolarHBondContact CZ-OE2 3.5Å; L493-E501 HydrophobicContact CD1-CB 4.35Å; L493-E501 HydrophobicContact CD2-CB 4.41Å; N498-E501 WeakPolarHBondContact CB-OE2 3.46Å; N498-E501 PolarHBondContact ND2-OE2 3.37Å; E501-K503 PolarHBondContact O-N 3.48Å; E501-Q504 PolarHBondContact O-N 3.08Å; E501-Q504 VanDerWaalsContact O-N 3.17Å; E501-V505 WeakPolarHBondContact O-CB 3.24Å; E501-V505 WeakPolarHBondContact O-CG2 3.47Å; E501-V505 PolarHBondContact O-N 2.92Å
502A81.1Confident81.3Confident0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-57.5-39.4171.900000111.5V490 L493 M494 N498 F499 A506 I517V490-A502 HydrophobicContact CG1-CB 4.44Å; L493-A502 HydrophobicContact CB-CB 3.92Å; L493-A502 HydrophobicContact CD1-CB 4.43Å; M494-A502 HydrophobicContact CG-CB 3.89Å; N498-A502 PolarHBondContact O-N 2.92Å; N498-A502 VanDerWaalsContact O-N 3.14Å; F499-A502 PolarHBondContact O-N 2.88Å; A502-A506 WeakPolarHBondContact O-CB 3.31Å; A502-A506 PolarHBondContact O-N 2.89Å; A502-I517 HydrophobicContact CB-CD1 4.34Å; A502-I517 VanDerWaalsContact O-CD1 3.26Å; A502-I517 WeakPolarHBondContact O-CD1 3.28Å
503K83.2Confident81.5Confident113 Ų11368.6 Ų68.649%0.49135%0.354SS..Hα-helixtrans-69.1-38.2176.8-169.4171.5-177.2167.10112.2F499 E500 E501 A507 E518F499-K503 WeakPolarHBondContact O-CB 3.31Å; F499-K503 PolarHBondContact O-N 2.92Å; E500-K503 PolarHBondContact O-N 2.98Å; E501-K503 PolarHBondContact O-N 3.48Å; K503-A507 WeakPolarHBondContact O-CB 3.1Å; K503-A507 PolarHBondContact O-N 2.83Å; K503-E518 IonicContact NZ-OE1 2.7Å
504Q83.7Confident81.5Confident125 Ų12570.1 Ų70.158%0.58437%0.365SS*.Hα-helixtrans-64.6-47.9172.9-71.9179.42.500111.4E500 E501 A506 A507 D508E500-Q504 WeakPolarHBondContact O-CG 3.37Å; E500-Q504 PolarHBondContact O-N 2.76Å; E501-Q504 PolarHBondContact O-N 3.08Å; E501-Q504 VanDerWaalsContact O-N 3.17Å; Q504-A506 VanDerWaalsContact C-N 3.32Å; Q504-A506 PolarHBondContact O-N 3.43Å; Q504-A507 WeakPolarHBondContact O-CB 3.44Å; Q504-A507 PolarHBondContact O-N 3.08Å; Q504-A507 VanDerWaalsContact O-N 3.07Å; Q504-D508 PolarHBondContact O-N 2.95Å
505V83.1Confident81.5Confident22 Ų2276.6 Ų76.613%0.13340%0.395CS..Hα-helixtrans-60.2-41.2177.4171.80000111.6L481 A489 V490 L493 E501 D508 Y509L481-V505 HydrophobicContact CD1-CG1 3.93Å; L481-V505 HydrophobicContact CD1-CG2 4.27Å; L481-V505 HydrophobicContact CD2-CG1 3.67Å; L481-V505 HydrophobicContact CG-CG1 4.27Å; A489-V505 HydrophobicContact CB-CG1 4.49Å; V490-V505 HydrophobicContact CG2-CB 4.42Å; V490-V505 HydrophobicContact CG2-CG1 3.99Å; L493-V505 HydrophobicContact CD1-CB 4.3Å; L493-V505 HydrophobicContact CD1-CG2 3.78Å; E501-V505 WeakPolarHBondContact O-CB 3.24Å; E501-V505 WeakPolarHBondContact O-CG2 3.47Å; E501-V505 PolarHBondContact O-N 2.92Å; V505-D508 PolarHBondContact O-N 3.34Å; V505-Y509 HydrophobicContact CG1-CD2 4.23Å; V505-Y509 WeakPolarHBondContact O-CB 3.31Å; V505-Y509 WeakPolarHBondContact O-CD2 3.44Å; V505-Y509 PolarHBondContact O-N 3.19Å
506A84.3Confident81.7Confident0 Ų076.6 Ų76.60%039%0.389CS..Hα-helixtrans-66.6-39.7173.600000112.5V490 A502 Q504 D508 A510 P511 L513 I517V490-A506 HydrophobicContact CG2-CB 4.31Å; A502-A506 WeakPolarHBondContact O-CB 3.31Å; A502-A506 PolarHBondContact O-N 2.89Å; Q504-A506 VanDerWaalsContact C-N 3.32Å; Q504-A506 PolarHBondContact O-N 3.43Å; A506-D508 VanDerWaalsContact C-N 3.27Å; A506-D508 PolarHBondContact O-N 3.17Å; A506-A510 CarbonylContact O-C 3.52Å; A506-A510 WeakPolarHBondContact O-CA 3.39Å; A506-A510 PolarHBondContact O-N 3.33Å; A506-A510 VanDerWaalsContact O-O 3.07Å; A506-P511 VanDerWaalsContact O-CA 3.28Å; A506-P511 WeakPolarHBondContact O-CA 3.48Å; A506-L513 HydrophobicContact CB-CB 4.17Å; A506-I517 HydrophobicContact CB-CD1 3.32Å
507A84.4Confident82.1Confident64 Ų6472.8 Ų72.853%0.52937%0.369SS..Hα-helixtrans-61.7-37176.400000112.3K503 Q504K503-A507 WeakPolarHBondContact O-CB 3.1Å; K503-A507 PolarHBondContact O-N 2.83Å; Q504-A507 WeakPolarHBondContact O-CB 3.44Å; Q504-A507 PolarHBondContact O-N 3.08Å; Q504-A507 VanDerWaalsContact O-N 3.07Å
508D84.2Confident82.4Confident129 Ų12974.1 Ų74.169%0.6937%0.369SS*.Hα-helixtrans-83.9-40.8-176.1-69-18.1000113.4Q504 V505 A506Q504-D508 PolarHBondContact O-N 2.95Å; V505-D508 PolarHBondContact O-N 3.34Å; A506-D508 VanDerWaalsContact C-N 3.27Å; A506-D508 PolarHBondContact O-N 3.17Å
509Y80.8Confident82.5Confident142 Ų14277.4 Ų77.456%0.55738%0.382SS*.Hα-helixtrans-112.5-30.6-170.2-65.3-90.2000114.7L481 V505L481-Y509 HydrophobicContact CD1-CD2 4.27Å; L481-Y509 HydrophobicContact CD1-CE2 3.93Å; L481-Y509 HydrophobicContact CD2-CD1 4.07Å; L481-Y509 HydrophobicContact CD2-CD2 3.72Å; L481-Y509 HydrophobicContact CD2-CE1 4.43Å; L481-Y509 HydrophobicContact CD2-CE2 4.11Å; L481-Y509 HydrophobicContact CD2-CG 3.7Å; V505-Y509 HydrophobicContact CG1-CD2 4.23Å; V505-Y509 WeakPolarHBondContact O-CB 3.31Å; V505-Y509 WeakPolarHBondContact O-CD2 3.44Å; V505-Y509 PolarHBondContact O-N 3.19Å
510A79.3Confident82.5Confident13 Ų1379.7 Ų79.711%0.10739%0.391CS..  trans-15477.3-173.100000112.1P486 A506 E512 L513P486-A510 HydrophobicContact CB-CB 3.77Å; P486-A510 HydrophobicContact CG-CB 3.71Å; A506-A510 CarbonylContact O-C 3.52Å; A506-A510 WeakPolarHBondContact O-CA 3.39Å; A506-A510 PolarHBondContact O-N 3.33Å; A506-A510 VanDerWaalsContact O-O 3.07Å; A510-E512 PolarHBondContact O-N 3.06Å; A510-E512 VanDerWaalsContact O-N 3.08Å; A510-L513 HydrophobicContact CB-CD1 3.73Å; A510-L513 HydrophobicContact CB-CG 4.04Å; A510-L513 WeakPolarHBondContact O-CB 3.31Å; A510-L513 PolarHBondContact O-N 3.4Å
511P82.9Confident82.5Confident86 Ų8675.1 Ų75.156%0.55837%0.367SS*.G310 helixtrans-62.5-22.3-174.621.5-32.2000113.1A506 L513 S514A506-P511 VanDerWaalsContact O-CA 3.28Å; A506-P511 WeakPolarHBondContact O-CA 3.48Å; P511-L513 PolarHBondContact O-N 3.02Å; P511-S514 VanDerWaalsContact O-CB 3.31Å; P511-S514 WeakPolarHBondContact O-CB 3.27Å; P511-S514 PolarHBondContact O-N 2.7Å; P511-S514 VanDerWaalsContact O-N 3.11Å; P511-S514 PolarHBondContact O-OG 3.45Å
512E85.3Confident82.4Confident183 Ų18374.8 Ų74.886%0.85536%0.364SS*.G310 helixtrans-58.6-27.4173.7-56.2-178-164.100112.7A510 S514A510-E512 PolarHBondContact O-N 3.06Å; A510-E512 VanDerWaalsContact O-N 3.08Å; E512-S514 VanDerWaalsContact C-N 3.27Å; E512-S514 PolarHBondContact O-N 2.88Å
513L82.9Confident82.4Confident25 Ų2579.2 Ų79.213%0.13139%0.388CS..G310 helixtrans-78.4-6179-63.7175.4000113.7K487 V490 A506 A510 P511 Q515 Y516 I517K487-L513 HydrophobicContact CB-CD1 4.08Å; K487-L513 HydrophobicContact CB-CD2 4.42Å; K487-L513 HydrophobicContact CG-CD2 4.19Å; V490-L513 HydrophobicContact CB-CD1 4.28Å; V490-L513 HydrophobicContact CG2-CD1 4.04Å; A506-L513 HydrophobicContact CB-CB 4.17Å; A510-L513 HydrophobicContact CB-CD1 3.73Å; A510-L513 HydrophobicContact CB-CG 4.04Å; A510-L513 WeakPolarHBondContact O-CB 3.31Å; A510-L513 PolarHBondContact O-N 3.4Å; P511-L513 PolarHBondContact O-N 3.02Å; L513-Q515 VanDerWaalsContact C-N 3.33Å; L513-Q515 PolarHBondContact O-N 3.38Å; L513-Y516 WeakPolarHBondContact O-CB 3.44Å; L513-Y516 PolarHBondContact O-N 3.34Å; L513-Y516 VanDerWaalsContact O-N 3.07Å; L513-I517 WeakPolarHBondContact O-CG1 3.49Å; L513-I517 PolarHBondContact O-N 2.75Å
514S80Confident82.3Confident37 Ų3776.8 Ų76.826%0.25938%0.376SS..Hα-helixtrans-59-43.1-177.9-58.90000112.3P511 E512 Y516 I517 E518P511-S514 VanDerWaalsContact O-CB 3.31Å; P511-S514 WeakPolarHBondContact O-CB 3.27Å; P511-S514 PolarHBondContact O-N 2.7Å; P511-S514 VanDerWaalsContact O-N 3.11Å; P511-S514 PolarHBondContact O-OG 3.45Å; E512-S514 VanDerWaalsContact C-N 3.27Å; E512-S514 PolarHBondContact O-N 2.88Å; S514-Y516 VanDerWaalsContact C-N 3.31Å; S514-Y516 PolarHBondContact O-N 2.93Å; S514-I517 PolarHBondContact O-N 2.8Å; S514-E518 WeakPolarHBondContact O-CG 3.31Å; S514-E518 PolarHBondContact O-N 3.32Å
515Q82.8Confident82Confident142 Ų14271 Ų7166%0.66435%0.349SS*.Hα-helixtrans-64.5-37176.7-68.7-175.40.500111.9L513 E518 Q519L513-Q515 VanDerWaalsContact C-N 3.33Å; L513-Q515 PolarHBondContact O-N 3.38Å; Q515-E518 PolarHBondContact O-N 2.78Å; Q515-Q519 WeakPolarHBondContact O-CG 3.34Å; Q515-Q519 PolarHBondContact O-N 2.77Å
516Y83.9Confident81.7Confident90 Ų9074 Ų7435%0.35336%0.361SS..Hα-helixtrans-66.3-44.1178.2177.2-114.6000111.6D491 M494 L513 S514 Q519 R520D491-Y516 WeakPolarHBondContact OD1-CE1 3.12Å; D491-Y516 PolarHBondContact OD1-OH 3.04Å; M494-Y516 HydrophobicContact CE-CD1 3.75Å; M494-Y516 HydrophobicContact CE-CE1 3.26Å; L513-Y516 WeakPolarHBondContact O-CB 3.44Å; L513-Y516 PolarHBondContact O-N 3.34Å; L513-Y516 VanDerWaalsContact O-N 3.07Å; S514-Y516 VanDerWaalsContact C-N 3.31Å; S514-Y516 PolarHBondContact O-N 2.93Å; Y516-Q519 PolarHBondContact O-N 3.16Å; Y516-R520 WeakPolarHBondContact O-CB 3.38Å; Y516-R520 PolarHBondContact O-N 3.34Å
517I83.1Confident81.5Confident6 Ų682.2 Ų82.23%0.03140%0.399CS..Hα-helixtrans-63.2-45175.7-64.3164.5000110.6V490 M494 F499 A502 A506 L513 S514 Q519 R520 Y521V490-I517 HydrophobicContact CG1-CD1 3.7Å; V490-I517 HydrophobicContact CG1-CG1 3.59Å; V490-I517 HydrophobicContact CG2-CD1 4.36Å; M494-I517 HydrophobicContact CE-CG1 4.44Å; M494-I517 HydrophobicContact SD-CB 4.19Å; M494-I517 HydrophobicContact SD-CG1 3.81Å; M494-I517 HydrophobicContact SD-CG2 4.24Å; F499-I517 HydrophobicContact CD1-CG2 4.43Å; A502-I517 HydrophobicContact CB-CD1 4.34Å; A502-I517 VanDerWaalsContact O-CD1 3.26Å; A502-I517 WeakPolarHBondContact O-CD1 3.28Å; A506-I517 HydrophobicContact CB-CD1 3.32Å; L513-I517 WeakPolarHBondContact O-CG1 3.49Å; L513-I517 PolarHBondContact O-N 2.75Å; S514-I517 PolarHBondContact O-N 2.8Å; I517-Q519 PolarHBondContact O-N 3.24Å; I517-R520 PolarHBondContact O-N 3.21Å; I517-Y521 VanDerWaalsContact O-CB 3.27Å; I517-Y521 WeakPolarHBondContact O-CB 3.49Å; I517-Y521 PolarHBondContact O-N 3.48Å
518E79.8Confident81.1Confident84 Ų8483.9 Ų83.939%0.39340%0.396SS..Hα-helixtrans-61.6-44.4178.9-76.8-178.6178.100112.2K503 S514 Q515 R520 Y521 K522K503-E518 IonicContact NZ-OE1 2.7Å; S514-E518 WeakPolarHBondContact O-CG 3.31Å; S514-E518 PolarHBondContact O-N 3.32Å; Q515-E518 PolarHBondContact O-N 2.78Å; E518-R520 PolarHBondContact O-N 3.29Å; E518-Y521 PolarHBondContact O-N 2.79Å; E518-K522 WeakPolarHBondContact O-CB 3.43Å; E518-K522 VanDerWaalsContact O-CG 3.26Å; E518-K522 WeakPolarHBondContact O-CG 3.43Å; E518-K522 PolarHBondContact O-N 2.82Å
519Q83.3Confident80.3Confident120 Ų12078.4 Ų78.456%0.56137%0.369SS*.Hα-helixtrans-61.6-43.7175.4-74.7178.53.700112Q515 Y516 I517 K522 N523Q515-Q519 WeakPolarHBondContact O-CG 3.34Å; Q515-Q519 PolarHBondContact O-N 2.77Å; Y516-Q519 PolarHBondContact O-N 3.16Å; I517-Q519 PolarHBondContact O-N 3.24Å; Q519-K522 PolarHBondContact O-N 3.08Å; Q519-N523 PolarHBondContact O-N 3.38Å; Q519-N523 PolarHBondContact O-ND2 3.12Å
520R82.9Confident79.9Confident66 Ų6676.3 Ų76.325%0.24936%0.363CS..Hα-helixtrans-68.2-38.1179.2-158.2-175.4-177.4164.8-4.7112.1D491 M494 N495 Y516 I517 E518 N523 Y524D491-R520 IonicContact OD1-NH1 2.59Å; D491-R520 PolarHBondContact OD1-NH1 2.95Å; M494-R520 HydrophobicContact SD-CB 4Å; M494-R520 WeakPolarHBondContact SD-CD 3.45Å; M494-R520 HydrophobicContact SD-CG 4.29Å; N495-R520 PolarHBondContact OD1-NH2 2.88Å; Y516-R520 WeakPolarHBondContact O-CB 3.38Å; Y516-R520 PolarHBondContact O-N 3.34Å; I517-R520 PolarHBondContact O-N 3.21Å; E518-R520 PolarHBondContact O-N 3.29Å; R520-N523 PolarHBondContact O-N 3.29Å; R520-Y524 WeakPolarHBondContact O-CB 3.39Å; R520-Y524 PolarHBondContact O-N 3.19Å
521Y80Confident79.4Confident68 Ų6876 Ų7627%0.26736%0.36SS..Hα-helixtrans-65.1-42.7174.8-173.9-118.1000111.8F499 I517 E518 N523 Y524 L525 V537F499-Y521 HydrophobicContact CB-CD2 3.73Å; F499-Y521 HydrophobicContact CB-CE2 4.04Å; F499-Y521 AromaticContact CD1-CD2 3.69Å; F499-Y521 HydrophobicContact CD1-CD2 3.69Å; F499-Y521 HydrophobicContact CD1-CG 4.22Å; F499-Y521 AromaticContact CD2-CD2 3.52Å; F499-Y521 HydrophobicContact CD2-CD2 3.52Å; F499-Y521 AromaticContact CD2-CE2 3.86Å; F499-Y521 HydrophobicContact CD2-CE2 3.86Å; F499-Y521 HydrophobicContact CE1-CD2 4.13Å; F499-Y521 AromaticContact CE2-CD2 3.97Å; F499-Y521 HydrophobicContact CE2-CD2 3.97Å; F499-Y521 HydrophobicContact CE2-CE2 4.49Å; F499-Y521 AromaticContact CG-CD2 3.36Å; F499-Y521 HydrophobicContact CG-CD2 3.36Å; F499-Y521 AromaticContact CG-CE2 3.97Å; F499-Y521 HydrophobicContact CG-CE2 3.97Å; F499-Y521 HydrophobicContact CG-CG 4.25Å; F499-Y521 HydrophobicContact CZ-CD2 4.25Å; I517-Y521 VanDerWaalsContact O-CB 3.27Å; I517-Y521 WeakPolarHBondContact O-CB 3.49Å; I517-Y521 PolarHBondContact O-N 3.48Å; E518-Y521 PolarHBondContact O-N 2.79Å; Y521-N523 VanDerWaalsContact C-N 3.34Å; Y521-N523 PolarHBondContact O-N 3.42Å; Y521-Y524 PolarHBondContact O-N 3.44Å; Y521-L525 HydrophobicContact CD1-CD1 3.86Å; Y521-L525 HydrophobicContact CD1-CG 4.45Å; Y521-L525 HydrophobicContact CE1-CD1 3.42Å; Y521-L525 VanDerWaalsContact CE1-CD1 3.42Å; Y521-L525 HydrophobicContact CE1-CG 4.15Å; Y521-L525 HydrophobicContact CE2-CD1 4.4Å; Y521-L525 HydrophobicContact CE2-CD2 4.45Å; Y521-L525 HydrophobicContact CE2-CG 4.26Å; Y521-L525 WeakPolarHBondContact O-CG 3.41Å; Y521-L525 PolarHBondContact O-N 3.2Å; Y521-V537 HydrophobicContact CD1-CG2 4.26Å; Y521-V537 HydrophobicContact CE1-CG2 3.93Å
522K79.4Confident78.7Confident55 Ų5577.3 Ų77.324%0.23936%0.363CS..Hα-helixtrans-57.3-46.3171.9-74.8178.7-177.5-156.10111.6E518 Q519 L525 K526 L534 V537 D538E518-K522 WeakPolarHBondContact O-CB 3.43Å; E518-K522 VanDerWaalsContact O-CG 3.26Å; E518-K522 WeakPolarHBondContact O-CG 3.43Å; E518-K522 PolarHBondContact O-N 2.82Å; Q519-K522 PolarHBondContact O-N 3.08Å; K522-L525 PolarHBondContact O-N 3.38Å; K522-K526 WeakPolarHBondContact O-CB 3.48Å; K522-K526 WeakPolarHBondContact O-CG 3.48Å; K522-K526 PolarHBondContact O-N 3.39Å; K522-L534 HydrophobicContact CG-CD1 4.38Å; K522-V537 HydrophobicContact CG-CG1 4.05Å; K522-D538 HydrophobicContact CD-CB 4.26Å; K522-D538 IonicContact NZ-OD2 3.82Å; K522-D538 PolarHBondContact NZ-OD2 3.22Å
523N81.3Confident78Confident93 Ų9372.6 Ų72.650%0.49734%0.343SS..Hα-helixtrans-64.3-40.1178.3-71-18.9000112.2Q519 R520 Y521 K526 Q527Q519-N523 PolarHBondContact O-N 3.38Å; Q519-N523 PolarHBondContact O-ND2 3.12Å; R520-N523 PolarHBondContact O-N 3.29Å; Y521-N523 VanDerWaalsContact C-N 3.34Å; Y521-N523 PolarHBondContact O-N 3.42Å; N523-K526 PolarHBondContact O-N 2.95Å; N523-Q527 WeakPolarHBondContact O-CG 3.22Å; N523-Q527 PolarHBondContact O-N 3.34Å
524Y80.7Confident77.5Confident62 Ų6271.4 Ų71.424%0.24334%0.337CS..Hα-helixtrans-62.2-46.6174.4172.9-97.3000112.2F499 R520 Y521 K526 Q527 Q528F499-Y524 HydrophobicContact CD2-CD1 4.49Å; F499-Y524 AromaticContact CE2-CD1 3.69Å; F499-Y524 HydrophobicContact CE2-CD1 3.69Å; F499-Y524 HydrophobicContact CE2-CD2 4.11Å; F499-Y524 HydrophobicContact CE2-CE1 4.08Å; F499-Y524 HydrophobicContact CE2-CE2 4.44Å; F499-Y524 AromaticContact CE2-CG 3.71Å; F499-Y524 HydrophobicContact CE2-CG 3.71Å; F499-Y524 HydrophobicContact CZ-CD1 4.23Å; F499-Y524 HydrophobicContact CZ-CD2 4.28Å; F499-Y524 AromaticContact CZ-CG 3.84Å; F499-Y524 HydrophobicContact CZ-CG 3.84Å; R520-Y524 WeakPolarHBondContact O-CB 3.39Å; R520-Y524 PolarHBondContact O-N 3.19Å; Y521-Y524 PolarHBondContact O-N 3.44Å; Y524-K526 PolarHBondContact O-N 2.67Å; Y524-Q527 PolarHBondContact O-N 3.1Å; Y524-Q528 HydrophobicContact CD1-CG 4.47Å; Y524-Q528 HydrophobicContact CD2-CG 4.46Å; Y524-Q528 HydrophobicContact CE1-CG 4.05Å; Y524-Q528 HydrophobicContact CE2-CG 4.07Å; Y524-Q528 WeakPolarHBondContact O-CG 3.5Å; Y524-Q528 PolarHBondContact O-N 3.35Å; Y524-Q528 PolarHBondContact OH-NE2 2.72Å
525L76.7Confident76.9Confident3 Ų370 Ų702%0.01633%0.327CS..Hα-helixtrans-64.4-38.9177.8-74.3178.8000112.4Y521 K522 Q528 G529 K530 L533 L534 V537Y521-L525 HydrophobicContact CD1-CD1 3.86Å; Y521-L525 HydrophobicContact CD1-CG 4.45Å; Y521-L525 HydrophobicContact CE1-CD1 3.42Å; Y521-L525 VanDerWaalsContact CE1-CD1 3.42Å; Y521-L525 HydrophobicContact CE1-CG 4.15Å; Y521-L525 HydrophobicContact CE2-CD1 4.4Å; Y521-L525 HydrophobicContact CE2-CD2 4.45Å; Y521-L525 HydrophobicContact CE2-CG 4.26Å; Y521-L525 WeakPolarHBondContact O-CG 3.41Å; Y521-L525 PolarHBondContact O-N 3.2Å; K522-L525 PolarHBondContact O-N 3.38Å; L525-Q528 PolarHBondContact O-N 3.12Å; L525-G529 PolarHBondContact O-N 3.07Å; L525-K530 HydrophobicContact CD2-CB 4.36Å; L525-K530 PolarHBondContact O-N 3.44Å; L525-L533 HydrophobicContact CD2-CB 4.14Å; L525-L534 HydrophobicContact CB-CB 4.29Å; L525-L534 HydrophobicContact CB-CD1 4.02Å; L525-L534 HydrophobicContact CD1-CB 4.25Å; L525-L534 HydrophobicContact CD1-CD1 4.05Å; L525-V537 HydrophobicContact CD1-CG2 4.48Å
526K77.3Confident76.3Confident87 Ų8769.3 Ų69.338%0.37833%0.328SS..Hα-helixtrans-59.6-45.3172.7-77.7-176.4179.9-174.40111.6K522 N523 Y524 G529 L534 S541 V545K522-K526 WeakPolarHBondContact O-CB 3.48Å; K522-K526 WeakPolarHBondContact O-CG 3.48Å; K522-K526 PolarHBondContact O-N 3.39Å; N523-K526 PolarHBondContact O-N 2.95Å; Y524-K526 PolarHBondContact O-N 2.67Å; K526-G529 PolarHBondContact O-N 3.08Å; K526-L534 HydrophobicContact CG-CD2 3.76Å; K526-S541 WeakPolarHBondContact CE-OG 3.3Å; K526-S541 PolarHBondContact NZ-OG 3.18Å; K526-V545 HydrophobicContact CG-CG2 4.27Å
527Q79.4Confident75.5Confident171 Ų17168 Ų6880%0.79933%0.329SS*.Hα-helixtrans-67.4-37.9178.9-73.6178.23.100113.1N523 Y524 G529N523-Q527 WeakPolarHBondContact O-CG 3.22Å; N523-Q527 PolarHBondContact O-N 3.34Å; Y524-Q527 PolarHBondContact O-N 3.1Å; Q527-G529 VanDerWaalsContact C-N 3.27Å; Q527-G529 PolarHBondContact O-N 3.22Å
528Q76.4Confident75Confident100 Ų10069.1 Ų69.147%0.46734%0.336SS..Hα-helixtrans-75.4-16176-73.8-92.9-13.300112.9Y524 L525 K530Y524-Q528 HydrophobicContact CD1-CG 4.47Å; Y524-Q528 HydrophobicContact CD2-CG 4.46Å; Y524-Q528 HydrophobicContact CE1-CG 4.05Å; Y524-Q528 HydrophobicContact CE2-CG 4.07Å; Y524-Q528 WeakPolarHBondContact O-CG 3.5Å; Y524-Q528 PolarHBondContact O-N 3.35Å; Y524-Q528 PolarHBondContact OH-NE2 2.72Å; L525-Q528 PolarHBondContact O-N 3.12Å; Q528-K530 VanDerWaalsContact C-N 3.28Å; Q528-K530 HydrophobicContact CB-CD 4.5Å; Q528-K530 HydrophobicContact CB-CG 4.29Å; Q528-K530 PolarHBondContact O-N 3.41Å
529G68.9Low74.7Confident13 Ų1366.4 Ų66.413%0.13432%0.323CS..THydrogen-bonded Turntrans6922.9178.100000114.7L525 K526 Q527 A531 R549L525-G529 PolarHBondContact O-N 3.07Å; K526-G529 PolarHBondContact O-N 3.08Å; Q527-G529 VanDerWaalsContact C-N 3.27Å; Q527-G529 PolarHBondContact O-N 3.22Å; G529-A531 PolarHBondContact O-N 3.44Å; G529-R549 PolarHBondContact O-NH2 3.46Å
530K71.5Confident74.4Confident99 Ų9964.2 Ų64.243%0.4332%0.316SS..  trans-86.776.7178.5-68-178.9-177.4176.10110.1L525 Q528 D532 L533 L534L525-K530 HydrophobicContact CD2-CB 4.36Å; L525-K530 PolarHBondContact O-N 3.44Å; Q528-K530 VanDerWaalsContact C-N 3.28Å; Q528-K530 HydrophobicContact CB-CD 4.5Å; Q528-K530 HydrophobicContact CB-CG 4.29Å; Q528-K530 PolarHBondContact O-N 3.41Å; K530-D532 VanDerWaalsContact C-N 3.34Å; K530-D532 PolarHBondContact O-N 3.09Å; K530-L533 HydrophobicContact CB-CD1 4.32Å; K530-L533 HydrophobicContact CD-CD1 3.93Å; K530-L533 PolarHBondContact O-N 2.91Å; K530-L534 PolarHBondContact O-N 2.89Å; K530-L534 VanDerWaalsContact O-N 3.16Å
531A68Low74Confident5 Ų561.5 Ų61.54%0.04131%0.307CS..Hα-helixtrans-61.7-37.9-174.400000113G529 L533 L534 A535 A542 V545 F546G529-A531 PolarHBondContact O-N 3.44Å; A531-L533 PolarHBondContact O-N 3.23Å; A531-L534 CarbonylContact O-C 2.92Å; A531-L534 WeakPolarHBondContact O-CB 3.16Å; A531-L534 PolarHBondContact O-N 3.11Å; A531-L534 VanDerWaalsContact O-N 3.15Å; A531-A535 PolarHBondContact O-N 3.42Å; A531-A542 WeakPolarHBondContact O-CB 3.41Å; A531-V545 HydrophobicContact CB-CG1 4.3Å; A531-F546 HydrophobicContact CB-CD2 3.81Å; A531-F546 HydrophobicContact CB-CE2 3.28Å; A531-F546 HydrophobicContact CB-CZ 3.74Å
532D69.8Low73.7Confident114 Ų11458.2 Ų58.261%0.6129%0.294SS*.Hα-helixtrans-63.1-40.4-178.8-53.6-28.4000112.9K530 A535K530-D532 VanDerWaalsContact C-N 3.34Å; K530-D532 PolarHBondContact O-N 3.09Å; D532-A535 WeakPolarHBondContact O-CB 3.47Å; D532-A535 PolarHBondContact O-N 2.68Å
533L70Confident73.5Confident85 Ų8555.6 Ų55.645%0.44528%0.283SS..Hα-helixtrans-73.2-33.3176-71169.1000111.6L525 K530 A531 A535 N536L525-L533 HydrophobicContact CD2-CB 4.14Å; K530-L533 HydrophobicContact CB-CD1 4.32Å; K530-L533 HydrophobicContact CD-CD1 3.93Å; K530-L533 PolarHBondContact O-N 2.91Å; A531-L533 PolarHBondContact O-N 3.23Å; L533-A535 VanDerWaalsContact C-N 3.29Å; L533-N536 PolarHBondContact O-N 3.22Å
534L73.1Confident73.3Confident0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-67.7-32.1174.3-172.256.2000111.1K522 L525 K526 K530 A531 N536 V537 D538 A542 V545K522-L534 HydrophobicContact CG-CD1 4.38Å; L525-L534 HydrophobicContact CB-CB 4.29Å; L525-L534 HydrophobicContact CB-CD1 4.02Å; L525-L534 HydrophobicContact CD1-CB 4.25Å; L525-L534 HydrophobicContact CD1-CD1 4.05Å; K526-L534 HydrophobicContact CG-CD2 3.76Å; K530-L534 PolarHBondContact O-N 2.89Å; K530-L534 VanDerWaalsContact O-N 3.16Å; A531-L534 CarbonylContact O-C 2.92Å; A531-L534 WeakPolarHBondContact O-CB 3.16Å; A531-L534 PolarHBondContact O-N 3.11Å; A531-L534 VanDerWaalsContact O-N 3.15Å; L534-N536 PolarHBondContact O-N 2.98Å; L534-V537 PolarHBondContact O-N 3.43Å; L534-D538 HydrophobicContact CD1-CB 4.41Å; L534-D538 CarbonylContact O-C 3.42Å; L534-D538 PolarHBondContact O-N 3.45Å; L534-A542 HydrophobicContact CB-CB 3.96Å; L534-A542 HydrophobicContact CD2-CB 4.41Å; L534-A542 HydrophobicContact CG-CB 4.01Å; L534-V545 HydrophobicContact CD2-CG2 3.99Å
535A66.5Low73.2Confident7 Ų752.3 Ų52.36%0.05827%0.27CS..Hα-helixtrans-60.7-35.1179.900000112.2A531 D532 L533 V537 L539 A542 L558A531-A535 PolarHBondContact O-N 3.42Å; D532-A535 WeakPolarHBondContact O-CB 3.47Å; D532-A535 PolarHBondContact O-N 2.68Å; L533-A535 VanDerWaalsContact C-N 3.29Å; A535-V537 VanDerWaalsContact C-N 3.27Å; A535-V537 PolarHBondContact O-N 3.4Å; A535-L539 HydrophobicContact CB-CD1 4.32Å; A535-A542 HydrophobicContact CB-CB 3.87Å; A535-L558 HydrophobicContact CB-CD1 3.83Å; A535-L558 HydrophobicContact CB-CD2 3.8Å; A535-L558 HydrophobicContact CB-CG 4.21Å
536N70.1Confident73.2Confident127 Ų12753.5 Ų53.568%0.67928%0.275SS*.THydrogen-bonded Turntrans-70.1-21.2176.7-67.2-29.7000113.7L533 L534L533-N536 PolarHBondContact O-N 3.22Å; L534-N536 PolarHBondContact O-N 2.98Å
537V67.3Low73.1Confident62 Ų6250.2 Ų50.238%0.37626%0.264SS..THydrogen-bonded Turntrans-103.2-42.3-178.8-175.70000111.3Y521 K522 L525 L534 A535Y521-V537 HydrophobicContact CD1-CG2 4.26Å; Y521-V537 HydrophobicContact CE1-CG2 3.93Å; K522-V537 HydrophobicContact CG-CG1 4.05Å; L525-V537 HydrophobicContact CD1-CG2 4.48Å; L534-V537 PolarHBondContact O-N 3.43Å; A535-V537 VanDerWaalsContact C-N 3.27Å; A535-V537 PolarHBondContact O-N 3.4Å
538D73.3Confident73.1Confident31 Ų3146.8 Ų46.817%0.16626%0.259CS..  trans-157.390.2-173.9-172-13.2000109.8K522 L534 N540 S541 A542K522-D538 HydrophobicContact CD-CB 4.26Å; K522-D538 IonicContact NZ-OD2 3.82Å; K522-D538 PolarHBondContact NZ-OD2 3.22Å; L534-D538 HydrophobicContact CD1-CB 4.41Å; L534-D538 CarbonylContact O-C 3.42Å; L534-D538 PolarHBondContact O-N 3.45Å; D538-N540 PolarHBondContact O-N 3.02Å; D538-N540 PolarHBondContact OD1-N 3.02Å; D538-S541 VanDerWaalsContact CG-CB 3.44Å; D538-S541 VanDerWaalsContact CG-OG 3.22Å; D538-S541 PolarHBondContact O-N 3.38Å; D538-S541 PolarHBondContact OD1-N 3.43Å; D538-S541 VanDerWaalsContact OD1-N 3.14Å; D538-S541 WeakPolarHBondContact OD2-CB 3.31Å; D538-S541 PolarHBondContact OD2-OG 3.23Å; D538-A542 PolarHBondContact O-N 2.8Å
539L72.6Confident73.1Confident26 Ų2649 Ų4914%0.13626%0.263CS..Hα-helixtrans-53.6-40.5178.5-177.862.3000112.3A535 A542 I543 L558 H562 N564 L567A535-L539 HydrophobicContact CB-CD1 4.32Å; L539-A542 PolarHBondContact O-N 2.95Å; L539-I543 HydrophobicContact CD1-CD1 3.89Å; L539-I543 HydrophobicContact CD1-CG1 4.14Å; L539-I543 HydrophobicContact CD2-CD1 4.44Å; L539-I543 HydrophobicContact CG-CD1 3.73Å; L539-I543 HydrophobicContact CG-CG1 4.39Å; L539-I543 VanDerWaalsContact O-CG1 3.22Å; L539-I543 WeakPolarHBondContact O-CG1 3.35Å; L539-I543 PolarHBondContact O-N 2.82Å; L539-L558 HydrophobicContact CD1-CD2 3.96Å; L539-L558 HydrophobicContact CD1-CG 3.91Å; L539-H562 HydrophobicContact CD1-CB 4.3Å; L539-H562 VanDerWaalsContact CD1-CD2 3.44Å; L539-H562 WeakPolarHBondContact CD1-CD2 3.17Å; L539-H562 HydrophobicContact CD2-CB 3.7Å; L539-N564 HydrophobicContact CD2-CB 4.16Å; L539-L567 HydrophobicContact CD2-CD1 3.67Å; L539-L567 HydrophobicContact CG-CD1 3.96Å
540N76.7Confident73.3Confident74 Ų7450.2 Ų50.240%0.39628%0.275SS..Hα-helixtrans-62.4-48.9179-69.9-33.6000110.9D538 A542 I543 D544 L567D538-N540 PolarHBondContact O-N 3.02Å; D538-N540 PolarHBondContact OD1-N 3.02Å; N540-A542 VanDerWaalsContact C-N 3.28Å; N540-A542 PolarHBondContact O-N 3.1Å; N540-I543 PolarHBondContact O-N 2.72Å; N540-D544 WeakPolarHBondContact O-CB 3.46Å; N540-D544 PolarHBondContact O-N 3.24Å; N540-L567 VanDerWaalsContact OD1-CD1 3.23Å; N540-L567 WeakPolarHBondContact OD1-CD1 3.42Å; N540-L567 WeakPolarHBondContact OD1-CD2 3.45Å
541S74.9Confident73.7Confident9 Ų948.9 Ų48.96%0.06327%0.272CS..Hα-helixtrans-62.6-34.5177.3-75.30000112.7K526 D538 V545K526-S541 WeakPolarHBondContact CE-OG 3.3Å; K526-S541 PolarHBondContact NZ-OG 3.18Å; D538-S541 VanDerWaalsContact CG-CB 3.44Å; D538-S541 VanDerWaalsContact CG-OG 3.22Å; D538-S541 PolarHBondContact O-N 3.38Å; D538-S541 PolarHBondContact OD1-N 3.43Å; D538-S541 VanDerWaalsContact OD1-N 3.14Å; D538-S541 WeakPolarHBondContact OD2-CB 3.31Å; D538-S541 PolarHBondContact OD2-OG 3.23Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 3.16Å; S541-V545 VanDerWaalsContact O-N 3.17Å
542A74.1Confident74.1Confident0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-68.5-43.5175.800000112.3A531 L534 A535 D538 L539 N540 D544 V545 F546 L558A531-A542 WeakPolarHBondContact O-CB 3.41Å; L534-A542 HydrophobicContact CB-CB 3.96Å; L534-A542 HydrophobicContact CD2-CB 4.41Å; L534-A542 HydrophobicContact CG-CB 4.01Å; A535-A542 HydrophobicContact CB-CB 3.87Å; D538-A542 PolarHBondContact O-N 2.8Å; L539-A542 PolarHBondContact O-N 2.95Å; N540-A542 VanDerWaalsContact C-N 3.28Å; N540-A542 PolarHBondContact O-N 3.1Å; A542-D544 VanDerWaalsContact C-N 3.34Å; A542-V545 WeakPolarHBondContact O-CB 3.19Å; A542-V545 PolarHBondContact O-N 3.46Å; A542-F546 WeakPolarHBondContact O-CD2 3.4Å; A542-F546 PolarHBondContact O-N 3Å; A542-L558 HydrophobicContact CB-CD2 3.78Å
543I74.6Confident74.4Confident0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-67.8-37.5176.5-61.1164.9000110.5L539 N540 V545 F546 A547 A555 L558 A559 L567 Y571L539-I543 HydrophobicContact CD1-CD1 3.89Å; L539-I543 HydrophobicContact CD1-CG1 4.14Å; L539-I543 HydrophobicContact CD2-CD1 4.44Å; L539-I543 HydrophobicContact CG-CD1 3.73Å; L539-I543 HydrophobicContact CG-CG1 4.39Å; L539-I543 VanDerWaalsContact O-CG1 3.22Å; L539-I543 WeakPolarHBondContact O-CG1 3.35Å; L539-I543 PolarHBondContact O-N 2.82Å; N540-I543 PolarHBondContact O-N 2.72Å; I543-V545 PolarHBondContact O-N 2.81Å; I543-F546 CarbonylContact O-C 3.54Å; I543-F546 WeakPolarHBondContact O-CA 3.16Å; I543-F546 WeakPolarHBondContact O-CB 3.49Å; I543-F546 PolarHBondContact O-N 3.1Å; I543-A547 WeakPolarHBondContact O-CB 3.46Å; I543-A547 PolarHBondContact O-N 2.92Å; I543-A555 HydrophobicContact CG2-CB 3.51Å; I543-L558 HydrophobicContact CG1-CD2 3.93Å; I543-A559 HydrophobicContact CD1-CB 3.89Å; I543-L567 HydrophobicContact CD1-CB 4.26Å; I543-L567 HydrophobicContact CD1-CD1 3.81Å; I543-Y571 HydrophobicContact CB-CE2 3.86Å; I543-Y571 HydrophobicContact CD1-CE2 4.05Å; I543-Y571 HydrophobicContact CG2-CD1 4.03Å; I543-Y571 HydrophobicContact CG2-CD2 3.54Å; I543-Y571 HydrophobicContact CG2-CE1 3.7Å; I543-Y571 HydrophobicContact CG2-CE2 3.22Å; I543-Y571 HydrophobicContact CG2-CG 3.97Å
544D77.2Confident74.7Confident73 Ų7348.2 Ų48.239%0.3927%0.266SS..Hα-helixtrans-61-33.1174-71-19000112N540 A542 A547 S548 Y571N540-D544 WeakPolarHBondContact O-CB 3.46Å; N540-D544 PolarHBondContact O-N 3.24Å; A542-D544 VanDerWaalsContact C-N 3.34Å; D544-A547 PolarHBondContact O-N 3.37Å; D544-S548 VanDerWaalsContact O-CB 3.27Å; D544-S548 WeakPolarHBondContact O-CB 2.97Å; D544-S548 PolarHBondContact O-N 3.34Å; D544-S548 PolarHBondContact O-OG 2.96Å; D544-Y571 PolarHBondContact OD1-OH 3.27Å
545V78.1Confident74.8Confident13 Ų1348.2 Ų48.28%0.07927%0.266CS..Hα-helixtrans-64.7-43.4172.3171.40000110.7K526 A531 L534 S541 A542 I543 S548 R549K526-V545 HydrophobicContact CG-CG2 4.27Å; A531-V545 HydrophobicContact CB-CG1 4.3Å; L534-V545 HydrophobicContact CD2-CG2 3.99Å; S541-V545 WeakPolarHBondContact O-CG2 3.34Å; S541-V545 PolarHBondContact O-N 3.16Å; S541-V545 VanDerWaalsContact O-N 3.17Å; A542-V545 WeakPolarHBondContact O-CB 3.19Å; A542-V545 PolarHBondContact O-N 3.46Å; I543-V545 PolarHBondContact O-N 2.81Å; V545-S548 PolarHBondContact O-OG 3.23Å; V545-R549 WeakPolarHBondContact O-CG 3.37Å; V545-R549 PolarHBondContact O-N 3.48Å
546F77.1Confident75.2Confident27 Ų2748.4 Ų48.412%0.11827%0.266CS..Hα-helixtrans-64.3-44.8174.1-78.5-71.4000112.3A531 A542 I543 S548 R549 G550 D551 A555 L558A531-F546 HydrophobicContact CB-CD2 3.81Å; A531-F546 HydrophobicContact CB-CE2 3.28Å; A531-F546 HydrophobicContact CB-CZ 3.74Å; A542-F546 WeakPolarHBondContact O-CD2 3.4Å; A542-F546 PolarHBondContact O-N 3Å; I543-F546 CarbonylContact O-C 3.54Å; I543-F546 WeakPolarHBondContact O-CA 3.16Å; I543-F546 WeakPolarHBondContact O-CB 3.49Å; I543-F546 PolarHBondContact O-N 3.1Å; F546-S548 VanDerWaalsContact C-N 3.35Å; F546-S548 PolarHBondContact O-N 3.25Å; F546-R549 PolarHBondContact O-N 3.22Å; F546-R549 VanDerWaalsContact O-N 3.12Å; F546-G550 PolarHBondContact O-N 2.93Å; F546-D551 HydrophobicContact CD1-CB 4.19Å; F546-D551 PolarHBondContact O-N 2.73Å; F546-A555 HydrophobicContact CB-CB 3.77Å; F546-L558 HydrophobicContact CD2-CD2 4.15Å; F546-L558 HydrophobicContact CE2-CD2 3.93Å
547A75.6Confident75.6Confident18 Ų1845 Ų4515%0.14925%0.253CS..Hα-helixtrans-60.6-42.2177.400000112I543 D544 R549 G550 W552 Y571I543-A547 WeakPolarHBondContact O-CB 3.46Å; I543-A547 PolarHBondContact O-N 2.92Å; D544-A547 PolarHBondContact O-N 3.37Å; A547-R549 PolarHBondContact O-N 3.03Å; A547-G550 PolarHBondContact O-N 3.49Å; A547-W552 HydrophobicContact CB-CE3 4.22Å; A547-W552 HydrophobicContact CB-CH2 3.98Å; A547-W552 HydrophobicContact CB-CZ3 3.53Å; A547-Y571 HydrophobicContact CB-CE1 4.2Å
548S78.5Confident76.1Confident99 Ų9942.4 Ų42.469%0.69224%0.237SC*.Hα-helixtrans-65.1-24.5177.571.80000113.3D544 V545 F546D544-S548 VanDerWaalsContact O-CB 3.27Å; D544-S548 WeakPolarHBondContact O-CB 2.97Å; D544-S548 PolarHBondContact O-N 3.34Å; D544-S548 PolarHBondContact O-OG 2.96Å; V545-S548 PolarHBondContact O-OG 3.23Å; F546-S548 VanDerWaalsContact C-N 3.35Å; F546-S548 PolarHBondContact O-N 3.25Å
549R77.5Confident76.3Confident148 Ų14841 Ų4156%0.55823%0.229SC*.THydrogen-bonded Turntrans-86.2-7173.3-68.6175.3178.3169.11.3113.5G529 V545 F546 A547 D551G529-R549 PolarHBondContact O-NH2 3.46Å; V545-R549 WeakPolarHBondContact O-CG 3.37Å; V545-R549 PolarHBondContact O-N 3.48Å; F546-R549 PolarHBondContact O-N 3.22Å; F546-R549 VanDerWaalsContact O-N 3.12Å; A547-R549 PolarHBondContact O-N 3.03Å; R549-D551 PolarHBondContact O-N 3.2Å
550G73.2Confident76.6Confident37 Ų3744.1 Ų44.138%0.38124%0.241SC..THydrogen-bonded Turntrans72.810.3-171.200000114.4F546 A547 W552F546-G550 PolarHBondContact O-N 2.93Å; A547-G550 PolarHBondContact O-N 3.49Å; G550-W552 VanDerWaalsContact C-N 3.34Å; G550-W552 PolarHBondContact O-N 2.9Å; G550-W552 VanDerWaalsContact O-N 3.14Å; G550-W552 PolarHBondContact O-NE1 3.39Å
551D80.1Confident77Confident71 Ų7147.6 Ų47.638%0.3826%0.255SS..  trans-87.375.4176.1-176.29000110.4F546 R549 N553 G554 A555F546-D551 HydrophobicContact CD1-CB 4.19Å; F546-D551 PolarHBondContact O-N 2.73Å; R549-D551 PolarHBondContact O-N 3.2Å; D551-N553 VanDerWaalsContact C-N 3.31Å; D551-N553 PolarHBondContact O-N 2.91Å; D551-G554 PolarHBondContact O-N 3.37Å; D551-G554 PolarHBondContact OD1-N 3.21Å; D551-A555 PolarHBondContact O-N 3.46Å; D551-A555 VanDerWaalsContact O-N 3.08Å
552W75.8Confident77.1Confident56 Ų5651.1 Ų51.121%0.21227%0.27CS..Hα-helixtrans-68.9-30.8-178-54105.6000113.1A547 G550 A555 M556 Y571 V575 K578A547-W552 HydrophobicContact CB-CE3 4.22Å; A547-W552 HydrophobicContact CB-CH2 3.98Å; A547-W552 HydrophobicContact CB-CZ3 3.53Å; G550-W552 VanDerWaalsContact C-N 3.34Å; G550-W552 PolarHBondContact O-N 2.9Å; G550-W552 VanDerWaalsContact O-N 3.14Å; G550-W552 PolarHBondContact O-NE1 3.39Å; W552-A555 WeakPolarHBondContact O-CB 3.35Å; W552-A555 PolarHBondContact O-N 3.22Å; W552-M556 HydrophobicContact CB-CE 4.19Å; W552-M556 WeakPolarHBondContact O-CB 3.23Å; W552-M556 VanDerWaalsContact O-CE 3.31Å; W552-M556 WeakPolarHBondContact O-CE 3.36Å; W552-M556 WeakPolarHBondContact O-CG 3.41Å; W552-M556 PolarHBondContact O-N 2.89Å; W552-Y571 HydrophobicContact CZ3-CD1 4.43Å; W552-V575 HydrophobicContact CB-CG2 3.48Å; W552-V575 VanDerWaalsContact CB-CG2 3.48Å; W552-V575 HydrophobicContact CD2-CG2 3.65Å; W552-V575 HydrophobicContact CE3-CG2 3.78Å; W552-V575 HydrophobicContact CG-CG2 3.52Å; W552-K578 HydrophobicContact CZ2-CD 4.33Å
553N75.8Confident77.1Confident125 Ų12558 Ų5867%0.66831%0.307SS*.Hα-helixtrans-67.7-41.5176.5-69.3-30.3000110.4D551 M556 S557D551-N553 VanDerWaalsContact C-N 3.31Å; D551-N553 PolarHBondContact O-N 2.91Å; N553-M556 PolarHBondContact O-N 3.49Å; N553-S557 VanDerWaalsContact O-CB 3.24Å; N553-S557 WeakPolarHBondContact O-CB 3.31Å; N553-S557 PolarHBondContact O-N 2.88Å; N553-S557 PolarHBondContact O-OG 3.4Å
554G76.6Confident77.2Confident9 Ų960.5 Ų60.59%0.09332%0.321CS..Hα-helixtrans-57.4-5117000000112D551 M556 S557 L558D551-G554 PolarHBondContact O-N 3.37Å; D551-G554 PolarHBondContact OD1-N 3.21Å; G554-M556 PolarHBondContact O-N 3.18Å; G554-S557 PolarHBondContact O-N 3.05Å; G554-S557 PolarHBondContact O-OG 2.98Å; G554-L558 WeakPolarHBondContact O-CB 3.49Å; G554-L558 PolarHBondContact O-N 3.42Å
555A75.2Confident77.1Confident0 Ų061.3 Ų61.30%033%0.328CS..Hα-helixtrans-53.3-50.4176.500000113.1I543 F546 D551 W552 A559I543-A555 HydrophobicContact CG2-CB 3.51Å; F546-A555 HydrophobicContact CB-CB 3.77Å; D551-A555 PolarHBondContact O-N 3.46Å; D551-A555 VanDerWaalsContact O-N 3.08Å; W552-A555 WeakPolarHBondContact O-CB 3.35Å; W552-A555 PolarHBondContact O-N 3.22Å; A555-A559 PolarHBondContact O-N 3.39Å; A555-A559 VanDerWaalsContact O-N 3.08Å
556M74Confident77.1Confident12 Ų1268.1 Ų68.16%0.05936%0.36CS..Hα-helixtrans-69.5-39180-71.3-176.9-7500112.1W552 N553 G554 L558 A559 K560 A572 V575W552-M556 HydrophobicContact CB-CE 4.19Å; W552-M556 WeakPolarHBondContact O-CB 3.23Å; W552-M556 VanDerWaalsContact O-CE 3.31Å; W552-M556 WeakPolarHBondContact O-CE 3.36Å; W552-M556 WeakPolarHBondContact O-CG 3.41Å; W552-M556 PolarHBondContact O-N 2.89Å; N553-M556 PolarHBondContact O-N 3.49Å; G554-M556 PolarHBondContact O-N 3.18Å; M556-L558 VanDerWaalsContact C-N 3.34Å; M556-L558 PolarHBondContact O-N 3.28Å; M556-A559 PolarHBondContact O-N 3.06Å; M556-K560 WeakPolarHBondContact O-CB 3.17Å; M556-K560 WeakPolarHBondContact O-CG 3.33Å; M556-K560 PolarHBondContact O-N 3.36Å; M556-A572 HydrophobicContact SD-CB 4.29Å; M556-V575 HydrophobicContact CE-CG2 4.42Å
557S78.5Confident77Confident56 Ų5667.6 Ų67.639%0.39236%0.358SS..Hα-helixtrans-64.1-39.8177.973.60000111.8N553 G554 K560 Q561N553-S557 VanDerWaalsContact O-CB 3.24Å; N553-S557 WeakPolarHBondContact O-CB 3.31Å; N553-S557 PolarHBondContact O-N 2.88Å; N553-S557 PolarHBondContact O-OG 3.4Å; G554-S557 PolarHBondContact O-N 3.05Å; G554-S557 PolarHBondContact O-OG 2.98Å; S557-K560 PolarHBondContact O-N 3.07Å; S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 VanDerWaalsContact O-CG 3.29Å; S557-Q561 WeakPolarHBondContact O-CG 3.45Å; S557-Q561 PolarHBondContact O-N 3Å
558L78.7Confident77.1Confident7 Ų767.1 Ų67.14%0.03735%0.353CS..Hα-helixtrans-66.4-42.9175.5-171.871.5000111.1A535 L539 A542 I543 F546 G554 M556 K560 Q561 H562A535-L558 HydrophobicContact CB-CD1 3.83Å; A535-L558 HydrophobicContact CB-CD2 3.8Å; A535-L558 HydrophobicContact CB-CG 4.21Å; L539-L558 HydrophobicContact CD1-CD2 3.96Å; L539-L558 HydrophobicContact CD1-CG 3.91Å; A542-L558 HydrophobicContact CB-CD2 3.78Å; I543-L558 HydrophobicContact CG1-CD2 3.93Å; F546-L558 HydrophobicContact CD2-CD2 4.15Å; F546-L558 HydrophobicContact CE2-CD2 3.93Å; G554-L558 WeakPolarHBondContact O-CB 3.49Å; G554-L558 PolarHBondContact O-N 3.42Å; M556-L558 VanDerWaalsContact C-N 3.34Å; M556-L558 PolarHBondContact O-N 3.28Å; L558-K560 PolarHBondContact O-N 2.85Å; L558-Q561 PolarHBondContact O-N 3.45Å; L558-H562 PolarHBondContact O-CD2 3.42Å; L558-H562 PolarHBondContact O-N 2.94Å
559A77.9Confident77.1Confident0 Ų063.3 Ų63.30%033%0.325CS..Hα-helixtrans-62.6-41.5175.200000112.3I543 A555 M556 H562 N563 N564 L567 V568I543-A559 HydrophobicContact CD1-CB 3.89Å; A555-A559 PolarHBondContact O-N 3.39Å; A555-A559 VanDerWaalsContact O-N 3.08Å; M556-A559 PolarHBondContact O-N 3.06Å; A559-H562 PolarHBondContact O-N 3.18Å; A559-N563 PolarHBondContact O-N 3.17Å; A559-N564 PolarHBondContact O-N 3.33Å; A559-N564 VanDerWaalsContact O-N 3.17Å; A559-L567 HydrophobicContact CB-CB 4.23Å; A559-V568 HydrophobicContact CB-CG2 3.58Å
560K79.2Confident77.2Confident92 Ų9261.6 Ų61.640%0.432%0.321SS..Hα-helixtrans-63.9-40.9174.2-77179.3172.5176.70111.5M556 S557 L558 H562 N563 V568 N594 N595M556-K560 WeakPolarHBondContact O-CB 3.17Å; M556-K560 WeakPolarHBondContact O-CG 3.33Å; M556-K560 PolarHBondContact O-N 3.36Å; S557-K560 PolarHBondContact O-N 3.07Å; L558-K560 PolarHBondContact O-N 2.85Å; K560-H562 VanDerWaalsContact C-N 3.28Å; K560-H562 PolarHBondContact O-N 3.41Å; K560-N563 PolarHBondContact O-N 3.39Å; K560-N563 VanDerWaalsContact O-N 3.09Å; K560-N563 PolarHBondContact O-OD1 3.38Å; K560-V568 HydrophobicContact CG-CG2 3.82Å; K560-N594 PolarHBondContact NZ-O 3.18Å; K560-N594 VanDerWaalsContact NZ-O 3.11Å; K560-N595 PolarHBondContact NZ-OD1 2.97Å
561Q83.4Confident77.4Confident147 Ų14760 Ų6069%0.68730%0.304SS*.Hα-helixtrans-61.2-34.2176.9-78.9176.78.800113.1S557 L558 N563S557-Q561 WeakPolarHBondContact O-CB 3.49Å; S557-Q561 VanDerWaalsContact O-CG 3.29Å; S557-Q561 WeakPolarHBondContact O-CG 3.45Å; S557-Q561 PolarHBondContact O-N 3Å; L558-Q561 PolarHBondContact O-N 3.45Å; Q561-N563 VanDerWaalsContact C-N 3.34Å
562H78.6Confident77.4Confident83 Ų8356.6 Ų56.638%0.38429%0.286SS..THydrogen-bonded Turntrans-89.87.7176.8-75-83000114L539 L558 A559 K560 N564L539-H562 HydrophobicContact CD1-CB 4.3Å; L539-H562 VanDerWaalsContact CD1-CD2 3.44Å; L539-H562 WeakPolarHBondContact CD1-CD2 3.17Å; L539-H562 HydrophobicContact CD2-CB 3.7Å; L558-H562 PolarHBondContact O-CD2 3.42Å; L558-H562 PolarHBondContact O-N 2.94Å; A559-H562 PolarHBondContact O-N 3.18Å; K560-H562 VanDerWaalsContact C-N 3.28Å; K560-H562 PolarHBondContact O-N 3.41Å; H562-N564 PolarHBondContact O-N 3.18Å
563N74.1Confident77.7Confident144 Ų14455.4 Ų55.477%0.7728%0.283SS*.THydrogen-bonded Turntrans52.731.4-178-66.4-35000114.2A559 K560 Q561 T565A559-N563 PolarHBondContact O-N 3.17Å; K560-N563 PolarHBondContact O-N 3.39Å; K560-N563 VanDerWaalsContact O-N 3.09Å; K560-N563 PolarHBondContact O-OD1 3.38Å; Q561-N563 VanDerWaalsContact C-N 3.34Å; N563-T565 PolarHBondContact O-N 3.09Å
564N76Confident78Confident53 Ų5353.2 Ų53.228%0.28327%0.271SS..  trans-96.488.7180-166.6-26000111.1L539 A559 H562 E566 L567 V568L539-N564 HydrophobicContact CD2-CB 4.16Å; A559-N564 PolarHBondContact O-N 3.33Å; A559-N564 VanDerWaalsContact O-N 3.17Å; H562-N564 PolarHBondContact O-N 3.18Å; N564-E566 VanDerWaalsContact C-N 3.28Å; N564-E566 PolarHBondContact O-N 2.94Å; N564-E566 PolarHBondContact OD1-N 3.04Å; N564-L567 HydrophobicContact CB-CB 4.37Å; N564-L567 HydrophobicContact CB-CD1 4.18Å; N564-L567 HydrophobicContact CB-CG 4.37Å; N564-L567 VanDerWaalsContact ND2-CD1 3.28Å; N564-L567 WeakPolarHBondContact ND2-CD1 3.41Å; N564-L567 PolarHBondContact O-N 2.83Å; N564-L567 PolarHBondContact OD1-N 3.1Å; N564-V568 WeakPolarHBondContact O-CG2 3.38Å; N564-V568 PolarHBondContact O-N 2.79Å; N564-V568 VanDerWaalsContact O-N 3.13Å
565T74.9Confident78.3Confident90 Ų9053.2 Ų53.255%0.55227%0.269SS*.Hα-helixtrans-60-34.7-178-45.90000112.9N563 L567 V568 N569N563-T565 PolarHBondContact O-N 3.09Å; T565-L567 VanDerWaalsContact C-N 3.35Å; T565-L567 PolarHBondContact O-N 2.85Å; T565-V568 PolarHBondContact O-N 2.88Å; T565-N569 WeakPolarHBondContact O-CB 3.25Å; T565-N569 VanDerWaalsContact O-CG 3.23Å; T565-N569 PolarHBondContact O-N 3.25Å; T565-N569 PolarHBondContact O-ND2 2.88Å
566E77.6Confident78.7Confident157 Ų15753.2 Ų53.273%0.73427%0.27SS*.Hα-helixtrans-64.6-40.6179.6-64.3-175.4172.600111.8N564 N569 K570N564-E566 VanDerWaalsContact C-N 3.28Å; N564-E566 PolarHBondContact O-N 2.94Å; N564-E566 PolarHBondContact OD1-N 3.04Å; E566-N569 PolarHBondContact O-N 3.09Å; E566-K570 WeakPolarHBondContact O-CB 3.27Å; E566-K570 PolarHBondContact O-N 2.84Å
567L76Confident79.3Confident15 Ų1558.8 Ų58.88%0.07929%0.29CS..Hα-helixtrans-71.6-41.1177.1-64.4178.7000111.4L539 N540 I543 A559 N564 T565 N569 K570 Y571L539-L567 HydrophobicContact CD2-CD1 3.67Å; L539-L567 HydrophobicContact CG-CD1 3.96Å; N540-L567 VanDerWaalsContact OD1-CD1 3.23Å; N540-L567 WeakPolarHBondContact OD1-CD1 3.42Å; N540-L567 WeakPolarHBondContact OD1-CD2 3.45Å; I543-L567 HydrophobicContact CD1-CB 4.26Å; I543-L567 HydrophobicContact CD1-CD1 3.81Å; A559-L567 HydrophobicContact CB-CB 4.23Å; N564-L567 HydrophobicContact CB-CB 4.37Å; N564-L567 HydrophobicContact CB-CD1 4.18Å; N564-L567 HydrophobicContact CB-CG 4.37Å; N564-L567 VanDerWaalsContact ND2-CD1 3.28Å; N564-L567 WeakPolarHBondContact ND2-CD1 3.41Å; N564-L567 PolarHBondContact O-N 2.83Å; N564-L567 PolarHBondContact OD1-N 3.1Å; T565-L567 VanDerWaalsContact C-N 3.35Å; T565-L567 PolarHBondContact O-N 2.85Å; L567-N569 VanDerWaalsContact C-N 3.29Å; L567-N569 PolarHBondContact O-N 3.25Å; L567-K570 PolarHBondContact O-N 3.47Å; L567-Y571 HydrophobicContact CB-CD2 4.36Å; L567-Y571 HydrophobicContact CB-CE2 4.36Å; L567-Y571 HydrophobicContact CD2-CE2 4.27Å; L567-Y571 WeakPolarHBondContact O-CD2 3.17Å; L567-Y571 PolarHBondContact O-N 3.22Å
568V76.6Confident79.6Confident9 Ų960.9 Ų60.96%0.05529%0.292CS..Hα-helixtrans-55.7-48.6173.3176.50000109.9A559 K560 N564 T565 Y571 A572A559-V568 HydrophobicContact CB-CG2 3.58Å; K560-V568 HydrophobicContact CG-CG2 3.82Å; N564-V568 WeakPolarHBondContact O-CG2 3.38Å; N564-V568 PolarHBondContact O-N 2.79Å; N564-V568 VanDerWaalsContact O-N 3.13Å; T565-V568 PolarHBondContact O-N 2.88Å; V568-Y571 PolarHBondContact O-N 3.08Å; V568-A572 WeakPolarHBondContact O-CB 3.5Å; V568-A572 PolarHBondContact O-N 3.39Å
569N78.6Confident80Confident18 Ų1861.7 Ų61.710%0.09630%0.296CS..Hα-helixtrans-59.6-50.9177-70.1-18.1000111.4T565 E566 L567 Y571 A572 L573 L597 S598T565-N569 WeakPolarHBondContact O-CB 3.25Å; T565-N569 VanDerWaalsContact O-CG 3.23Å; T565-N569 PolarHBondContact O-N 3.25Å; T565-N569 PolarHBondContact O-ND2 2.88Å; E566-N569 PolarHBondContact O-N 3.09Å; L567-N569 VanDerWaalsContact C-N 3.29Å; L567-N569 PolarHBondContact O-N 3.25Å; N569-Y571 PolarHBondContact O-N 3.37Å; N569-A572 PolarHBondContact O-N 3.01Å; N569-L573 WeakPolarHBondContact O-CB 3.5Å; N569-L573 WeakPolarHBondContact O-CG 3.1Å; N569-L573 PolarHBondContact O-N 3.41Å; N569-L597 HydrophobicContact CB-CD2 4.33Å; N569-L597 WeakPolarHBondContact OD1-CA 3.43Å; N569-L597 WeakPolarHBondContact OD1-CD2 3.47Å; N569-S598 WeakPolarHBondContact ND2-CB 3.2Å; N569-S598 PolarHBondContact ND2-OG 3.46Å; N569-S598 PolarHBondContact OD1-N 3.18Å
570K80.1Confident80.4Confident112 Ų11262.9 Ų62.949%0.48730%0.302SS..Hα-helixtrans-55.6-49.6-179.6-178.1-175.8174.9-169.70112.4E566 L567 L574E566-K570 WeakPolarHBondContact O-CB 3.27Å; E566-K570 PolarHBondContact O-N 2.84Å; L567-K570 PolarHBondContact O-N 3.47Å; K570-L574 WeakPolarHBondContact O-CG 3.23Å; K570-L574 PolarHBondContact O-N 3.5Å; K570-L574 VanDerWaalsContact O-N 3.16Å
571Y77.1Confident80.7Confident4 Ų464.7 Ų64.72%0.01632%0.316CS..Hα-helixtrans-76.2-34.5-177.5-69.6-75.1000112.4I543 D544 A547 W552 L567 V568 N569 L574 V575I543-Y571 HydrophobicContact CB-CE2 3.86Å; I543-Y571 HydrophobicContact CD1-CE2 4.05Å; I543-Y571 HydrophobicContact CG2-CD1 4.03Å; I543-Y571 HydrophobicContact CG2-CD2 3.54Å; I543-Y571 HydrophobicContact CG2-CE1 3.7Å; I543-Y571 HydrophobicContact CG2-CE2 3.22Å; I543-Y571 HydrophobicContact CG2-CG 3.97Å; D544-Y571 PolarHBondContact OD1-OH 3.27Å; A547-Y571 HydrophobicContact CB-CE1 4.2Å; W552-Y571 HydrophobicContact CZ3-CD1 4.43Å; L567-Y571 HydrophobicContact CB-CD2 4.36Å; L567-Y571 HydrophobicContact CB-CE2 4.36Å; L567-Y571 HydrophobicContact CD2-CE2 4.27Å; L567-Y571 WeakPolarHBondContact O-CD2 3.17Å; L567-Y571 PolarHBondContact O-N 3.22Å; V568-Y571 PolarHBondContact O-N 3.08Å; N569-Y571 PolarHBondContact O-N 3.37Å; Y571-L574 HydrophobicContact CD1-CD1 4.04Å; Y571-L574 HydrophobicContact CE1-CD1 4.44Å; Y571-L574 PolarHBondContact O-N 3.46Å; Y571-V575 VanDerWaalsContact O-CG2 3.27Å; Y571-V575 WeakPolarHBondContact O-CG2 3.25Å; Y571-V575 PolarHBondContact O-N 3.17Å
572A80.4Confident80.7Confident0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-63.2-40.7172.700000111.6M556 V568 N569 L574 V575 L576 N595 L597M556-A572 HydrophobicContact SD-CB 4.29Å; V568-A572 WeakPolarHBondContact O-CB 3.5Å; V568-A572 PolarHBondContact O-N 3.39Å; N569-A572 PolarHBondContact O-N 3.01Å; A572-L574 VanDerWaalsContact C-N 3.34Å; A572-L574 PolarHBondContact O-N 3.49Å; A572-V575 PolarHBondContact O-N 3.32Å; A572-L576 WeakPolarHBondContact O-CB 3.46Å; A572-L576 VanDerWaalsContact O-CG 3.22Å; A572-L576 WeakPolarHBondContact O-CG 3.37Å; A572-L576 PolarHBondContact O-N 2.83Å; A572-N595 HydrophobicContact CB-CB 4.14Å; A572-L597 HydrophobicContact CB-CD1 4.41Å; A572-L597 HydrophobicContact CB-CD2 3.43Å; A572-L597 VanDerWaalsContact CB-CD2 3.43Å; A572-L597 HydrophobicContact CB-CG 4.32Å
573L82.1Confident80.9Confident30 Ų3060.1 Ų60.116%0.15731%0.306CS..Hα-helixtrans-61.1-40.8172.6-67.3168.9000112N569 L576 R577 V603 M606N569-L573 WeakPolarHBondContact O-CB 3.5Å; N569-L573 WeakPolarHBondContact O-CG 3.1Å; N569-L573 PolarHBondContact O-N 3.41Å; L573-L576 PolarHBondContact O-N 3.37Å; L573-R577 WeakPolarHBondContact O-CB 3.45Å; L573-R577 PolarHBondContact O-N 3.08Å; L573-V603 HydrophobicContact CD2-CG2 3.48Å; L573-V603 VanDerWaalsContact CD2-CG2 3.48Å; L573-M606 HydrophobicContact CD2-CE 3.26Å; L573-M606 HydrophobicContact CG-CE 4.47Å
574L82.5Confident81.5Confident79 Ų7956.5 Ų56.541%0.41429%0.286SS..Hα-helixtrans-64.6-41.6175.8-72.4171000112.2K570 Y571 A572 R577 K578K570-L574 WeakPolarHBondContact O-CG 3.23Å; K570-L574 PolarHBondContact O-N 3.5Å; K570-L574 VanDerWaalsContact O-N 3.16Å; Y571-L574 HydrophobicContact CD1-CD1 4.04Å; Y571-L574 HydrophobicContact CE1-CD1 4.44Å; Y571-L574 PolarHBondContact O-N 3.46Å; A572-L574 VanDerWaalsContact C-N 3.34Å; A572-L574 PolarHBondContact O-N 3.49Å; L574-R577 PolarHBondContact O-N 3.18Å; L574-K578 WeakPolarHBondContact O-CB 3.31Å; L574-K578 PolarHBondContact O-N 3.18Å
575V82.9Confident81.9Confident9 Ų958.2 Ų58.26%0.05529%0.289CS..Hα-helixtrans-64.1-46.2175.5173.80000110.6W552 M556 Y571 A572 R577 K578 Q579 T591W552-V575 HydrophobicContact CB-CG2 3.48Å; W552-V575 VanDerWaalsContact CB-CG2 3.48Å; W552-V575 HydrophobicContact CD2-CG2 3.65Å; W552-V575 HydrophobicContact CE3-CG2 3.78Å; W552-V575 HydrophobicContact CG-CG2 3.52Å; M556-V575 HydrophobicContact CE-CG2 4.42Å; Y571-V575 VanDerWaalsContact O-CG2 3.27Å; Y571-V575 WeakPolarHBondContact O-CG2 3.25Å; Y571-V575 PolarHBondContact O-N 3.17Å; A572-V575 PolarHBondContact O-N 3.32Å; V575-R577 VanDerWaalsContact C-N 3.34Å; V575-R577 PolarHBondContact O-N 3.01Å; V575-K578 PolarHBondContact O-N 2.91Å; V575-Q579 HydrophobicContact CG1-CG 4.28Å; V575-Q579 WeakPolarHBondContact O-CB 3.4Å; V575-Q579 VanDerWaalsContact O-CG 3.31Å; V575-Q579 WeakPolarHBondContact O-CG 3.49Å; V575-Q579 PolarHBondContact O-N 3.06Å; V575-T591 HydrophobicContact CB-CG2 4.38Å; V575-T591 HydrophobicContact CG1-CG2 4.03Å
576L84.2Confident82.2Confident1 Ų156.9 Ų56.91%0.00528%0.279CS..Hα-helixtrans-58.5-46.3176.9-76.2172.2000111.8A572 L573 K578 Q579 L580 A588 T591 L592 L597 M606A572-L576 WeakPolarHBondContact O-CB 3.46Å; A572-L576 VanDerWaalsContact O-CG 3.22Å; A572-L576 WeakPolarHBondContact O-CG 3.37Å; A572-L576 PolarHBondContact O-N 2.83Å; L573-L576 PolarHBondContact O-N 3.37Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 2.97Å; L576-Q579 PolarHBondContact O-N 3.4Å; L576-L580 WeakPolarHBondContact O-CB 3.38Å; L576-L580 VanDerWaalsContact O-CG 3.31Å; L576-L580 WeakPolarHBondContact O-CG 3.43Å; L576-L580 PolarHBondContact O-N 3.25Å; L576-A588 HydrophobicContact CD2-CB 4.11Å; L576-A588 WeakPolarHBondContact CD2-O 3.35Å; L576-T591 HydrophobicContact CD1-CG2 4.48Å; L576-T591 HydrophobicContact CD2-CG2 3.69Å; L576-T591 HydrophobicContact CG-CG2 3.69Å; L576-L592 HydrophobicContact CD1-CD2 3.53Å; L576-L592 HydrophobicContact CD1-CG 4.01Å; L576-L592 HydrophobicContact CD2-CD2 4.19Å; L576-L592 HydrophobicContact CD2-CG 3.72Å; L576-L597 HydrophobicContact CD1-CD1 3.51Å; L576-M606 HydrophobicContact CB-SD 4.34Å; L576-M606 HydrophobicContact CD1-CE 4.49Å
577R85.8Confident82.5Confident128 Ų12854 Ų5448%0.48327%0.265SS..Hα-helixtrans-61.8-44.8178.6-161.7177.2-74.1-165.4-4110.8L573 L574 V575 Q579 L580 D581 E602L573-R577 WeakPolarHBondContact O-CB 3.45Å; L573-R577 PolarHBondContact O-N 3.08Å; L574-R577 PolarHBondContact O-N 3.18Å; V575-R577 VanDerWaalsContact C-N 3.34Å; V575-R577 PolarHBondContact O-N 3.01Å; R577-Q579 PolarHBondContact O-N 3.33Å; R577-L580 PolarHBondContact O-N 3.24Å; R577-D581 WeakPolarHBondContact O-CB 3.32Å; R577-D581 PolarHBondContact O-N 3.11Å; R577-E602 IonicContact CZ-OE1 2.95Å; R577-E602 IonicContact NH2-OE1 3.86Å; R577-E602 PolarHBondContact NH2-OE1 3.36Å
578K85.7Confident83Confident100 Ų10053.3 Ų53.344%0.43526%0.262SS..Hα-helixtrans-61.9-41174.8-171.5177.7-176.61780113W552 L574 V575 L576 D581 N582W552-K578 HydrophobicContact CZ2-CD 4.33Å; L574-K578 WeakPolarHBondContact O-CB 3.31Å; L574-K578 PolarHBondContact O-N 3.18Å; V575-K578 PolarHBondContact O-N 2.91Å; L576-K578 VanDerWaalsContact C-N 3.34Å; L576-K578 PolarHBondContact O-N 2.97Å; K578-D581 PolarHBondContact O-N 3.15Å; K578-N582 WeakPolarHBondContact O-CB 3.26Å; K578-N582 VanDerWaalsContact O-CG 3.29Å; K578-N582 PolarHBondContact O-N 3.19Å
579Q86.3Confident83.4Confident25 Ų2553.3 Ų53.312%0.11726%0.261CS..Hα-helixtrans-67.4-39.6177.5-74.9173-34.500111.5V575 L576 R577 N582 G583 D584 A588 T591V575-Q579 HydrophobicContact CG1-CG 4.28Å; V575-Q579 WeakPolarHBondContact O-CB 3.4Å; V575-Q579 VanDerWaalsContact O-CG 3.31Å; V575-Q579 WeakPolarHBondContact O-CG 3.49Å; V575-Q579 PolarHBondContact O-N 3.06Å; L576-Q579 PolarHBondContact O-N 3.4Å; R577-Q579 PolarHBondContact O-N 3.33Å; Q579-N582 PolarHBondContact O-N 3.02Å; Q579-G583 PolarHBondContact O-N 3.16Å; Q579-D584 PolarHBondContact O-N 3.44Å; Q579-A588 HydrophobicContact CB-CB 4Å; Q579-A588 VanDerWaalsContact OE1-CA 3.3Å; Q579-T591 PolarHBondContact NE2-OG1 2.95Å; Q579-T591 PolarHBondContact OE1-OG1 3.47Å
580L85.6Confident83.6Confident25 Ų2557.8 Ų57.813%0.13128%0.281CS..Hα-helixtrans-63.6-43.9173.4-76.7173.5000111.7L576 R577 N582 G583 Y585 M606 T609 V610L576-L580 WeakPolarHBondContact O-CB 3.38Å; L576-L580 VanDerWaalsContact O-CG 3.31Å; L576-L580 WeakPolarHBondContact O-CG 3.43Å; L576-L580 PolarHBondContact O-N 3.25Å; R577-L580 PolarHBondContact O-N 3.24Å; L580-N582 VanDerWaalsContact C-N 3.29Å; L580-N582 PolarHBondContact O-N 2.93Å; L580-G583 PolarHBondContact O-N 3.36Å; L580-Y585 HydrophobicContact CD2-CD1 3.87Å; L580-Y585 HydrophobicContact CD2-CE1 3.99Å; L580-M606 HydrophobicContact CD1-CB 3.92Å; L580-M606 HydrophobicContact CD1-CG 3.8Å; L580-M606 HydrophobicContact CD1-SD 4.02Å; L580-T609 HydrophobicContact CD2-CG2 4.22Å; L580-V610 HydrophobicContact CD2-CG2 3.56Å; L580-V610 HydrophobicContact CG-CG2 4.36Å
581D85.4Confident83.7Confident130 Ų13053.1 Ų53.170%0.69526%0.262SS*.Hα-helixtrans-63.4-35177.5-65.7-23000111.9R577 K578 G583R577-D581 WeakPolarHBondContact O-CB 3.32Å; R577-D581 PolarHBondContact O-N 3.11Å; K578-D581 PolarHBondContact O-N 3.15Å; D581-G583 VanDerWaalsContact C-N 3.34Å
582N84.9Confident83.9Confident105 Ų10553.3 Ų53.356%0.56126%0.264SS*.Hα-helixtrans-76.2-19.3174.2-72.6-9.7000113.7K578 Q579 L580 D584K578-N582 WeakPolarHBondContact O-CB 3.26Å; K578-N582 VanDerWaalsContact O-CG 3.29Å; K578-N582 PolarHBondContact O-N 3.19Å; Q579-N582 PolarHBondContact O-N 3.02Å; L580-N582 VanDerWaalsContact C-N 3.29Å; L580-N582 PolarHBondContact O-N 2.93Å; N582-D584 VanDerWaalsContact CB-OD2 3.26Å; N582-D584 WeakPolarHBondContact CB-OD2 3.26Å
583G82.3Confident83.9Confident29 Ų2956.7 Ų56.730%0.29928%0.279SS..THydrogen-bonded Turntrans81.617.3-172.800000114.7Q579 L580 D581 Y585Q579-G583 PolarHBondContact O-N 3.16Å; L580-G583 PolarHBondContact O-N 3.36Å; D581-G583 VanDerWaalsContact C-N 3.34Å; G583-Y585 VanDerWaalsContact C-N 3.26Å; G583-Y585 WeakPolarHBondContact O-CD2 3.27Å; G583-Y585 WeakPolarHBondContact O-CE2 3.4Å; G583-Y585 PolarHBondContact O-N 3.36Å
584D85.4Confident83.7Confident67 Ų6759.9 Ų59.936%0.35830%0.297SS..  trans-85.359.8-179.3-64.1-44000111.3Q579 N582 L586 E587 A588Q579-D584 PolarHBondContact O-N 3.44Å; N582-D584 VanDerWaalsContact CB-OD2 3.26Å; N582-D584 WeakPolarHBondContact CB-OD2 3.26Å; D584-L586 VanDerWaalsContact C-N 3.26Å; D584-L586 PolarHBondContact O-N 3.37Å; D584-E587 HydrophobicContact CB-CB 4.37Å; D584-E587 HydrophobicContact CB-CG 4.45Å; D584-E587 PolarHBondContact O-N 3.22Å; D584-E587 VanDerWaalsContact O-N 3.1Å; D584-A588 PolarHBondContact O-N 3.3Å
585Y84.5Confident82.8Confident89 Ų8956.8 Ų56.835%0.34928%0.28SS..Hα-helixtrans-60.4-30.6-171.5-52.9-69.6000114.4L580 G583 A588 M589 V610 A613L580-Y585 HydrophobicContact CD2-CD1 3.87Å; L580-Y585 HydrophobicContact CD2-CE1 3.99Å; G583-Y585 VanDerWaalsContact C-N 3.26Å; G583-Y585 WeakPolarHBondContact O-CD2 3.27Å; G583-Y585 WeakPolarHBondContact O-CE2 3.4Å; G583-Y585 PolarHBondContact O-N 3.36Å; Y585-A588 PolarHBondContact O-N 2.87Å; Y585-M589 WeakPolarHBondContact O-CB 3.43Å; Y585-M589 PolarHBondContact O-N 3.29Å; Y585-V610 WeakPolarHBondContact O-CG1 3.33Å; Y585-A613 HydrophobicContact CD1-CB 3.43Å; Y585-A613 VanDerWaalsContact CD1-CB 3.43Å; Y585-A613 HydrophobicContact CD2-CB 3.66Å; Y585-A613 HydrophobicContact CE1-CB 3.51Å; Y585-A613 HydrophobicContact CE2-CB 3.73Å; Y585-A613 HydrophobicContact CG-CB 3.51Å
586L82.9Confident82.1Confident62 Ų6263.4 Ų63.433%0.32532%0.315SS..Hα-helixtrans-66.6-40.6177.3-64.7178.5000111.9D584 Q590 T628D584-L586 VanDerWaalsContact C-N 3.26Å; D584-L586 PolarHBondContact O-N 3.37Å; L586-Q590 WeakPolarHBondContact O-CG 3.37Å; L586-Q590 PolarHBondContact O-N 3.29Å; L586-T628 HydrophobicContact CD2-CG2 3.31Å
587E83.7Confident81.5Confident98 Ų9864.2 Ų64.246%0.45832%0.32SS..Hα-helixtrans-75-37178.6-57.9178.9170.900110.1D584 M589 Q590 T591D584-E587 HydrophobicContact CB-CB 4.37Å; D584-E587 HydrophobicContact CB-CG 4.45Å; D584-E587 PolarHBondContact O-N 3.22Å; D584-E587 VanDerWaalsContact O-N 3.1Å; E587-M589 VanDerWaalsContact C-N 3.34Å; E587-M589 PolarHBondContact O-N 2.98Å; E587-Q590 PolarHBondContact O-N 2.96Å; E587-Q590 VanDerWaalsContact O-N 3.16Å; E587-T591 PolarHBondContact O-N 3.41Å; E587-T591 PolarHBondContact O-OG1 3.39Å
588A85.7Confident81Confident0 Ų060.8 Ų60.80%032%0.316CS..Hα-helixtrans-57.9-44.3171.900000112L576 Q579 D584 Y585 Q590 T591 L592 V610L576-A588 HydrophobicContact CD2-CB 4.11Å; L576-A588 WeakPolarHBondContact CD2-O 3.35Å; Q579-A588 HydrophobicContact CB-CB 4Å; Q579-A588 VanDerWaalsContact OE1-CA 3.3Å; D584-A588 PolarHBondContact O-N 3.3Å; Y585-A588 PolarHBondContact O-N 2.87Å; A588-Q590 VanDerWaalsContact C-N 3.34Å; A588-Q590 PolarHBondContact O-N 3.29Å; A588-T591 PolarHBondContact O-N 3.35Å; A588-L592 WeakPolarHBondContact O-CG 3.22Å; A588-L592 PolarHBondContact O-N 3.03Å; A588-V610 HydrophobicContact CB-CG2 3.81Å
589M84.6Confident80.6Confident8 Ų858.8 Ų58.84%0.03931%0.309CS..Hα-helixtrans-61.2-41.4174.9-176.9-164.368.300112.1Y585 E587 L592 H593 V610 I614 A631 L632Y585-M589 WeakPolarHBondContact O-CB 3.43Å; Y585-M589 PolarHBondContact O-N 3.29Å; E587-M589 VanDerWaalsContact C-N 3.34Å; E587-M589 PolarHBondContact O-N 2.98Å; M589-L592 WeakPolarHBondContact O-CB 3.02Å; M589-L592 PolarHBondContact O-N 3.4Å; M589-H593 WeakPolarHBondContact O-CB 3.39Å; M589-H593 PolarHBondContact O-N 3.47Å; M589-V610 HydrophobicContact CB-CG1 3.92Å; M589-I614 HydrophobicContact CB-CD1 4.15Å; M589-I614 HydrophobicContact CG-CD1 4.32Å; M589-I614 HydrophobicContact SD-CD1 3.81Å; M589-A631 HydrophobicContact CE-CB 3.44Å; M589-A631 VanDerWaalsContact CE-CB 3.44Å; M589-A631 HydrophobicContact SD-CB 4.3Å; M589-L632 HydrophobicContact SD-CB 3.81Å; M589-L632 HydrophobicContact SD-CD1 4.16Å
590Q83.3Confident80.3Confident112 Ų11260.2 Ų60.252%0.52332%0.32SS..Hα-helixtrans-65.4-39.6175.9-70.1176.7-0.100111.8L586 E587 A588 L592 H593 N594L586-Q590 WeakPolarHBondContact O-CG 3.37Å; L586-Q590 PolarHBondContact O-N 3.29Å; E587-Q590 PolarHBondContact O-N 2.96Å; E587-Q590 VanDerWaalsContact O-N 3.16Å; A588-Q590 VanDerWaalsContact C-N 3.34Å; A588-Q590 PolarHBondContact O-N 3.29Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; Q590-H593 PolarHBondContact O-N 2.9Å; Q590-N594 VanDerWaalsContact O-CB 3.28Å; Q590-N594 WeakPolarHBondContact O-CB 3.47Å; Q590-N594 PolarHBondContact O-N 2.96Å; Q590-N594 PolarHBondContact O-ND2 2.95Å; Q590-N594 VanDerWaalsContact O-ND2 3.11Å
591T81.3Confident80.1Confident14 Ų1463.9 Ų63.99%0.08634%0.34CS..Hα-helixtrans-64.4-37.4175-560000111.6V575 L576 Q579 E587 A588 N595V575-T591 HydrophobicContact CB-CG2 4.38Å; V575-T591 HydrophobicContact CG1-CG2 4.03Å; L576-T591 HydrophobicContact CD1-CG2 4.48Å; L576-T591 HydrophobicContact CD2-CG2 3.69Å; L576-T591 HydrophobicContact CG-CG2 3.69Å; Q579-T591 PolarHBondContact NE2-OG1 2.95Å; Q579-T591 PolarHBondContact OE1-OG1 3.47Å; E587-T591 PolarHBondContact O-N 3.41Å; E587-T591 PolarHBondContact O-OG1 3.39Å; A588-T591 PolarHBondContact O-N 3.35Å; T591-N595 WeakPolarHBondContact CG2-ND2 3.15Å; T591-N595 WeakPolarHBondContact O-CB 3.35Å; T591-N595 PolarHBondContact O-ND2 2.54Å
592L82.4Confident80Confident9 Ų961.4 Ų61.45%0.04732%0.324CS..Hα-helixtrans-64.1-44173.8-77.8168.4000111.7L576 A588 M589 Q590 L597 V603 A607 V610 Y635L576-L592 HydrophobicContact CD1-CD2 3.53Å; L576-L592 HydrophobicContact CD1-CG 4.01Å; L576-L592 HydrophobicContact CD2-CD2 4.19Å; L576-L592 HydrophobicContact CD2-CG 3.72Å; A588-L592 WeakPolarHBondContact O-CG 3.22Å; A588-L592 PolarHBondContact O-N 3.03Å; M589-L592 WeakPolarHBondContact O-CB 3.02Å; M589-L592 PolarHBondContact O-N 3.4Å; Q590-L592 VanDerWaalsContact C-N 3.33Å; L592-L597 HydrophobicContact CD2-CD1 4.03Å; L592-V603 HydrophobicContact CD2-CG1 4Å; L592-A607 HydrophobicContact CD1-CB 4.19Å; L592-V610 HydrophobicContact CD1-CB 4.32Å; L592-V610 HydrophobicContact CD1-CG2 4.03Å; L592-Y635 HydrophobicContact CB-CD2 4.31Å; L592-Y635 HydrophobicContact CB-CE2 3.7Å; L592-Y635 HydrophobicContact CD1-CE1 4.45Å
593H80.8Confident80Confident70 Ų7056.6 Ų56.632%0.32430%0.298SS..Hα-helixtrans-74.4-37-176.6-172.458.6000113.5M589 Q590 Y635 D638M589-H593 WeakPolarHBondContact O-CB 3.39Å; M589-H593 PolarHBondContact O-N 3.47Å; Q590-H593 PolarHBondContact O-N 2.9Å; H593-Y635 HydrophobicContact CB-CD2 4.08Å; H593-D638 IonicContact CE1-OD2 3.12Å; H593-D638 PolarHBondContact CE1-OD2 2.95Å; H593-D638 IonicContact ND1-OD2 2.91Å
594N76.7Confident80.2Confident98 Ų9855.3 Ų55.352%0.52428%0.284SS..Hα-helixtrans-85.9-9.9-169.7-69.2-26.8000115.6K560 Q590K560-N594 PolarHBondContact NZ-O 3.18Å; K560-N594 VanDerWaalsContact NZ-O 3.11Å; Q590-N594 VanDerWaalsContact O-CB 3.28Å; Q590-N594 WeakPolarHBondContact O-CB 3.47Å; Q590-N594 PolarHBondContact O-N 2.96Å; Q590-N594 PolarHBondContact O-ND2 2.95Å; Q590-N594 VanDerWaalsContact O-ND2 3.11Å
595N64.1Low80.2Confident13 Ų1356.2 Ų56.27%0.0729%0.289CS..THydrogen-bonded Turntrans-113.210-164.7-72.2-46.2000115.8K560 A572 T591 L597K560-N595 PolarHBondContact NZ-OD1 2.97Å; A572-N595 HydrophobicContact CB-CB 4.14Å; T591-N595 WeakPolarHBondContact CG2-ND2 3.15Å; T591-N595 WeakPolarHBondContact O-CB 3.35Å; T591-N595 PolarHBondContact O-ND2 2.54Å; N595-L597 HydrophobicContact CB-CD2 4.4Å; N595-L597 HydrophobicContact CB-CG 4.1Å; N595-L597 PolarHBondContact O-N 2.93Å
596D68.5Low80.4Confident148 Ų14852.8 Ų52.879%0.79128%0.276SS*.THydrogen-bonded Turntrans42.744.8178.3-63.7-29.9000112.3S598D596-S598 PolarHBondContact O-N 3.24Å
597L71.3Confident80.6Confident18 Ų1849.8 Ų49.89%0.09426%0.261CS..  trans-62.6135.7-173.3-73168.2000110.3N569 A572 L576 L592 N595 L599 V603N569-L597 HydrophobicContact CB-CD2 4.33Å; N569-L597 WeakPolarHBondContact OD1-CA 3.43Å; N569-L597 WeakPolarHBondContact OD1-CD2 3.47Å; A572-L597 HydrophobicContact CB-CD1 4.41Å; A572-L597 HydrophobicContact CB-CD2 3.43Å; A572-L597 VanDerWaalsContact CB-CD2 3.43Å; A572-L597 HydrophobicContact CB-CG 4.32Å; L576-L597 HydrophobicContact CD1-CD1 3.51Å; L592-L597 HydrophobicContact CD2-CD1 4.03Å; N595-L597 HydrophobicContact CB-CD2 4.4Å; N595-L597 HydrophobicContact CB-CG 4.1Å; N595-L597 PolarHBondContact O-N 2.93Å; L597-L599 PolarHBondContact O-N 3.24Å; L597-V603 HydrophobicContact CB-CG2 4.48Å
598S74.8Confident81Confident57 Ų5747.7 Ų47.740%0.39925%0.25SS..  trans-61.1125.3171.958.60000109.9N569 D596 T600N569-S598 WeakPolarHBondContact ND2-CB 3.2Å; N569-S598 PolarHBondContact ND2-OG 3.46Å; N569-S598 PolarHBondContact OD1-N 3.18Å; D596-S598 PolarHBondContact O-N 3.24Å; S598-T600 VanDerWaalsContact C-N 3.31Å; S598-T600 PolarHBondContact O-N 3.2Å
599L78.1Confident81.2Confident57 Ų5751.3 Ų51.330%0.29827%0.272SS..  trans-67.183.9-179.4-62178.2000111.5L597 L604 L639 M643 F648L597-L599 PolarHBondContact O-N 3.24Å; L599-L604 HydrophobicContact CD2-CD2 4.46Å; L599-L639 HydrophobicContact CD1-CD1 4.5Å; L599-L639 HydrophobicContact CD2-CD1 3.34Å; L599-M643 HydrophobicContact CD1-CG 4.06Å; L599-F648 HydrophobicContact CB-CE1 4.2Å; L599-F648 HydrophobicContact CB-CZ 3.7Å; L599-F648 HydrophobicContact CD1-CE2 4.39Å; L599-F648 HydrophobicContact CD1-CZ 4.09Å
600T78.9Confident81.4Confident56 Ų5651 Ų5134%0.34427%0.271SS..  trans-96.5158.9169.464.50000109.8S598 E602 V603 L604S598-T600 VanDerWaalsContact C-N 3.31Å; S598-T600 PolarHBondContact O-N 3.2Å; T600-E602 PolarHBondContact O-N 3.16Å; T600-E602 VanDerWaalsContact O-N 3.16Å; T600-V603 WeakPolarHBondContact O-CB 3.44Å; T600-V603 PolarHBondContact O-N 3.35Å; T600-V603 WeakPolarHBondContact OG1-CG2 3.47Å; T600-V603 PolarHBondContact OG1-N 2.92Å; T600-L604 PolarHBondContact O-N 3.22Å
601N82.1Confident81.9Confident102 Ų10245.7 Ų45.755%0.54525%0.246SC..Hα-helixtrans-55.9-33.3175.7-71.1-22.1000112.4L604 D605N601-L604 PolarHBondContact O-N 3Å; N601-D605 WeakPolarHBondContact O-CB 3.43Å; N601-D605 PolarHBondContact O-N 3.29Å
602E83.4Confident82.2Confident78 Ų7847.4 Ų47.436%0.36426%0.259SS..Hα-helixtrans-62.9-43.1175.6-166.3-172.3161.700112.2R577 T600 L604 D605 M606R577-E602 IonicContact CZ-OE1 2.95Å; R577-E602 IonicContact NH2-OE1 3.86Å; R577-E602 PolarHBondContact NH2-OE1 3.36Å; T600-E602 PolarHBondContact O-N 3.16Å; T600-E602 VanDerWaalsContact O-N 3.16Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-D605 PolarHBondContact O-N 3.25Å; E602-M606 HydrophobicContact CG-CE 4.15Å; E602-M606 WeakPolarHBondContact O-CB 3.43Å; E602-M606 WeakPolarHBondContact O-CG 3.26Å; E602-M606 PolarHBondContact O-N 3Å
603V84.7Confident82.5Confident4 Ų447.7 Ų47.72%0.02426%0.263CS..Hα-helixtrans-64-42.1174.7175.40000110.6L573 L592 L597 T600 M606 A607L573-V603 HydrophobicContact CD2-CG2 3.48Å; L573-V603 VanDerWaalsContact CD2-CG2 3.48Å; L592-V603 HydrophobicContact CD2-CG1 4Å; L597-V603 HydrophobicContact CB-CG2 4.48Å; T600-V603 WeakPolarHBondContact O-CB 3.44Å; T600-V603 PolarHBondContact O-N 3.35Å; T600-V603 WeakPolarHBondContact OG1-CG2 3.47Å; T600-V603 PolarHBondContact OG1-N 2.92Å; V603-M606 PolarHBondContact O-N 2.8Å; V603-A607 VanDerWaalsContact O-CB 3.27Å; V603-A607 WeakPolarHBondContact O-CB 3.41Å; V603-A607 PolarHBondContact O-N 3.17Å
604L85.8Confident82.9Confident1 Ų144.6 Ų44.61%0.00525%0.248CC..Hα-helixtrans-65.4-40.7179.9-63.9178.7000112.1L599 T600 N601 E602 A607 K608 L639 M643 F648 F656L599-L604 HydrophobicContact CD2-CD2 4.46Å; T600-L604 PolarHBondContact O-N 3.22Å; N601-L604 PolarHBondContact O-N 3Å; E602-L604 VanDerWaalsContact C-N 3.34Å; L604-A607 PolarHBondContact O-N 3.42Å; L604-K608 WeakPolarHBondContact O-CG 3.4Å; L604-K608 PolarHBondContact O-N 3.3Å; L604-L639 HydrophobicContact CD2-CD1 3.99Å; L604-M643 HydrophobicContact CD2-SD 4.02Å; L604-F648 HydrophobicContact CD1-CD1 4.08Å; L604-F648 HydrophobicContact CD1-CE1 4Å; L604-F656 HydrophobicContact CB-CE2 4.4Å; L604-F656 HydrophobicContact CB-CZ 4.19Å; L604-F656 HydrophobicContact CD2-CE2 3.89Å; L604-F656 HydrophobicContact CD2-CZ 3.98Å
605D87.5Confident83.5Confident86 Ų8639.9 Ų39.946%0.4622%0.223SC..Hα-helixtrans-69.1-39.2177.3-70.3-23.7000111.9N601 E602 K608 T609N601-D605 WeakPolarHBondContact O-CB 3.43Å; N601-D605 PolarHBondContact O-N 3.29Å; E602-D605 PolarHBondContact O-N 3.25Å; D605-K608 PolarHBondContact O-N 2.83Å; D605-K608 IonicContact OD1-NZ 2.75Å; D605-T609 PolarHBondContact O-N 2.88Å; D605-T609 VanDerWaalsContact O-N 3.08Å; D605-T609 PolarHBondContact O-OG1 3.11Å
606M87.1Confident84.6Confident17 Ų1743 Ų438%0.08424%0.239CC..Hα-helixtrans-64.2-41.7171-74.2-168.1-65.400111.6L573 L576 L580 E602 V603 T609 V610L573-M606 HydrophobicContact CD2-CE 3.26Å; L573-M606 HydrophobicContact CG-CE 4.47Å; L576-M606 HydrophobicContact CB-SD 4.34Å; L576-M606 HydrophobicContact CD1-CE 4.49Å; L580-M606 HydrophobicContact CD1-CB 3.92Å; L580-M606 HydrophobicContact CD1-CG 3.8Å; L580-M606 HydrophobicContact CD1-SD 4.02Å; E602-M606 HydrophobicContact CG-CE 4.15Å; E602-M606 WeakPolarHBondContact O-CB 3.43Å; E602-M606 WeakPolarHBondContact O-CG 3.26Å; E602-M606 PolarHBondContact O-N 3Å; V603-M606 PolarHBondContact O-N 2.8Å; M606-T609 WeakPolarHBondContact O-CB 3.41Å; M606-T609 PolarHBondContact O-N 3.46Å; M606-V610 WeakPolarHBondContact O-CG2 3.49Å; M606-V610 PolarHBondContact O-N 2.92Å
607A88.5Confident85.4Confident0 Ų041.5 Ų41.50%023%0.228CC..Hα-helixtrans-60.9-45.7175.800000111.4L592 V603 L604 T609 V610 I611 Y635L592-A607 HydrophobicContact CD1-CB 4.19Å; V603-A607 VanDerWaalsContact O-CB 3.27Å; V603-A607 WeakPolarHBondContact O-CB 3.41Å; V603-A607 PolarHBondContact O-N 3.17Å; L604-A607 PolarHBondContact O-N 3.42Å; A607-T609 VanDerWaalsContact C-N 3.26Å; A607-T609 PolarHBondContact O-N 3.35Å; A607-V610 PolarHBondContact O-N 2.9Å; A607-I611 HydrophobicContact CB-CD1 4.42Å; A607-I611 WeakPolarHBondContact O-CB 3.24Å; A607-I611 VanDerWaalsContact O-CD1 3.26Å; A607-I611 WeakPolarHBondContact O-CD1 3.39Å; A607-I611 WeakPolarHBondContact O-CG1 3.39Å; A607-I611 PolarHBondContact O-N 2.92Å; A607-Y635 HydrophobicContact CB-CE1 4.37Å; A607-Y635 WeakPolarHBondContact CB-OH 3.42Å
608K90.6Very high86Confident54 Ų5446.3 Ų46.324%0.23525%0.245CC..Hα-helixtrans-54.6-44.2173.4-74.4173-177.8172.10111.7L604 D605 I611 S612 F655 F656L604-K608 WeakPolarHBondContact O-CG 3.4Å; L604-K608 PolarHBondContact O-N 3.3Å; D605-K608 PolarHBondContact O-N 2.83Å; D605-K608 IonicContact OD1-NZ 2.75Å; K608-I611 PolarHBondContact O-N 3.35Å; K608-S612 WeakPolarHBondContact O-CB 3.37Å; K608-S612 PolarHBondContact O-N 3.12Å; K608-S612 PolarHBondContact O-OG 2.8Å; K608-F655 HydrophobicContact CD-CE1 4.34Å; K608-F655 HydrophobicContact CG-CD1 4.49Å; K608-F655 HydrophobicContact CG-CE1 3.8Å; K608-F655 HydrophobicContact CG-CZ 4.48Å; K608-F656 HydrophobicContact CD-CZ 4.46Å; K608-F656 HydrophobicContact CG-CE1 4.03Å; K608-F656 HydrophobicContact CG-CZ 3.83Å
609T89.6Confident86.4Confident75 Ų7544.3 Ų44.346%0.4623%0.229SC..Hα-helixtrans-62.8-45.4178.6-53.20000111.6L580 D605 M606 A607 A613L580-T609 HydrophobicContact CD2-CG2 4.22Å; D605-T609 PolarHBondContact O-N 2.88Å; D605-T609 VanDerWaalsContact O-N 3.08Å; D605-T609 PolarHBondContact O-OG1 3.11Å; M606-T609 WeakPolarHBondContact O-CB 3.41Å; M606-T609 PolarHBondContact O-N 3.46Å; A607-T609 VanDerWaalsContact C-N 3.26Å; A607-T609 PolarHBondContact O-N 3.35Å; T609-A613 VanDerWaalsContact O-CB 3.3Å; T609-A613 WeakPolarHBondContact O-CB 3.41Å; T609-A613 PolarHBondContact O-N 2.9Å
610V90.8Very high86.7Confident2 Ų244.4 Ų44.41%0.01223%0.233CC..Hα-helixtrans-62.2-46.2175.2175.90000111.2L580 Y585 A588 M589 L592 M606 A607 A613 I614L580-V610 HydrophobicContact CD2-CG2 3.56Å; L580-V610 HydrophobicContact CG-CG2 4.36Å; Y585-V610 WeakPolarHBondContact O-CG1 3.33Å; A588-V610 HydrophobicContact CB-CG2 3.81Å; M589-V610 HydrophobicContact CB-CG1 3.92Å; L592-V610 HydrophobicContact CD1-CB 4.32Å; L592-V610 HydrophobicContact CD1-CG2 4.03Å; M606-V610 WeakPolarHBondContact O-CG2 3.49Å; M606-V610 PolarHBondContact O-N 2.92Å; A607-V610 PolarHBondContact O-N 2.9Å; V610-A613 PolarHBondContact O-N 3.37Å; V610-I614 HydrophobicContact CG1-CD1 3.77Å; V610-I614 HydrophobicContact CG1-CG1 4.42Å; V610-I614 VanDerWaalsContact O-CG1 3.32Å; V610-I614 WeakPolarHBondContact O-CG1 3.41Å; V610-I614 PolarHBondContact O-N 3.35Å
611I91.9Very high87Confident1 Ų147.6 Ų47.61%0.00524%0.239CC..Hα-helixtrans-60.8-52.3-178.9-67.4156.8000110.3A607 K608 A613 I614 F615 L632 L636 F656 C659A607-I611 HydrophobicContact CB-CD1 4.42Å; A607-I611 WeakPolarHBondContact O-CB 3.24Å; A607-I611 VanDerWaalsContact O-CD1 3.26Å; A607-I611 WeakPolarHBondContact O-CD1 3.39Å; A607-I611 WeakPolarHBondContact O-CG1 3.39Å; A607-I611 PolarHBondContact O-N 2.92Å; K608-I611 PolarHBondContact O-N 3.35Å; I611-A613 VanDerWaalsContact C-N 3.32Å; I611-A613 PolarHBondContact O-N 3.13Å; I611-I614 PolarHBondContact O-N 3.08Å; I611-F615 HydrophobicContact CG2-CD2 3.65Å; I611-F615 HydrophobicContact CG2-CE2 3.23Å; I611-F615 HydrophobicContact CG2-CZ 3.82Å; I611-F615 WeakPolarHBondContact O-CG 3.32Å; I611-F615 PolarHBondContact O-N 2.89Å; I611-L632 HydrophobicContact CG1-CD1 4.03Å; I611-L636 HydrophobicContact CD1-CD2 3.65Å; I611-L636 HydrophobicContact CG1-CD2 4.29Å; I611-F656 HydrophobicContact CD1-CD1 3.94Å; I611-F656 HydrophobicContact CD1-CE1 3.7Å; I611-C659 HydrophobicContact CG2-CB 4.28Å
612S89Confident87.2Confident49 Ų4945.7 Ų45.734%0.34323%0.229SC..Hα-helixtrans-59.1-42.6177.5-64.40000111.6K608 I614 F615 D616K608-S612 WeakPolarHBondContact O-CB 3.37Å; K608-S612 PolarHBondContact O-N 3.12Å; K608-S612 PolarHBondContact O-OG 2.8Å; S612-I614 PolarHBondContact O-N 3.32Å; S612-F615 PolarHBondContact O-N 3.06Å; S612-D616 WeakPolarHBondContact O-CB 3.4Å; S612-D616 PolarHBondContact O-N 3.08Å
613A87.8Confident87.5Confident16 Ų1645.5 Ų45.513%0.13223%0.228CC..Hα-helixtrans-64.6-36.3177.600000113.3Y585 T609 V610 I611 H617Y585-A613 HydrophobicContact CD1-CB 3.43Å; Y585-A613 VanDerWaalsContact CD1-CB 3.43Å; Y585-A613 HydrophobicContact CD2-CB 3.66Å; Y585-A613 HydrophobicContact CE1-CB 3.51Å; Y585-A613 HydrophobicContact CE2-CB 3.73Å; Y585-A613 HydrophobicContact CG-CB 3.51Å; T609-A613 VanDerWaalsContact O-CB 3.3Å; T609-A613 WeakPolarHBondContact O-CB 3.41Å; T609-A613 PolarHBondContact O-N 2.9Å; V610-A613 PolarHBondContact O-N 3.37Å; I611-A613 VanDerWaalsContact C-N 3.32Å; I611-A613 PolarHBondContact O-N 3.13Å; A613-H617 WeakPolarHBondContact O-CB 3.2Å; A613-H617 PolarHBondContact O-N 2.96Å; A613-H617 VanDerWaalsContact O-N 3.17Å
614I89.4Confident87.7Confident4 Ų451.7 Ų51.72%0.02126%0.255CS..Hα-helixtrans-68.8-38173.9-67.2169.1000110.8M589 V610 I611 S612 H617 L619 T628 Y629 L632M589-I614 HydrophobicContact CB-CD1 4.15Å; M589-I614 HydrophobicContact CG-CD1 4.32Å; M589-I614 HydrophobicContact SD-CD1 3.81Å; V610-I614 HydrophobicContact CG1-CD1 3.77Å; V610-I614 HydrophobicContact CG1-CG1 4.42Å; V610-I614 VanDerWaalsContact O-CG1 3.32Å; V610-I614 WeakPolarHBondContact O-CG1 3.41Å; V610-I614 PolarHBondContact O-N 3.35Å; I611-I614 PolarHBondContact O-N 3.08Å; S612-I614 PolarHBondContact O-N 3.32Å; I614-H617 PolarHBondContact O-N 3.1Å; I614-L619 HydrophobicContact CG2-CD1 4.2Å; I614-T628 HydrophobicContact CG2-CG2 4.15Å; I614-Y629 HydrophobicContact CG2-CE1 4.5Å; I614-L632 HydrophobicContact CB-CD2 4.43Å; I614-L632 HydrophobicContact CD1-CD1 4.32Å; I614-L632 HydrophobicContact CG2-CD2 3.92Å
615F90.7Very high87.8Confident0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-69.6-37.1176.9-69.1-24.2000113.4I611 S612 H617 Y629 L632 C659 A662 A663 V698 L699 R703I611-F615 HydrophobicContact CG2-CD2 3.65Å; I611-F615 HydrophobicContact CG2-CE2 3.23Å; I611-F615 HydrophobicContact CG2-CZ 3.82Å; I611-F615 WeakPolarHBondContact O-CG 3.32Å; I611-F615 PolarHBondContact O-N 2.89Å; S612-F615 PolarHBondContact O-N 3.06Å; F615-H617 VanDerWaalsContact C-N 3.28Å; F615-H617 PolarHBondContact O-N 3.16Å; F615-Y629 AromaticContact CD1-CE1 3.94Å; F615-Y629 HydrophobicContact CD1-CE1 3.94Å; F615-Y629 AromaticContact CE1-CE1 3.99Å; F615-Y629 HydrophobicContact CE1-CE1 3.99Å; F615-L632 HydrophobicContact CD1-CD2 4.21Å; F615-L632 HydrophobicContact CE1-CD2 3.54Å; F615-L632 HydrophobicContact CZ-CD2 4.02Å; F615-C659 HydrophobicContact CE2-CB 4.24Å; F615-C659 HydrophobicContact CZ-CB 4.45Å; F615-A662 HydrophobicContact CZ-CB 4.35Å; F615-A663 HydrophobicContact CE1-CB 4.14Å; F615-A663 HydrophobicContact CZ-CB 4.2Å; F615-V698 HydrophobicContact CD2-CG1 3.57Å; F615-V698 HydrophobicContact CE2-CG1 3.3Å; F615-V698 HydrophobicContact CZ-CG1 4.41Å; F615-L699 HydrophobicContact CB-CD2 3.91Å; F615-L699 HydrophobicContact CD1-CD2 3.56Å; F615-L699 HydrophobicContact CD2-CD2 3.91Å; F615-L699 HydrophobicContact CE1-CD2 3.94Å; F615-L699 HydrophobicContact CE2-CD2 4.27Å; F615-L699 HydrophobicContact CG-CD2 3.53Å; F615-L699 HydrophobicContact CZ-CD2 4.28Å; F615-R703 PolarHBondContact O-NH1 3.33Å
616D86.3Confident88Confident77 Ų7747.7 Ų47.741%0.41223%0.233SC..Hα-helixtrans-69.2-26.3174.9-69.5-15.6000112S612 P700S612-D616 WeakPolarHBondContact O-CB 3.4Å; S612-D616 PolarHBondContact O-N 3.08Å; D616-P700 WeakPolarHBondContact OD1-CG 3.35Å
617H84.7Confident88.3Confident118 Ų11849.7 Ų49.755%0.54625%0.249SC..SBendtrans-77.2128.3-179.1-161.266.6000112.7A613 I614 F615 L619 R703A613-H617 WeakPolarHBondContact O-CB 3.2Å; A613-H617 PolarHBondContact O-N 2.96Å; A613-H617 VanDerWaalsContact O-N 3.17Å; I614-H617 PolarHBondContact O-N 3.1Å; F615-H617 VanDerWaalsContact C-N 3.28Å; F615-H617 PolarHBondContact O-N 3.16Å; H617-L619 PolarHBondContact O-N 3.25Å; H617-R703 PolarHBondContact O-NH1 3.48Å
618R84.5Confident88.4Confident119 Ų11950.1 Ų50.145%0.44925%0.251SS..  trans-73.887.1173.3-174.1170.6-177.6-1771.2110.5F766 E771R618-F766 HydrophobicContact CB-CD2 4.43Å; R618-F766 HydrophobicContact CB-CE2 3.92Å; R618-F766 HydrophobicContact CG-CD2 4.45Å; R618-F766 HydrophobicContact CG-CE2 3.6Å; R618-F766 HydrophobicContact CG-CZ 3.99Å; R618-E771 IonicContact CZ-OE1 3.09Å; R618-E771 IonicContact CZ-OE2 3.99Å; R618-E771 IonicContact NH1-OE1 3.78Å; R618-E771 PolarHBondContact NH1-OE1 3.07Å; R618-E771 VanDerWaalsContact NH1-OE1 3.12Å; R618-E771 IonicContact NH1-OE2 3.22Å; R618-E771 PolarHBondContact NH1-OE2 3.5Å; R618-E771 IonicContact NH2-OE1 2.74Å; R618-E771 PolarHBondContact NH2-OE1 2.98Å; R618-E771 IonicContact NH2-OE2 2.69Å
619L83.8Confident88.4Confident15 Ų1547.5 Ų47.58%0.07924%0.24CC..  trans-72.5141.4177.4-72.8167.3000112I614 H617 T628 Y629I614-L619 HydrophobicContact CG2-CD1 4.2Å; H617-L619 PolarHBondContact O-N 3.25Å; L619-T628 HydrophobicContact CD1-CG2 3.71Å; L619-T628 HydrophobicContact CD2-CG2 4.32Å; L619-Y629 HydrophobicContact CB-CE2 4.08Å; L619-Y629 HydrophobicContact CD1-CD2 3.76Å; L619-Y629 HydrophobicContact CD1-CE1 4.47Å; L619-Y629 HydrophobicContact CD1-CE2 3.29Å; L619-Y629 HydrophobicContact CG-CE2 4.27Å
620P84.4Confident88.6Confident59 Ų5944.2 Ų44.238%0.38322%0.22SC..  trans-67.3150.6176.827.9-33.9000111.7D622 G625P620-D622 WeakPolarHBondContact CG-OD1 3.41Å; P620-D622 PolarHBondContact O-N 2.67Å; P620-G625 WeakPolarHBondContact O-CA 3.24Å
621W83.8Confident88.6Confident122 Ų12245.7 Ų45.746%0.46223%0.232SC..SBendtrans-81.358.3175.3-69.864000110.9R669W621-R669 HydrophobicContact CH2-CG 4.06Å; W621-R669 HydrophobicContact CZ3-CG 4.2Å
622D87.7Confident88.6Confident62 Ų6245.7 Ų45.733%0.33223%0.232SC..SBendtrans-133.5-173.3-177.272.18.5000112P620 K624 G625 Y626P620-D622 WeakPolarHBondContact CG-OD1 3.41Å; P620-D622 PolarHBondContact O-N 2.67Å; D622-K624 PolarHBondContact O-N 2.98Å; D622-K624 WeakPolarHBondContact OD1-CA 3.37Å; D622-K624 VanDerWaalsContact OD1-CB 3.29Å; D622-K624 WeakPolarHBondContact OD1-CB 3.17Å; D622-K624 PolarHBondContact OD1-N 3.12Å; D622-G625 PolarHBondContact O-N 3.33Å; D622-G625 PolarHBondContact OD1-N 2.95Å; D622-Y626 PolarHBondContact O-N 2.94Å
623Q88.7Confident88.8Confident75 Ų7543.3 Ų43.335%0.3522%0.216SC..Hα-helixtrans-65.6-28.4-178.4-175.16443.400111.8S627 F674 S854Q623-S627 WeakPolarHBondContact O-CB 3.29Å; Q623-S627 PolarHBondContact O-N 3.25Å; Q623-S627 PolarHBondContact O-OG 3.23Å; Q623-F674 HydrophobicContact CB-CZ 4.32Å; Q623-S854 PolarHBondContact OE1-OG 3.2Å
624K88.5Confident88.9Confident133 Ų13345 Ų4558%0.57822%0.223SC*.Hα-helixtrans-73.8-42178.6-172.9-175.9178.7-174.50110.7D622 S627 T628D622-K624 PolarHBondContact O-N 2.98Å; D622-K624 WeakPolarHBondContact OD1-CA 3.37Å; D622-K624 VanDerWaalsContact OD1-CB 3.29Å; D622-K624 WeakPolarHBondContact OD1-CB 3.17Å; D622-K624 PolarHBondContact OD1-N 3.12Å; K624-S627 WeakPolarHBondContact CA-OG 3.23Å; K624-S627 PolarHBondContact O-N 2.6Å; K624-S627 PolarHBondContact O-OG 2.94Å; K624-T628 WeakPolarHBondContact O-CB 3.47Å; K624-T628 PolarHBondContact O-N 2.74Å; K624-T628 PolarHBondContact O-OG1 2.94Å
625G89.5Confident88.9Confident0 Ų045.5 Ų45.50%023%0.225CC..Hα-helixtrans-59.4-47.5171.400000111.4P620 D622 T628 Y629P620-G625 WeakPolarHBondContact O-CA 3.24Å; D622-G625 PolarHBondContact O-N 3.33Å; D622-G625 PolarHBondContact OD1-N 2.95Å; G625-T628 PolarHBondContact O-N 3.12Å; G625-Y629 PolarHBondContact O-N 2.7Å; G625-Y629 VanDerWaalsContact O-N 3.13Å
626Y91.9Very high89Confident4 Ų445.5 Ų45.52%0.01623%0.225CC..Hα-helixtrans-58.4-51.5174.6176.5-99.4000111.9D622 T628 Y629 A630 A667 A671 A855 D858 M859D622-Y626 PolarHBondContact O-N 2.94Å; Y626-T628 PolarHBondContact O-N 2.91Å; Y626-Y629 PolarHBondContact O-N 3.23Å; Y626-A630 HydrophobicContact CD1-CB 4.42Å; Y626-A630 HydrophobicContact CE1-CB 4Å; Y626-A630 HydrophobicContact CE2-CB 4.45Å; Y626-A630 WeakPolarHBondContact O-CB 3.43Å; Y626-A630 PolarHBondContact O-N 3.09Å; Y626-A667 WeakPolarHBondContact CD2-O 3.36Å; Y626-A667 HydrophobicContact CE2-CB 4.38Å; Y626-A671 HydrophobicContact CD2-CB 3.84Å; Y626-A671 HydrophobicContact CE2-CB 3.7Å; Y626-A855 HydrophobicContact CD1-CB 3.57Å; Y626-A855 HydrophobicContact CD2-CB 3.98Å; Y626-A855 HydrophobicContact CE1-CB 3.89Å; Y626-A855 HydrophobicContact CE2-CB 4.27Å; Y626-A855 HydrophobicContact CG-CB 3.62Å; Y626-A855 PolarHBondContact OH-O 3.04Å; Y626-D858 HydrophobicContact CE1-CB 4.15Å; Y626-D858 WeakPolarHBondContact CE1-OD2 3.4Å; Y626-D858 PolarHBondContact OH-OD2 3.33Å; Y626-M859 HydrophobicContact CE2-CB 4.49Å; Y626-M859 PolarHBondContact OH-N 3.43Å
627S91.5Very high89.1Confident58 Ų5842.6 Ų42.641%0.40621%0.209SC..Hα-helixtrans-61.8-30.6-178.460.20000112.8Q623 K624 A631Q623-S627 WeakPolarHBondContact O-CB 3.29Å; Q623-S627 PolarHBondContact O-N 3.25Å; Q623-S627 PolarHBondContact O-OG 3.23Å; K624-S627 WeakPolarHBondContact CA-OG 3.23Å; K624-S627 PolarHBondContact O-N 2.6Å; K624-S627 PolarHBondContact O-OG 2.94Å; S627-A631 WeakPolarHBondContact O-CB 3.43Å; S627-A631 PolarHBondContact O-N 3.27Å
628T90.9Very high89.3Confident9 Ų941 Ų416%0.05521%0.205CC..Hα-helixtrans-68.6-53.2177.1-58.40000111.2L586 I614 L619 K624 G625 Y626 A631 L632L586-T628 HydrophobicContact CD2-CG2 3.31Å; I614-T628 HydrophobicContact CG2-CG2 4.15Å; L619-T628 HydrophobicContact CD1-CG2 3.71Å; L619-T628 HydrophobicContact CD2-CG2 4.32Å; K624-T628 WeakPolarHBondContact O-CB 3.47Å; K624-T628 PolarHBondContact O-N 2.74Å; K624-T628 PolarHBondContact O-OG1 2.94Å; G625-T628 PolarHBondContact O-N 3.12Å; Y626-T628 PolarHBondContact O-N 2.91Å; T628-A631 PolarHBondContact O-N 2.88Å; T628-L632 WeakPolarHBondContact O-CB 3.3Å; T628-L632 PolarHBondContact O-N 3.37Å
629Y92.3Very high89.4Confident0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-68.1-34.5178-79.1-70000112.7I614 F615 L619 G625 Y626 L632 R633 Q666 I670 R703I614-Y629 HydrophobicContact CG2-CE1 4.5Å; F615-Y629 AromaticContact CD1-CE1 3.94Å; F615-Y629 HydrophobicContact CD1-CE1 3.94Å; F615-Y629 AromaticContact CE1-CE1 3.99Å; F615-Y629 HydrophobicContact CE1-CE1 3.99Å; L619-Y629 HydrophobicContact CB-CE2 4.08Å; L619-Y629 HydrophobicContact CD1-CD2 3.76Å; L619-Y629 HydrophobicContact CD1-CE1 4.47Å; L619-Y629 HydrophobicContact CD1-CE2 3.29Å; L619-Y629 HydrophobicContact CG-CE2 4.27Å; G625-Y629 PolarHBondContact O-N 2.7Å; G625-Y629 VanDerWaalsContact O-N 3.13Å; Y626-Y629 PolarHBondContact O-N 3.23Å; Y629-L632 HydrophobicContact CD1-CD2 4.34Å; Y629-L632 PolarHBondContact O-N 3.38Å; Y629-R633 VanDerWaalsContact O-CB 3.25Å; Y629-R633 WeakPolarHBondContact O-CB 3.37Å; Y629-R633 PolarHBondContact O-N 2.89Å; Y629-Q666 HydrophobicContact CD1-CB 4.04Å; Y629-Q666 HydrophobicContact CD1-CG 3.82Å; Y629-Q666 HydrophobicContact CD2-CG 3.78Å; Y629-Q666 HydrophobicContact CE1-CB 4.08Å; Y629-Q666 HydrophobicContact CE1-CG 3.54Å; Y629-Q666 HydrophobicContact CE2-CG 3.45Å; Y629-Q666 VanDerWaalsContact CE2-CG 3.45Å; Y629-Q666 HydrophobicContact CG-CB 4.31Å; Y629-Q666 HydrophobicContact CG-CG 3.94Å; Y629-I670 HydrophobicContact CD2-CD1 3.4Å; Y629-I670 VanDerWaalsContact CD2-CD1 3.4Å; Y629-I670 HydrophobicContact CE2-CD1 3.75Å; Y629-I670 HydrophobicContact CG-CD1 4.46Å; Y629-R703 PolarHBondContact OH-NH1 2.56Å; Y629-R703 VanDerWaalsContact OH-NH1 3.12Å; Y629-R703 PolarHBondContact OH-NH2 3.31Å
630A92.4Very high89.5Confident6 Ų635.5 Ų35.55%0.0518%0.184CC..Hα-helixtrans-64-42.3174.100000111.4Y626 R633 N634Y626-A630 HydrophobicContact CD1-CB 4.42Å; Y626-A630 HydrophobicContact CE1-CB 4Å; Y626-A630 HydrophobicContact CE2-CB 4.45Å; Y626-A630 WeakPolarHBondContact O-CB 3.43Å; Y626-A630 PolarHBondContact O-N 3.09Å; A630-R633 PolarHBondContact O-N 2.96Å; A630-N634 WeakPolarHBondContact O-CB 3.23Å; A630-N634 PolarHBondContact O-N 2.94Å; A630-N634 PolarHBondContact O-OD1 3.22Å
631A90.8Very high89.6Confident32 Ų3236.5 Ų36.526%0.26418%0.183SC..Hα-helixtrans-66.5-40.2174.500000112.1M589 S627 T628 N634 Y635M589-A631 HydrophobicContact CE-CB 3.44Å; M589-A631 VanDerWaalsContact CE-CB 3.44Å; M589-A631 HydrophobicContact SD-CB 4.3Å; S627-A631 WeakPolarHBondContact O-CB 3.43Å; S627-A631 PolarHBondContact O-N 3.27Å; T628-A631 PolarHBondContact O-N 2.88Å; A631-N634 PolarHBondContact O-N 3.46Å; A631-Y635 WeakPolarHBondContact O-CB 3.32Å; A631-Y635 PolarHBondContact O-N 2.87Å
632L92.3Very high89.5Confident1 Ų132.3 Ų32.31%0.00518%0.178CC..Hα-helixtrans-61.5-46.1174.3-179.260.8000111.7M589 I611 I614 F615 T628 Y629 N634 Y635 L636 A663M589-L632 HydrophobicContact SD-CB 3.81Å; M589-L632 HydrophobicContact SD-CD1 4.16Å; I611-L632 HydrophobicContact CG1-CD1 4.03Å; I614-L632 HydrophobicContact CB-CD2 4.43Å; I614-L632 HydrophobicContact CD1-CD1 4.32Å; I614-L632 HydrophobicContact CG2-CD2 3.92Å; F615-L632 HydrophobicContact CD1-CD2 4.21Å; F615-L632 HydrophobicContact CE1-CD2 3.54Å; F615-L632 HydrophobicContact CZ-CD2 4.02Å; T628-L632 WeakPolarHBondContact O-CB 3.3Å; T628-L632 PolarHBondContact O-N 3.37Å; Y629-L632 HydrophobicContact CD1-CD2 4.34Å; Y629-L632 PolarHBondContact O-N 3.38Å; L632-N634 PolarHBondContact O-N 3.04Å; L632-Y635 PolarHBondContact O-N 3.29Å; L632-L636 HydrophobicContact CD1-CD1 3.97Å; L632-L636 HydrophobicContact CD1-CG 4.2Å; L632-L636 HydrophobicContact CG-CD1 3.82Å; L632-L636 HydrophobicContact CG-CG 4.46Å; L632-L636 WeakPolarHBondContact O-CB 3.4Å; L632-L636 VanDerWaalsContact O-CG 3.31Å; L632-L636 WeakPolarHBondContact O-CG 3.34Å; L632-L636 PolarHBondContact O-N 2.74Å; L632-A663 HydrophobicContact CD2-CB 3.95Å; L632-A663 HydrophobicContact CG-CB 4.05Å
633R92.8Very high89.3Confident0 Ų029.6 Ų29.60%016%0.163CC..Hα-helixtrans-57.5-47.9175.1176.2-165.868-165.1-2.5111.1Y629 A630 L636 N637 L660 H664 D858 Y862Y629-R633 VanDerWaalsContact O-CB 3.25Å; Y629-R633 WeakPolarHBondContact O-CB 3.37Å; Y629-R633 PolarHBondContact O-N 2.89Å; A630-R633 PolarHBondContact O-N 2.96Å; R633-L636 PolarHBondContact O-N 3.36Å; R633-N637 WeakPolarHBondContact O-CB 3.45Å; R633-N637 PolarHBondContact O-N 2.97Å; R633-L660 HydrophobicContact CG-CD1 3.93Å; R633-L660 VanDerWaalsContact O-CD1 3.24Å; R633-L660 WeakPolarHBondContact O-CD1 3.41Å; R633-H664 WeakPolarHBondContact CD-ND1 3.49Å; R633-H664 HydrophobicContact CG-CB 4Å; R633-D858 IonicContact NH2-OD2 3.38Å; R633-Y862 HydrophobicContact CG-CE1 4.03Å; R633-Y862 VanDerWaalsContact NE-CZ 3.3Å; R633-Y862 VanDerWaalsContact NH2-CD2 3.32Å
634N90.9Very high88.6Confident52 Ų5230.3 Ų30.328%0.27818%0.176SC..Hα-helixtrans-63.3-44.7-179.5-64-1.3000110.9A630 A631 L632 N637 D638 Y862A630-N634 WeakPolarHBondContact O-CB 3.23Å; A630-N634 PolarHBondContact O-N 2.94Å; A630-N634 PolarHBondContact O-OD1 3.22Å; A631-N634 PolarHBondContact O-N 3.46Å; L632-N634 PolarHBondContact O-N 3.04Å; N634-N637 PolarHBondContact O-N 3.4Å; N634-D638 PolarHBondContact O-N 3.5Å; N634-Y862 WeakPolarHBondContact OD1-CE2 3.39Å
635Y89.9Confident87.9Confident14 Ų1427.6 Ų27.66%0.05517%0.174CC..Hα-helixtrans-59.2-47.4174.7168.7-105.8000112.5L592 H593 A607 A631 L632 N637 D638 L639L592-Y635 HydrophobicContact CB-CD2 4.31Å; L592-Y635 HydrophobicContact CB-CE2 3.7Å; L592-Y635 HydrophobicContact CD1-CE1 4.45Å; H593-Y635 HydrophobicContact CB-CD2 4.08Å; A607-Y635 HydrophobicContact CB-CE1 4.37Å; A607-Y635 WeakPolarHBondContact CB-OH 3.42Å; A631-Y635 WeakPolarHBondContact O-CB 3.32Å; A631-Y635 PolarHBondContact O-N 2.87Å; L632-Y635 PolarHBondContact O-N 3.29Å; Y635-N637 VanDerWaalsContact C-N 3.3Å; Y635-N637 PolarHBondContact O-N 3.42Å; Y635-D638 PolarHBondContact O-N 2.92Å; Y635-L639 HydrophobicContact CE1-CD2 4.1Å; Y635-L639 VanDerWaalsContact O-CB 3.3Å; Y635-L639 WeakPolarHBondContact O-CB 3.31Å; Y635-L639 PolarHBondContact O-N 3.49Å
636L91.2Very high87Confident0 Ų033.3 Ų33.30%021%0.212CC..Hα-helixtrans-64.7-34.6179.1-74.4169.1000112.2I611 L632 R633 L639 T640 F656 C659 L660 A663I611-L636 HydrophobicContact CD1-CD2 3.65Å; I611-L636 HydrophobicContact CG1-CD2 4.29Å; L632-L636 HydrophobicContact CD1-CD1 3.97Å; L632-L636 HydrophobicContact CD1-CG 4.2Å; L632-L636 HydrophobicContact CG-CD1 3.82Å; L632-L636 HydrophobicContact CG-CG 4.46Å; L632-L636 WeakPolarHBondContact O-CB 3.4Å; L632-L636 VanDerWaalsContact O-CG 3.31Å; L632-L636 WeakPolarHBondContact O-CG 3.34Å; L632-L636 PolarHBondContact O-N 2.74Å; R633-L636 PolarHBondContact O-N 3.36Å; L636-L639 HydrophobicContact CD2-CD2 4.31Å; L636-L639 PolarHBondContact O-N 3.47Å; L636-T640 WeakPolarHBondContact O-CB 3.41Å; L636-T640 VanDerWaalsContact O-CG2 3.28Å; L636-T640 WeakPolarHBondContact O-CG2 3.46Å; L636-T640 PolarHBondContact O-N 2.93Å; L636-T640 PolarHBondContact O-OG1 3.34Å; L636-F656 HydrophobicContact CD2-CD1 4.08Å; L636-C659 HydrophobicContact CD1-CB 4.02Å; L636-C659 HydrophobicContact CD2-CB 4.24Å; L636-L660 HydrophobicContact CB-CB 3.91Å; L636-L660 HydrophobicContact CB-CD1 3.78Å; L636-L660 HydrophobicContact CB-CG 4.37Å; L636-A663 HydrophobicContact CD1-CB 3.98Å
637N89.7Confident86.3Confident15 Ų1538.9 Ų38.98%0.0825%0.248CC..Hα-helixtrans-66-41.9174.6-169.239000111.5R633 N634 Y635 T640 K641 L660 Y862 W866R633-N637 WeakPolarHBondContact O-CB 3.45Å; R633-N637 PolarHBondContact O-N 2.97Å; N634-N637 PolarHBondContact O-N 3.4Å; Y635-N637 VanDerWaalsContact C-N 3.3Å; Y635-N637 PolarHBondContact O-N 3.42Å; N637-T640 WeakPolarHBondContact CA-OG1 3.39Å; N637-T640 PolarHBondContact O-OG1 2.94Å; N637-K641 PolarHBondContact ND2-NZ 3.41Å; N637-K641 WeakPolarHBondContact O-CB 3.42Å; N637-K641 VanDerWaalsContact O-CG 3.25Å; N637-K641 WeakPolarHBondContact O-CG 3.32Å; N637-K641 PolarHBondContact O-N 3.4Å; N637-K641 VanDerWaalsContact O-N 3.13Å; N637-L660 HydrophobicContact CB-CD1 4.08Å; N637-L660 HydrophobicContact CB-CD2 4.29Å; N637-Y862 PolarHBondContact ND2-OH 2.95Å; N637-W866 PolarHBondContact OD1-NE1 3.39Å
638D87.2Confident85.7Confident86 Ų8638.2 Ų38.246%0.4624%0.238SC..Hα-helixtrans-70.1-37.4176.5-66.2-23.8000111.7H593 N634 Y635 K641 G642H593-D638 IonicContact CE1-OD2 3.12Å; H593-D638 PolarHBondContact CE1-OD2 2.95Å; H593-D638 IonicContact ND1-OD2 2.91Å; N634-D638 PolarHBondContact O-N 3.5Å; Y635-D638 PolarHBondContact O-N 2.92Å; D638-K641 PolarHBondContact O-N 3.35Å; D638-G642 PolarHBondContact O-N 2.91Å
639L87.1Confident85.2Confident7 Ų743 Ų434%0.03726%0.263CS..Hα-helixtrans-62.8-49.1176.4-177.165.6000111.5L599 L604 Y635 L636 K641 G642 M643 F656L599-L639 HydrophobicContact CD1-CD1 4.5Å; L599-L639 HydrophobicContact CD2-CD1 3.34Å; L604-L639 HydrophobicContact CD2-CD1 3.99Å; Y635-L639 HydrophobicContact CE1-CD2 4.1Å; Y635-L639 VanDerWaalsContact O-CB 3.3Å; Y635-L639 WeakPolarHBondContact O-CB 3.31Å; Y635-L639 PolarHBondContact O-N 3.49Å; L636-L639 HydrophobicContact CD2-CD2 4.31Å; L636-L639 PolarHBondContact O-N 3.47Å; L639-K641 PolarHBondContact O-N 3.01Å; L639-G642 WeakPolarHBondContact O-CA 3.33Å; L639-G642 PolarHBondContact O-N 2.67Å; L639-G642 VanDerWaalsContact O-N 3.11Å; L639-M643 HydrophobicContact CD1-SD 4.47Å; L639-M643 HydrophobicContact CD2-CE 4.28Å; L639-M643 HydrophobicContact CG-CE 3.77Å; L639-M643 HydrophobicContact CG-SD 4.25Å; L639-M643 WeakPolarHBondContact O-CG 3.18Å; L639-M643 PolarHBondContact O-N 2.8Å; L639-F656 HydrophobicContact CD2-CD1 3.6Å; L639-F656 HydrophobicContact CD2-CD2 4.47Å; L639-F656 HydrophobicContact CD2-CE1 3.73Å; L639-F656 HydrophobicContact CD2-CG 4Å; L639-F656 HydrophobicContact CD2-CZ 4.23Å
640T86.7Confident84.8Confident10 Ų1050.4 Ų50.46%0.06130%0.298CS..Hα-helixtrans-63.2-39178.3480000112L636 N637 G642 M643 S644 F656 E657 L660L636-T640 WeakPolarHBondContact O-CB 3.41Å; L636-T640 VanDerWaalsContact O-CG2 3.28Å; L636-T640 WeakPolarHBondContact O-CG2 3.46Å; L636-T640 PolarHBondContact O-N 2.93Å; L636-T640 PolarHBondContact O-OG1 3.34Å; N637-T640 WeakPolarHBondContact CA-OG1 3.39Å; N637-T640 PolarHBondContact O-OG1 2.94Å; T640-G642 VanDerWaalsContact C-N 3.35Å; T640-G642 PolarHBondContact O-N 3.1Å; T640-M643 HydrophobicContact CG2-CE 4.05Å; T640-M643 PolarHBondContact O-N 3.3Å; T640-S644 PolarHBondContact O-N 3.06Å; T640-S644 VanDerWaalsContact O-N 3.15Å; T640-S644 PolarHBondContact O-OG 3.42Å; T640-F656 HydrophobicContact CG2-CB 4.1Å; T640-E657 HydrophobicContact CG2-CG 3.83Å; T640-L660 HydrophobicContact CG2-CD2 4.35Å
641K85.2Confident84.4Confident80 Ų8052 Ų5235%0.34832%0.315SS..Hα-helixtrans-61.6-40.6170.1-73.6173.8-176.4-176.40112.6N637 D638 L639 S644 S867N637-K641 PolarHBondContact ND2-NZ 3.41Å; N637-K641 WeakPolarHBondContact O-CB 3.42Å; N637-K641 VanDerWaalsContact O-CG 3.25Å; N637-K641 WeakPolarHBondContact O-CG 3.32Å; N637-K641 PolarHBondContact O-N 3.4Å; N637-K641 VanDerWaalsContact O-N 3.13Å; D638-K641 PolarHBondContact O-N 3.35Å; L639-K641 PolarHBondContact O-N 3.01Å; K641-S644 WeakPolarHBondContact O-CB 3.38Å; K641-S644 PolarHBondContact O-N 3.05Å; K641-S867 WeakPolarHBondContact CE-O 3.36Å; K641-S867 PolarHBondContact NZ-O 3.08Å; K641-S867 PolarHBondContact NZ-OG 3.06Å; K641-S867 VanDerWaalsContact NZ-OG 3.08Å
642G82.9Confident84.1Confident35 Ų3552.9 Ų52.936%0.36131%0.314SS..Hα-helixtrans-66.7-34.817600000113.7D638 L639 T640 S644D638-G642 PolarHBondContact O-N 2.91Å; L639-G642 WeakPolarHBondContact O-CA 3.33Å; L639-G642 PolarHBondContact O-N 2.67Å; L639-G642 VanDerWaalsContact O-N 3.11Å; T640-G642 VanDerWaalsContact C-N 3.35Å; T640-G642 PolarHBondContact O-N 3.1Å; G642-S644 VanDerWaalsContact C-N 3.34Å
643M82.7Confident83.8Confident4 Ų454 Ų542%0.0232%0.32CS..Hα-helixtrans-80.7-10.9178.9-68-178.1-59.300114.1L599 L604 L639 T640 S645 F648 V653 F656L599-M643 HydrophobicContact CD1-CG 4.06Å; L604-M643 HydrophobicContact CD2-SD 4.02Å; L639-M643 HydrophobicContact CD1-SD 4.47Å; L639-M643 HydrophobicContact CD2-CE 4.28Å; L639-M643 HydrophobicContact CG-CE 3.77Å; L639-M643 HydrophobicContact CG-SD 4.25Å; L639-M643 WeakPolarHBondContact O-CG 3.18Å; L639-M643 PolarHBondContact O-N 2.8Å; T640-M643 HydrophobicContact CG2-CE 4.05Å; T640-M643 PolarHBondContact O-N 3.3Å; M643-S645 PolarHBondContact O-N 2.96Å; M643-F648 HydrophobicContact CB-CD2 3.92Å; M643-F648 HydrophobicContact CB-CE2 4.32Å; M643-F648 HydrophobicContact CB-CG 4.3Å; M643-F648 HydrophobicContact CG-CD2 4.12Å; M643-F648 HydrophobicContact CG-CE2 4.22Å; M643-F648 HydrophobicContact CG-CG 4.27Å; M643-F648 HydrophobicContact CG-CZ 4.47Å; M643-F648 WeakPolarHBondContact O-CD2 3.43Å; M643-V653 HydrophobicContact CB-CG2 4.2Å; M643-F656 HydrophobicContact CE-CB 3.56Å; M643-F656 HydrophobicContact CE-CD2 3.49Å; M643-F656 VanDerWaalsContact CE-CD2 3.49Å; M643-F656 HydrophobicContact CE-CE2 4.37Å; M643-F656 HydrophobicContact CE-CG 3.74Å; M643-F656 HydrophobicContact SD-CD2 3.6Å; M643-F656 HydrophobicContact SD-CE2 3.98Å; M643-F656 HydrophobicContact SD-CG 4.41Å
644S75.2Confident83.5Confident90 Ų9059.9 Ų59.963%0.62935%0.348SS*.THydrogen-bonded Turntrans-61.6-12.1178.2-62.80000113.5T640 K641 G642T640-S644 PolarHBondContact O-N 3.06Å; T640-S644 VanDerWaalsContact O-N 3.15Å; T640-S644 PolarHBondContact O-OG 3.42Å; K641-S644 WeakPolarHBondContact O-CB 3.38Å; K641-S644 PolarHBondContact O-N 3.05Å; G642-S644 VanDerWaalsContact C-N 3.34Å
645S73.8Confident83.5Confident77 Ų7760.6 Ų60.654%0.53835%0.349SS..SBendtrans-100.1132.7172.9-61.50000111M643 F648M643-S645 PolarHBondContact O-N 2.96Å; S645-F648 WeakPolarHBondContact O-CD2 3.39Å; S645-F648 WeakPolarHBondContact O-CE2 3.42Å
646P69.5Low83.6Confident120 Ų12059.9 Ų59.978%0.77935%0.346SS*.THydrogen-bonded Turntrans-55.7144.2176.621.7-31.4000111
647P77Confident83.6Confident121 Ų12164.4 Ų64.479%0.78637%0.367SS*.THydrogen-bonded Turncis-115.323.244.641.1-35.2000116.2
648F78.8Confident83.7Confident44 Ų4466 Ų6619%0.19337%0.374CS..SBendtrans-71.3147.6-176.5-52.9-74.4000113L599 L604 M643 S645 V653L599-F648 HydrophobicContact CB-CE1 4.2Å; L599-F648 HydrophobicContact CB-CZ 3.7Å; L599-F648 HydrophobicContact CD1-CE2 4.39Å; L599-F648 HydrophobicContact CD1-CZ 4.09Å; L604-F648 HydrophobicContact CD1-CD1 4.08Å; L604-F648 HydrophobicContact CD1-CE1 4Å; M643-F648 HydrophobicContact CB-CD2 3.92Å; M643-F648 HydrophobicContact CB-CE2 4.32Å; M643-F648 HydrophobicContact CB-CG 4.3Å; M643-F648 HydrophobicContact CG-CD2 4.12Å; M643-F648 HydrophobicContact CG-CE2 4.22Å; M643-F648 HydrophobicContact CG-CG 4.27Å; M643-F648 HydrophobicContact CG-CZ 4.47Å; M643-F648 WeakPolarHBondContact O-CD2 3.43Å; S645-F648 WeakPolarHBondContact O-CD2 3.39Å; S645-F648 WeakPolarHBondContact O-CE2 3.42Å; F648-V653 HydrophobicContact CB-CG2 4.21Å
649D81.1Confident84Confident109 Ų10962 Ų6258%0.58335%0.352SS*.  trans-76.6142.5176.5-173.624.2000110.6G651 Q652 V653D649-G651 VanDerWaalsContact C-N 3.26Å; D649-G651 PolarHBondContact O-N 2.92Å; D649-Q652 HydrophobicContact CB-CG 4.21Å; D649-Q652 WeakPolarHBondContact O-CB 3.48Å; D649-Q652 PolarHBondContact O-N 3.14Å; D649-V653 PolarHBondContact O-N 2.94Å
650E83.4Confident84.3Confident156 Ų15662.1 Ų62.173%0.72935%0.353SS*.Hα-helixtrans-56.8-42.3-176.8-71.8178.6174.300110.9Q652 V653 E654E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 3.5Å; E650-V653 PolarHBondContact O-N 3.48Å; E650-V653 VanDerWaalsContact O-N 3.16Å; E650-E654 WeakPolarHBondContact O-CG 3.43Å; E650-E654 PolarHBondContact O-N 3.32Å
651G84.7Confident84.6Confident40 Ų4063.9 Ų63.941%0.41236%0.362SS..Hα-helixtrans-66-24.5178.500000114.6D649 F655D649-G651 VanDerWaalsContact C-N 3.26Å; D649-G651 PolarHBondContact O-N 2.92Å; G651-F655 PolarHBondContact O-N 3.27Å
652Q83.5Confident85.1Confident50 Ų5060 Ų6023%0.23435%0.345CS..Hα-helixtrans-74.5-41173.5-69.5-176.1-30.200111.2D649 E650 F655 F656D649-Q652 HydrophobicContact CB-CG 4.21Å; D649-Q652 WeakPolarHBondContact O-CB 3.48Å; D649-Q652 PolarHBondContact O-N 3.14Å; E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 3.5Å; Q652-F655 PolarHBondContact O-N 2.97Å; Q652-F656 WeakPolarHBondContact O-CD2 3.43Å; Q652-F656 PolarHBondContact O-N 3.39Å
653V86.2Confident85.6Confident24 Ų2458.4 Ų58.415%0.14533%0.328CS..Hα-helixtrans-63.6-48.2177.4-177.80000109.7M643 F648 D649 E650 F655 F656 E657M643-V653 HydrophobicContact CB-CG2 4.2Å; F648-V653 HydrophobicContact CB-CG2 4.21Å; D649-V653 PolarHBondContact O-N 2.94Å; E650-V653 PolarHBondContact O-N 3.48Å; E650-V653 VanDerWaalsContact O-N 3.16Å; V653-F655 VanDerWaalsContact C-N 3.3Å; V653-F655 PolarHBondContact O-N 3.17Å; V653-F656 PolarHBondContact O-N 3Å; V653-F656 VanDerWaalsContact O-N 3.11Å; V653-E657 HydrophobicContact CG1-CG 4.25Å; V653-E657 WeakPolarHBondContact O-CG 3.33Å; V653-E657 PolarHBondContact O-N 2.99Å
654E87.8Confident86.2Confident124 Ų12458.2 Ų58.258%0.57933%0.327SS*.Hα-helixtrans-55.7-42.3177.1-73.4-179.2172.600112.2E650 F656 E657 H658E650-E654 WeakPolarHBondContact O-CG 3.43Å; E650-E654 PolarHBondContact O-N 3.32Å; E654-F656 PolarHBondContact O-N 3.37Å; E654-E657 PolarHBondContact O-N 2.8Å; E654-H658 VanDerWaalsContact O-CB 3.3Å; E654-H658 WeakPolarHBondContact O-CB 3.05Å; E654-H658 PolarHBondContact O-N 3.49Å
655F90.8Very high87.2Confident66 Ų6654.1 Ų54.129%0.28930%0.298SS..Hα-helixtrans-59.8-45.4176.9174.3-91.6000112.6K608 G651 Q652 V653 H658 C659 V698K608-F655 HydrophobicContact CD-CE1 4.34Å; K608-F655 HydrophobicContact CG-CD1 4.49Å; K608-F655 HydrophobicContact CG-CE1 3.8Å; K608-F655 HydrophobicContact CG-CZ 4.48Å; G651-F655 PolarHBondContact O-N 3.27Å; Q652-F655 PolarHBondContact O-N 2.97Å; V653-F655 VanDerWaalsContact C-N 3.3Å; V653-F655 PolarHBondContact O-N 3.17Å; F655-H658 PolarHBondContact O-N 3.18Å; F655-C659 VanDerWaalsContact CE1-SG 3.54Å; F655-C659 PolarHBondContact O-N 3.32Å; F655-C659 PolarHBondContact O-SG 3.18Å; F655-V698 HydrophobicContact CD2-CG2 4.44Å; F655-V698 HydrophobicContact CE2-CG2 3.98Å
656F91.6Very high88.1Confident0 Ų050.6 Ų50.60%027%0.273CS..Hα-helixtrans-74.4-32.3-179.4-73.9-68.3000112.5L604 K608 I611 L636 L639 T640 M643 Q652 V653 E654 H658 C659 L660L604-F656 HydrophobicContact CB-CE2 4.4Å; L604-F656 HydrophobicContact CB-CZ 4.19Å; L604-F656 HydrophobicContact CD2-CE2 3.89Å; L604-F656 HydrophobicContact CD2-CZ 3.98Å; K608-F656 HydrophobicContact CD-CZ 4.46Å; K608-F656 HydrophobicContact CG-CE1 4.03Å; K608-F656 HydrophobicContact CG-CZ 3.83Å; I611-F656 HydrophobicContact CD1-CD1 3.94Å; I611-F656 HydrophobicContact CD1-CE1 3.7Å; L636-F656 HydrophobicContact CD2-CD1 4.08Å; L639-F656 HydrophobicContact CD2-CD1 3.6Å; L639-F656 HydrophobicContact CD2-CD2 4.47Å; L639-F656 HydrophobicContact CD2-CE1 3.73Å; L639-F656 HydrophobicContact CD2-CG 4Å; L639-F656 HydrophobicContact CD2-CZ 4.23Å; T640-F656 HydrophobicContact CG2-CB 4.1Å; M643-F656 HydrophobicContact CE-CB 3.56Å; M643-F656 HydrophobicContact CE-CD2 3.49Å; M643-F656 VanDerWaalsContact CE-CD2 3.49Å; M643-F656 HydrophobicContact CE-CE2 4.37Å; M643-F656 HydrophobicContact CE-CG 3.74Å; M643-F656 HydrophobicContact SD-CD2 3.6Å; M643-F656 HydrophobicContact SD-CE2 3.98Å; M643-F656 HydrophobicContact SD-CG 4.41Å; Q652-F656 WeakPolarHBondContact O-CD2 3.43Å; Q652-F656 PolarHBondContact O-N 3.39Å; V653-F656 PolarHBondContact O-N 3Å; V653-F656 VanDerWaalsContact O-N 3.11Å; E654-F656 PolarHBondContact O-N 3.37Å; F656-H658 VanDerWaalsContact C-N 3.34Å; F656-C659 PolarHBondContact O-N 3.14Å; F656-L660 WeakPolarHBondContact O-CB 2.97Å; F656-L660 PolarHBondContact O-N 3.47Å
657E91.2Very high89.3Confident94 Ų9444.9 Ų44.944%0.43924%0.236SC..Hα-helixtrans-62.7-42.6169.7-72.7-177.9163.500111T640 V653 E654 C659 L660 D661T640-E657 HydrophobicContact CG2-CG 3.83Å; V653-E657 HydrophobicContact CG1-CG 4.25Å; V653-E657 WeakPolarHBondContact O-CG 3.33Å; V653-E657 PolarHBondContact O-N 2.99Å; E654-E657 PolarHBondContact O-N 2.8Å; E657-C659 PolarHBondContact O-N 3.29Å; E657-L660 WeakPolarHBondContact O-CB 3.23Å; E657-L660 PolarHBondContact O-N 3.19Å; E657-L660 VanDerWaalsContact O-N 3.13Å; E657-D661 PolarHBondContact O-N 2.75Å
658H91.6Very high90.1Very high50 Ų5039.1 Ų39.123%0.23120%0.199CC..Hα-helixtrans-64.4-39.7175.6-160.764.3000112E654 F655 F656 A662 Y695 D697E654-H658 VanDerWaalsContact O-CB 3.3Å; E654-H658 WeakPolarHBondContact O-CB 3.05Å; E654-H658 PolarHBondContact O-N 3.49Å; F655-H658 PolarHBondContact O-N 3.18Å; F656-H658 VanDerWaalsContact C-N 3.34Å; H658-A662 WeakPolarHBondContact O-CB 3.32Å; H658-A662 PolarHBondContact O-N 3.32Å; H658-A662 VanDerWaalsContact O-N 3.08Å; H658-Y695 AromaticContact CD2-CD1 3.82Å; H658-Y695 AromaticContact CE1-CD1 3.16Å; H658-Y695 WeakPolarHBondContact CE1-CD1 3.43Å; H658-Y695 AromaticContact CE1-CE1 3.41Å; H658-Y695 VanDerWaalsContact CE1-CE1 3.41Å; H658-Y695 WeakPolarHBondContact CE1-CE1 3.36Å; H658-Y695 AromaticContact CE1-CG 3.98Å; H658-Y695 AromaticContact CG-CD1 3.72Å; H658-Y695 AromaticContact CG-CE1 3.95Å; H658-Y695 AromaticContact ND1-CD1 3.31Å; H658-Y695 VanDerWaalsContact ND1-CD1 3.31Å; H658-Y695 WeakPolarHBondContact ND1-CD1 3.44Å; H658-Y695 AromaticContact ND1-CE1 3.22Å; H658-Y695 WeakPolarHBondContact ND1-CE1 3.25Å; H658-Y695 AromaticContact NE2-CD1 3.47Å; H658-Y695 WeakPolarHBondContact NE2-CD1 3.33Å; H658-Y695 WeakPolarHBondContact O-CD1 3.47Å; H658-D697 IonicContact CD2-OD1 3.3Å; H658-D697 PolarHBondContact CD2-OD1 3.28Å; H658-D697 IonicContact CD2-OD2 2.7Å; H658-D697 PolarHBondContact CD2-OD2 3.19Å; H658-D697 VanDerWaalsContact CD2-OD2 3.29Å; H658-D697 IonicContact CE1-OD1 3.93Å; H658-D697 IonicContact NE2-OD1 2.83Å; H658-D697 PolarHBondContact NE2-OD1 3.17Å; H658-D697 IonicContact NE2-OD2 3.14Å; H658-D697 PolarHBondContact NE2-OD2 2.95Å
659C93.5Very high90.8Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-62.9-39.4170.8-67.50000112.6I611 F615 L636 F655 F656 E657 A662 A663 V698I611-C659 HydrophobicContact CG2-CB 4.28Å; F615-C659 HydrophobicContact CE2-CB 4.24Å; F615-C659 HydrophobicContact CZ-CB 4.45Å; L636-C659 HydrophobicContact CD1-CB 4.02Å; L636-C659 HydrophobicContact CD2-CB 4.24Å; F655-C659 VanDerWaalsContact CE1-SG 3.54Å; F655-C659 PolarHBondContact O-N 3.32Å; F655-C659 PolarHBondContact O-SG 3.18Å; F656-C659 PolarHBondContact O-N 3.14Å; E657-C659 PolarHBondContact O-N 3.29Å; C659-A662 PolarHBondContact O-N 3.07Å; C659-A663 WeakPolarHBondContact O-CB 3.49Å; C659-A663 PolarHBondContact O-N 3.17Å; C659-V698 HydrophobicContact CB-CG1 4.47Å; C659-V698 VanDerWaalsContact SG-CG1 3.51Å
660L94Very high91.3Very high10 Ų1032 Ų325%0.05216%0.162CC..Hα-helixtrans-62.3-48.5179.8171.356.5000110.5R633 L636 N637 T640 F656 E657 A663 H664 W866R633-L660 HydrophobicContact CG-CD1 3.93Å; R633-L660 VanDerWaalsContact O-CD1 3.24Å; R633-L660 WeakPolarHBondContact O-CD1 3.41Å; L636-L660 HydrophobicContact CB-CB 3.91Å; L636-L660 HydrophobicContact CB-CD1 3.78Å; L636-L660 HydrophobicContact CB-CG 4.37Å; N637-L660 HydrophobicContact CB-CD1 4.08Å; N637-L660 HydrophobicContact CB-CD2 4.29Å; T640-L660 HydrophobicContact CG2-CD2 4.35Å; F656-L660 WeakPolarHBondContact O-CB 2.97Å; F656-L660 PolarHBondContact O-N 3.47Å; E657-L660 WeakPolarHBondContact O-CB 3.23Å; E657-L660 PolarHBondContact O-N 3.19Å; E657-L660 VanDerWaalsContact O-N 3.13Å; L660-A663 PolarHBondContact O-N 3.44Å; L660-H664 VanDerWaalsContact O-CB 3.27Å; L660-H664 WeakPolarHBondContact O-CB 3.31Å; L660-H664 PolarHBondContact O-N 3.44Å; L660-W866 HydrophobicContact CD1-CH2 4.21Å; L660-W866 HydrophobicContact CD1-CZ2 4.27Å; L660-W866 HydrophobicContact CD2-CZ2 4.01Å; L660-W866 HydrophobicContact CG-CH2 4.33Å; L660-W866 HydrophobicContact CG-CZ2 4.22Å
661D93Very high91.8Very high47 Ų4724.5 Ų24.525%0.25113%0.128SC..Hα-helixtrans-58.9-48.4176-84.5-3.2000111.5E657 A663 H664 Y665 Y695E657-D661 PolarHBondContact O-N 2.75Å; D661-A663 PolarHBondContact O-N 2.88Å; D661-H664 PolarHBondContact O-N 3.11Å; D661-Y665 HydrophobicContact CB-CD2 4.36Å; D661-Y665 HydrophobicContact CB-CE2 4.01Å; D661-Y665 WeakPolarHBondContact O-CD2 3.37Å; D661-Y665 PolarHBondContact O-N 3.34Å; D661-Y695 HydrophobicContact CB-CD1 4.38Å; D661-Y695 HydrophobicContact CB-CE1 3.4Å; D661-Y695 VanDerWaalsContact CB-CE1 3.4Å; D661-Y695 WeakPolarHBondContact CB-OH 3.49Å; D661-Y695 PolarHBondContact OD2-OH 3.22Å; D661-Y695 VanDerWaalsContact OD2-OH 3.08Å
662A94.2Very high92.1Very high0 Ų022.7 Ų22.70%011%0.108CC..Hα-helixtrans-57.4-48.7177.500000112F615 H658 C659 H664 Q666 Y695 L699F615-A662 HydrophobicContact CZ-CB 4.35Å; H658-A662 WeakPolarHBondContact O-CB 3.32Å; H658-A662 PolarHBondContact O-N 3.32Å; H658-A662 VanDerWaalsContact O-N 3.08Å; C659-A662 PolarHBondContact O-N 3.07Å; A662-H664 VanDerWaalsContact C-N 3.34Å; A662-H664 PolarHBondContact O-N 3.39Å; A662-Q666 VanDerWaalsContact O-CB 3.22Å; A662-Q666 WeakPolarHBondContact O-CB 3.34Å; A662-Q666 PolarHBondContact O-N 2.94Å; A662-Y695 HydrophobicContact CB-CD1 3.9Å; A662-Y695 HydrophobicContact CB-CG 3.95Å; A662-L699 HydrophobicContact CB-CD1 4.11Å; A662-L699 HydrophobicContact CB-CD2 4.38Å; A662-L699 HydrophobicContact CB-CG 4.16Å
663A94.6Very high92.4Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-63.7-39.1177.800000112.2F615 L632 L636 C659 L660 D661 Q666 A667F615-A663 HydrophobicContact CE1-CB 4.14Å; F615-A663 HydrophobicContact CZ-CB 4.2Å; L632-A663 HydrophobicContact CD2-CB 3.95Å; L632-A663 HydrophobicContact CG-CB 4.05Å; L636-A663 HydrophobicContact CD1-CB 3.98Å; C659-A663 WeakPolarHBondContact O-CB 3.49Å; C659-A663 PolarHBondContact O-N 3.17Å; L660-A663 PolarHBondContact O-N 3.44Å; D661-A663 PolarHBondContact O-N 2.88Å; A663-Q666 PolarHBondContact O-N 3.34Å; A663-A667 WeakPolarHBondContact O-CB 3.29Å; A663-A667 PolarHBondContact O-N 2.85Å
664H95Very high92.6Very high0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-65.1-51.2178.4175.754.9000112.3R633 L660 D661 A662 Q666 A667 N668 I816 W866R633-H664 WeakPolarHBondContact CD-ND1 3.49Å; R633-H664 HydrophobicContact CG-CB 4Å; L660-H664 VanDerWaalsContact O-CB 3.27Å; L660-H664 WeakPolarHBondContact O-CB 3.31Å; L660-H664 PolarHBondContact O-N 3.44Å; D661-H664 PolarHBondContact O-N 3.11Å; A662-H664 VanDerWaalsContact C-N 3.34Å; A662-H664 PolarHBondContact O-N 3.39Å; H664-Q666 VanDerWaalsContact C-N 3.27Å; H664-Q666 PolarHBondContact O-N 3.3Å; H664-A667 WeakPolarHBondContact O-CB 3.32Å; H664-A667 PolarHBondContact O-N 3.17Å; H664-N668 PolarHBondContact CE1-ND2 3.33Å; H664-N668 PolarHBondContact CE1-OD1 2.82Å; H664-N668 VanDerWaalsContact CE1-OD1 3.24Å; H664-N668 PolarHBondContact NE2-ND2 2.98Å; H664-N668 VanDerWaalsContact O-CG 3.24Å; H664-N668 PolarHBondContact O-N 3.37Å; H664-N668 PolarHBondContact O-OD1 3.33Å; H664-I816 PolarHBondContact CD2-O 2.89Å; H664-I816 PolarHBondContact NE2-O 2.81Å; H664-W866 HydrophobicContact CB-CH2 4.18Å; H664-W866 HydrophobicContact CB-CZ3 4.29Å; H664-W866 AromaticContact CD2-CZ3 3.69Å; H664-W866 AromaticContact CE1-CZ3 3.56Å; H664-W866 AromaticContact CG-CH2 3.93Å; H664-W866 AromaticContact CG-CZ3 3.56Å; H664-W866 AromaticContact ND1-CZ3 3.52Å; H664-W866 AromaticContact NE2-CZ3 3.65Å
665Y95Very high92.6Very high4 Ų419 Ų192%0.0169%0.094CC..Hα-helixtrans-62.4-37.8177.6-68.4-48.3000111.4D661 N668 R669 I688 Y695 G819D661-Y665 HydrophobicContact CB-CD2 4.36Å; D661-Y665 HydrophobicContact CB-CE2 4.01Å; D661-Y665 WeakPolarHBondContact O-CD2 3.37Å; D661-Y665 PolarHBondContact O-N 3.34Å; Y665-N668 PolarHBondContact O-N 2.88Å; Y665-R669 WeakPolarHBondContact O-CB 3.45Å; Y665-R669 PolarHBondContact O-N 3.16Å; Y665-I688 WeakPolarHBondContact O-CG2 3.09Å; Y665-Y695 AromaticContact CD2-CE2 3.9Å; Y665-Y695 HydrophobicContact CD2-CE2 3.9Å; Y665-Y695 HydrophobicContact CE2-CE2 4.03Å; Y665-Y695 AromaticContact CE2-CZ 3.95Å; Y665-Y695 WeakPolarHBondContact CE2-OH 3.2Å; Y665-G819 VanDerWaalsContact CZ-CA 3.5Å
666Q93.6Very high92.2Very high3 Ų318.6 Ų18.61%0.01410%0.095CC..Hα-helixtrans-65.2-42.4175.1-169.4621900112.6Y629 A662 A663 H664 R669 I670 L692Y629-Q666 HydrophobicContact CD1-CB 4.04Å; Y629-Q666 HydrophobicContact CD1-CG 3.82Å; Y629-Q666 HydrophobicContact CD2-CG 3.78Å; Y629-Q666 HydrophobicContact CE1-CB 4.08Å; Y629-Q666 HydrophobicContact CE1-CG 3.54Å; Y629-Q666 HydrophobicContact CE2-CG 3.45Å; Y629-Q666 VanDerWaalsContact CE2-CG 3.45Å; Y629-Q666 HydrophobicContact CG-CB 4.31Å; Y629-Q666 HydrophobicContact CG-CG 3.94Å; A662-Q666 VanDerWaalsContact O-CB 3.22Å; A662-Q666 WeakPolarHBondContact O-CB 3.34Å; A662-Q666 PolarHBondContact O-N 2.94Å; A663-Q666 PolarHBondContact O-N 3.34Å; H664-Q666 VanDerWaalsContact C-N 3.27Å; H664-Q666 PolarHBondContact O-N 3.3Å; Q666-R669 PolarHBondContact O-N 3.2Å; Q666-I670 HydrophobicContact CG-CD1 4.5Å; Q666-I670 WeakPolarHBondContact O-CG1 3.21Å; Q666-I670 PolarHBondContact O-N 3.47Å; Q666-I670 VanDerWaalsContact O-N 3.12Å; Q666-L692 VanDerWaalsContact OE1-CD1 3.3Å
667A94.2Very high91.8Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-60.1-46.1173.300000111.2Y626 A663 H664 R669 I670 A671Y626-A667 WeakPolarHBondContact CD2-O 3.36Å; Y626-A667 HydrophobicContact CE2-CB 4.38Å; A663-A667 WeakPolarHBondContact O-CB 3.29Å; A663-A667 PolarHBondContact O-N 2.85Å; H664-A667 WeakPolarHBondContact O-CB 3.32Å; H664-A667 PolarHBondContact O-N 3.17Å; A667-R669 PolarHBondContact O-N 3.18Å; A667-I670 PolarHBondContact O-N 3.4Å; A667-A671 PolarHBondContact O-N 3Å
668N94Very high91.7Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-60.6-45.5177.7-66.2-8.7000111H664 Y665 I670 A671 L672 I688 I816 L817 M859H664-N668 PolarHBondContact CE1-ND2 3.33Å; H664-N668 PolarHBondContact CE1-OD1 2.82Å; H664-N668 VanDerWaalsContact CE1-OD1 3.24Å; H664-N668 PolarHBondContact NE2-ND2 2.98Å; H664-N668 VanDerWaalsContact O-CG 3.24Å; H664-N668 PolarHBondContact O-N 3.37Å; H664-N668 PolarHBondContact O-OD1 3.33Å; Y665-N668 PolarHBondContact O-N 2.88Å; N668-I670 VanDerWaalsContact C-N 3.32Å; N668-I670 PolarHBondContact O-N 3.35Å; N668-A671 WeakPolarHBondContact O-CB 3.21Å; N668-A671 PolarHBondContact O-N 3.23Å; N668-A671 VanDerWaalsContact O-N 3.11Å; N668-L672 WeakPolarHBondContact O-CG 3.48Å; N668-L672 PolarHBondContact O-N 3.04Å; N668-I688 HydrophobicContact CB-CD1 4.07Å; N668-I816 PolarHBondContact ND2-O 3.27Å; N668-L817 PolarHBondContact ND2-O 3.45Å; N668-M859 HydrophobicContact CB-SD 3.79Å; N668-M859 VanDerWaalsContact OD1-CG 3.31Å; N668-M859 WeakPolarHBondContact OD1-CG 3.28Å
669R93.7Very high91.6Very high1 Ų130.1 Ų30.10%0.00415%0.154CC..Hα-helixtrans-59.4-42.3-179.8-158.6179.467.4-175.46.8112.2W621 Y665 Q666 A667 L672 S673 I688 S689 L692 E707W621-R669 HydrophobicContact CH2-CG 4.06Å; W621-R669 HydrophobicContact CZ3-CG 4.2Å; Y665-R669 WeakPolarHBondContact O-CB 3.45Å; Y665-R669 PolarHBondContact O-N 3.16Å; Q666-R669 PolarHBondContact O-N 3.2Å; A667-R669 PolarHBondContact O-N 3.18Å; R669-L672 PolarHBondContact O-N 3.16Å; R669-S673 PolarHBondContact O-N 3.15Å; R669-I688 HydrophobicContact CB-CB 4.43Å; R669-I688 HydrophobicContact CB-CD1 4.42Å; R669-I688 HydrophobicContact CB-CG2 3.81Å; R669-I688 HydrophobicContact CG-CB 4.33Å; R669-I688 HydrophobicContact CG-CG2 4.1Å; R669-S689 WeakPolarHBondContact CD-OG 3.17Å; R669-L692 VanDerWaalsContact NH1-CD1 3.27Å; R669-E707 IonicContact CZ-OE2 3.92Å; R669-E707 IonicContact NH1-OE2 3.03Å; R669-E707 PolarHBondContact NH1-OE2 3.48Å; R669-E707 IonicContact NH2-OE1 3.99Å; R669-E707 PolarHBondContact NH2-OE1 3.39Å; R669-E707 IonicContact NH2-OE2 3.37Å; R669-E707 PolarHBondContact NH2-OE2 3.25Å
670I92.7Very high91.4Very high2 Ų235.4 Ų35.41%0.0118%0.178CC..Hα-helixtrans-68.5-39.9175.5-61.8166.9000110.5Y629 Q666 A667 N668 L672 S673 F674Y629-I670 HydrophobicContact CD2-CD1 3.4Å; Y629-I670 VanDerWaalsContact CD2-CD1 3.4Å; Y629-I670 HydrophobicContact CE2-CD1 3.75Å; Y629-I670 HydrophobicContact CG-CD1 4.46Å; Q666-I670 HydrophobicContact CG-CD1 4.5Å; Q666-I670 WeakPolarHBondContact O-CG1 3.21Å; Q666-I670 PolarHBondContact O-N 3.47Å; Q666-I670 VanDerWaalsContact O-N 3.12Å; A667-I670 PolarHBondContact O-N 3.4Å; N668-I670 VanDerWaalsContact C-N 3.32Å; N668-I670 PolarHBondContact O-N 3.35Å; I670-L672 VanDerWaalsContact C-N 3.25Å; I670-L672 PolarHBondContact O-N 3.38Å; I670-S673 PolarHBondContact O-N 3.37Å; I670-S673 PolarHBondContact O-OG 3.33Å; I670-F674 WeakPolarHBondContact O-CD2 3.24Å
671A92.4Very high91.3Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-60.2-37.4174.800000112Y626 A667 N668 S673 F674 A855 M856 M859Y626-A671 HydrophobicContact CD2-CB 3.84Å; Y626-A671 HydrophobicContact CE2-CB 3.7Å; A667-A671 PolarHBondContact O-N 3Å; N668-A671 WeakPolarHBondContact O-CB 3.21Å; N668-A671 PolarHBondContact O-N 3.23Å; N668-A671 VanDerWaalsContact O-N 3.11Å; A671-S673 VanDerWaalsContact C-N 3.31Å; A671-S673 PolarHBondContact O-N 2.82Å; A671-F674 WeakPolarHBondContact O-CD2 3.14Å; A671-F674 PolarHBondContact O-N 3.17Å; A671-A855 HydrophobicContact CB-CB 4.35Å; A671-M856 HydrophobicContact CB-CG 4.47Å; A671-M856 WeakPolarHBondContact O-CG 3.39Å; A671-M859 HydrophobicContact CB-CB 4.15Å; A671-M859 HydrophobicContact CB-CE 4.48Å; A671-M859 HydrophobicContact CB-CG 4.44Å; A671-M859 HydrophobicContact CB-SD 3.72Å
672L91.9Very high91.2Very high1 Ų134.6 Ų34.61%0.00517%0.173CC..Hα-helixtrans-70.2-23.8178.2-65.9-169.4000113.7N668 R669 I670 F674 A675 V681 I684 I688 I844 M856 M859N668-L672 WeakPolarHBondContact O-CG 3.48Å; N668-L672 PolarHBondContact O-N 3.04Å; R669-L672 PolarHBondContact O-N 3.16Å; I670-L672 VanDerWaalsContact C-N 3.25Å; I670-L672 PolarHBondContact O-N 3.38Å; L672-F674 PolarHBondContact O-N 2.88Å; L672-A675 CarbonylContact O-C 3.51Å; L672-A675 PolarHBondContact O-N 3.43Å; L672-V681 HydrophobicContact CB-CG1 4Å; L672-V681 HydrophobicContact CD2-CG1 4.19Å; L672-V681 HydrophobicContact CG-CG1 4.46Å; L672-I684 HydrophobicContact CD1-CB 4.14Å; L672-I684 HydrophobicContact CD1-CG2 3.51Å; L672-I688 HydrophobicContact CD1-CD1 3.6Å; L672-I688 HydrophobicContact CG-CD1 4.46Å; L672-I844 HydrophobicContact CD1-CD1 4.27Å; L672-I844 HydrophobicContact CD2-CD1 3.37Å; L672-I844 HydrophobicContact CD2-CG1 4.05Å; L672-I844 HydrophobicContact CD2-CG2 4.27Å; L672-I844 HydrophobicContact CG-CD1 4.47Å; L672-M856 HydrophobicContact CD2-CE 4.11Å; L672-M859 HydrophobicContact CD2-CE 4.02Å
673S90.1Very high91.1Very high32 Ų3237.2 Ų37.222%0.22419%0.185CC..Hα-helixtrans-67.3-20178.473.10000113.1R669 I670 A671 A675 D676R669-S673 PolarHBondContact O-N 3.15Å; I670-S673 PolarHBondContact O-N 3.37Å; I670-S673 PolarHBondContact O-OG 3.33Å; A671-S673 VanDerWaalsContact C-N 3.31Å; A671-S673 PolarHBondContact O-N 2.82Å; S673-A675 PolarHBondContact O-N 3.07Å; S673-D676 VanDerWaalsContact O-CB 3.31Å; S673-D676 WeakPolarHBondContact O-CB 3.5Å; S673-D676 PolarHBondContact O-N 2.86Å
674F88.8Confident91.1Very high75 Ų7537.4 Ų37.433%0.32919%0.186SC..THydrogen-bonded Turntrans-68.5-15.5171.2-66.7-82.1000113.5Q623 I670 A671 L672 A855Q623-F674 HydrophobicContact CB-CZ 4.32Å; I670-F674 WeakPolarHBondContact O-CD2 3.24Å; A671-F674 WeakPolarHBondContact O-CD2 3.14Å; A671-F674 PolarHBondContact O-N 3.17Å; L672-F674 PolarHBondContact O-N 2.88Å; F674-A855 HydrophobicContact CD2-CB 3.92Å; F674-A855 HydrophobicContact CE2-CB 3.69Å; F674-A855 HydrophobicContact CZ-CB 4.42Å
675A87.9Confident91Very high13 Ų1338.2 Ų38.211%0.10719%0.192CC..THydrogen-bonded Turntrans-117.426.6175.500000112.6L672 S673 N677 D678 V681 A851 M856L672-A675 CarbonylContact O-C 3.51Å; L672-A675 PolarHBondContact O-N 3.43Å; S673-A675 PolarHBondContact O-N 3.07Å; A675-N677 PolarHBondContact O-N 3.29Å; A675-D678 PolarHBondContact O-N 2.97Å; A675-V681 HydrophobicContact CB-CG1 4.16Å; A675-V681 HydrophobicContact CB-CG2 4.48Å; A675-A851 HydrophobicContact CB-CB 4.2Å; A675-M856 HydrophobicContact CB-CE 4.01Å; A675-M856 HydrophobicContact CB-SD 3.63Å
676D83Confident90.9Very high58 Ų5838 Ų3831%0.3119%0.192SC..THydrogen-bonded Turntrans-61.1-10.4-175.5-171.851.3000114.5S673 D678 Q682 K714S673-D676 VanDerWaalsContact O-CB 3.31Å; S673-D676 WeakPolarHBondContact O-CB 3.5Å; S673-D676 PolarHBondContact O-N 2.86Å; D676-D678 VanDerWaalsContact C-N 3.26Å; D676-D678 PolarHBondContact O-N 3.34Å; D676-Q682 WeakPolarHBondContact O-CG 3.27Å; D676-Q682 PolarHBondContact O-NE2 2.85Å; D676-Q682 WeakPolarHBondContact OD1-CG 3.4Å; D676-Q682 PolarHBondContact OD1-NE2 3.27Å; D676-K714 IonicContact OD1-NZ 2.93Å; D676-K714 PolarHBondContact OD1-NZ 3.44Å; D676-K714 IonicContact OD2-NZ 3.29Å; D676-K714 PolarHBondContact OD2-NZ 3.41Å
677N84.4Confident91Very high168 Ų16839.5 Ų39.590%0.89820%0.198SC*.THydrogen-bonded Turntrans-69.9-20.4175.9-67.1-33.9000113.6A675A675-N677 PolarHBondContact O-N 3.29Å
678D87.8Confident91Very high50 Ų5039.5 Ų39.527%0.26720%0.198SC..  trans-94.3119.2-178.9-169-27.5000111A675 D676 E680 V681 Q682 K843A675-D678 PolarHBondContact O-N 2.97Å; D676-D678 VanDerWaalsContact C-N 3.26Å; D676-D678 PolarHBondContact O-N 3.34Å; D678-E680 PolarHBondContact O-N 2.98Å; D678-E680 WeakPolarHBondContact OD1-CB 3.41Å; D678-E680 PolarHBondContact OD1-N 3.12Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 3.79Å; D678-V681 WeakPolarHBondContact O-CA 3.32Å; D678-V681 WeakPolarHBondContact O-CB 3.49Å; D678-V681 PolarHBondContact O-N 3.05Å; D678-Q682 PolarHBondContact O-N 3.26Å; D678-K843 IonicContact OD1-NZ 2.61Å; D678-K843 WeakPolarHBondContact OD2-CE 3.33Å; D678-K843 IonicContact OD2-NZ 3.94Å; D678-K843 PolarHBondContact OD2-NZ 3.09Å
679K89Confident91Very high169 Ų16939.7 Ų39.774%0.73520%0.199SC*.Hα-helixtrans-58.5-31.6179.3-69.7-170.2177.2-171.40113.1Q682 M683K679-Q682 PolarHBondContact O-N 2.81Å; K679-M683 PolarHBondContact O-N 3Å
680E90.3Very high91.1Very high111 Ų11139.7 Ų39.752%0.51920%0.199SC..Hα-helixtrans-71.6-34.5176.5-68.2178.8175.600111D678 M683 I684 K843D678-E680 PolarHBondContact O-N 2.98Å; D678-E680 WeakPolarHBondContact OD1-CB 3.41Å; D678-E680 PolarHBondContact OD1-N 3.12Å; E680-M683 WeakPolarHBondContact O-CB 3.35Å; E680-M683 PolarHBondContact O-N 2.87Å; E680-I684 WeakPolarHBondContact O-CG1 3.45Å; E680-I684 PolarHBondContact O-N 3.13Å; E680-K843 HydrophobicContact CB-CD 4.43Å; E680-K843 HydrophobicContact CB-CG 4.32Å; E680-K843 WeakPolarHBondContact OE2-CD 3.43Å; E680-K843 WeakPolarHBondContact OE2-CE 3.47Å; E680-K843 IonicContact OE2-NZ 3.69Å; E680-K843 PolarHBondContact OE2-NZ 3.39Å
681V91.8Very high91.1Very high2 Ų239.6 Ų39.61%0.01220%0.199CC..Hα-helixtrans-70.2-39.5173.7178.20000110.6L672 A675 D678 M683 I684 S685 I844 S847L672-V681 HydrophobicContact CB-CG1 4Å; L672-V681 HydrophobicContact CD2-CG1 4.19Å; L672-V681 HydrophobicContact CG-CG1 4.46Å; A675-V681 HydrophobicContact CB-CG1 4.16Å; A675-V681 HydrophobicContact CB-CG2 4.48Å; D678-V681 HydrophobicContact CB-CB 4.09Å; D678-V681 HydrophobicContact CB-CG2 3.79Å; D678-V681 WeakPolarHBondContact O-CA 3.32Å; D678-V681 WeakPolarHBondContact O-CB 3.49Å; D678-V681 PolarHBondContact O-N 3.05Å; V681-M683 VanDerWaalsContact C-N 3.27Å; V681-M683 PolarHBondContact O-N 2.96Å; V681-I684 PolarHBondContact O-N 3.14Å; V681-I684 VanDerWaalsContact O-N 3.11Å; V681-S685 PolarHBondContact O-N 3.3Å; V681-I844 HydrophobicContact CG1-CD1 4.34Å; V681-I844 HydrophobicContact CG2-CD1 4.19Å; V681-S847 WeakPolarHBondContact CG2-OG 3.38Å
682Q91.6Very high91.2Very high38 Ų3839.7 Ų39.718%0.17820%0.199CC..Hα-helixtrans-57.4-42.1171.4-69.3-178.2-2.200111.5D676 D678 K679 I684 S685 L686D676-Q682 WeakPolarHBondContact O-CG 3.27Å; D676-Q682 PolarHBondContact O-NE2 2.85Å; D676-Q682 WeakPolarHBondContact OD1-CG 3.4Å; D676-Q682 PolarHBondContact OD1-NE2 3.27Å; D678-Q682 PolarHBondContact O-N 3.26Å; K679-Q682 PolarHBondContact O-N 2.81Å; Q682-I684 VanDerWaalsContact C-N 3.34Å; Q682-I684 PolarHBondContact O-N 3.21Å; Q682-S685 WeakPolarHBondContact O-CB 3.48Å; Q682-S685 PolarHBondContact O-N 2.93Å; Q682-L686 PolarHBondContact O-N 3.06Å
683M92.2Very high91.3Very high54 Ų5439.6 Ų39.627%0.26620%0.199SC..Hα-helixtrans-62.4-39.4175.2-171.162.761.300112.3K679 E680 V681 L686 K687 I715 Y719K679-M683 PolarHBondContact O-N 3Å; E680-M683 WeakPolarHBondContact O-CB 3.35Å; E680-M683 PolarHBondContact O-N 2.87Å; V681-M683 VanDerWaalsContact C-N 3.27Å; V681-M683 PolarHBondContact O-N 2.96Å; M683-L686 WeakPolarHBondContact O-CB 3.45Å; M683-L686 PolarHBondContact O-N 3.33Å; M683-L686 HydrophobicContact SD-CD2 4.04Å; M683-K687 WeakPolarHBondContact O-CG 3.41Å; M683-K687 PolarHBondContact O-N 3.38Å; M683-K687 VanDerWaalsContact O-N 3.07Å; M683-I715 HydrophobicContact CE-CD1 4.32Å; M683-I715 HydrophobicContact CE-CG2 3.65Å; M683-I715 HydrophobicContact SD-CD1 4.4Å; M683-Y719 HydrophobicContact CE-CD2 4.39Å; M683-Y719 HydrophobicContact CE-CE2 3.77Å; M683-Y719 HydrophobicContact SD-CD2 4.46Å; M683-Y719 HydrophobicContact SD-CE2 3.54Å; M683-Y719 VanDerWaalsContact SD-CE2 3.54Å
684I93.2Very high91.4Very high4 Ų438.8 Ų38.82%0.02119%0.191CC..Hα-helixtrans-67.4-39.5175.4-65.4169.7000110.5L672 E680 V681 Q682 L686 K687 I688 L817 T818 D840 K843 I844L672-I684 HydrophobicContact CD1-CB 4.14Å; L672-I684 HydrophobicContact CD1-CG2 3.51Å; E680-I684 WeakPolarHBondContact O-CG1 3.45Å; E680-I684 PolarHBondContact O-N 3.13Å; V681-I684 PolarHBondContact O-N 3.14Å; V681-I684 VanDerWaalsContact O-N 3.11Å; Q682-I684 VanDerWaalsContact C-N 3.34Å; Q682-I684 PolarHBondContact O-N 3.21Å; I684-L686 VanDerWaalsContact C-N 3.34Å; I684-L686 PolarHBondContact O-N 3.4Å; I684-K687 WeakPolarHBondContact O-CB 3.48Å; I684-K687 PolarHBondContact O-N 3.09Å; I684-I688 WeakPolarHBondContact O-CG1 3.37Å; I684-I688 PolarHBondContact O-N 3.24Å; I684-L817 HydrophobicContact CG2-CD2 4.3Å; I684-T818 HydrophobicContact CG2-CG2 3.52Å; I684-D840 HydrophobicContact CD1-CB 4.11Å; I684-D840 HydrophobicContact CG1-CB 4.29Å; I684-K843 HydrophobicContact CD1-CB 4.28Å; I684-K843 HydrophobicContact CD1-CG 4.2Å; I684-I844 HydrophobicContact CD1-CD1 3.63Å; I684-I844 HydrophobicContact CD1-CG1 3.87Å; I684-I844 HydrophobicContact CG2-CD1 4.22Å; I684-I844 HydrophobicContact CG2-CG1 4.3Å
685S93.2Very high91.6Very high17 Ų1735.6 Ų35.612%0.11918%0.177CC..Hα-helixtrans-62.3-40.5174.1-1700000112V681 Q682 K687 I688 S689V681-S685 PolarHBondContact O-N 3.3Å; Q682-S685 WeakPolarHBondContact O-CB 3.48Å; Q682-S685 PolarHBondContact O-N 2.93Å; S685-K687 PolarHBondContact O-N 3.28Å; S685-I688 WeakPolarHBondContact O-CB 3.41Å; S685-I688 PolarHBondContact O-N 3.09Å; S685-I688 VanDerWaalsContact O-N 3.16Å; S685-S689 PolarHBondContact O-N 3.31Å; S685-S689 PolarHBondContact O-OG 3.11Å
686L93.7Very high91.7Very high1 Ų135 Ų351%0.00517%0.172CC..Hα-helixtrans-59-46.4172.7179.172.6000111.9Q682 M683 I684 I688 S689 F690 A711 A712 I715 Y719Q682-L686 PolarHBondContact O-N 3.06Å; M683-L686 WeakPolarHBondContact O-CB 3.45Å; M683-L686 PolarHBondContact O-N 3.33Å; M683-L686 HydrophobicContact SD-CD2 4.04Å; I684-L686 VanDerWaalsContact C-N 3.34Å; I684-L686 PolarHBondContact O-N 3.4Å; L686-I688 PolarHBondContact O-N 2.87Å; L686-S689 WeakPolarHBondContact O-CB 3.48Å; L686-S689 PolarHBondContact O-N 2.84Å; L686-S689 VanDerWaalsContact O-N 3.08Å; L686-F690 HydrophobicContact CD1-CD1 4.1Å; L686-F690 HydrophobicContact CD1-CE1 3.45Å; L686-F690 VanDerWaalsContact CD1-CE1 3.45Å; L686-F690 HydrophobicContact CD1-CE2 4.47Å; L686-F690 HydrophobicContact CD1-CZ 3.66Å; L686-F690 HydrophobicContact CD2-CE2 4.35Å; L686-F690 HydrophobicContact CD2-CZ 4.14Å; L686-F690 HydrophobicContact CG-CD1 4.46Å; L686-F690 HydrophobicContact CG-CE1 4.07Å; L686-F690 HydrophobicContact CG-CE2 4.32Å; L686-F690 HydrophobicContact CG-CZ 3.97Å; L686-F690 PolarHBondContact O-N 3.24Å; L686-A711 VanDerWaalsContact CD1-C 3.49Å; L686-A711 HydrophobicContact CD1-CB 3.69Å; L686-A712 HydrophobicContact CD1-CB 3.96Å; L686-A712 VanDerWaalsContact CD1-N 3.32Å; L686-I715 HydrophobicContact CB-CD1 3.44Å; L686-I715 VanDerWaalsContact CB-CD1 3.44Å; L686-I715 HydrophobicContact CD1-CD1 4.24Å; L686-I715 HydrophobicContact CD2-CD1 3.54Å; L686-I715 HydrophobicContact CG-CD1 3.91Å; L686-Y719 HydrophobicContact CD2-CD1 3.79Å; L686-Y719 HydrophobicContact CD2-CD2 3.76Å; L686-Y719 HydrophobicContact CD2-CE1 3.83Å; L686-Y719 HydrophobicContact CD2-CE2 3.79Å; L686-Y719 HydrophobicContact CD2-CG 3.72Å
687K94.4Very high91.9Very high34 Ų3435.7 Ų35.715%0.14818%0.175CC..Hα-helixtrans-57.9-38.8176.1-70.2175.3177.5177.30111.7M683 I684 S685 S691 T818 Y820 D840M683-K687 WeakPolarHBondContact O-CG 3.41Å; M683-K687 PolarHBondContact O-N 3.38Å; M683-K687 VanDerWaalsContact O-N 3.07Å; I684-K687 WeakPolarHBondContact O-CB 3.48Å; I684-K687 PolarHBondContact O-N 3.09Å; S685-K687 PolarHBondContact O-N 3.28Å; K687-S691 PolarHBondContact O-N 3Å; K687-S691 VanDerWaalsContact O-N 3.08Å; K687-S691 PolarHBondContact O-OG 3.48Å; K687-T818 HydrophobicContact CB-CG2 4.29Å; K687-T818 HydrophobicContact CD-CG2 4.43Å; K687-Y820 HydrophobicContact CB-CD1 4.47Å; K687-Y820 HydrophobicContact CB-CD2 3.54Å; K687-Y820 HydrophobicContact CB-CE1 4.34Å; K687-Y820 HydrophobicContact CB-CE2 3.46Å; K687-Y820 VanDerWaalsContact CB-CE2 3.46Å; K687-Y820 HydrophobicContact CB-CG 4.07Å; K687-Y820 HydrophobicContact CD-CD1 4.27Å; K687-Y820 HydrophobicContact CD-CE1 4.4Å; K687-Y820 HydrophobicContact CD-CG 4.33Å; K687-Y820 HydrophobicContact CG-CD1 4.08Å; K687-Y820 HydrophobicContact CG-CD2 4.05Å; K687-Y820 HydrophobicContact CG-CE1 3.8Å; K687-Y820 HydrophobicContact CG-CE2 3.85Å; K687-Y820 HydrophobicContact CG-CG 4.16Å; K687-Y820 VanDerWaalsContact O-CD2 3.26Å; K687-Y820 WeakPolarHBondContact O-CD2 3.34Å; K687-Y820 WeakPolarHBondContact O-CE2 3.4Å; K687-D840 IonicContact NZ-OD1 3.97Å; K687-D840 PolarHBondContact NZ-OD1 3.37Å; K687-D840 IonicContact NZ-OD2 2.71Å; K687-D840 PolarHBondContact NZ-OD2 3.02Å
688I95.1Very high92.2Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-64-47.7174-65.1165.3000110.7Y665 N668 R669 L672 I684 S685 L686 F690 S691 L692 T818Y665-I688 WeakPolarHBondContact O-CG2 3.09Å; N668-I688 HydrophobicContact CB-CD1 4.07Å; R669-I688 HydrophobicContact CB-CB 4.43Å; R669-I688 HydrophobicContact CB-CD1 4.42Å; R669-I688 HydrophobicContact CB-CG2 3.81Å; R669-I688 HydrophobicContact CG-CB 4.33Å; R669-I688 HydrophobicContact CG-CG2 4.1Å; L672-I688 HydrophobicContact CD1-CD1 3.6Å; L672-I688 HydrophobicContact CG-CD1 4.46Å; I684-I688 WeakPolarHBondContact O-CG1 3.37Å; I684-I688 PolarHBondContact O-N 3.24Å; S685-I688 WeakPolarHBondContact O-CB 3.41Å; S685-I688 PolarHBondContact O-N 3.09Å; S685-I688 VanDerWaalsContact O-N 3.16Å; L686-I688 PolarHBondContact O-N 2.87Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 3.17Å; I688-S691 PolarHBondContact O-N 3.33Å; I688-S691 VanDerWaalsContact O-N 3.1Å; I688-L692 HydrophobicContact CG2-CD1 3.84Å; I688-L692 HydrophobicContact CG2-CG 4.18Å; I688-L692 WeakPolarHBondContact O-CG 3.42Å; I688-L692 PolarHBondContact O-N 3.42Å; I688-T818 WeakPolarHBondContact CA-O 3.27Å; I688-T818 HydrophobicContact CG1-CG2 4.34Å
689S94.4Very high92.4Very high4 Ų426.4 Ų26.43%0.02813%0.126CC..Hα-helixtrans-58.5-39.4178.9-61.40000113.2R669 S685 L686 L692R669-S689 WeakPolarHBondContact CD-OG 3.17Å; S685-S689 PolarHBondContact O-N 3.31Å; S685-S689 PolarHBondContact O-OG 3.11Å; L686-S689 WeakPolarHBondContact O-CB 3.48Å; L686-S689 PolarHBondContact O-N 2.84Å; L686-S689 VanDerWaalsContact O-N 3.08Å; S689-L692 PolarHBondContact O-N 2.99Å
690F94.8Very high92.5Very high1 Ų119 Ų190%0.00410%0.096CC..Hα-helixtrans-69.1-36176.5-76.612000112.1L686 I688 L692 L693 A708 A712 Y719 A722 F726 P793 Y800 A802 Y820L686-F690 HydrophobicContact CD1-CD1 4.1Å; L686-F690 HydrophobicContact CD1-CE1 3.45Å; L686-F690 VanDerWaalsContact CD1-CE1 3.45Å; L686-F690 HydrophobicContact CD1-CE2 4.47Å; L686-F690 HydrophobicContact CD1-CZ 3.66Å; L686-F690 HydrophobicContact CD2-CE2 4.35Å; L686-F690 HydrophobicContact CD2-CZ 4.14Å; L686-F690 HydrophobicContact CG-CD1 4.46Å; L686-F690 HydrophobicContact CG-CE1 4.07Å; L686-F690 HydrophobicContact CG-CE2 4.32Å; L686-F690 HydrophobicContact CG-CZ 3.97Å; L686-F690 PolarHBondContact O-N 3.24Å; I688-F690 VanDerWaalsContact C-N 3.3Å; I688-F690 PolarHBondContact O-N 3.17Å; F690-L692 VanDerWaalsContact C-N 3.35Å; F690-L693 WeakPolarHBondContact O-CB 3.31Å; F690-L693 PolarHBondContact O-N 3.16Å; F690-A708 HydrophobicContact CD1-CB 4.11Å; F690-A708 HydrophobicContact CE1-CB 4.42Å; F690-A712 HydrophobicContact CE1-CB 3.98Å; F690-A712 HydrophobicContact CZ-CB 3.93Å; F690-Y719 AromaticContact CE2-CD1 3.83Å; F690-Y719 HydrophobicContact CE2-CD1 3.83Å; F690-Y719 AromaticContact CE2-CE1 3.86Å; F690-Y719 HydrophobicContact CE2-CE1 3.86Å; F690-Y719 AromaticContact CZ-CD1 4Å; F690-Y719 HydrophobicContact CZ-CD1 4Å; F690-Y719 HydrophobicContact CZ-CE1 4.45Å; F690-A722 HydrophobicContact CE2-CB 4.4Å; F690-A722 HydrophobicContact CZ-CB 3.93Å; F690-F726 AromaticContact CD1-CE2 3.81Å; F690-F726 HydrophobicContact CD1-CE2 3.81Å; F690-F726 HydrophobicContact CD1-CZ 4.49Å; F690-F726 AromaticContact CE1-CD2 3.98Å; F690-F726 HydrophobicContact CE1-CD2 3.98Å; F690-F726 AromaticContact CE1-CE2 3.44Å; F690-F726 HydrophobicContact CE1-CE2 3.44Å; F690-F726 VanDerWaalsContact CE1-CE2 3.44Å; F690-F726 HydrophobicContact CE1-CZ 4.47Å; F690-F726 HydrophobicContact CE2-CE2 4.34Å; F690-F726 HydrophobicContact CG-CE2 4.4Å; F690-F726 AromaticContact CZ-CE2 3.77Å; F690-F726 HydrophobicContact CZ-CE2 3.77Å; F690-P793 HydrophobicContact CE2-CG 4.15Å; F690-Y800 WeakPolarHBondContact CB-OH 3.4Å; F690-Y800 HydrophobicContact CD2-CE2 4.36Å; F690-Y800 VanDerWaalsContact CD2-OH 3.31Å; F690-Y800 WeakPolarHBondContact CD2-OH 3.13Å; F690-Y800 WeakPolarHBondContact CG-OH 3.33Å; F690-A802 HydrophobicContact CB-CB 3.99Å; F690-Y820 HydrophobicContact CB-CE2 3.92Å; F690-Y820 WeakPolarHBondContact CD2-OH 3.48Å
691S93.8Very high92.5Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-69.4-34175-590000112.6K687 I688 L693 R694 Y695 T818 G819 Y820K687-S691 PolarHBondContact O-N 3Å; K687-S691 VanDerWaalsContact O-N 3.08Å; K687-S691 PolarHBondContact O-OG 3.48Å; I688-S691 PolarHBondContact O-N 3.33Å; I688-S691 VanDerWaalsContact O-N 3.1Å; S691-L693 PolarHBondContact O-N 3.2Å; S691-R694 WeakPolarHBondContact O-CB 3.44Å; S691-R694 PolarHBondContact O-N 3.48Å; S691-R694 VanDerWaalsContact O-N 3.09Å; S691-Y695 WeakPolarHBondContact O-CD2 3.28Å; S691-Y695 WeakPolarHBondContact O-CE2 3.41Å; S691-T818 WeakPolarHBondContact CB-O 3.22Å; S691-T818 PolarHBondContact OG-O 3.39Å; S691-G819 WeakPolarHBondContact OG-CA 3.42Å; S691-G819 PolarHBondContact OG-O 3.27Å; S691-Y820 VanDerWaalsContact OG-CD2 3.27Å; S691-Y820 WeakPolarHBondContact OG-CD2 3.42Å; S691-Y820 PolarHBondContact OG-N 2.96Å
692L94.3Very high92.5Very high1 Ų113.7 Ų13.71%0.0057%0.07CC..Hα-helixtrans-63.1-22.1177.1-76.7168.4000112.9Q666 R669 I688 S689 F690 R694 Y695 L699Q666-L692 VanDerWaalsContact OE1-CD1 3.3Å; R669-L692 VanDerWaalsContact NH1-CD1 3.27Å; I688-L692 HydrophobicContact CG2-CD1 3.84Å; I688-L692 HydrophobicContact CG2-CG 4.18Å; I688-L692 WeakPolarHBondContact O-CG 3.42Å; I688-L692 PolarHBondContact O-N 3.42Å; S689-L692 PolarHBondContact O-N 2.99Å; F690-L692 VanDerWaalsContact C-N 3.35Å; L692-R694 PolarHBondContact O-N 2.71Å; L692-Y695 PolarHBondContact O-N 2.99Å; L692-L699 HydrophobicContact CD2-CD1 3.86Å
693L93.5Very high92.6Very high0 Ų012.1 Ų12.10%06%0.063CC..G310 helixtrans-60.9-26.2172.7-63.7174.7000112.8F690 S691 Y695 S696 V704 F705 A708 F726 I755F690-L693 WeakPolarHBondContact O-CB 3.31Å; F690-L693 PolarHBondContact O-N 3.16Å; S691-L693 PolarHBondContact O-N 3.2Å; L693-Y695 PolarHBondContact O-N 2.99Å; L693-S696 WeakPolarHBondContact O-CB 3.43Å; L693-S696 PolarHBondContact O-N 2.93Å; L693-S696 PolarHBondContact O-OG 3.31Å; L693-V704 HydrophobicContact CD2-CB 4.14Å; L693-V704 HydrophobicContact CD2-CG2 4.08Å; L693-V704 WeakPolarHBondContact CD2-O 3.27Å; L693-F705 HydrophobicContact CD2-CD1 3.59Å; L693-F705 HydrophobicContact CD2-CD2 4.46Å; L693-F705 HydrophobicContact CD2-CE1 3.82Å; L693-F705 HydrophobicContact CD2-CG 3.94Å; L693-F705 HydrophobicContact CD2-CZ 4.34Å; L693-A708 HydrophobicContact CD1-CB 4.05Å; L693-A708 HydrophobicContact CD2-CB 3.88Å; L693-A708 HydrophobicContact CG-CB 4.07Å; L693-F726 HydrophobicContact CD1-CD1 3.81Å; L693-F726 HydrophobicContact CD1-CD2 4.47Å; L693-F726 HydrophobicContact CD1-CE1 3.34Å; L693-F726 HydrophobicContact CD1-CE2 4.08Å; L693-F726 HydrophobicContact CD1-CG 4.37Å; L693-F726 HydrophobicContact CD1-CZ 3.51Å; L693-I755 HydrophobicContact CB-CD1 4.04Å; L693-I755 HydrophobicContact CB-CG1 4.14Å; L693-I755 HydrophobicContact CD1-CD1 4.14Å
694R92.4Very high92.6Very high14 Ų149.7 Ų9.75%0.0535%0.051CC..G310 helixtrans-70.8-12.4175.8-60.1-171.1-55.4-103.7-2.4113.8S691 L692 D754 P756 A802 G819S691-R694 WeakPolarHBondContact O-CB 3.44Å; S691-R694 PolarHBondContact O-N 3.48Å; S691-R694 VanDerWaalsContact O-N 3.09Å; L692-R694 PolarHBondContact O-N 2.71Å; R694-D754 WeakPolarHBondContact CD-OD1 3.32Å; R694-D754 WeakPolarHBondContact CD-OD2 3.48Å; R694-D754 IonicContact NE-OD2 2.67Å; R694-P756 WeakPolarHBondContact O-CD 3.29Å; R694-P756 VanDerWaalsContact O-CG 3.23Å; R694-P756 WeakPolarHBondContact O-CG 3.37Å; R694-A802 PolarHBondContact NH1-O 2.68Å; R694-G819 PolarHBondContact NH1-O 3.18Å; R694-G819 VanDerWaalsContact NH1-O 3.07Å; R694-G819 PolarHBondContact NH2-O 3.29Å
695Y92.8Very high92.6Very high9 Ų99.5 Ų9.54%0.0355%0.05CC..G310 helixtrans-108.122.9-179.3-54.9-90.9000111.2H658 D661 A662 Y665 S691 L692 L693 D697 V698 L699H658-Y695 AromaticContact CD2-CD1 3.82Å; H658-Y695 AromaticContact CE1-CD1 3.16Å; H658-Y695 WeakPolarHBondContact CE1-CD1 3.43Å; H658-Y695 AromaticContact CE1-CE1 3.41Å; H658-Y695 VanDerWaalsContact CE1-CE1 3.41Å; H658-Y695 WeakPolarHBondContact CE1-CE1 3.36Å; H658-Y695 AromaticContact CE1-CG 3.98Å; H658-Y695 AromaticContact CG-CD1 3.72Å; H658-Y695 AromaticContact CG-CE1 3.95Å; H658-Y695 AromaticContact ND1-CD1 3.31Å; H658-Y695 VanDerWaalsContact ND1-CD1 3.31Å; H658-Y695 WeakPolarHBondContact ND1-CD1 3.44Å; H658-Y695 AromaticContact ND1-CE1 3.22Å; H658-Y695 WeakPolarHBondContact ND1-CE1 3.25Å; H658-Y695 AromaticContact NE2-CD1 3.47Å; H658-Y695 WeakPolarHBondContact NE2-CD1 3.33Å; H658-Y695 WeakPolarHBondContact O-CD1 3.47Å; D661-Y695 HydrophobicContact CB-CD1 4.38Å; D661-Y695 HydrophobicContact CB-CE1 3.4Å; D661-Y695 VanDerWaalsContact CB-CE1 3.4Å; D661-Y695 WeakPolarHBondContact CB-OH 3.49Å; D661-Y695 PolarHBondContact OD2-OH 3.22Å; D661-Y695 VanDerWaalsContact OD2-OH 3.08Å; A662-Y695 HydrophobicContact CB-CD1 3.9Å; A662-Y695 HydrophobicContact CB-CG 3.95Å; Y665-Y695 AromaticContact CD2-CE2 3.9Å; Y665-Y695 HydrophobicContact CD2-CE2 3.9Å; Y665-Y695 HydrophobicContact CE2-CE2 4.03Å; Y665-Y695 AromaticContact CE2-CZ 3.95Å; Y665-Y695 WeakPolarHBondContact CE2-OH 3.2Å; S691-Y695 WeakPolarHBondContact O-CD2 3.28Å; S691-Y695 WeakPolarHBondContact O-CE2 3.41Å; L692-Y695 PolarHBondContact O-N 2.99Å; L693-Y695 PolarHBondContact O-N 2.99Å; Y695-D697 VanDerWaalsContact C-OD1 3.23Å; Y695-D697 WeakPolarHBondContact CA-OD1 3.41Å; Y695-D697 PolarHBondContact O-N 2.93Å; Y695-V698 PolarHBondContact O-N 3.24Å; Y695-V698 VanDerWaalsContact O-N 3.16Å; Y695-L699 WeakPolarHBondContact O-CB 3.44Å; Y695-L699 PolarHBondContact O-N 3.49Å
696S90.6Very high92.7Very high1 Ų19.7 Ų9.71%0.0075%0.048CC..THydrogen-bonded Turntrans-69.5-6.8179.361.20000114.4L693 L699L693-S696 WeakPolarHBondContact O-CB 3.43Å; L693-S696 PolarHBondContact O-N 2.93Å; L693-S696 PolarHBondContact O-OG 3.31Å; S696-L699 CarbonylContact C-O 3.59Å; S696-L699 VanDerWaalsContact O-O 3.1Å
697D87.6Confident92.6Very high71 Ų7110.3 Ų10.338%0.385%0.051SC..THydrogen-bonded Turntrans-82.2-26.3171.360.6-40.6000112.9H658 Y695 P756H658-D697 IonicContact CD2-OD1 3.3Å; H658-D697 PolarHBondContact CD2-OD1 3.28Å; H658-D697 IonicContact CD2-OD2 2.7Å; H658-D697 PolarHBondContact CD2-OD2 3.19Å; H658-D697 VanDerWaalsContact CD2-OD2 3.29Å; H658-D697 IonicContact CE1-OD1 3.93Å; H658-D697 IonicContact NE2-OD1 2.83Å; H658-D697 PolarHBondContact NE2-OD1 3.17Å; H658-D697 IonicContact NE2-OD2 3.14Å; H658-D697 PolarHBondContact NE2-OD2 2.95Å; Y695-D697 VanDerWaalsContact C-OD1 3.23Å; Y695-D697 WeakPolarHBondContact CA-OD1 3.41Å; Y695-D697 PolarHBondContact O-N 2.93Å; D697-P756 HydrophobicContact CB-CB 4.23Å; D697-P756 HydrophobicContact CB-CG 4.27Å
698V90.3Very high92.6Very high18 Ų188.7 Ų8.711%0.1094%0.044CC..THydrogen-bonded Turntrans-109.2-38.6179.8171.30000112.2F615 F655 C659 Y695F615-V698 HydrophobicContact CD2-CG1 3.57Å; F615-V698 HydrophobicContact CE2-CG1 3.3Å; F615-V698 HydrophobicContact CZ-CG1 4.41Å; F655-V698 HydrophobicContact CD2-CG2 4.44Å; F655-V698 HydrophobicContact CE2-CG2 3.98Å; C659-V698 HydrophobicContact CB-CG1 4.47Å; C659-V698 VanDerWaalsContact SG-CG1 3.51Å; Y695-V698 PolarHBondContact O-N 3.24Å; Y695-V698 VanDerWaalsContact O-N 3.16Å
699L91.2Very high92.6Very high6 Ų68.7 Ų8.73%0.0314%0.044CC..SBendtrans-88.6147.3173.1-61.8176.4000109.8F615 A662 L692 Y695 S696 A701 V704F615-L699 HydrophobicContact CB-CD2 3.91Å; F615-L699 HydrophobicContact CD1-CD2 3.56Å; F615-L699 HydrophobicContact CD2-CD2 3.91Å; F615-L699 HydrophobicContact CE1-CD2 3.94Å; F615-L699 HydrophobicContact CE2-CD2 4.27Å; F615-L699 HydrophobicContact CG-CD2 3.53Å; F615-L699 HydrophobicContact CZ-CD2 4.28Å; A662-L699 HydrophobicContact CB-CD1 4.11Å; A662-L699 HydrophobicContact CB-CD2 4.38Å; A662-L699 HydrophobicContact CB-CG 4.16Å; L692-L699 HydrophobicContact CD2-CD1 3.86Å; Y695-L699 WeakPolarHBondContact O-CB 3.44Å; Y695-L699 PolarHBondContact O-N 3.49Å; S696-L699 CarbonylContact C-O 3.59Å; S696-L699 VanDerWaalsContact O-O 3.1Å; L699-A701 PolarHBondContact O-N 2.94Å; L699-A701 VanDerWaalsContact O-N 3.11Å; L699-V704 HydrophobicContact CB-CG1 3.64Å; L699-V704 HydrophobicContact CD1-CG1 3.73Å; L699-V704 HydrophobicContact CG-CG1 4.35Å
700P91.3Very high92.5Very high14 Ų1411.1 Ų11.19%0.0916%0.056CC..  trans-53.5120.5174.2-25.833.7000111.4D616 D702 R703 V704 P762D616-P700 WeakPolarHBondContact OD1-CG 3.35Å; P700-D702 VanDerWaalsContact C-N 3.34Å; P700-D702 WeakPolarHBondContact CB-OD1 3.43Å; P700-D702 PolarHBondContact O-N 2.81Å; P700-R703 HydrophobicContact CB-CB 4.04Å; P700-R703 WeakPolarHBondContact O-CB 3.34Å; P700-R703 PolarHBondContact O-N 3.44Å; P700-V704 PolarHBondContact O-N 3.19Å; P700-V704 VanDerWaalsContact O-N 3.15Å; P700-P762 HydrophobicContact CB-CB 4.29Å
701A91.2Very high92.4Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-58.1-47.3-17400000111.4L699 R703 V704 F705 L733L699-A701 PolarHBondContact O-N 2.94Å; L699-A701 VanDerWaalsContact O-N 3.11Å; A701-R703 VanDerWaalsContact C-N 3.29Å; A701-R703 PolarHBondContact O-N 3.21Å; A701-V704 WeakPolarHBondContact O-CG2 3.37Å; A701-V704 PolarHBondContact O-N 3.47Å; A701-F705 HydrophobicContact CB-CD2 4.45Å; A701-F705 WeakPolarHBondContact O-CD2 3.23Å; A701-F705 PolarHBondContact O-N 3.38Å; A701-L733 HydrophobicContact CB-CD1 3.91Å; A701-L733 HydrophobicContact CB-CD2 4.32Å
702D91.6Very high92.4Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-54.8-43.7178.166.9-30.7000112.3P700 Y706 F730 P762 F766P700-D702 VanDerWaalsContact C-N 3.34Å; P700-D702 WeakPolarHBondContact CB-OD1 3.43Å; P700-D702 PolarHBondContact O-N 2.81Å; D702-Y706 WeakPolarHBondContact O-CB 3.41Å; D702-Y706 PolarHBondContact O-N 3.12Å; D702-F730 HydrophobicContact CB-CD2 4.11Å; D702-F730 HydrophobicContact CB-CE2 4.19Å; D702-F730 WeakPolarHBondContact O-CD2 3.43Å; D702-P762 HydrophobicContact CB-CG 4.07Å; D702-P762 WeakPolarHBondContact OD1-CG 3.12Å; D702-F766 VanDerWaalsContact OD2-CB 3.24Å; D702-F766 WeakPolarHBondContact OD2-CB 3.49Å; D702-F766 PolarHBondContact OD2-N 3.1Å
703R92.1Very high92.3Very high6 Ų614.8 Ų14.82%0.0238%0.077CC..Hα-helixtrans-61.3-52.6176.3175.3178.7177.7-177.8-4.2112.1F615 H617 Y629 P700 A701 F705 Y706 E707 F766F615-R703 PolarHBondContact O-NH1 3.33Å; H617-R703 PolarHBondContact O-NH1 3.48Å; Y629-R703 PolarHBondContact OH-NH1 2.56Å; Y629-R703 VanDerWaalsContact OH-NH1 3.12Å; Y629-R703 PolarHBondContact OH-NH2 3.31Å; P700-R703 HydrophobicContact CB-CB 4.04Å; P700-R703 WeakPolarHBondContact O-CB 3.34Å; P700-R703 PolarHBondContact O-N 3.44Å; A701-R703 VanDerWaalsContact C-N 3.29Å; A701-R703 PolarHBondContact O-N 3.21Å; R703-F705 VanDerWaalsContact C-N 3.33Å; R703-F705 PolarHBondContact O-N 2.71Å; R703-Y706 PolarHBondContact O-N 3.14Å; R703-E707 HydrophobicContact CG-CG 4.23Å; R703-E707 IonicContact CZ-OE1 3.09Å; R703-E707 IonicContact NE-OE1 2.88Å; R703-E707 PolarHBondContact NE-OE1 3.38Å; R703-E707 VanDerWaalsContact NE-OE1 3.12Å; R703-E707 IonicContact NE-OE2 3.83Å; R703-E707 IonicContact NH2-OE1 3.58Å; R703-E707 WeakPolarHBondContact O-CB 3.15Å; R703-E707 VanDerWaalsContact O-CG 3.25Å; R703-E707 WeakPolarHBondContact O-CG 3.41Å; R703-E707 PolarHBondContact O-N 3.03Å; R703-F766 HydrophobicContact CB-CB 3.96Å; R703-F766 HydrophobicContact CB-CD1 4.06Å; R703-F766 HydrophobicContact CB-CD2 3.66Å; R703-F766 HydrophobicContact CB-CE2 4.13Å; R703-F766 HydrophobicContact CB-CG 3.61Å; R703-F766 VanDerWaalsContact CD-CE2 3.46Å; R703-F766 HydrophobicContact CG-CD1 4.14Å; R703-F766 HydrophobicContact CG-CD2 3.58Å; R703-F766 HydrophobicContact CG-CE1 4.1Å; R703-F766 HydrophobicContact CG-CE2 3.5Å; R703-F766 HydrophobicContact CG-CG 3.89Å; R703-F766 HydrophobicContact CG-CZ 3.77Å
704V93.2Very high92.1Very high2 Ų220.4 Ų20.41%0.01210%0.102CC..Hα-helixtrans-66.3-38.1-174.1-64.90000111.3L693 L699 P700 A701 A708L693-V704 HydrophobicContact CD2-CB 4.14Å; L693-V704 HydrophobicContact CD2-CG2 4.08Å; L693-V704 WeakPolarHBondContact CD2-O 3.27Å; L699-V704 HydrophobicContact CB-CG1 3.64Å; L699-V704 HydrophobicContact CD1-CG1 3.73Å; L699-V704 HydrophobicContact CG-CG1 4.35Å; P700-V704 PolarHBondContact O-N 3.19Å; P700-V704 VanDerWaalsContact O-N 3.15Å; A701-V704 WeakPolarHBondContact O-CG2 3.37Å; A701-V704 PolarHBondContact O-N 3.47Å; V704-A708 WeakPolarHBondContact O-CB 3.45Å; V704-A708 PolarHBondContact O-N 3.41Å
705F94Very high92Very high1 Ų122 Ų220%0.00411%0.111CC..Hα-helixtrans-68.2-42.6175.2-78.3-71.9000112.3L693 A701 R703 G709 F726 H729 F730 L733 F750 I755L693-F705 HydrophobicContact CD2-CD1 3.59Å; L693-F705 HydrophobicContact CD2-CD2 4.46Å; L693-F705 HydrophobicContact CD2-CE1 3.82Å; L693-F705 HydrophobicContact CD2-CG 3.94Å; L693-F705 HydrophobicContact CD2-CZ 4.34Å; A701-F705 HydrophobicContact CB-CD2 4.45Å; A701-F705 WeakPolarHBondContact O-CD2 3.23Å; A701-F705 PolarHBondContact O-N 3.38Å; R703-F705 VanDerWaalsContact C-N 3.33Å; R703-F705 PolarHBondContact O-N 2.71Å; F705-G709 PolarHBondContact O-N 3Å; F705-F726 HydrophobicContact CD1-CB 4.34Å; F705-F726 AromaticContact CD1-CD1 3.91Å; F705-F726 HydrophobicContact CD1-CD1 3.91Å; F705-F726 HydrophobicContact CE1-CD1 4.07Å; F705-H729 AromaticContact CD1-CD2 3.76Å; F705-H729 AromaticContact CD2-CD2 3.59Å; F705-H729 AromaticContact CE1-CD2 3.57Å; F705-H729 AromaticContact CE2-CD2 3.41Å; F705-H729 VanDerWaalsContact CE2-CD2 3.41Å; F705-H729 WeakPolarHBondContact CE2-CD2 3.27Å; F705-H729 AromaticContact CE2-NE2 3.57Å; F705-H729 AromaticContact CG-CD2 3.79Å; F705-H729 AromaticContact CZ-CD2 3.4Å; F705-H729 VanDerWaalsContact CZ-CD2 3.4Å; F705-H729 WeakPolarHBondContact CZ-CD2 3.01Å; F705-H729 AromaticContact CZ-NE2 3.64Å; F705-F730 HydrophobicContact CB-CB 4.04Å; F705-L733 HydrophobicContact CD2-CD1 3.54Å; F705-L733 HydrophobicContact CE2-CD1 4.11Å; F705-L733 HydrophobicContact CG-CD1 4.32Å; F705-F750 HydrophobicContact CD1-CZ 4.4Å; F705-F750 AromaticContact CE1-CE1 3.96Å; F705-F750 HydrophobicContact CE1-CE1 3.96Å; F705-F750 HydrophobicContact CE1-CE2 4.15Å; F705-F750 AromaticContact CE1-CZ 3.58Å; F705-F750 HydrophobicContact CE1-CZ 3.58Å; F705-F750 HydrophobicContact CZ-CE2 4.32Å; F705-F750 HydrophobicContact CZ-CZ 4.19Å; F705-I755 HydrophobicContact CZ-CG2 4.07Å
706Y94.1Very high91.8Very high20 Ų2022.6 Ų22.68%0.07812%0.119CC..Hα-helixtrans-60.2-50.9173.8176.6-98000111.8D702 R703 A708 G709 M710 F730 F766 E771 V775D702-Y706 WeakPolarHBondContact O-CB 3.41Å; D702-Y706 PolarHBondContact O-N 3.12Å; R703-Y706 PolarHBondContact O-N 3.14Å; Y706-A708 PolarHBondContact O-N 2.85Å; Y706-G709 PolarHBondContact O-N 2.91Å; Y706-M710 HydrophobicContact CD1-CG 4.21Å; Y706-M710 HydrophobicContact CD2-CG 4.16Å; Y706-M710 HydrophobicContact CE1-CG 3.88Å; Y706-M710 HydrophobicContact CE2-CG 3.82Å; Y706-M710 HydrophobicContact CE2-SD 4.14Å; Y706-M710 HydrophobicContact CG-CG 4.35Å; Y706-M710 WeakPolarHBondContact O-CB 3.45Å; Y706-M710 VanDerWaalsContact O-CG 3.23Å; Y706-M710 WeakPolarHBondContact O-CG 3.5Å; Y706-M710 PolarHBondContact O-N 3.37Å; Y706-F730 HydrophobicContact CD2-CD1 4.14Å; Y706-F730 AromaticContact CD2-CE1 3.77Å; Y706-F730 HydrophobicContact CD2-CE1 3.77Å; Y706-F730 HydrophobicContact CD2-CE2 4.16Å; Y706-F730 HydrophobicContact CD2-CG 4.49Å; Y706-F730 AromaticContact CD2-CZ 3.78Å; Y706-F730 HydrophobicContact CD2-CZ 3.78Å; Y706-F730 HydrophobicContact CE2-CE1 4.49Å; Y706-F730 HydrophobicContact CG-CE2 4.32Å; Y706-F730 HydrophobicContact CG-CZ 4.37Å; Y706-F766 AromaticContact CD1-CD1 4Å; Y706-F766 HydrophobicContact CD1-CD1 4Å; Y706-F766 AromaticContact CD1-CE1 3.63Å; Y706-F766 HydrophobicContact CD1-CE1 3.63Å; Y706-F766 HydrophobicContact CE1-CE1 4.04Å; Y706-F766 HydrophobicContact CG-CD1 4.48Å; Y706-E771 HydrophobicContact CE2-CB 4.48Å; Y706-V775 HydrophobicContact CD2-CG2 4.11Å; Y706-V775 HydrophobicContact CE2-CG2 3.72Å
707E93Very high91.6Very high15 Ų1525.7 Ų25.77%0.0715%0.151CC..Hα-helixtrans-65.4-38.3-177.9-70.3175.3152.900112.3R669 R703 A711 F766R669-E707 IonicContact CZ-OE2 3.92Å; R669-E707 IonicContact NH1-OE2 3.03Å; R669-E707 PolarHBondContact NH1-OE2 3.48Å; R669-E707 IonicContact NH2-OE1 3.99Å; R669-E707 PolarHBondContact NH2-OE1 3.39Å; R669-E707 IonicContact NH2-OE2 3.37Å; R669-E707 PolarHBondContact NH2-OE2 3.25Å; R703-E707 HydrophobicContact CG-CG 4.23Å; R703-E707 IonicContact CZ-OE1 3.09Å; R703-E707 IonicContact NE-OE1 2.88Å; R703-E707 PolarHBondContact NE-OE1 3.38Å; R703-E707 VanDerWaalsContact NE-OE1 3.12Å; R703-E707 IonicContact NE-OE2 3.83Å; R703-E707 IonicContact NH2-OE1 3.58Å; R703-E707 WeakPolarHBondContact O-CB 3.15Å; R703-E707 VanDerWaalsContact O-CG 3.25Å; R703-E707 WeakPolarHBondContact O-CG 3.41Å; R703-E707 PolarHBondContact O-N 3.03Å; E707-A711 VanDerWaalsContact O-CB 3.28Å; E707-A711 WeakPolarHBondContact O-CB 3.21Å; E707-A711 PolarHBondContact O-N 3.39Å; E707-F766 HydrophobicContact CG-CE1 4.44Å; E707-F766 HydrophobicContact CG-CZ 4.48Å
708A94.4Very high91.6Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-65.5-44.7173.400000112F690 L693 V704 Y706 A711 A712 F726F690-A708 HydrophobicContact CD1-CB 4.11Å; F690-A708 HydrophobicContact CE1-CB 4.42Å; L693-A708 HydrophobicContact CD1-CB 4.05Å; L693-A708 HydrophobicContact CD2-CB 3.88Å; L693-A708 HydrophobicContact CG-CB 4.07Å; V704-A708 WeakPolarHBondContact O-CB 3.45Å; V704-A708 PolarHBondContact O-N 3.41Å; Y706-A708 PolarHBondContact O-N 2.85Å; A708-A711 PolarHBondContact O-N 2.97Å; A708-A712 WeakPolarHBondContact O-CB 3.44Å; A708-A712 PolarHBondContact O-N 3.47Å; A708-F726 HydrophobicContact CB-CD2 4.2Å
709G93.9Very high91.7Very high0 Ų029.2 Ų29.20%016%0.157CC..Hα-helixtrans-61.6-47177.100000112.9F705 Y706 A712 M713F705-G709 PolarHBondContact O-N 3Å; Y706-G709 PolarHBondContact O-N 2.91Å; G709-A712 PolarHBondContact O-N 3.06Å; G709-M713 WeakPolarHBondContact O-CB 3.24Å; G709-M713 PolarHBondContact O-N 3.18Å
710M92.8Very high91.6Very high54 Ų5429.8 Ų29.827%0.26616%0.163SC..Hα-helixtrans-65.4-39.8177.9-68.6-60.8-73.200112.4Y706 M713 K714 L727 V775Y706-M710 HydrophobicContact CD1-CG 4.21Å; Y706-M710 HydrophobicContact CD2-CG 4.16Å; Y706-M710 HydrophobicContact CE1-CG 3.88Å; Y706-M710 HydrophobicContact CE2-CG 3.82Å; Y706-M710 HydrophobicContact CE2-SD 4.14Å; Y706-M710 HydrophobicContact CG-CG 4.35Å; Y706-M710 WeakPolarHBondContact O-CB 3.45Å; Y706-M710 VanDerWaalsContact O-CG 3.23Å; Y706-M710 WeakPolarHBondContact O-CG 3.5Å; Y706-M710 PolarHBondContact O-N 3.37Å; M710-M713 HydrophobicContact CE-CE 3.52Å; M710-M713 PolarHBondContact O-N 3.48Å; M710-M713 HydrophobicContact SD-CE 3.49Å; M710-M713 WeakPolarHBondContact SD-CE 3.36Å; M710-K714 WeakPolarHBondContact O-CB 3.45Å; M710-K714 PolarHBondContact O-N 3.49Å; M710-L727 HydrophobicContact CG-CD2 4.43Å; M710-L727 HydrophobicContact SD-CD2 4.46Å; M710-V775 HydrophobicContact SD-CG2 4.41Å
711A92.5Very high91.6Very high21 Ų2130.6 Ų30.617%0.17417%0.167CC..Hα-helixtrans-63.8-42.3174.900000111.6L686 E707 A708 K714 I715L686-A711 VanDerWaalsContact CD1-C 3.49Å; L686-A711 HydrophobicContact CD1-CB 3.69Å; E707-A711 VanDerWaalsContact O-CB 3.28Å; E707-A711 WeakPolarHBondContact O-CB 3.21Å; E707-A711 PolarHBondContact O-N 3.39Å; A708-A711 PolarHBondContact O-N 2.97Å; A711-K714 PolarHBondContact O-N 3.23Å; A711-I715 PolarHBondContact O-N 2.83Å
712A93.8Very high91.7Very high0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-65.5-41.117700000111.7L686 F690 A708 G709 K714 I715 G716 A723L686-A712 HydrophobicContact CD1-CB 3.96Å; L686-A712 VanDerWaalsContact CD1-N 3.32Å; F690-A712 HydrophobicContact CE1-CB 3.98Å; F690-A712 HydrophobicContact CZ-CB 3.93Å; A708-A712 WeakPolarHBondContact O-CB 3.44Å; A708-A712 PolarHBondContact O-N 3.47Å; G709-A712 PolarHBondContact O-N 3.06Å; A712-K714 PolarHBondContact O-N 2.97Å; A712-I715 PolarHBondContact O-N 2.84Å; A712-G716 PolarHBondContact O-N 2.62Å; A712-A723 HydrophobicContact CB-CB 3.69Å
713M91.7Very high91.8Very high59 Ų5930.6 Ų30.629%0.29117%0.167SC..Hα-helixtrans-62-41175.5-173.117971.600111.8G709 M710 I715 G716 A723 L727 W778G709-M713 WeakPolarHBondContact O-CB 3.24Å; G709-M713 PolarHBondContact O-N 3.18Å; M710-M713 HydrophobicContact CE-CE 3.52Å; M710-M713 PolarHBondContact O-N 3.48Å; M710-M713 HydrophobicContact SD-CE 3.49Å; M710-M713 WeakPolarHBondContact SD-CE 3.36Å; M713-I715 PolarHBondContact O-N 3.41Å; M713-G716 PolarHBondContact O-N 2.78Å; M713-A723 HydrophobicContact CB-CB 4.13Å; M713-L727 HydrophobicContact SD-CD1 4.38Å; M713-W778 HydrophobicContact CG-CD2 4.42Å; M713-W778 HydrophobicContact CG-CZ2 3.96Å; M713-W778 HydrophobicContact SD-CB 4.49Å; M713-W778 VanDerWaalsContact SD-CD1 3.52Å; M713-W778 HydrophobicContact SD-CD2 3.68Å; M713-W778 VanDerWaalsContact SD-CE2 3.6Å; M713-W778 HydrophobicContact SD-CE3 4.43Å; M713-W778 HydrophobicContact SD-CG 3.65Å; M713-W778 HydrophobicContact SD-CZ2 4.31Å; M713-W778 PolarHBondContact SD-NE1 2.98Å
714K90.5Very high91.8Very high118 Ų11831.7 Ų31.751%0.51317%0.172SC..Hα-helixtrans-63.3-38.8178.9-174.6-178.5-179.8-176.10113D676 M710 A711 A712D676-K714 IonicContact OD1-NZ 2.93Å; D676-K714 PolarHBondContact OD1-NZ 3.44Å; D676-K714 IonicContact OD2-NZ 3.29Å; D676-K714 PolarHBondContact OD2-NZ 3.41Å; M710-K714 WeakPolarHBondContact O-CB 3.45Å; M710-K714 PolarHBondContact O-N 3.49Å; A711-K714 PolarHBondContact O-N 3.23Å; A712-K714 PolarHBondContact O-N 2.97Å
715I90.5Very high91.8Very high47 Ų4731.7 Ų31.724%0.24117%0.172CC..Hα-helixtrans-79.3-39.1179.8-72.2166000111.2M683 L686 A711 A712 M713 Y719M683-I715 HydrophobicContact CE-CD1 4.32Å; M683-I715 HydrophobicContact CE-CG2 3.65Å; M683-I715 HydrophobicContact SD-CD1 4.4Å; L686-I715 HydrophobicContact CB-CD1 3.44Å; L686-I715 VanDerWaalsContact CB-CD1 3.44Å; L686-I715 HydrophobicContact CD1-CD1 4.24Å; L686-I715 HydrophobicContact CD2-CD1 3.54Å; L686-I715 HydrophobicContact CG-CD1 3.91Å; A711-I715 PolarHBondContact O-N 2.83Å; A712-I715 PolarHBondContact O-N 2.84Å; M713-I715 PolarHBondContact O-N 3.41Å; I715-Y719 HydrophobicContact CG2-CD2 3.82Å; I715-Y719 HydrophobicContact CG2-CE2 4.45Å
716G87.2Confident91.8Very high21 Ų2131.6 Ų31.622%0.21617%0.171CC..  trans65.5-161.5179.900000114A712 M713 R718 Y719A712-G716 PolarHBondContact O-N 2.62Å; M713-G716 PolarHBondContact O-N 2.78Å; G716-R718 PolarHBondContact O-N 3.1Å; G716-Y719 PolarHBondContact O-N 3.39Å
717G86.7Confident91.8Very high66 Ų6630.7 Ų30.768%0.6817%0.168SC*.G310 helixtrans67.1-128.6-177.400000111.8Y719 A720G717-Y719 PolarHBondContact O-N 3.26Å; G717-Y719 VanDerWaalsContact O-N 3.07Å; G717-A720 WeakPolarHBondContact O-CB 3.19Å; G717-A720 PolarHBondContact O-N 3.47Å
718R87.2Confident91.8Very high158 Ų15831.7 Ų31.760%0.59617%0.173SC*.G310 helixtrans-60-21.1-179.974.1178.1-172.9161.95.5113.9G716 E801G716-R718 PolarHBondContact O-N 3.1Å; R718-E801 IonicContact CZ-OE2 3Å; R718-E801 IonicContact NH2-OE2 3.12Å; R718-E801 PolarHBondContact NH2-OE2 3.23Å
719Y91.9Very high91.7Very high5 Ų531.8 Ų31.82%0.0217%0.174CC..G310 helixtrans-87.9-7.8-179.1-64.6-65.5000113.6M683 L686 F690 I715 G716 G717 N721 A722 A723 P793 E801M683-Y719 HydrophobicContact CE-CD2 4.39Å; M683-Y719 HydrophobicContact CE-CE2 3.77Å; M683-Y719 HydrophobicContact SD-CD2 4.46Å; M683-Y719 HydrophobicContact SD-CE2 3.54Å; M683-Y719 VanDerWaalsContact SD-CE2 3.54Å; L686-Y719 HydrophobicContact CD2-CD1 3.79Å; L686-Y719 HydrophobicContact CD2-CD2 3.76Å; L686-Y719 HydrophobicContact CD2-CE1 3.83Å; L686-Y719 HydrophobicContact CD2-CE2 3.79Å; L686-Y719 HydrophobicContact CD2-CG 3.72Å; F690-Y719 AromaticContact CE2-CD1 3.83Å; F690-Y719 HydrophobicContact CE2-CD1 3.83Å; F690-Y719 AromaticContact CE2-CE1 3.86Å; F690-Y719 HydrophobicContact CE2-CE1 3.86Å; F690-Y719 AromaticContact CZ-CD1 4Å; F690-Y719 HydrophobicContact CZ-CD1 4Å; F690-Y719 HydrophobicContact CZ-CE1 4.45Å; I715-Y719 HydrophobicContact CG2-CD2 3.82Å; I715-Y719 HydrophobicContact CG2-CE2 4.45Å; G716-Y719 PolarHBondContact O-N 3.39Å; G717-Y719 PolarHBondContact O-N 3.26Å; G717-Y719 VanDerWaalsContact O-N 3.07Å; Y719-N721 PolarHBondContact O-N 3.39Å; Y719-A722 WeakPolarHBondContact O-CB 3.2Å; Y719-A722 PolarHBondContact O-N 2.98Å; Y719-A722 VanDerWaalsContact O-N 3.15Å; Y719-A723 PolarHBondContact O-N 2.99Å; Y719-P793 HydrophobicContact CD1-CG 4.24Å; Y719-P793 HydrophobicContact CE1-CB 4.33Å; Y719-P793 HydrophobicContact CE1-CG 4.17Å; Y719-E801 VanDerWaalsContact CE1-OE1 3.23Å; Y719-E801 WeakPolarHBondContact CE1-OE1 3.43Å; Y719-E801 PolarHBondContact OH-OE1 2.77Å; Y719-E801 PolarHBondContact OH-OE2 3.46Å
720A90.5Very high91.6Very high18 Ų1831.8 Ų31.815%0.14917%0.174CC..Hα-helixtrans-60.8-36.8174.300000111.8G717 A723 F724 I788G717-A720 WeakPolarHBondContact O-CB 3.19Å; G717-A720 PolarHBondContact O-N 3.47Å; A720-A723 WeakPolarHBondContact O-CB 3.43Å; A720-A723 PolarHBondContact O-N 2.97Å; A720-F724 PolarHBondContact O-N 3.14Å; A720-I788 HydrophobicContact CB-CG1 4.39Å
721N91.8Very high91.6Very high31 Ų3130.4 Ų30.417%0.16617%0.168CC..Hα-helixtrans-62.3-43.9173.9-66.8-1.3000111.8Y719 F724 V725 I788 K789 E791Y719-N721 PolarHBondContact O-N 3.39Å; N721-F724 WeakPolarHBondContact O-CB 3.34Å; N721-F724 PolarHBondContact O-N 2.71Å; N721-V725 WeakPolarHBondContact O-CG2 2.98Å; N721-V725 PolarHBondContact O-N 3.42Å; N721-V725 VanDerWaalsContact O-N 3.14Å; N721-I788 WeakPolarHBondContact OD1-CA 3.1Å; N721-K789 WeakPolarHBondContact CA-O 3.37Å; N721-K789 WeakPolarHBondContact CB-O 3.22Å; N721-K789 VanDerWaalsContact CG-O 3.25Å; N721-K789 PolarHBondContact OD1-N 3.14Å; N721-E791 VanDerWaalsContact CB-O 3.32Å; N721-E791 WeakPolarHBondContact CB-O 3.23Å
722A92.3Very high91.6Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-64.4-42.2176.100000111.4F690 Y719 F724 V725 F726 P793F690-A722 HydrophobicContact CE2-CB 4.4Å; F690-A722 HydrophobicContact CZ-CB 3.93Å; Y719-A722 WeakPolarHBondContact O-CB 3.2Å; Y719-A722 PolarHBondContact O-N 2.98Å; Y719-A722 VanDerWaalsContact O-N 3.15Å; A722-F724 VanDerWaalsContact C-N 3.28Å; A722-F724 PolarHBondContact O-N 3.47Å; A722-V725 PolarHBondContact O-N 2.87Å; A722-F726 HydrophobicContact CB-CD2 4.29Å; A722-F726 HydrophobicContact CB-CE2 3.85Å; A722-F726 WeakPolarHBondContact O-CD2 3.33Å; A722-F726 WeakPolarHBondContact O-CG 3.31Å; A722-F726 PolarHBondContact O-N 3.07Å; A722-P793 HydrophobicContact CB-CG 4.18Å
723A93.3Very high91.5Very high0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-58.1-42.9175.800000111.3A712 M713 Y719 A720 L727 W778A712-A723 HydrophobicContact CB-CB 3.69Å; M713-A723 HydrophobicContact CB-CB 4.13Å; Y719-A723 PolarHBondContact O-N 2.99Å; A720-A723 WeakPolarHBondContact O-CB 3.43Å; A720-A723 PolarHBondContact O-N 2.97Å; A723-L727 WeakPolarHBondContact O-CB 3.38Å; A723-L727 VanDerWaalsContact O-CG 3.24Å; A723-L727 WeakPolarHBondContact O-CG 3.49Å; A723-L727 PolarHBondContact O-N 3.05Å; A723-W778 HydrophobicContact CB-CH2 3.73Å; A723-W778 HydrophobicContact CB-CZ2 4.41Å; A723-W778 HydrophobicContact CB-CZ3 4.32Å
724F92.7Very high91.4Very high30 Ų3028.5 Ų28.513%0.13216%0.156CC..Hα-helixtrans-59.7-47.1175.1-175.8-93.7000112.4A720 N721 A722 N728 W778 I779 A782 I788 R790A720-F724 PolarHBondContact O-N 3.14Å; N721-F724 WeakPolarHBondContact O-CB 3.34Å; N721-F724 PolarHBondContact O-N 2.71Å; A722-F724 VanDerWaalsContact C-N 3.28Å; A722-F724 PolarHBondContact O-N 3.47Å; F724-N728 WeakPolarHBondContact O-CB 3.49Å; F724-N728 PolarHBondContact O-N 3.15Å; F724-N728 VanDerWaalsContact O-N 3.09Å; F724-W778 HydrophobicContact CB-CH2 4.4Å; F724-W778 HydrophobicContact CB-CZ3 4.36Å; F724-I779 HydrophobicContact CE2-CG2 3.97Å; F724-A782 HydrophobicContact CD2-CB 3.79Å; F724-A782 HydrophobicContact CE2-CB 4.26Å; F724-I788 HydrophobicContact CB-CG2 3.76Å; F724-I788 HydrophobicContact CD2-CG2 4.22Å; F724-I788 HydrophobicContact CG-CG2 4Å; F724-R790 HydrophobicContact CD1-CB 4.26Å; F724-R790 HydrophobicContact CD1-CG 4.4Å; F724-R790 HydrophobicContact CE1-CB 4.18Å; F724-R790 HydrophobicContact CE1-CG 4.3Å
725V92.8Very high91.4Very high1 Ų128 Ų281%0.00616%0.156CC..Hα-helixtrans-62.8-50178.6176.60000111.5N721 A722 H729 D749 F750 R790 L792N721-V725 WeakPolarHBondContact O-CG2 2.98Å; N721-V725 PolarHBondContact O-N 3.42Å; N721-V725 VanDerWaalsContact O-N 3.14Å; A722-V725 PolarHBondContact O-N 2.87Å; V725-H729 PolarHBondContact O-N 3.01Å; V725-H729 VanDerWaalsContact O-N 3.1Å; V725-D749 HydrophobicContact CG1-CB 3.89Å; V725-F750 HydrophobicContact CG1-CE1 3.89Å; V725-F750 HydrophobicContact CG1-CZ 4.06Å; V725-R790 HydrophobicContact CG2-CG 4Å; V725-L792 HydrophobicContact CB-CD2 4.07Å; V725-L792 HydrophobicContact CG1-CD2 3.88Å; V725-L792 HydrophobicContact CG1-CG 4.42Å; V725-L792 HydrophobicContact CG2-CD2 4.37Å
726F94Very high91.4Very high0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-70.2-40.8-175.5-60.5-43.4000113.3F690 L693 F705 A708 A722 H729 F730 F750 L792 Y800F690-F726 AromaticContact CD1-CE2 3.81Å; F690-F726 HydrophobicContact CD1-CE2 3.81Å; F690-F726 HydrophobicContact CD1-CZ 4.49Å; F690-F726 AromaticContact CE1-CD2 3.98Å; F690-F726 HydrophobicContact CE1-CD2 3.98Å; F690-F726 AromaticContact CE1-CE2 3.44Å; F690-F726 HydrophobicContact CE1-CE2 3.44Å; F690-F726 VanDerWaalsContact CE1-CE2 3.44Å; F690-F726 HydrophobicContact CE1-CZ 4.47Å; F690-F726 HydrophobicContact CE2-CE2 4.34Å; F690-F726 HydrophobicContact CG-CE2 4.4Å; F690-F726 AromaticContact CZ-CE2 3.77Å; F690-F726 HydrophobicContact CZ-CE2 3.77Å; L693-F726 HydrophobicContact CD1-CD1 3.81Å; L693-F726 HydrophobicContact CD1-CD2 4.47Å; L693-F726 HydrophobicContact CD1-CE1 3.34Å; L693-F726 HydrophobicContact CD1-CE2 4.08Å; L693-F726 HydrophobicContact CD1-CG 4.37Å; L693-F726 HydrophobicContact CD1-CZ 3.51Å; F705-F726 HydrophobicContact CD1-CB 4.34Å; F705-F726 AromaticContact CD1-CD1 3.91Å; F705-F726 HydrophobicContact CD1-CD1 3.91Å; F705-F726 HydrophobicContact CE1-CD1 4.07Å; A708-F726 HydrophobicContact CB-CD2 4.2Å; A722-F726 HydrophobicContact CB-CD2 4.29Å; A722-F726 HydrophobicContact CB-CE2 3.85Å; A722-F726 WeakPolarHBondContact O-CD2 3.33Å; A722-F726 WeakPolarHBondContact O-CG 3.31Å; A722-F726 PolarHBondContact O-N 3.07Å; F726-H729 PolarHBondContact O-N 3.36Å; F726-F730 WeakPolarHBondContact O-CB 3.46Å; F726-F730 PolarHBondContact O-N 3.21Å; F726-F750 AromaticContact CD1-CE1 3.95Å; F726-F750 HydrophobicContact CD1-CE1 3.95Å; F726-F750 HydrophobicContact CD1-CZ 4.36Å; F726-F750 AromaticContact CE1-CE1 3.82Å; F726-F750 HydrophobicContact CE1-CE1 3.82Å; F726-L792 HydrophobicContact CE1-CD2 3.76Å; F726-L792 HydrophobicContact CE2-CD2 4.43Å; F726-L792 HydrophobicContact CZ-CD2 3.65Å; F726-Y800 HydrophobicContact CZ-CE2 4.4Å; F726-Y800 WeakPolarHBondContact CZ-OH 3.49Å
727L93.8Very high91.5Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-70.4-34.2179-68.6177.7000111.8M710 M713 A723 F730 L731 V775 W778 I779M710-L727 HydrophobicContact CG-CD2 4.43Å; M710-L727 HydrophobicContact SD-CD2 4.46Å; M713-L727 HydrophobicContact SD-CD1 4.38Å; A723-L727 WeakPolarHBondContact O-CB 3.38Å; A723-L727 VanDerWaalsContact O-CG 3.24Å; A723-L727 WeakPolarHBondContact O-CG 3.49Å; A723-L727 PolarHBondContact O-N 3.05Å; L727-F730 WeakPolarHBondContact O-CB 3.46Å; L727-F730 PolarHBondContact O-N 2.99Å; L727-L731 PolarHBondContact O-N 3.05Å; L727-L731 VanDerWaalsContact O-N 3.11Å; L727-V775 HydrophobicContact CB-CG1 3.83Å; L727-V775 HydrophobicContact CD1-CG1 4.4Å; L727-V775 HydrophobicContact CD2-CG1 4.08Å; L727-V775 HydrophobicContact CD2-CG2 4.14Å; L727-V775 HydrophobicContact CG-CG1 4.32Å; L727-W778 HydrophobicContact CD1-CD2 4.41Å; L727-W778 HydrophobicContact CD1-CE3 3.66Å; L727-W778 HydrophobicContact CD1-CZ3 3.76Å; L727-I779 HydrophobicContact CB-CD1 3.89Å; L727-I779 HydrophobicContact CB-CG1 4.21Å
728N92.9Very high91.5Very high36 Ų3629.2 Ų29.219%0.19314%0.138CC..Hα-helixtrans-66.4-46174.8-164.658.3000111.2F724 F730 L731 D732 I779F724-N728 WeakPolarHBondContact O-CB 3.49Å; F724-N728 PolarHBondContact O-N 3.15Å; F724-N728 VanDerWaalsContact O-N 3.09Å; N728-F730 VanDerWaalsContact C-N 3.28Å; N728-F730 PolarHBondContact O-N 3.44Å; N728-L731 WeakPolarHBondContact O-CB 3.48Å; N728-L731 PolarHBondContact O-N 3.45Å; N728-D732 PolarHBondContact O-N 2.92Å; N728-I779 HydrophobicContact CB-CD1 4.35Å
729H92.4Very high91.7Very high2 Ų225.9 Ų25.91%0.00914%0.135CC..Hα-helixtrans-63.2-33.8175-172.171.6000113F705 V725 F726 L731 D732 L733 V745 E746 Y747 F750F705-H729 AromaticContact CD1-CD2 3.76Å; F705-H729 AromaticContact CD2-CD2 3.59Å; F705-H729 AromaticContact CE1-CD2 3.57Å; F705-H729 AromaticContact CE2-CD2 3.41Å; F705-H729 VanDerWaalsContact CE2-CD2 3.41Å; F705-H729 WeakPolarHBondContact CE2-CD2 3.27Å; F705-H729 AromaticContact CE2-NE2 3.57Å; F705-H729 AromaticContact CG-CD2 3.79Å; F705-H729 AromaticContact CZ-CD2 3.4Å; F705-H729 VanDerWaalsContact CZ-CD2 3.4Å; F705-H729 WeakPolarHBondContact CZ-CD2 3.01Å; F705-H729 AromaticContact CZ-NE2 3.64Å; V725-H729 PolarHBondContact O-N 3.01Å; V725-H729 VanDerWaalsContact O-N 3.1Å; F726-H729 PolarHBondContact O-N 3.36Å; H729-L731 VanDerWaalsContact C-N 3.35Å; H729-D732 PolarHBondContact O-N 3.47Å; H729-L733 WeakPolarHBondContact O-CG 3.33Å; H729-L733 PolarHBondContact O-N 3.33Å; H729-V745 WeakPolarHBondContact CE1-CG1 3.37Å; H729-E746 PolarHBondContact ND1-O 3.34Å; H729-Y747 AromaticContact CE1-CD1 3.76Å; H729-Y747 AromaticContact CE1-CE1 3.73Å; H729-Y747 AromaticContact NE2-CE1 3.8Å; H729-F750 HydrophobicContact CB-CE2 4.06Å; H729-F750 HydrophobicContact CB-CZ 3.93Å; H729-F750 AromaticContact CD2-CE2 3.72Å; H729-F750 AromaticContact CE1-CE2 3.72Å; H729-F750 AromaticContact CG-CE2 3.54Å; H729-F750 AromaticContact CG-CZ 3.86Å; H729-F750 AromaticContact ND1-CE2 3.58Å; H729-F750 AromaticContact NE2-CE2 3.82Å
730F93.4Very high91.4Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-59.9-42.3170.9158.3-102.5000112.2D702 F705 Y706 F726 L727 N728 L733 C734 A767 Q772 V775D702-F730 HydrophobicContact CB-CD2 4.11Å; D702-F730 HydrophobicContact CB-CE2 4.19Å; D702-F730 WeakPolarHBondContact O-CD2 3.43Å; F705-F730 HydrophobicContact CB-CB 4.04Å; Y706-F730 HydrophobicContact CD2-CD1 4.14Å; Y706-F730 AromaticContact CD2-CE1 3.77Å; Y706-F730 HydrophobicContact CD2-CE1 3.77Å; Y706-F730 HydrophobicContact CD2-CE2 4.16Å; Y706-F730 HydrophobicContact CD2-CG 4.49Å; Y706-F730 AromaticContact CD2-CZ 3.78Å; Y706-F730 HydrophobicContact CD2-CZ 3.78Å; Y706-F730 HydrophobicContact CE2-CE1 4.49Å; Y706-F730 HydrophobicContact CG-CE2 4.32Å; Y706-F730 HydrophobicContact CG-CZ 4.37Å; F726-F730 WeakPolarHBondContact O-CB 3.46Å; F726-F730 PolarHBondContact O-N 3.21Å; L727-F730 WeakPolarHBondContact O-CB 3.46Å; L727-F730 PolarHBondContact O-N 2.99Å; N728-F730 VanDerWaalsContact C-N 3.28Å; N728-F730 PolarHBondContact O-N 3.44Å; F730-L733 WeakPolarHBondContact O-CB 3.45Å; F730-L733 PolarHBondContact O-N 3.31Å; F730-C734 WeakPolarHBondContact CE2-SG 3.37Å; F730-C734 WeakPolarHBondContact CZ-SG 3.2Å; F730-C734 PolarHBondContact O-N 3.16Å; F730-C734 PolarHBondContact O-SG 3.31Å; F730-C734 VanDerWaalsContact O-SG 3.34Å; F730-A767 HydrophobicContact CE2-CB 4.11Å; F730-A767 HydrophobicContact CZ-CB 3.57Å; F730-Q772 HydrophobicContact CE1-CG 4.45Å; F730-Q772 HydrophobicContact CZ-CG 4.11Å; F730-V775 HydrophobicContact CD1-CG1 4.05Å; F730-V775 HydrophobicContact CE1-CB 4.37Å; F730-V775 HydrophobicContact CE1-CG1 4.25Å; F730-V775 HydrophobicContact CE1-CG2 4.29Å
731L92.3Very high91.2Very high26 Ų2634.6 Ų34.614%0.13618%0.18CC..Hα-helixtrans-65.8-39.4175.3-68.4-174.2000112.2L727 N728 H729 L733 C734 E735 V775 K776 I779L727-L731 PolarHBondContact O-N 3.05Å; L727-L731 VanDerWaalsContact O-N 3.11Å; N728-L731 WeakPolarHBondContact O-CB 3.48Å; N728-L731 PolarHBondContact O-N 3.45Å; H729-L731 VanDerWaalsContact C-N 3.35Å; L731-L733 VanDerWaalsContact C-N 3.28Å; L731-L733 PolarHBondContact O-N 2.89Å; L731-C734 WeakPolarHBondContact O-CB 3.5Å; L731-C734 PolarHBondContact O-N 2.83Å; L731-C734 VanDerWaalsContact O-N 3.14Å; L731-E735 PolarHBondContact O-N 3.49Å; L731-V775 HydrophobicContact CD1-CG1 4.39Å; L731-V775 HydrophobicContact CD2-CB 4.49Å; L731-V775 HydrophobicContact CD2-CG1 4.07Å; L731-V775 HydrophobicContact CG-CG1 4.1Å; L731-K776 HydrophobicContact CD1-CB 4.4Å; L731-K776 HydrophobicContact CD1-CG 3.59Å; L731-K776 HydrophobicContact CD2-CG 3.89Å; L731-K776 HydrophobicContact CG-CG 4.43Å; L731-I779 HydrophobicContact CD1-CD1 3.41Å; L731-I779 VanDerWaalsContact CD1-CD1 3.41Å; L731-I779 HydrophobicContact CG-CD1 3.95Å
732D91.7Very high90.9Very high35 Ų3535.9 Ų35.919%0.18720%0.195CC..Hα-helixtrans-60.3-40174.6-59.1-28.6000110.9N728 H729 E735 A736N728-D732 PolarHBondContact O-N 2.92Å; H729-D732 PolarHBondContact O-N 3.47Å; D732-E735 PolarHBondContact O-N 2.94Å; D732-A736 VanDerWaalsContact O-CB 3.29Å; D732-A736 WeakPolarHBondContact O-CB 3.34Å; D732-A736 PolarHBondContact O-N 3.47Å
733L91.3Very high90.6Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-64.9-41.9173.4-73166.9000111.9A701 F705 H729 F730 L731 A736 V737 V745 L761A701-L733 HydrophobicContact CB-CD1 3.91Å; A701-L733 HydrophobicContact CB-CD2 4.32Å; F705-L733 HydrophobicContact CD2-CD1 3.54Å; F705-L733 HydrophobicContact CE2-CD1 4.11Å; F705-L733 HydrophobicContact CG-CD1 4.32Å; H729-L733 WeakPolarHBondContact O-CG 3.33Å; H729-L733 PolarHBondContact O-N 3.33Å; F730-L733 WeakPolarHBondContact O-CB 3.45Å; F730-L733 PolarHBondContact O-N 3.31Å; L731-L733 VanDerWaalsContact C-N 3.28Å; L731-L733 PolarHBondContact O-N 2.89Å; L733-A736 PolarHBondContact O-N 3.42Å; L733-V737 WeakPolarHBondContact O-CG2 3.41Å; L733-V737 PolarHBondContact O-N 2.93Å; L733-V745 HydrophobicContact CD2-CG1 4.02Å; L733-V745 HydrophobicContact CD2-CG2 3.99Å; L733-V745 HydrophobicContact CG-CG1 4.39Å; L733-L761 HydrophobicContact CD2-CD2 4.29Å
734C91Very high90.2Very high4 Ų443.7 Ų43.73%0.02724%0.243CC..Hα-helixtrans-60.8-46.2175.5-68.80000111.7F730 L731 A736 V737 E738 L765F730-C734 WeakPolarHBondContact CE2-SG 3.37Å; F730-C734 WeakPolarHBondContact CZ-SG 3.2Å; F730-C734 PolarHBondContact O-N 3.16Å; F730-C734 PolarHBondContact O-SG 3.31Å; F730-C734 VanDerWaalsContact O-SG 3.34Å; L731-C734 WeakPolarHBondContact O-CB 3.5Å; L731-C734 PolarHBondContact O-N 2.83Å; L731-C734 VanDerWaalsContact O-N 3.14Å; C734-A736 PolarHBondContact O-N 3.29Å; C734-V737 PolarHBondContact O-N 2.73Å; C734-E738 WeakPolarHBondContact O-CG 3.49Å; C734-E738 PolarHBondContact O-N 3.23Å; C734-L765 HydrophobicContact CB-CD2 4.15Å
735E90.3Very high89.8Confident109 Ų10942.7 Ų42.751%0.50924%0.24SC..Hα-helixtrans-62.5-43.2177.2-174.3173.8177.900111.5L731 D732 V737 E738 V739 L744L731-E735 PolarHBondContact O-N 3.49Å; D732-E735 PolarHBondContact O-N 2.94Å; E735-V737 VanDerWaalsContact C-N 3.32Å; E735-V737 PolarHBondContact O-N 3.41Å; E735-E738 PolarHBondContact O-N 2.71Å; E735-V739 WeakPolarHBondContact O-CG2 3.5Å; E735-V739 PolarHBondContact O-N 2.8Å; E735-L744 HydrophobicContact CG-CD1 4.45Å
736A90.2Very high89.4Confident0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-62.6-36.217700000113.3D732 L733 C734 N740 D741 L744 V745 L761D732-A736 VanDerWaalsContact O-CB 3.29Å; D732-A736 WeakPolarHBondContact O-CB 3.34Å; D732-A736 PolarHBondContact O-N 3.47Å; L733-A736 PolarHBondContact O-N 3.42Å; C734-A736 PolarHBondContact O-N 3.29Å; A736-N740 CarbonylContact O-C 3.46Å; A736-N740 VanDerWaalsContact O-CA 3.23Å; A736-N740 WeakPolarHBondContact O-CA 3.43Å; A736-N740 PolarHBondContact O-N 2.88Å; A736-D741 WeakPolarHBondContact CB-O 3.44Å; A736-D741 PolarHBondContact O-N 3.22Å; A736-L744 HydrophobicContact CB-CB 4.24Å; A736-V745 HydrophobicContact CB-CG2 3.34Å; A736-L761 HydrophobicContact CB-CD1 4.48Å; A736-L761 HydrophobicContact CB-CD2 3.83Å
737V89.1Confident89Confident27 Ų2750.8 Ų50.816%0.16428%0.276CS..Hα-helixtrans-71.1-41.1175.6171.80000111.2L733 C734 E735 N740 L761 P762 L765L733-V737 WeakPolarHBondContact O-CG2 3.41Å; L733-V737 PolarHBondContact O-N 2.93Å; C734-V737 PolarHBondContact O-N 2.73Å; E735-V737 VanDerWaalsContact C-N 3.32Å; E735-V737 PolarHBondContact O-N 3.41Å; V737-N740 PolarHBondContact O-N 3.37Å; V737-L761 HydrophobicContact CG2-CB 4.37Å; V737-L761 HydrophobicContact CG2-CD2 4.19Å; V737-P762 HydrophobicContact CG2-CG 3.66Å; V737-L765 HydrophobicContact CB-CD2 3.75Å; V737-L765 HydrophobicContact CG1-CD2 3.65Å; V737-L765 HydrophobicContact CG1-CG 3.94Å; V737-L765 HydrophobicContact CG2-CD2 4.2Å
738E87.9Confident88.5Confident131 Ų13153 Ų5361%0.61230%0.3SS*.Hα-helixtrans-64.6-40.7177.6-73.9-180-178.900112.6C734 E735 N740 L765C734-E738 WeakPolarHBondContact O-CG 3.49Å; C734-E738 PolarHBondContact O-N 3.23Å; E735-E738 PolarHBondContact O-N 2.71Å; E738-N740 VanDerWaalsContact C-N 3.33Å; E738-L765 HydrophobicContact CG-CD1 4.19Å
739V89.5Confident88.1Confident88 Ų8853.5 Ų53.553%0.53330%0.302SS..Hα-helixtrans-83.1-14.3177.4-177.70000112.1E735 D741 L744E735-V739 WeakPolarHBondContact O-CG2 3.5Å; E735-V739 PolarHBondContact O-N 2.8Å; V739-D741 VanDerWaalsContact C-N 3.3Å; V739-D741 HydrophobicContact CG1-CB 4.04Å; V739-L744 HydrophobicContact CB-CD1 3.81Å; V739-L744 HydrophobicContact CG1-CD1 3.98Å; V739-L744 HydrophobicContact CG2-CD1 4Å
740N86.2Confident87.9Confident141 Ų14153.4 Ų53.475%0.75430%0.301SS*.THydrogen-bonded Turntrans55.342.5-171.8-169.846.5000112.5A736 V737 E738A736-N740 CarbonylContact O-C 3.46Å; A736-N740 VanDerWaalsContact O-CA 3.23Å; A736-N740 WeakPolarHBondContact O-CA 3.43Å; A736-N740 PolarHBondContact O-N 2.88Å; V737-N740 PolarHBondContact O-N 3.37Å; E738-N740 VanDerWaalsContact C-N 3.33Å
741D86.8Confident87.5Confident65 Ų6559 Ų5935%0.34833%0.331SS..  trans-132.9105.8179.8-172.8-5.8000111A736 V739 S743 L744A736-D741 WeakPolarHBondContact CB-O 3.44Å; A736-D741 PolarHBondContact O-N 3.22Å; V739-D741 VanDerWaalsContact C-N 3.3Å; V739-D741 HydrophobicContact CG1-CB 4.04Å; D741-S743 PolarHBondContact O-N 2.66Å; D741-S743 VanDerWaalsContact OD1-CB 3.27Å; D741-S743 WeakPolarHBondContact OD1-CB 3.33Å; D741-S743 PolarHBondContact OD1-N 3.36Å; D741-S743 PolarHBondContact OD1-OG 3.41Å; D741-S743 PolarHBondContact OD2-OG 3.01Å; D741-S743 VanDerWaalsContact OD2-OG 3.09Å; D741-L744 HydrophobicContact CB-CD1 4.2Å; D741-L744 HydrophobicContact CB-CG 4.25Å; D741-L744 PolarHBondContact O-N 2.91Å
742A85.9Confident86.9Confident58 Ų5860.9 Ų60.948%0.47936%0.357SS..G310 helixtrans-68.1-14.2179.600000113.8L744 V745 L761A742-L744 PolarHBondContact O-N 2.77Å; A742-V745 PolarHBondContact O-N 2.63Å; A742-L761 HydrophobicContact CB-CD1 3.78Å; A742-L761 HydrophobicContact CB-CG 4.04Å
743S85.3Confident86.8Confident94 Ų9459.9 Ų59.966%0.65735%0.353SS*.G310 helixtrans-74.1-14.7179.873.20000113.6D741 V745D741-S743 PolarHBondContact O-N 2.66Å; D741-S743 VanDerWaalsContact OD1-CB 3.27Å; D741-S743 WeakPolarHBondContact OD1-CB 3.33Å; D741-S743 PolarHBondContact OD1-N 3.36Å; D741-S743 PolarHBondContact OD1-OG 3.41Å; D741-S743 PolarHBondContact OD2-OG 3.01Å; D741-S743 VanDerWaalsContact OD2-OG 3.09Å; S743-V745 PolarHBondContact O-N 3.45Å
744L85.1Confident86.6Confident70 Ų7061.3 Ų61.337%0.36636%0.36SS..G310 helixtrans-72.2-18.1176.4-63.5176.8000113E735 A736 V739 D741 A742E735-L744 HydrophobicContact CG-CD1 4.45Å; A736-L744 HydrophobicContact CB-CB 4.24Å; V739-L744 HydrophobicContact CB-CD1 3.81Å; V739-L744 HydrophobicContact CG1-CD1 3.98Å; V739-L744 HydrophobicContact CG2-CD1 4Å; D741-L744 HydrophobicContact CB-CD1 4.2Å; D741-L744 HydrophobicContact CB-CG 4.25Å; D741-L744 PolarHBondContact O-N 2.91Å; A742-L744 PolarHBondContact O-N 2.77Å
745V84.4Confident86.5Confident10 Ų1061.4 Ų61.46%0.06136%0.36CS..  trans-86.9114.9-175.6-172.90000110.7H729 L733 A736 A742 S743 Y747 L761H729-V745 WeakPolarHBondContact CE1-CG1 3.37Å; L733-V745 HydrophobicContact CD2-CG1 4.02Å; L733-V745 HydrophobicContact CD2-CG2 3.99Å; L733-V745 HydrophobicContact CG-CG1 4.39Å; A736-V745 HydrophobicContact CB-CG2 3.34Å; A742-V745 PolarHBondContact O-N 2.63Å; S743-V745 PolarHBondContact O-N 3.45Å; V745-Y747 HydrophobicContact CB-CE2 3.9Å; V745-Y747 HydrophobicContact CG1-CD2 4.25Å; V745-Y747 HydrophobicContact CG1-CE1 4.15Å; V745-Y747 HydrophobicContact CG1-CE2 3.63Å; V745-Y747 WeakPolarHBondContact O-CD2 3.43Å; V745-L761 HydrophobicContact CG2-CD2 4.35Å
746E83.9Confident86.2Confident133 Ų13357.7 Ų57.762%0.62135%0.346SS*.  trans-87.6128.5173.8-65.6-171.4170.400111.6H729H729-E746 PolarHBondContact ND1-O 3.34Å
747Y85.7Confident85.9Confident38 Ų3863 Ų6315%0.14937%0.366CS..  trans-107.77.3-179.5-66.1-88.3000114.2H729 V745 D749 F750 R757 P758 S759H729-Y747 AromaticContact CE1-CD1 3.76Å; H729-Y747 AromaticContact CE1-CE1 3.73Å; H729-Y747 AromaticContact NE2-CE1 3.8Å; V745-Y747 HydrophobicContact CB-CE2 3.9Å; V745-Y747 HydrophobicContact CG1-CD2 4.25Å; V745-Y747 HydrophobicContact CG1-CE1 4.15Å; V745-Y747 HydrophobicContact CG1-CE2 3.63Å; V745-Y747 WeakPolarHBondContact O-CD2 3.43Å; Y747-D749 PolarHBondContact O-N 3.46Å; Y747-F750 HydrophobicContact CD1-CD2 4.44Å; Y747-F750 PolarHBondContact O-N 2.92Å; Y747-F750 VanDerWaalsContact O-N 3.08Å; Y747-R757 HydrophobicContact CD1-CB 4.36Å; Y747-R757 HydrophobicContact CD1-CG 3.8Å; Y747-R757 HydrophobicContact CG-CB 4.5Å; Y747-R757 HydrophobicContact CG-CG 4.15Å; Y747-P758 HydrophobicContact CE2-CB 3.92Å; Y747-S759 PolarHBondContact OH-N 2.77Å; Y747-S759 VanDerWaalsContact OH-N 3.07Å; Y747-S759 PolarHBondContact OH-OG 3.44Å; Y747-S759 VanDerWaalsContact OH-OG 3.12Å
748G84.4Confident85.5Confident47 Ų4766.8 Ų66.849%0.48539%0.391SS..G310 helixtrans-61.4-29.3-172.900000114.2F750 D751G748-F750 PolarHBondContact O-N 3.17Å; G748-D751 PolarHBondContact O-N 3.34Å
749D84.3Confident85Confident45 Ų4560.8 Ų60.824%0.24136%0.363CS..G310 helixtrans-66.6-19177.6-69-29.3000113.7V725 Y747 R790V725-D749 HydrophobicContact CG1-CB 3.89Å; Y747-D749 PolarHBondContact O-N 3.46Å; D749-R790 VanDerWaalsContact CG-NH2 3.3Å; D749-R790 IonicContact OD1-CZ 2.68Å; D749-R790 IonicContact OD1-NE 3.94Å; D749-R790 PolarHBondContact OD1-NE 3.49Å; D749-R790 IonicContact OD1-NH2 2.81Å; D749-R790 PolarHBondContact OD1-NH2 3.35Å; D749-R790 IonicContact OD2-CZ 3.03Å; D749-R790 IonicContact OD2-NE 2.78Å; D749-R790 PolarHBondContact OD2-NE 3.25Å; D749-R790 IonicContact OD2-NH2 2.62Å; D749-R790 PolarHBondContact OD2-NH2 2.93Å
750F88.3Confident84.7Confident0 Ų060.1 Ų60.10%036%0.361CS..G310 helixtrans-102.111.8-176.1-51.9-64.5000112.6F705 V725 F726 H729 Y747 G748 G752 T753 I755 L792F705-F750 HydrophobicContact CD1-CZ 4.4Å; F705-F750 AromaticContact CE1-CE1 3.96Å; F705-F750 HydrophobicContact CE1-CE1 3.96Å; F705-F750 HydrophobicContact CE1-CE2 4.15Å; F705-F750 AromaticContact CE1-CZ 3.58Å; F705-F750 HydrophobicContact CE1-CZ 3.58Å; F705-F750 HydrophobicContact CZ-CE2 4.32Å; F705-F750 HydrophobicContact CZ-CZ 4.19Å; V725-F750 HydrophobicContact CG1-CE1 3.89Å; V725-F750 HydrophobicContact CG1-CZ 4.06Å; F726-F750 AromaticContact CD1-CE1 3.95Å; F726-F750 HydrophobicContact CD1-CE1 3.95Å; F726-F750 HydrophobicContact CD1-CZ 4.36Å; F726-F750 AromaticContact CE1-CE1 3.82Å; F726-F750 HydrophobicContact CE1-CE1 3.82Å; H729-F750 HydrophobicContact CB-CE2 4.06Å; H729-F750 HydrophobicContact CB-CZ 3.93Å; H729-F750 AromaticContact CD2-CE2 3.72Å; H729-F750 AromaticContact CE1-CE2 3.72Å; H729-F750 AromaticContact CG-CE2 3.54Å; H729-F750 AromaticContact CG-CZ 3.86Å; H729-F750 AromaticContact ND1-CE2 3.58Å; H729-F750 AromaticContact NE2-CE2 3.82Å; Y747-F750 HydrophobicContact CD1-CD2 4.44Å; Y747-F750 PolarHBondContact O-N 2.92Å; Y747-F750 VanDerWaalsContact O-N 3.08Å; G748-F750 PolarHBondContact O-N 3.17Å; F750-G752 PolarHBondContact O-N 3.15Å; F750-T753 WeakPolarHBondContact O-CB 3.41Å; F750-T753 PolarHBondContact O-N 3.49Å; F750-T753 VanDerWaalsContact O-N 3.1Å; F750-T753 PolarHBondContact O-OG1 3.05Å; F750-I755 HydrophobicContact CD1-CD1 3.85Å; F750-I755 HydrophobicContact CE1-CD1 4.35Å; F750-L792 HydrophobicContact CD1-CD1 4.14Å
751D83.8Confident84.7Confident118 Ų11855.6 Ų55.663%0.63134%0.336SS*.THydrogen-bonded Turntrans-59.2127.1173.2-80.6-26.3000111.7G748 T753 R757G748-D751 PolarHBondContact O-N 3.34Å; D751-T753 VanDerWaalsContact C-N 3.34Å; D751-R757 IonicContact OD1-CZ 2.66Å; D751-R757 IonicContact OD1-NH1 2.81Å; D751-R757 PolarHBondContact OD1-NH1 3.36Å
752G80.9Confident84.6Confident66 Ų6653.2 Ų53.268%0.6833%0.325SS*.THydrogen-bonded Turntrans82.65.8-176.500000115.1F750F750-G752 PolarHBondContact O-N 3.15Å
753T87.8Confident84.4Confident14 Ų1459.7 Ų59.79%0.08634%0.342CS..SBendtrans-96.6166.2170.573.80000111.7F750 D751 I755 L792 Y800F750-T753 WeakPolarHBondContact O-CB 3.41Å; F750-T753 PolarHBondContact O-N 3.49Å; F750-T753 VanDerWaalsContact O-N 3.1Å; F750-T753 PolarHBondContact O-OG1 3.05Å; D751-T753 VanDerWaalsContact C-N 3.34Å; T753-I755 VanDerWaalsContact C-N 3.32Å; T753-I755 PolarHBondContact OG1-N 2.86Å; T753-L792 HydrophobicContact CG2-CD1 3.97Å; T753-Y800 HydrophobicContact CG2-CD1 4.06Å; T753-Y800 HydrophobicContact CG2-CG 4.23Å
754D87.1Confident84.3Confident30 Ų3059.8 Ų59.816%0.1634%0.339CS..  trans-93.818172.857.3-7.3000112.9R694 C803 L804 I805R694-D754 WeakPolarHBondContact CD-OD1 3.32Å; R694-D754 WeakPolarHBondContact CD-OD2 3.48Å; R694-D754 IonicContact NE-OD2 2.67Å; D754-C803 WeakPolarHBondContact OD1-CA 3.41Å; D754-C803 WeakPolarHBondContact OD2-CA 3.44Å; D754-L804 PolarHBondContact OD2-N 3.2Å; D754-I805 HydrophobicContact CB-CD1 4.15Å; D754-I805 HydrophobicContact CB-CG1 4.38Å
755I89.3Confident84.4Confident5 Ų559.1 Ų59.13%0.02634%0.335CS..SBendtrans-77.6129.9174.2-61.8172.6000109L693 F705 F750 T753 Y800L693-I755 HydrophobicContact CB-CD1 4.04Å; L693-I755 HydrophobicContact CB-CG1 4.14Å; L693-I755 HydrophobicContact CD1-CD1 4.14Å; F705-I755 HydrophobicContact CZ-CG2 4.07Å; F750-I755 HydrophobicContact CD1-CD1 3.85Å; F750-I755 HydrophobicContact CE1-CD1 4.35Å; T753-I755 VanDerWaalsContact C-N 3.32Å; T753-I755 PolarHBondContact OG1-N 2.86Å; I755-Y800 HydrophobicContact CD1-CE1 4.38Å
756P85.1Confident84.5Confident32 Ų3260 Ų6021%0.20834%0.338CS..  trans-55.8140179.1-27.433000114.2R694 D697R694-P756 WeakPolarHBondContact O-CD 3.29Å; R694-P756 VanDerWaalsContact O-CG 3.23Å; R694-P756 WeakPolarHBondContact O-CG 3.37Å; D697-P756 HydrophobicContact CB-CB 4.23Å; D697-P756 HydrophobicContact CB-CG 4.27Å
757R83Confident84.5Confident112 Ų11253.9 Ų53.942%0.42331%0.311SS..SBendtrans-145125.8-178.6-64.9174.7-71.5165.91.6111.3Y747 D751Y747-R757 HydrophobicContact CD1-CB 4.36Å; Y747-R757 HydrophobicContact CD1-CG 3.8Å; Y747-R757 HydrophobicContact CG-CB 4.5Å; Y747-R757 HydrophobicContact CG-CG 4.15Å; D751-R757 IonicContact OD1-CZ 2.66Å; D751-R757 IonicContact OD1-NH1 2.81Å; D751-R757 PolarHBondContact OD1-NH1 3.36Å
758P80.3Confident84.7Confident105 Ų10554.8 Ų54.868%0.68232%0.323SS*.SBendcis-73.7148-13.732.3-33.6000111.4Y747Y747-P758 HydrophobicContact CE2-CB 3.92Å
759S77Confident84.9Confident6 Ų660.3 Ų60.34%0.04234%0.336CS..PPolyproline II helixtrans-80.2144.9169.851.80000110.6Y747Y747-S759 PolarHBondContact OH-N 2.77Å; Y747-S759 VanDerWaalsContact OH-N 3.07Å; Y747-S759 PolarHBondContact OH-OG 3.44Å; Y747-S759 VanDerWaalsContact OH-OG 3.12Å
760P84.8Confident85.2Confident73 Ų7361.8 Ų61.847%0.47435%0.349SS..PPolyproline II helixtrans-63.2137.2176.126.4-32.6000111
761L85.9Confident85.4Confident46 Ų4663.2 Ų63.224%0.24136%0.356CS..PPolyproline II helixtrans-67.7130175.6-69.9-178.9000110.1L733 A736 V737 A742 V745L733-L761 HydrophobicContact CD2-CD2 4.29Å; A736-L761 HydrophobicContact CB-CD1 4.48Å; A736-L761 HydrophobicContact CB-CD2 3.83Å; V737-L761 HydrophobicContact CG2-CB 4.37Å; V737-L761 HydrophobicContact CG2-CD2 4.19Å; A742-L761 HydrophobicContact CB-CD1 3.78Å; A742-L761 HydrophobicContact CB-CG 4.04Å; V745-L761 HydrophobicContact CG2-CD2 4.35Å
762P83.8Confident85.7Confident16 Ų1658 Ų5810%0.10433%0.328CS..PPolyproline II helixtrans-67.9146.6177.428.5-34.4000110.9P700 D702 V737 T764P700-P762 HydrophobicContact CB-CB 4.29Å; D702-P762 HydrophobicContact CB-CG 4.07Å; D702-P762 WeakPolarHBondContact OD1-CG 3.12Å; V737-P762 HydrophobicContact CG2-CG 3.66Å; P762-T764 VanDerWaalsContact C-N 3.35Å
763K81.4Confident86.2Confident194 Ų19459.3 Ų59.384%0.84332%0.316SS*.SBendtrans-74-27.2179.7-65.7178.9-176.9171.10113.2
764T83.5Confident86.4Confident96 Ų9663.9 Ų63.959%0.58934%0.337SS*.SBendtrans-137132-17953.10000108.5P762 F766P762-T764 VanDerWaalsContact C-N 3.35Å; T764-F766 PolarHBondContact O-N 3.49Å
765L87.8Confident86.7Confident56 Ų5662.7 Ų62.729%0.29333%0.331SS..  trans-61.6133.2175.4-65.5171.9000110.7C734 V737 E738C734-L765 HydrophobicContact CB-CD2 4.15Å; V737-L765 HydrophobicContact CB-CD2 3.75Å; V737-L765 HydrophobicContact CG1-CD2 3.65Å; V737-L765 HydrophobicContact CG1-CG 3.94Å; V737-L765 HydrophobicContact CG2-CD2 4.2Å; E738-L765 HydrophobicContact CG-CD1 4.19Å
766F85.8Confident86.9Confident27 Ų2766.2 Ų66.212%0.11835%0.346CS..SBendtrans-72.4-43179.1174.2-99.8000112.6R618 D702 R703 Y706 E707 T764R618-F766 HydrophobicContact CB-CD2 4.43Å; R618-F766 HydrophobicContact CB-CE2 3.92Å; R618-F766 HydrophobicContact CG-CD2 4.45Å; R618-F766 HydrophobicContact CG-CE2 3.6Å; R618-F766 HydrophobicContact CG-CZ 3.99Å; D702-F766 VanDerWaalsContact OD2-CB 3.24Å; D702-F766 WeakPolarHBondContact OD2-CB 3.49Å; D702-F766 PolarHBondContact OD2-N 3.1Å; R703-F766 HydrophobicContact CB-CB 3.96Å; R703-F766 HydrophobicContact CB-CD1 4.06Å; R703-F766 HydrophobicContact CB-CD2 3.66Å; R703-F766 HydrophobicContact CB-CE2 4.13Å; R703-F766 HydrophobicContact CB-CG 3.61Å; R703-F766 VanDerWaalsContact CD-CE2 3.46Å; R703-F766 HydrophobicContact CG-CD1 4.14Å; R703-F766 HydrophobicContact CG-CD2 3.58Å; R703-F766 HydrophobicContact CG-CE1 4.1Å; R703-F766 HydrophobicContact CG-CE2 3.5Å; R703-F766 HydrophobicContact CG-CG 3.89Å; R703-F766 HydrophobicContact CG-CZ 3.77Å; Y706-F766 AromaticContact CD1-CD1 4Å; Y706-F766 HydrophobicContact CD1-CD1 4Å; Y706-F766 AromaticContact CD1-CE1 3.63Å; Y706-F766 HydrophobicContact CD1-CE1 3.63Å; Y706-F766 HydrophobicContact CE1-CE1 4.04Å; Y706-F766 HydrophobicContact CG-CD1 4.48Å; E707-F766 HydrophobicContact CG-CE1 4.44Å; E707-F766 HydrophobicContact CG-CZ 4.48Å; T764-F766 PolarHBondContact O-N 3.49Å
767A85.4Confident87.2Confident6 Ų671.1 Ų71.15%0.0537%0.366CS..SBendtrans-91.6139.2-17600000111.3F730 E771 Q772F730-A767 HydrophobicContact CE2-CB 4.11Å; F730-A767 HydrophobicContact CZ-CB 3.57Å; A767-E771 HydrophobicContact CB-CB 4.07Å; A767-Q772 HydrophobicContact CB-CG 4.03Å; A767-Q772 PolarHBondContact O-NE2 3.26Å
768S89Confident87.7Confident57 Ų5768.9 Ų68.940%0.39936%0.357SS..  trans-66158.2171.261.80000111.9S770 E771 Q772S768-S770 PolarHBondContact O-N 2.88Å; S768-S770 VanDerWaalsContact O-N 3.14Å; S768-E771 WeakPolarHBondContact CB-OE2 3.36Å; S768-E771 PolarHBondContact N-OE2 3.02Å; S768-E771 PolarHBondContact O-N 3.09Å; S768-E771 WeakPolarHBondContact OG-CG 3.28Å; S768-E771 PolarHBondContact OG-N 3.49Å; S768-E771 PolarHBondContact OG-OE2 3.02Å; S768-Q772 WeakPolarHBondContact O-CG 3.34Å; S768-Q772 PolarHBondContact O-N 3.41Å
769E88.9Confident88.2Confident163 Ų16364.5 Ų64.576%0.76233%0.328SS*.Hα-helixtrans-52.9-36.7176.1-68.4178.1-176.100112.2Q772 E773E769-Q772 PolarHBondContact O-N 3.1Å; E769-E773 WeakPolarHBondContact O-CG 3.31Å; E769-E773 PolarHBondContact O-N 3.13Å
770S90.6Very high88.8Confident75 Ų7569.9 Ų69.952%0.52436%0.356SS..Hα-helixtrans-65.3-43.1176.2-169.90000112.5S768 Q772 E773 E774S768-S770 PolarHBondContact O-N 2.88Å; S768-S770 VanDerWaalsContact O-N 3.14Å; S770-Q772 VanDerWaalsContact C-N 3.3Å; S770-E773 PolarHBondContact O-N 3.46Å; S770-E774 WeakPolarHBondContact O-CG 3.47Å; S770-E774 PolarHBondContact O-N 3.45Å
771E91.7Very high89.1Confident30 Ų3069.5 Ų69.514%0.1436%0.359CS..Hα-helixtrans-67.4-34.7178.1-72.5165.3138.100110.9R618 Y706 A767 S768 V775R618-E771 IonicContact CZ-OE1 3.09Å; R618-E771 IonicContact CZ-OE2 3.99Å; R618-E771 IonicContact NH1-OE1 3.78Å; R618-E771 PolarHBondContact NH1-OE1 3.07Å; R618-E771 VanDerWaalsContact NH1-OE1 3.12Å; R618-E771 IonicContact NH1-OE2 3.22Å; R618-E771 PolarHBondContact NH1-OE2 3.5Å; R618-E771 IonicContact NH2-OE1 2.74Å; R618-E771 PolarHBondContact NH2-OE1 2.98Å; R618-E771 IonicContact NH2-OE2 2.69Å; Y706-E771 HydrophobicContact CE2-CB 4.48Å; A767-E771 HydrophobicContact CB-CB 4.07Å; S768-E771 WeakPolarHBondContact CB-OE2 3.36Å; S768-E771 PolarHBondContact N-OE2 3.02Å; S768-E771 PolarHBondContact O-N 3.09Å; S768-E771 WeakPolarHBondContact OG-CG 3.28Å; S768-E771 PolarHBondContact OG-N 3.49Å; S768-E771 PolarHBondContact OG-OE2 3.02Å; E771-V775 WeakPolarHBondContact O-CG2 3.29Å; E771-V775 PolarHBondContact O-N 3Å; E771-V775 VanDerWaalsContact O-N 3.1Å
772Q90.8Very high89.2Confident8 Ų867.5 Ų67.54%0.03735%0.349CS..Hα-helixtrans-67.8-43174.9-66177.732.600112F730 A767 S768 E769 S770 V775 K776F730-Q772 HydrophobicContact CE1-CG 4.45Å; F730-Q772 HydrophobicContact CZ-CG 4.11Å; A767-Q772 HydrophobicContact CB-CG 4.03Å; A767-Q772 PolarHBondContact O-NE2 3.26Å; S768-Q772 WeakPolarHBondContact O-CG 3.34Å; S768-Q772 PolarHBondContact O-N 3.41Å; E769-Q772 PolarHBondContact O-N 3.1Å; S770-Q772 VanDerWaalsContact C-N 3.3Å; Q772-V775 PolarHBondContact O-N 2.86Å; Q772-K776 WeakPolarHBondContact O-CG 3.49Å; Q772-K776 PolarHBondContact O-N 3.22Å
773E91.4Very high89.3Confident95 Ų9570.2 Ų70.244%0.44437%0.368SS..Hα-helixtrans-62.5-41.5174.9-74.3-62.3131.400111.7E769 S770 V775 K776 E777E769-E773 WeakPolarHBondContact O-CG 3.31Å; E769-E773 PolarHBondContact O-N 3.13Å; S770-E773 PolarHBondContact O-N 3.46Å; E773-V775 VanDerWaalsContact C-N 3.31Å; E773-V775 PolarHBondContact O-N 3.41Å; E773-K776 PolarHBondContact O-N 3.38Å; E773-K776 WeakPolarHBondContact OE1-CD 3.09Å; E773-K776 IonicContact OE1-NZ 3.96Å; E773-K776 PolarHBondContact OE1-NZ 3.39Å; E773-E777 WeakPolarHBondContact O-CG 3.37Å; E773-E777 PolarHBondContact O-N 3.18Å
774E92.7Very high89.7Confident110 Ų11066.6 Ų66.651%0.51436%0.362SS..Hα-helixtrans-58.8-42.2173.9-75.1176.4-164.900112.2S770 W778S770-E774 WeakPolarHBondContact O-CG 3.47Å; S770-E774 PolarHBondContact O-N 3.45Å; E774-W778 WeakPolarHBondContact O-CB 3.43Å; E774-W778 PolarHBondContact O-N 3.4Å
775V93.1Very high89.7Confident5 Ų565.6 Ų65.63%0.0335%0.353CS..Hα-helixtrans-66.7-42.7176.3171.30000111.3Y706 M710 L727 F730 L731 E771 Q772 E773 W778 I779Y706-V775 HydrophobicContact CD2-CG2 4.11Å; Y706-V775 HydrophobicContact CE2-CG2 3.72Å; M710-V775 HydrophobicContact SD-CG2 4.41Å; L727-V775 HydrophobicContact CB-CG1 3.83Å; L727-V775 HydrophobicContact CD1-CG1 4.4Å; L727-V775 HydrophobicContact CD2-CG1 4.08Å; L727-V775 HydrophobicContact CD2-CG2 4.14Å; L727-V775 HydrophobicContact CG-CG1 4.32Å; F730-V775 HydrophobicContact CD1-CG1 4.05Å; F730-V775 HydrophobicContact CE1-CB 4.37Å; F730-V775 HydrophobicContact CE1-CG1 4.25Å; F730-V775 HydrophobicContact CE1-CG2 4.29Å; L731-V775 HydrophobicContact CD1-CG1 4.39Å; L731-V775 HydrophobicContact CD2-CB 4.49Å; L731-V775 HydrophobicContact CD2-CG1 4.07Å; L731-V775 HydrophobicContact CG-CG1 4.1Å; E771-V775 WeakPolarHBondContact O-CG2 3.29Å; E771-V775 PolarHBondContact O-N 3Å; E771-V775 VanDerWaalsContact O-N 3.1Å; Q772-V775 PolarHBondContact O-N 2.86Å; E773-V775 VanDerWaalsContact C-N 3.31Å; E773-V775 PolarHBondContact O-N 3.41Å; V775-W778 PolarHBondContact O-N 2.97Å; V775-I779 HydrophobicContact CG1-CD1 3.65Å; V775-I779 HydrophobicContact CG1-CG1 4.34Å; V775-I779 WeakPolarHBondContact O-CG1 3.29Å; V775-I779 PolarHBondContact O-N 3.13Å
776K92.7Very high89.4Confident78 Ų7872.2 Ų72.234%0.33938%0.38SS..Hα-helixtrans-59.3-47.7175-73172.9-167.71710111.4L731 Q772 E773 W778 I779 L780L731-K776 HydrophobicContact CD1-CB 4.4Å; L731-K776 HydrophobicContact CD1-CG 3.59Å; L731-K776 HydrophobicContact CD2-CG 3.89Å; L731-K776 HydrophobicContact CG-CG 4.43Å; Q772-K776 WeakPolarHBondContact O-CG 3.49Å; Q772-K776 PolarHBondContact O-N 3.22Å; E773-K776 PolarHBondContact O-N 3.38Å; E773-K776 WeakPolarHBondContact OE1-CD 3.09Å; E773-K776 IonicContact OE1-NZ 3.96Å; E773-K776 PolarHBondContact OE1-NZ 3.39Å; K776-W778 VanDerWaalsContact C-N 3.31Å; K776-W778 PolarHBondContact O-N 3.08Å; K776-I779 PolarHBondContact O-N 3.45Å; K776-L780 WeakPolarHBondContact O-CB 3.49Å; K776-L780 VanDerWaalsContact O-CG 3.29Å; K776-L780 WeakPolarHBondContact O-CG 3.33Å; K776-L780 PolarHBondContact O-N 3.15Å
777E92.6Very high89.3Confident135 Ų13577.4 Ų77.463%0.63141%0.409SS*.Hα-helixtrans-59.6-42.7177.4-74.8-172.1171.300111.6E773 L780 A781E773-E777 WeakPolarHBondContact O-CG 3.37Å; E773-E777 PolarHBondContact O-N 3.18Å; E777-L780 PolarHBondContact O-N 3.25Å; E777-A781 WeakPolarHBondContact O-CB 3.49Å; E777-A781 PolarHBondContact O-N 3.41Å
778W92.3Very high89.2Confident65 Ų6578.7 Ų78.725%0.24641%0.414CS..Hα-helixtrans-66.5-43.6177.7-174.486.7000112.5M713 A723 F724 L727 E774 V775 K776 L780 A781 A782M713-W778 HydrophobicContact CG-CD2 4.42Å; M713-W778 HydrophobicContact CG-CZ2 3.96Å; M713-W778 HydrophobicContact SD-CB 4.49Å; M713-W778 VanDerWaalsContact SD-CD1 3.52Å; M713-W778 HydrophobicContact SD-CD2 3.68Å; M713-W778 VanDerWaalsContact SD-CE2 3.6Å; M713-W778 HydrophobicContact SD-CE3 4.43Å; M713-W778 HydrophobicContact SD-CG 3.65Å; M713-W778 HydrophobicContact SD-CZ2 4.31Å; M713-W778 PolarHBondContact SD-NE1 2.98Å; A723-W778 HydrophobicContact CB-CH2 3.73Å; A723-W778 HydrophobicContact CB-CZ2 4.41Å; A723-W778 HydrophobicContact CB-CZ3 4.32Å; F724-W778 HydrophobicContact CB-CH2 4.4Å; F724-W778 HydrophobicContact CB-CZ3 4.36Å; L727-W778 HydrophobicContact CD1-CD2 4.41Å; L727-W778 HydrophobicContact CD1-CE3 3.66Å; L727-W778 HydrophobicContact CD1-CZ3 3.76Å; E774-W778 WeakPolarHBondContact O-CB 3.43Å; E774-W778 PolarHBondContact O-N 3.4Å; V775-W778 PolarHBondContact O-N 2.97Å; K776-W778 VanDerWaalsContact C-N 3.31Å; K776-W778 PolarHBondContact O-N 3.08Å; W778-L780 VanDerWaalsContact C-N 3.33Å; W778-L780 PolarHBondContact O-N 2.87Å; W778-A781 PolarHBondContact O-N 3.05Å; W778-A782 HydrophobicContact CD2-CB 4.47Å; W778-A782 HydrophobicContact CE3-CB 4.28Å; W778-A782 HydrophobicContact CH2-CB 4.15Å; W778-A782 HydrophobicContact CZ2-CB 4.35Å; W778-A782 HydrophobicContact CZ3-CB 4.12Å; W778-A782 VanDerWaalsContact O-CB 3.28Å; W778-A782 WeakPolarHBondContact O-CB 3.22Å; W778-A782 PolarHBondContact O-N 2.94Å
779I91.1Very high89Confident14 Ų1481.5 Ų81.57%0.07242%0.419CS..Hα-helixtrans-62.6-41.6177-71.8166000110.8F724 L727 N728 L731 V775 K776 A781 A782 S783F724-I779 HydrophobicContact CE2-CG2 3.97Å; L727-I779 HydrophobicContact CB-CD1 3.89Å; L727-I779 HydrophobicContact CB-CG1 4.21Å; N728-I779 HydrophobicContact CB-CD1 4.35Å; L731-I779 HydrophobicContact CD1-CD1 3.41Å; L731-I779 VanDerWaalsContact CD1-CD1 3.41Å; L731-I779 HydrophobicContact CG-CD1 3.95Å; V775-I779 HydrophobicContact CG1-CD1 3.65Å; V775-I779 HydrophobicContact CG1-CG1 4.34Å; V775-I779 WeakPolarHBondContact O-CG1 3.29Å; V775-I779 PolarHBondContact O-N 3.13Å; K776-I779 PolarHBondContact O-N 3.45Å; I779-A781 PolarHBondContact O-N 2.95Å; I779-A782 PolarHBondContact O-N 3.32Å; I779-S783 WeakPolarHBondContact O-CB 3.48Å; I779-S783 PolarHBondContact O-N 3.1Å
780L90.3Very high88.8Confident119 Ų11979.3 Ų79.362%0.62340%0.404SS*.Hα-helixtrans-60.7-45.5174.9-73.1172.1000111.1K776 E777 W778 S783K776-L780 WeakPolarHBondContact O-CB 3.49Å; K776-L780 VanDerWaalsContact O-CG 3.29Å; K776-L780 WeakPolarHBondContact O-CG 3.33Å; K776-L780 PolarHBondContact O-N 3.15Å; E777-L780 PolarHBondContact O-N 3.25Å; W778-L780 VanDerWaalsContact C-N 3.33Å; W778-L780 PolarHBondContact O-N 2.87Å; L780-S783 PolarHBondContact O-N 2.92Å; L780-S783 PolarHBondContact O-OG 2.89Å
781A89.9Confident88.6Confident64 Ų6481 Ų8153%0.52940%0.404SS..Hα-helixtrans-63.3-43.8175.800000112.2E777 W778 I779 S783 V784 D785E777-A781 WeakPolarHBondContact O-CB 3.49Å; E777-A781 PolarHBondContact O-N 3.41Å; W778-A781 PolarHBondContact O-N 3.05Å; I779-A781 PolarHBondContact O-N 2.95Å; A781-S783 VanDerWaalsContact C-N 3.33Å; A781-S783 PolarHBondContact O-N 2.93Å; A781-V784 PolarHBondContact O-N 2.9Å; A781-D785 PolarHBondContact O-N 3.22Å
782A88.9Confident88.6Confident5 Ų581 Ų814%0.04141%0.405CS..Hα-helixtrans-66-33.2179.200000112.6F724 W778 I779 V784 D785 I788F724-A782 HydrophobicContact CD2-CB 3.79Å; F724-A782 HydrophobicContact CE2-CB 4.26Å; W778-A782 HydrophobicContact CD2-CB 4.47Å; W778-A782 HydrophobicContact CE3-CB 4.28Å; W778-A782 HydrophobicContact CH2-CB 4.15Å; W778-A782 HydrophobicContact CZ2-CB 4.35Å; W778-A782 HydrophobicContact CZ3-CB 4.12Å; W778-A782 VanDerWaalsContact O-CB 3.28Å; W778-A782 WeakPolarHBondContact O-CB 3.22Å; W778-A782 PolarHBondContact O-N 2.94Å; I779-A782 PolarHBondContact O-N 3.32Å; A782-V784 PolarHBondContact O-N 2.97Å; A782-D785 PolarHBondContact O-N 3.3Å; A782-D785 VanDerWaalsContact O-N 3.16Å; A782-I788 HydrophobicContact CB-CD1 3.6Å
783S86Confident88.5Confident73 Ų7381.3 Ų81.351%0.5141%0.407SS..Hα-helixtrans-66.8-22.4177.176.20000113.7I779 L780 A781I779-S783 WeakPolarHBondContact O-CB 3.48Å; I779-S783 PolarHBondContact O-N 3.1Å; L780-S783 PolarHBondContact O-N 2.92Å; L780-S783 PolarHBondContact O-OG 2.89Å; A781-S783 VanDerWaalsContact C-N 3.33Å; A781-S783 PolarHBondContact O-N 2.93Å
784V88.8Confident88.4Confident118 Ų11881 Ų8172%0.71541%0.412SS*.Hα-helixtrans-87.1-23.2175.9-179.70000111.3A781 A782A781-V784 PolarHBondContact O-N 2.9Å; A782-V784 PolarHBondContact O-N 2.97Å
785D83.8Confident88Confident75 Ų7577.5 Ų77.540%0.40140%0.397SS..  trans-73.6125.7179.1-162.7-19.7000110.9A781 A782 D787 I788A781-D785 PolarHBondContact O-N 3.22Å; A782-D785 PolarHBondContact O-N 3.3Å; A782-D785 VanDerWaalsContact O-N 3.16Å; D785-D787 VanDerWaalsContact C-N 3.25Å; D785-D787 PolarHBondContact O-N 3.2Å; D785-D787 PolarHBondContact OD1-N 3.33Å; D785-I788 HydrophobicContact CB-CD1 4.16Å; D785-I788 HydrophobicContact CB-CG1 4.24Å
786K80.9Confident87.5Confident194 Ų19485.7 Ų85.784%0.84344%0.44SS*.SBendtrans-75.8-17.5-179.8-66-176.9-179.3178.80112.8
787D83.7Confident87Confident137 Ų13784.5 Ų84.573%0.73343%0.434SS*.SBendtrans-81.6-21.5-178.3-68-22.6000111.8D785D785-D787 VanDerWaalsContact C-N 3.25Å; D785-D787 PolarHBondContact O-N 3.2Å; D785-D787 PolarHBondContact OD1-N 3.33Å
788I83.5Confident86.5Confident33 Ų3380.9 Ų80.917%0.16943%0.433CS..  trans-90.7121.7-179.6-59.7177.2000110A720 N721 F724 A782 D785A720-I788 HydrophobicContact CB-CG1 4.39Å; N721-I788 WeakPolarHBondContact OD1-CA 3.1Å; F724-I788 HydrophobicContact CB-CG2 3.76Å; F724-I788 HydrophobicContact CD2-CG2 4.22Å; F724-I788 HydrophobicContact CG-CG2 4Å; A782-I788 HydrophobicContact CB-CD1 3.6Å; D785-I788 HydrophobicContact CB-CD1 4.16Å; D785-I788 HydrophobicContact CB-CG1 4.24Å
789K84.6Confident86.3Confident115 Ų11578.9 Ų78.950%0.543%0.427SS..  trans-114.5149.2176-60.9-177.4-177.1178.60110.6N721 E791N721-K789 WeakPolarHBondContact CA-O 3.37Å; N721-K789 WeakPolarHBondContact CB-O 3.22Å; N721-K789 VanDerWaalsContact CG-O 3.25Å; N721-K789 PolarHBondContact OD1-N 3.14Å; K789-E791 HydrophobicContact CB-CG 4.18Å; K789-E791 PolarHBondContact O-N 3.05Å
790R86.1Confident86.2Confident117 Ų11778.7 Ų78.744%0.44243%0.426SS..SBendtrans-76.269.5172.7-169.1179.1179.3171.7-1.3110.1F724 V725 D749F724-R790 HydrophobicContact CD1-CB 4.26Å; F724-R790 HydrophobicContact CD1-CG 4.4Å; F724-R790 HydrophobicContact CE1-CB 4.18Å; F724-R790 HydrophobicContact CE1-CG 4.3Å; V725-R790 HydrophobicContact CG2-CG 4Å; D749-R790 VanDerWaalsContact CG-NH2 3.3Å; D749-R790 IonicContact OD1-CZ 2.68Å; D749-R790 IonicContact OD1-NE 3.94Å; D749-R790 PolarHBondContact OD1-NE 3.49Å; D749-R790 IonicContact OD1-NH2 2.81Å; D749-R790 PolarHBondContact OD1-NH2 3.35Å; D749-R790 IonicContact OD2-CZ 3.03Å; D749-R790 IonicContact OD2-NE 2.78Å; D749-R790 PolarHBondContact OD2-NE 3.25Å; D749-R790 IonicContact OD2-NH2 2.62Å; D749-R790 PolarHBondContact OD2-NH2 2.93Å
791E86.6Confident86.1Confident111 Ų11173.5 Ų73.552%0.51940%0.398SS..  trans-139.5136.4-176.4-68.9175.3-169.500110.9N721 K789N721-E791 VanDerWaalsContact CB-O 3.32Å; N721-E791 WeakPolarHBondContact CB-O 3.23Å; K789-E791 HydrophobicContact CB-CG 4.18Å; K789-E791 PolarHBondContact O-N 3.05Å
792L90.3Very high86.1Confident31 Ų3170.5 Ų70.516%0.16237%0.374CS..PPolyproline II helixtrans-82146.5173-67.1176.5000111.3V725 F726 F750 T753 T794 Y800V725-L792 HydrophobicContact CB-CD2 4.07Å; V725-L792 HydrophobicContact CG1-CD2 3.88Å; V725-L792 HydrophobicContact CG1-CG 4.42Å; V725-L792 HydrophobicContact CG2-CD2 4.37Å; F726-L792 HydrophobicContact CE1-CD2 3.76Å; F726-L792 HydrophobicContact CE2-CD2 4.43Å; F726-L792 HydrophobicContact CZ-CD2 3.65Å; F750-L792 HydrophobicContact CD1-CD1 4.14Å; T753-L792 HydrophobicContact CG2-CD1 3.97Å; L792-T794 PolarHBondContact O-N 2.98Å; L792-Y800 HydrophobicContact CB-CD2 3.88Å; L792-Y800 HydrophobicContact CB-CE2 4.34Å; L792-Y800 HydrophobicContact CD1-CD2 4.32Å; L792-Y800 HydrophobicContact CD2-CE2 4.44Å
793P89.9Confident86.2Confident13 Ų1370.3 Ų70.38%0.08437%0.372CS..PPolyproline II helixtrans-67.9126.7179.524.4-31.1000110.9F690 Y719 A722 Y800 E801F690-P793 HydrophobicContact CE2-CG 4.15Å; Y719-P793 HydrophobicContact CD1-CG 4.24Å; Y719-P793 HydrophobicContact CE1-CB 4.33Å; Y719-P793 HydrophobicContact CE1-CG 4.17Å; A722-P793 HydrophobicContact CB-CG 4.18Å; P793-Y800 HydrophobicContact CG-CD2 4.39Å; P793-Y800 HydrophobicContact CG-CE2 4.05Å; P793-Y800 WeakPolarHBondContact O-CA 3.48Å; P793-Y800 WeakPolarHBondContact O-CD2 3.21Å; P793-E801 HydrophobicContact CB-CG 4.22Å; P793-E801 HydrophobicContact CG-CG 3.99Å; P793-E801 PolarHBondContact O-N 3.32Å
794T87.9Confident86.4Confident89 Ų8968.1 Ų68.155%0.54636%0.355SS..BIsolated β-bridgetrans-102.5146.3176.2500000111.2L792 V799L792-T794 PolarHBondContact O-N 2.98Å; T794-V799 VanDerWaalsContact CA-O 3.24Å; T794-V799 WeakPolarHBondContact CA-O 3.32Å
795D84.9Confident86.3Confident37 Ų3765.7 Ų65.720%0.19834%0.337CS..  trans-98.3-173174.969.815.2000112.2R797 G798 V799 E801 I823D795-R797 PolarHBondContact O-N 3.13Å; D795-R797 WeakPolarHBondContact OD1-CA 3.25Å; D795-R797 WeakPolarHBondContact OD1-CB 3.48Å; D795-R797 PolarHBondContact OD1-N 3.23Å; D795-R797 IonicContact OD1-NE 2.69Å; D795-R797 PolarHBondContact OD1-NE 3.27Å; D795-R797 IonicContact OD1-NH2 2.75Å; D795-R797 IonicContact OD2-CZ 3.14Å; D795-R797 IonicContact OD2-NE 2.8Å; D795-R797 PolarHBondContact OD2-NE 3.38Å; D795-R797 IonicContact OD2-NH2 3.57Å; D795-R797 PolarHBondContact OD2-NH2 2.71Å; D795-G798 PolarHBondContact O-N 3.17Å; D795-V799 PolarHBondContact N-O 3.19Å; D795-V799 VanDerWaalsContact N-O 3.08Å; D795-E801 HydrophobicContact CB-CB 4.07Å; D795-I823 WeakPolarHBondContact OD2-CD1 3.3Å
796D82.5Confident86.4Confident176 Ų17663.4 Ų63.494%0.94133%0.325SS*.THydrogen-bonded Turntrans-60.5-16.3-179.6-63.6-28.8000113.7G798D796-G798 VanDerWaalsContact C-N 3.3Å
797R82.5Confident86.3Confident54 Ų5457.9 Ų57.920%0.20432%0.315CS..THydrogen-bonded Turntrans-82.6-10.5175.5-53.5173.5-70.1165.35.6112.1D795 V799 C803 N806 P821 I823D795-R797 PolarHBondContact O-N 3.13Å; D795-R797 WeakPolarHBondContact OD1-CA 3.25Å; D795-R797 WeakPolarHBondContact OD1-CB 3.48Å; D795-R797 PolarHBondContact OD1-N 3.23Å; D795-R797 IonicContact OD1-NE 2.69Å; D795-R797 PolarHBondContact OD1-NE 3.27Å; D795-R797 IonicContact OD1-NH2 2.75Å; D795-R797 IonicContact OD2-CZ 3.14Å; D795-R797 IonicContact OD2-NE 2.8Å; D795-R797 PolarHBondContact OD2-NE 3.38Å; D795-R797 IonicContact OD2-NH2 3.57Å; D795-R797 PolarHBondContact OD2-NH2 2.71Å; R797-V799 VanDerWaalsContact C-N 3.26Å; R797-V799 HydrophobicContact CB-CG2 3.99Å; R797-V799 PolarHBondContact O-N 3.14Å; R797-C803 PolarHBondContact NH1-O 3.35Å; R797-C803 PolarHBondContact NH2-O 3.23Å; R797-N806 WeakPolarHBondContact CD-OD1 3.39Å; R797-N806 PolarHBondContact NH1-OD1 3.45Å; R797-P821 VanDerWaalsContact NH2-CG 3.28Å; R797-I823 HydrophobicContact CG-CD1 4.32Å
798G82.5Confident86.3Confident59 Ų5957 Ų5761%0.60831%0.311SS*.SBendtrans75.911.5-176.200000114.2D795 D796D795-G798 PolarHBondContact O-N 3.17Å; D796-G798 VanDerWaalsContact C-N 3.3Å
799V87.1Confident86.2Confident22 Ų2262.1 Ų62.113%0.13334%0.338CS..SBendtrans-108.2167.8172.5-61.50000110T794 D795 R797 E801 C803 A807T794-V799 VanDerWaalsContact CA-O 3.24Å; T794-V799 WeakPolarHBondContact CA-O 3.32Å; D795-V799 PolarHBondContact N-O 3.19Å; D795-V799 VanDerWaalsContact N-O 3.08Å; R797-V799 VanDerWaalsContact C-N 3.26Å; R797-V799 HydrophobicContact CB-CG2 3.99Å; R797-V799 PolarHBondContact O-N 3.14Å; V799-E801 PolarHBondContact O-N 3.27Å; V799-C803 HydrophobicContact CG2-CB 4.45Å; V799-A807 HydrophobicContact CG1-CB 4.07Å
800Y88.8Confident86.3Confident11 Ų1158.9 Ų58.94%0.04333%0.33CS..BIsolated β-bridgetrans-52.9131.5173.2171.4-126.6000110.7F690 F726 T753 I755 L792 P793 A802 C803F690-Y800 WeakPolarHBondContact CB-OH 3.4Å; F690-Y800 HydrophobicContact CD2-CE2 4.36Å; F690-Y800 VanDerWaalsContact CD2-OH 3.31Å; F690-Y800 WeakPolarHBondContact CD2-OH 3.13Å; F690-Y800 WeakPolarHBondContact CG-OH 3.33Å; F726-Y800 HydrophobicContact CZ-CE2 4.4Å; F726-Y800 WeakPolarHBondContact CZ-OH 3.49Å; T753-Y800 HydrophobicContact CG2-CD1 4.06Å; T753-Y800 HydrophobicContact CG2-CG 4.23Å; I755-Y800 HydrophobicContact CD1-CE1 4.38Å; L792-Y800 HydrophobicContact CB-CD2 3.88Å; L792-Y800 HydrophobicContact CB-CE2 4.34Å; L792-Y800 HydrophobicContact CD1-CD2 4.32Å; L792-Y800 HydrophobicContact CD2-CE2 4.44Å; P793-Y800 HydrophobicContact CG-CD2 4.39Å; P793-Y800 HydrophobicContact CG-CE2 4.05Å; P793-Y800 WeakPolarHBondContact O-CA 3.48Å; P793-Y800 WeakPolarHBondContact O-CD2 3.21Å; Y800-A802 HydrophobicContact CD1-CB 4.2Å; Y800-A802 HydrophobicContact CE1-CB 3.57Å; Y800-A802 PolarHBondContact O-N 3.4Å; Y800-A802 VanDerWaalsContact O-N 3.08Å; Y800-C803 HydrophobicContact CD1-CB 4.26Å; Y800-C803 WeakPolarHBondContact O-CB 3.44Å; Y800-C803 PolarHBondContact O-N 3.31Å
801E89.8Confident86.3Confident9 Ų959.9 Ų59.94%0.04234%0.343CS..THydrogen-bonded Turntrans-60.5-26.1-167.262.7168.6-145.700114.8R718 Y719 P793 D795 V799 Y820 P821R718-E801 IonicContact CZ-OE2 3Å; R718-E801 IonicContact NH2-OE2 3.12Å; R718-E801 PolarHBondContact NH2-OE2 3.23Å; Y719-E801 VanDerWaalsContact CE1-OE1 3.23Å; Y719-E801 WeakPolarHBondContact CE1-OE1 3.43Å; Y719-E801 PolarHBondContact OH-OE1 2.77Å; Y719-E801 PolarHBondContact OH-OE2 3.46Å; P793-E801 HydrophobicContact CB-CG 4.22Å; P793-E801 HydrophobicContact CG-CG 3.99Å; P793-E801 PolarHBondContact O-N 3.32Å; D795-E801 HydrophobicContact CB-CB 4.07Å; V799-E801 PolarHBondContact O-N 3.27Å; E801-Y820 HydrophobicContact CB-CE1 4.15Å; E801-Y820 HydrophobicContact CG-CE1 3.84Å; E801-Y820 PolarHBondContact OE1-OH 3.37Å; E801-P821 WeakPolarHBondContact O-CD 3.42Å; E801-P821 WeakPolarHBondContact O-CG 3.5Å
802A90Very high86.3Confident1 Ų155.7 Ų55.71%0.00833%0.326CS..THydrogen-bonded Turntrans-92.6-4.7176.900000113.2F690 R694 Y800 L804 Y820F690-A802 HydrophobicContact CB-CB 3.99Å; R694-A802 PolarHBondContact NH1-O 2.68Å; Y800-A802 HydrophobicContact CD1-CB 4.2Å; Y800-A802 HydrophobicContact CE1-CB 3.57Å; Y800-A802 PolarHBondContact O-N 3.4Å; Y800-A802 VanDerWaalsContact O-N 3.08Å; A802-L804 PolarHBondContact O-N 2.67Å; A802-Y820 HydrophobicContact CB-CD2 4.09Å; A802-Y820 HydrophobicContact CB-CE1 4.36Å; A802-Y820 HydrophobicContact CB-CE2 3.49Å; A802-Y820 VanDerWaalsContact CB-CE2 3.49Å
803C90.3Very high86.2Confident1 Ų158.1 Ų58.11%0.00734%0.339CS..  trans-70.9126.6-178.6-168.30000110.8D754 R797 V799 Y800 I805D754-C803 WeakPolarHBondContact OD1-CA 3.41Å; D754-C803 WeakPolarHBondContact OD2-CA 3.44Å; R797-C803 PolarHBondContact NH1-O 3.35Å; R797-C803 PolarHBondContact NH2-O 3.23Å; V799-C803 HydrophobicContact CG2-CB 4.45Å; Y800-C803 HydrophobicContact CD1-CB 4.26Å; Y800-C803 WeakPolarHBondContact O-CB 3.44Å; Y800-C803 PolarHBondContact O-N 3.31Å; C803-I805 PolarHBondContact SG-O 3.23Å
804L89.7Confident86.2Confident28 Ų2858.8 Ų58.815%0.14735%0.346CS..SBendtrans-78.2-25.9175.5-62.1179.9000111.8D754 A802 N806 S812 A814 P821D754-L804 PolarHBondContact OD2-N 3.2Å; A802-L804 PolarHBondContact O-N 2.67Å; L804-N806 PolarHBondContact O-N 3.11Å; L804-S812 WeakPolarHBondContact O-CB 3.41Å; L804-S812 PolarHBondContact O-N 3.4Å; L804-S812 PolarHBondContact O-OG 3.39Å; L804-A814 HydrophobicContact CD1-CB 3.96Å; L804-A814 HydrophobicContact CD2-CB 3.99Å; L804-P821 HydrophobicContact CD2-CB 4.12Å
805I87.7Confident86.5Confident67 Ų6754.6 Ų54.634%0.34432%0.321SS..BIsolated β-bridgetrans-79.3116.1177.1-54.2173.2000108.9D754 C803 L811D754-I805 HydrophobicContact CB-CD1 4.15Å; D754-I805 HydrophobicContact CB-CG1 4.38Å; C803-I805 PolarHBondContact SG-O 3.23Å; I805-L811 HydrophobicContact CG1-CD2 3.86Å
806N84.2Confident86.9Confident27 Ų2753.1 Ų53.114%0.14431%0.313CS..  trans-74.3163.3175.5-65.8-40.8000111R797 L804 D808 N809 S810 S812R797-N806 WeakPolarHBondContact CD-OD1 3.39Å; R797-N806 PolarHBondContact NH1-OD1 3.45Å; L804-N806 PolarHBondContact O-N 3.11Å; N806-D808 WeakPolarHBondContact CB-OD1 3.26Å; N806-D808 PolarHBondContact O-N 3.41Å; N806-N809 WeakPolarHBondContact O-CA 3.36Å; N806-N809 PolarHBondContact O-N 3.17Å; N806-S810 WeakPolarHBondContact CB-O 3.47Å; N806-S810 WeakPolarHBondContact CB-OG 3.4Å; N806-S810 PolarHBondContact N-O 2.91Å; N806-S810 PolarHBondContact ND2-O 3.26Å; N806-S810 PolarHBondContact ND2-OG 3.12Å; N806-S812 PolarHBondContact ND2-OG 2.87Å; N806-S812 PolarHBondContact OD1-OG 3.47Å
807A80.7Confident87.3Confident78 Ų7844.8 Ų44.865%0.64527%0.268SS*.THydrogen-bonded Turntrans-59.4-18.6177.900000114.3V799V799-A807 HydrophobicContact CG1-CB 4.07Å
808D82.6Confident87.8Confident119 Ų11942.2 Ų42.264%0.63626%0.258SS*.THydrogen-bonded Turntrans-93.89.8175.267.6-9.9000113.6N806 S810N806-D808 WeakPolarHBondContact CB-OD1 3.26Å; N806-D808 PolarHBondContact O-N 3.41Å; D808-S810 VanDerWaalsContact CG-OG 3.31Å; D808-S810 PolarHBondContact O-N 3.16Å; D808-S810 VanDerWaalsContact OD1-CB 3.27Å; D808-S810 WeakPolarHBondContact OD1-CB 3.31Å; D808-S810 PolarHBondContact OD1-N 2.87Å; D808-S810 PolarHBondContact OD1-OG 2.83Å; D808-S810 PolarHBondContact OD2-OG 3.44Å
809N81.3Confident88.2Confident140 Ų14039.4 Ų39.475%0.74923%0.229SC*.SBendtrans62.714.5-172.2-62.2-26.1000115.1N806N806-N809 WeakPolarHBondContact O-CA 3.36Å; N806-N809 PolarHBondContact O-N 3.17Å
810S86.2Confident88.5Confident47 Ų4739.2 Ų39.233%0.32923%0.226SC..PPolyproline II helixtrans-76.9146.6168.167.30000111.1N806 D808N806-S810 WeakPolarHBondContact CB-O 3.47Å; N806-S810 WeakPolarHBondContact CB-OG 3.4Å; N806-S810 PolarHBondContact N-O 2.91Å; N806-S810 PolarHBondContact ND2-O 3.26Å; N806-S810 PolarHBondContact ND2-OG 3.12Å; D808-S810 VanDerWaalsContact CG-OG 3.31Å; D808-S810 PolarHBondContact O-N 3.16Å; D808-S810 VanDerWaalsContact OD1-CB 3.27Å; D808-S810 WeakPolarHBondContact OD1-CB 3.31Å; D808-S810 PolarHBondContact OD1-N 2.87Å; D808-S810 PolarHBondContact OD1-OG 2.83Å; D808-S810 PolarHBondContact OD2-OG 3.44Å
811L86.2Confident88.6Confident138 Ų13838.9 Ų38.972%0.72323%0.226SC*.BIsolated β-bridgetrans-91125.8177.1-71.2164.3000109.9I805I805-L811 HydrophobicContact CG1-CD2 3.86Å
812S86.6Confident88.6Confident23 Ų2339.6 Ų39.616%0.16123%0.23CC..PPolyproline II helixtrans-83143.4170.1-61.10000110.6L804 N806 A814L804-S812 WeakPolarHBondContact O-CB 3.41Å; L804-S812 PolarHBondContact O-N 3.4Å; L804-S812 PolarHBondContact O-OG 3.39Å; N806-S812 PolarHBondContact ND2-OG 2.87Å; N806-S812 PolarHBondContact OD1-OG 3.47Å; S812-A814 PolarHBondContact O-N 3.07Å
813D88.3Confident88.1Confident81 Ų8143.3 Ų43.343%0.43325%0.249SC..PPolyproline II helixtrans-60.4131.3171.5-61.2-49.5000110.2V822 F835D813-V822 WeakPolarHBondContact O-CG2 3.41Å; D813-V822 PolarHBondContact O-N 3.16Å; D813-F835 HydrophobicContact CB-CD2 3.9Å; D813-F835 WeakPolarHBondContact OD2-CD2 3.39Å; D813-F835 WeakPolarHBondContact OD2-CE2 3.4Å
814A91.5Very high87.7Confident28 Ų2846.5 Ų46.523%0.23128%0.282CS..BIsolated β-bridgetrans-74.4135173.300000110.6L804 S812 I816L804-A814 HydrophobicContact CD1-CB 3.96Å; L804-A814 HydrophobicContact CD2-CB 3.99Å; S812-A814 PolarHBondContact O-N 3.07Å; A814-I816 PolarHBondContact O-N 2.91Å
815C93.1Very high87.6Confident1 Ų147.8 Ų47.81%0.00729%0.294CS..BIsolated β-bridgetrans-69.1116.4176.6177.20000109.6L817 T818 G819 Y820 V822 F835 N837C815-L817 PolarHBondContact O-N 2.87Å; C815-T818 VanDerWaalsContact CB-OG1 3.31Å; C815-T818 WeakPolarHBondContact CB-OG1 3.23Å; C815-T818 PolarHBondContact O-N 2.96Å; C815-T818 PolarHBondContact SG-OG1 3.13Å; C815-G819 WeakPolarHBondContact O-CA 3.47Å; C815-G819 PolarHBondContact O-N 3.35Å; C815-Y820 WeakPolarHBondContact CB-O 3.12Å; C815-Y820 PolarHBondContact N-O 3.18Å; C815-V822 HydrophobicContact CB-CG2 3.79Å; C815-F835 CarbonylContact C-O 3.1Å; C815-F835 VanDerWaalsContact CA-O 3.31Å; C815-F835 WeakPolarHBondContact CA-O 3.32Å; C815-N837 PolarHBondContact SG-N 2.93Å
816I92.2Very high87.7Confident6 Ų651.5 Ų51.53%0.03130%0.303CS..THydrogen-bonded Turntrans-56.6-22.3-178.5-166.659.9000113.7H664 N668 A814 F829 F834 F835 A836 I863 W866H664-I816 PolarHBondContact CD2-O 2.89Å; H664-I816 PolarHBondContact NE2-O 2.81Å; N668-I816 PolarHBondContact ND2-O 3.27Å; A814-I816 PolarHBondContact O-N 2.91Å; I816-F829 HydrophobicContact CG2-CE2 3.83Å; I816-F829 HydrophobicContact CG2-CZ 4.45Å; I816-F834 HydrophobicContact CB-CB 4.13Å; I816-F834 HydrophobicContact CD1-CB 4.31Å; I816-F834 HydrophobicContact CD1-CD2 4.37Å; I816-F834 HydrophobicContact CD1-CG 4.24Å; I816-F834 HydrophobicContact CG1-CB 4.35Å; I816-F835 PolarHBondContact N-O 3.49Å; I816-A836 HydrophobicContact CG2-CB 4Å; I816-I863 HydrophobicContact CG1-CG2 4.4Å; I816-I863 HydrophobicContact CG2-CG2 3.79Å; I816-W866 HydrophobicContact CD1-CE3 4.02Å; I816-W866 HydrophobicContact CD1-CH2 4.3Å; I816-W866 HydrophobicContact CD1-CZ3 3.83Å; I816-W866 HydrophobicContact CG1-CE3 4.31Å; I816-W866 HydrophobicContact CG1-CZ3 4.46Å
817L92.6Very high88Confident0 Ų054 Ų540%031%0.313CS..THydrogen-bonded Turntrans-83-46.7175.7177.566.2000112.2N668 I684 C815 D840 I844 M859 I863N668-L817 PolarHBondContact ND2-O 3.45Å; I684-L817 HydrophobicContact CG2-CD2 4.3Å; C815-L817 PolarHBondContact O-N 2.87Å; L817-D840 HydrophobicContact CD2-CB 4.1Å; L817-I844 HydrophobicContact CD1-CG1 4.31Å; L817-I844 HydrophobicContact CD1-CG2 4.45Å; L817-I844 HydrophobicContact CD2-CB 4.22Å; L817-I844 HydrophobicContact CD2-CG1 3.63Å; L817-M859 HydrophobicContact CD1-CE 4.33Å; L817-M859 HydrophobicContact CD1-SD 4.36Å; L817-I863 HydrophobicContact CD1-CD1 4.18Å
818T92.8Very high88.3Confident0 Ų053 Ų530%031%0.305CS..THydrogen-bonded Turntrans-114.8-16.4-165.255.30000115.7I684 K687 I688 S691 C815 Y820I684-T818 HydrophobicContact CG2-CG2 3.52Å; K687-T818 HydrophobicContact CB-CG2 4.29Å; K687-T818 HydrophobicContact CD-CG2 4.43Å; I688-T818 WeakPolarHBondContact CA-O 3.27Å; I688-T818 HydrophobicContact CG1-CG2 4.34Å; S691-T818 WeakPolarHBondContact CB-O 3.22Å; S691-T818 PolarHBondContact OG-O 3.39Å; C815-T818 VanDerWaalsContact CB-OG1 3.31Å; C815-T818 WeakPolarHBondContact CB-OG1 3.23Å; C815-T818 PolarHBondContact O-N 2.96Å; C815-T818 PolarHBondContact SG-OG1 3.13Å; T818-Y820 PolarHBondContact O-N 3.13Å; T818-Y820 PolarHBondContact OG1-N 3.4Å
819G91Very high88.5Confident0 Ų048.1 Ų48.10%028%0.278CS..  trans73.4-4.5-168.800000114.5Y665 S691 R694 C815Y665-G819 VanDerWaalsContact CZ-CA 3.5Å; S691-G819 WeakPolarHBondContact OG-CA 3.42Å; S691-G819 PolarHBondContact OG-O 3.27Å; R694-G819 PolarHBondContact NH1-O 3.18Å; R694-G819 VanDerWaalsContact NH1-O 3.07Å; R694-G819 PolarHBondContact NH2-O 3.29Å; C815-G819 WeakPolarHBondContact O-CA 3.47Å; C815-G819 PolarHBondContact O-N 3.35Å
820Y92.3Very high88.4Confident18 Ų1847.3 Ų47.37%0.07128%0.28CS..SBendtrans-71.6154.8177.9-96.9-128000111.9K687 F690 S691 E801 A802 C815 T818 V822K687-Y820 HydrophobicContact CB-CD1 4.47Å; K687-Y820 HydrophobicContact CB-CD2 3.54Å; K687-Y820 HydrophobicContact CB-CE1 4.34Å; K687-Y820 HydrophobicContact CB-CE2 3.46Å; K687-Y820 VanDerWaalsContact CB-CE2 3.46Å; K687-Y820 HydrophobicContact CB-CG 4.07Å; K687-Y820 HydrophobicContact CD-CD1 4.27Å; K687-Y820 HydrophobicContact CD-CE1 4.4Å; K687-Y820 HydrophobicContact CD-CG 4.33Å; K687-Y820 HydrophobicContact CG-CD1 4.08Å; K687-Y820 HydrophobicContact CG-CD2 4.05Å; K687-Y820 HydrophobicContact CG-CE1 3.8Å; K687-Y820 HydrophobicContact CG-CE2 3.85Å; K687-Y820 HydrophobicContact CG-CG 4.16Å; K687-Y820 VanDerWaalsContact O-CD2 3.26Å; K687-Y820 WeakPolarHBondContact O-CD2 3.34Å; K687-Y820 WeakPolarHBondContact O-CE2 3.4Å; F690-Y820 HydrophobicContact CB-CE2 3.92Å; F690-Y820 WeakPolarHBondContact CD2-OH 3.48Å; S691-Y820 VanDerWaalsContact OG-CD2 3.27Å; S691-Y820 WeakPolarHBondContact OG-CD2 3.42Å; S691-Y820 PolarHBondContact OG-N 2.96Å; E801-Y820 HydrophobicContact CB-CE1 4.15Å; E801-Y820 HydrophobicContact CG-CE1 3.84Å; E801-Y820 PolarHBondContact OE1-OH 3.37Å; A802-Y820 HydrophobicContact CB-CD2 4.09Å; A802-Y820 HydrophobicContact CB-CE1 4.36Å; A802-Y820 HydrophobicContact CB-CE2 3.49Å; A802-Y820 VanDerWaalsContact CB-CE2 3.49Å; C815-Y820 WeakPolarHBondContact CB-O 3.12Å; C815-Y820 PolarHBondContact N-O 3.18Å; T818-Y820 PolarHBondContact O-N 3.13Å; T818-Y820 PolarHBondContact OG1-N 3.4Å; Y820-V822 PolarHBondContact O-N 2.8Å
821P90.9Very high87.8Confident5 Ų550.4 Ų50.43%0.03229%0.293CS..BIsolated β-bridgetrans-60.1131.1173.324.1-32.1000111R797 E801 L804 I823R797-P821 VanDerWaalsContact NH2-CG 3.28Å; E801-P821 WeakPolarHBondContact O-CD 3.42Å; E801-P821 WeakPolarHBondContact O-CG 3.5Å; L804-P821 HydrophobicContact CD2-CB 4.12Å; P821-I823 HydrophobicContact CB-CD1 4.34Å; P821-I823 HydrophobicContact CB-CG1 4.19Å; P821-I823 HydrophobicContact CG-CD1 4.13Å; P821-I823 HydrophobicContact CG-CG1 4.46Å; P821-I823 PolarHBondContact O-N 2.53Å
822V89.4Confident87.2Confident23 Ų2344.8 Ų44.814%0.13927%0.267CS..  trans-77.688.6179-179.30000109.9D813 C815 Y820 R826 F835D813-V822 WeakPolarHBondContact O-CG2 3.41Å; D813-V822 PolarHBondContact O-N 3.16Å; C815-V822 HydrophobicContact CB-CG2 3.79Å; Y820-V822 PolarHBondContact O-N 2.8Å; V822-R826 HydrophobicContact CG1-CB 3.54Å; V822-F835 HydrophobicContact CG1-CB 4.36Å; V822-F835 HydrophobicContact CG2-CB 4.2Å
823I81.2Confident86.9Confident79 Ų7949 Ų4941%0.40529%0.292SS..  trans-99.3120.2178.6-53.3169.2000109.7D795 R797 P821D795-I823 WeakPolarHBondContact OD2-CD1 3.3Å; R797-I823 HydrophobicContact CG-CD1 4.32Å; P821-I823 HydrophobicContact CB-CD1 4.34Å; P821-I823 HydrophobicContact CB-CG1 4.19Å; P821-I823 HydrophobicContact CG-CD1 4.13Å; P821-I823 HydrophobicContact CG-CG1 4.46Å; P821-I823 PolarHBondContact O-N 2.53Å
824G81.9Confident86.8Confident68 Ų6848.8 Ų48.870%0.70129%0.287SS*.SBendtrans88.8-123.1175.500000114.5R826G824-R826 PolarHBondContact O-N 3.22Å
825S87.8Confident86.8Confident56 Ų5649.1 Ų49.139%0.39228%0.283SS..SBendtrans-74.2110-173.258.90000111.7R838S825-R838 WeakPolarHBondContact O-CB 3.31Å; S825-R838 PolarHBondContact O-N 3.37Å
826R89.6Confident86.7Confident144 Ų14449.1 Ų49.154%0.54328%0.283SS..EExtended strand (participates in β ladder)trans-100147178.670-176.2-178.7-179-0.4113.5V822 G824 F835 A836V822-R826 HydrophobicContact CG1-CB 3.54Å; G824-R826 PolarHBondContact O-N 3.22Å; R826-F835 HydrophobicContact CB-CB 4.41Å; R826-F835 HydrophobicContact CG-CD1 4.33Å; R826-A836 WeakPolarHBondContact CA-O 3.47Å
827K89Confident86.7Confident81 Ų8150.1 Ų50.135%0.35229%0.288SS..EExtended strand (participates in β ladder)trans-101.4118.1165.8172.367.7177.7-177.60107.5F829 F835 A836 W841K827-F829 HydrophobicContact CG-CE1 4.36Å; K827-F829 HydrophobicContact CG-CE2 4.25Å; K827-F829 HydrophobicContact CG-CZ 3.99Å; K827-F835 WeakPolarHBondContact O-CA 3.47Å; K827-A836 HydrophobicContact CB-CB 4.34Å; K827-A836 PolarHBondContact N-O 3.41Å; K827-A836 PolarHBondContact O-N 2.91Å; K827-W841 HydrophobicContact CG-CG 4.26Å
828A87.8Confident86.6Confident56 Ų5656.6 Ų56.646%0.46331%0.313SS..EExtended strand (participates in β ladder)trans-94.6146.7171.700000110F835A828-F835 HydrophobicContact CB-CD1 3.95Å; A828-F835 HydrophobicContact CB-CE1 3.92Å
829F87.5Confident86.5Confident16 Ų1664.1 Ų64.17%0.0735%0.346CS..  trans-106.9141.7177.1-61.8-87.8000109.5I816 K827 N831 A832 A836 W841 I863 E864I816-F829 HydrophobicContact CG2-CE2 3.83Å; I816-F829 HydrophobicContact CG2-CZ 4.45Å; K827-F829 HydrophobicContact CG-CE1 4.36Å; K827-F829 HydrophobicContact CG-CE2 4.25Å; K827-F829 HydrophobicContact CG-CZ 3.99Å; F829-N831 VanDerWaalsContact C-N 3.29Å; F829-N831 PolarHBondContact O-N 3.28Å; F829-A832 HydrophobicContact CB-CB 4.16Å; F829-A832 PolarHBondContact O-N 3.46Å; F829-A836 HydrophobicContact CE2-CB 3.9Å; F829-A836 HydrophobicContact CZ-CB 4.17Å; F829-W841 HydrophobicContact CE1-CD2 4.48Å; F829-W841 AromaticContact CE1-CE2 4Å; F829-W841 AromaticContact CE1-CH2 3.94Å; F829-W841 HydrophobicContact CE1-CH2 3.94Å; F829-W841 AromaticContact CE1-CZ2 3.72Å; F829-W841 HydrophobicContact CE1-CZ2 3.72Å; F829-W841 HydrophobicContact CE1-CZ3 4.42Å; F829-W841 HydrophobicContact CZ-CD2 4Å; F829-W841 AromaticContact CZ-CE2 3.99Å; F829-W841 HydrophobicContact CZ-CE3 4.02Å; F829-W841 HydrophobicContact CZ-CH2 4.04Å; F829-W841 HydrophobicContact CZ-CZ2 4.02Å; F829-W841 HydrophobicContact CZ-CZ3 4.04Å; F829-I863 HydrophobicContact CE1-CG2 3.99Å; F829-I863 HydrophobicContact CE2-CG2 4.16Å; F829-I863 HydrophobicContact CZ-CG2 3.69Å; F829-E864 HydrophobicContact CE1-CG 4.34Å
830P78Confident86.6Confident123 Ų12364.9 Ų64.980%0.79935%0.35SS*.THydrogen-bonded Turntrans-63.3-31.4-168.8-22.333000114.7
831N73.7Confident86.6Confident112 Ų11264.3 Ų64.360%0.59935%0.348SS*.THydrogen-bonded Turntrans-108.44.4-171.2-62.5-17.9000113.2F829F829-N831 VanDerWaalsContact C-N 3.29Å; F829-N831 PolarHBondContact O-N 3.28Å
832A73.1Confident86.7Confident21 Ų2167.4 Ų67.417%0.17436%0.364CS..  trans-128.3150.9-171.500000112F829 F834F829-A832 HydrophobicContact CB-CB 4.16Å; F829-A832 PolarHBondContact O-N 3.46Å; A832-F834 VanDerWaalsContact C-N 3.26Å; A832-F834 HydrophobicContact CB-CD2 3.93Å
833T81.6Confident86.8Confident111 Ų11168.2 Ų68.268%0.68137%0.365SS*.SBendtrans-81.3-6.8170.849.20000112.6F835T833-F835 WeakPolarHBondContact O-CE2 3.41Å
834F85.9Confident87.3Confident77 Ų7764.4 Ų64.434%0.33835%0.346SS..  trans-90157.1-175.2-44.3-69.1000113.1I816 A832 W866I816-F834 HydrophobicContact CB-CB 4.13Å; I816-F834 HydrophobicContact CD1-CB 4.31Å; I816-F834 HydrophobicContact CD1-CD2 4.37Å; I816-F834 HydrophobicContact CD1-CG 4.24Å; I816-F834 HydrophobicContact CG1-CB 4.35Å; A832-F834 VanDerWaalsContact C-N 3.26Å; A832-F834 HydrophobicContact CB-CD2 3.93Å; F834-W866 AromaticContact CE2-NE1 3.92Å
835F90.6Very high87.7Confident35 Ų3562.5 Ų62.515%0.15432%0.321CS..EExtended strand (participates in β ladder)trans-125.3152.5-179.8-55.7-75.8000110.8D813 C815 I816 V822 R826 K827 A828 T833D813-F835 HydrophobicContact CB-CD2 3.9Å; D813-F835 WeakPolarHBondContact OD2-CD2 3.39Å; D813-F835 WeakPolarHBondContact OD2-CE2 3.4Å; C815-F835 CarbonylContact C-O 3.1Å; C815-F835 VanDerWaalsContact CA-O 3.31Å; C815-F835 WeakPolarHBondContact CA-O 3.32Å; I816-F835 PolarHBondContact N-O 3.49Å; V822-F835 HydrophobicContact CG1-CB 4.36Å; V822-F835 HydrophobicContact CG2-CB 4.2Å; R826-F835 HydrophobicContact CB-CB 4.41Å; R826-F835 HydrophobicContact CG-CD1 4.33Å; K827-F835 WeakPolarHBondContact O-CA 3.47Å; A828-F835 HydrophobicContact CB-CD1 3.95Å; A828-F835 HydrophobicContact CB-CE1 3.92Å; T833-F835 WeakPolarHBondContact O-CE2 3.41Å
836A91.6Very high87.8Confident0 Ų065.4 Ų65.40%033%0.329CS..EExtended strand (participates in β ladder)trans-115.8150.6166.900000110.8I816 R826 K827 F829 R838 W841I816-A836 HydrophobicContact CG2-CB 4Å; R826-A836 WeakPolarHBondContact CA-O 3.47Å; K827-A836 HydrophobicContact CB-CB 4.34Å; K827-A836 PolarHBondContact N-O 3.41Å; K827-A836 PolarHBondContact O-N 2.91Å; F829-A836 HydrophobicContact CE2-CB 3.9Å; F829-A836 HydrophobicContact CZ-CB 4.17Å; A836-R838 PolarHBondContact O-N 3.49Å; A836-W841 HydrophobicContact CB-CB 4.15Å; A836-W841 HydrophobicContact CB-CE3 4.41Å
837N91.8Very high87.8Confident27 Ų2759 Ų5914%0.14431%0.307CS..EExtended strand (participates in β ladder)trans-65.3120.7166.2-169.4-36.4000108.7C815 K839 D840 W841C815-N837 PolarHBondContact SG-N 2.93Å; N837-K839 VanDerWaalsContact C-N 3.27Å; N837-K839 PolarHBondContact O-N 3.13Å; N837-K839 PolarHBondContact OD1-N 3.27Å; N837-D840 HydrophobicContact CB-CB 4.3Å; N837-D840 PolarHBondContact O-N 3.21Å; N837-W841 WeakPolarHBondContact O-CB 3.25Å; N837-W841 PolarHBondContact O-N 3.17Å
838R91.6Very high87.8Confident137 Ų13755.3 Ų55.352%0.51729%0.291SS..Hα-helixtrans-59-38.2-172.4-176.2172.6-178.4162.70.7112.6S825 A836 D842S825-R838 WeakPolarHBondContact O-CB 3.31Å; S825-R838 PolarHBondContact O-N 3.37Å; A836-R838 PolarHBondContact O-N 3.49Å; R838-D842 WeakPolarHBondContact CG-OD2 3.13Å; R838-D842 IonicContact NE-OD2 3.75Å; R838-D842 WeakPolarHBondContact O-CB 3.23Å; R838-D842 PolarHBondContact O-N 2.89Å
839K91.6Very high87.7Confident158 Ų15859.9 Ų59.969%0.68730%0.3SS*.Hα-helixtrans-65.3-45.4-179.8-67-176.4-179177.20111.5N837 K843N837-K839 VanDerWaalsContact C-N 3.27Å; N837-K839 PolarHBondContact O-N 3.13Å; N837-K839 PolarHBondContact OD1-N 3.27Å; K839-K843 WeakPolarHBondContact O-CB 3.38Å; K839-K843 PolarHBondContact O-N 2.91Å
840D92.3Very high87.7Confident16 Ų1665 Ų659%0.08633%0.333CS..Hα-helixtrans-68.3-42.8-180-62.4-28.8000110.2I684 K687 L817 N837 K843 I844I684-D840 HydrophobicContact CD1-CB 4.11Å; I684-D840 HydrophobicContact CG1-CB 4.29Å; K687-D840 IonicContact NZ-OD1 3.97Å; K687-D840 PolarHBondContact NZ-OD1 3.37Å; K687-D840 IonicContact NZ-OD2 2.71Å; K687-D840 PolarHBondContact NZ-OD2 3.02Å; L817-D840 HydrophobicContact CD2-CB 4.1Å; N837-D840 HydrophobicContact CB-CB 4.3Å; N837-D840 PolarHBondContact O-N 3.21Å; D840-K843 PolarHBondContact O-N 2.94Å; D840-I844 WeakPolarHBondContact O-CG1 3.28Å; D840-I844 PolarHBondContact O-N 3.35Å
841W92.3Very high87.8Confident6 Ų660.9 Ų60.92%0.02331%0.309CS..Hα-helixtrans-61-52.4176.9-179.1-99.1000112.9K827 F829 A836 N837 K843 I844 V845 V860 I863 E864K827-W841 HydrophobicContact CG-CG 4.26Å; F829-W841 HydrophobicContact CE1-CD2 4.48Å; F829-W841 AromaticContact CE1-CE2 4Å; F829-W841 AromaticContact CE1-CH2 3.94Å; F829-W841 HydrophobicContact CE1-CH2 3.94Å; F829-W841 AromaticContact CE1-CZ2 3.72Å; F829-W841 HydrophobicContact CE1-CZ2 3.72Å; F829-W841 HydrophobicContact CE1-CZ3 4.42Å; F829-W841 HydrophobicContact CZ-CD2 4Å; F829-W841 AromaticContact CZ-CE2 3.99Å; F829-W841 HydrophobicContact CZ-CE3 4.02Å; F829-W841 HydrophobicContact CZ-CH2 4.04Å; F829-W841 HydrophobicContact CZ-CZ2 4.02Å; F829-W841 HydrophobicContact CZ-CZ3 4.04Å; A836-W841 HydrophobicContact CB-CB 4.15Å; A836-W841 HydrophobicContact CB-CE3 4.41Å; N837-W841 WeakPolarHBondContact O-CB 3.25Å; N837-W841 PolarHBondContact O-N 3.17Å; W841-K843 PolarHBondContact O-N 3.49Å; W841-I844 PolarHBondContact O-N 3.31Å; W841-I844 VanDerWaalsContact O-N 3.16Å; W841-V845 HydrophobicContact CD2-CG2 4.2Å; W841-V845 HydrophobicContact CZ2-CG2 3.87Å; W841-V845 WeakPolarHBondContact O-CG2 3.29Å; W841-V845 PolarHBondContact O-N 2.63Å; W841-V860 HydrophobicContact CH2-CG1 4.11Å; W841-V860 HydrophobicContact CZ2-CG1 4.22Å; W841-I863 HydrophobicContact CE3-CG2 4.44Å; W841-I863 HydrophobicContact CH2-CB 3.89Å; W841-I863 HydrophobicContact CH2-CG2 3.7Å; W841-I863 HydrophobicContact CZ3-CB 3.89Å; W841-I863 HydrophobicContact CZ3-CD1 3.95Å; W841-I863 HydrophobicContact CZ3-CG2 3.49Å; W841-I863 VanDerWaalsContact CZ3-CG2 3.49Å; W841-E864 HydrophobicContact CH2-CG 4.04Å; W841-E864 HydrophobicContact CZ2-CG 3.73Å
842D92.3Very high88.2Confident70 Ų7065.7 Ų65.737%0.37432%0.319SS..Hα-helixtrans-59.8-36.1-179.2-70.5-18000110.4R838 M846R838-D842 WeakPolarHBondContact CG-OD2 3.13Å; R838-D842 IonicContact NE-OD2 3.75Å; R838-D842 WeakPolarHBondContact O-CB 3.23Å; R838-D842 PolarHBondContact O-N 2.89Å; D842-M846 WeakPolarHBondContact O-CE 3.38Å; D842-M846 WeakPolarHBondContact O-CG 3.31Å; D842-M846 PolarHBondContact O-N 2.9Å
843K91.9Very high88.8Confident39 Ų3965.4 Ų65.417%0.1732%0.316CS..Hα-helixtrans-66.2-47.7175.6-178.960.7-174.9-151.30112.5D678 E680 I684 K839 D840 W841 V845 M846 S847D678-K843 IonicContact OD1-NZ 2.61Å; D678-K843 WeakPolarHBondContact OD2-CE 3.33Å; D678-K843 IonicContact OD2-NZ 3.94Å; D678-K843 PolarHBondContact OD2-NZ 3.09Å; E680-K843 HydrophobicContact CB-CD 4.43Å; E680-K843 HydrophobicContact CB-CG 4.32Å; E680-K843 WeakPolarHBondContact OE2-CD 3.43Å; E680-K843 WeakPolarHBondContact OE2-CE 3.47Å; E680-K843 IonicContact OE2-NZ 3.69Å; E680-K843 PolarHBondContact OE2-NZ 3.39Å; I684-K843 HydrophobicContact CD1-CB 4.28Å; I684-K843 HydrophobicContact CD1-CG 4.2Å; K839-K843 WeakPolarHBondContact O-CB 3.38Å; K839-K843 PolarHBondContact O-N 2.91Å; D840-K843 PolarHBondContact O-N 2.94Å; W841-K843 PolarHBondContact O-N 3.49Å; K843-V845 PolarHBondContact O-N 3.08Å; K843-M846 HydrophobicContact CD-CE 4.43Å; K843-M846 PolarHBondContact O-N 3.11Å; K843-S847 PolarHBondContact O-N 3.4Å; K843-S847 PolarHBondContact O-OG 3.35Å
844I91.7Very high89.1Confident0 Ų063.7 Ų63.70%031%0.308CS..Hα-helixtrans-63.6-40.4179.6-69.4-44.4000112.1L672 V681 I684 L817 D840 W841 M846 S847 S848 M856 M859 V860L672-I844 HydrophobicContact CD1-CD1 4.27Å; L672-I844 HydrophobicContact CD2-CD1 3.37Å; L672-I844 HydrophobicContact CD2-CG1 4.05Å; L672-I844 HydrophobicContact CD2-CG2 4.27Å; L672-I844 HydrophobicContact CG-CD1 4.47Å; V681-I844 HydrophobicContact CG1-CD1 4.34Å; V681-I844 HydrophobicContact CG2-CD1 4.19Å; I684-I844 HydrophobicContact CD1-CD1 3.63Å; I684-I844 HydrophobicContact CD1-CG1 3.87Å; I684-I844 HydrophobicContact CG2-CD1 4.22Å; I684-I844 HydrophobicContact CG2-CG1 4.3Å; L817-I844 HydrophobicContact CD1-CG1 4.31Å; L817-I844 HydrophobicContact CD1-CG2 4.45Å; L817-I844 HydrophobicContact CD2-CB 4.22Å; L817-I844 HydrophobicContact CD2-CG1 3.63Å; D840-I844 WeakPolarHBondContact O-CG1 3.28Å; D840-I844 PolarHBondContact O-N 3.35Å; W841-I844 PolarHBondContact O-N 3.31Å; W841-I844 VanDerWaalsContact O-N 3.16Å; I844-M846 VanDerWaalsContact C-N 3.27Å; I844-M846 PolarHBondContact O-N 2.93Å; I844-S847 PolarHBondContact O-N 3.1Å; I844-S848 PolarHBondContact O-N 3.3Å; I844-M856 HydrophobicContact CG2-CE 4.41Å; I844-M859 HydrophobicContact CG2-CE 3.46Å; I844-M859 VanDerWaalsContact CG2-CE 3.46Å; I844-V860 HydrophobicContact CG2-CG2 4.22Å
845V91.1Very high89.3Confident28 Ų2860 Ų6017%0.1729%0.292CS..Hα-helixtrans-64-32.5175.9173.80000112W841 K843 S848 K849 V860W841-V845 HydrophobicContact CD2-CG2 4.2Å; W841-V845 HydrophobicContact CZ2-CG2 3.87Å; W841-V845 WeakPolarHBondContact O-CG2 3.29Å; W841-V845 PolarHBondContact O-N 2.63Å; K843-V845 PolarHBondContact O-N 3.08Å; V845-S848 PolarHBondContact O-OG 3.37Å; V845-S848 VanDerWaalsContact O-OG 3.14Å; V845-K849 WeakPolarHBondContact O-CG 3.16Å; V845-V860 HydrophobicContact CG2-CG1 4.22Å
846M89.8Confident89.3Confident116 Ų11658.4 Ų58.457%0.57129%0.285SS*.Hα-helixtrans-71.7-45.3171.5-72.7-173.6-70.800111.4D842 K843 I844 S848 K849 V850D842-M846 WeakPolarHBondContact O-CE 3.38Å; D842-M846 WeakPolarHBondContact O-CG 3.31Å; D842-M846 PolarHBondContact O-N 2.9Å; K843-M846 HydrophobicContact CD-CE 4.43Å; K843-M846 PolarHBondContact O-N 3.11Å; I844-M846 VanDerWaalsContact C-N 3.27Å; I844-M846 PolarHBondContact O-N 2.93Å; M846-S848 PolarHBondContact O-N 3.1Å; M846-K849 PolarHBondContact O-N 3.11Å; M846-V850 WeakPolarHBondContact O-CG2 3.44Å; M846-V850 PolarHBondContact O-N 3.26Å
847S89.1Confident89.2Confident10 Ų1061.4 Ų61.47%0.0730%0.301CS..Hα-helixtrans-65.8-35.7-179.1-65.30000112.9V681 K843 I844 K849 V850 A851V681-S847 WeakPolarHBondContact CG2-OG 3.38Å; K843-S847 PolarHBondContact O-N 3.4Å; K843-S847 PolarHBondContact O-OG 3.35Å; I844-S847 PolarHBondContact O-N 3.1Å; S847-K849 PolarHBondContact O-N 3.43Å; S847-V850 PolarHBondContact O-N 2.95Å; S847-V850 VanDerWaalsContact O-N 3.16Å; S847-A851 WeakPolarHBondContact O-CB 3.48Å; S847-A851 PolarHBondContact O-N 3.12Å
848S88.2Confident89.2Confident4 Ų463.2 Ų63.23%0.02831%0.311CS..Hα-helixtrans-61.3-45.1177.168.20000111.6I844 V845 M846 V850 A851 R852I844-S848 PolarHBondContact O-N 3.3Å; V845-S848 PolarHBondContact O-OG 3.37Å; V845-S848 VanDerWaalsContact O-OG 3.14Å; M846-S848 PolarHBondContact O-N 3.1Å; S848-V850 PolarHBondContact O-N 2.96Å; S848-A851 PolarHBondContact O-N 3.42Å; S848-R852 PolarHBondContact O-N 3.46Å
849K87.1Confident89.3Confident151 Ų15156.7 Ų56.766%0.65729%0.286SS*.Hα-helixtrans-61.1-30.6175.9-67.3175.2-175.7176.80113.1V845 M846 S847V845-K849 WeakPolarHBondContact O-CG 3.16Å; M846-K849 PolarHBondContact O-N 3.11Å; S847-K849 PolarHBondContact O-N 3.43Å
850V86.7Confident89.3Confident123 Ų12349.8 Ų49.875%0.74526%0.257SS*.Hα-helixtrans-81.3-45.3178.3176.20000111M846 S847 S848 R852M846-V850 WeakPolarHBondContact O-CG2 3.44Å; M846-V850 PolarHBondContact O-N 3.26Å; S847-V850 PolarHBondContact O-N 2.95Å; S847-V850 VanDerWaalsContact O-N 3.16Å; S848-V850 PolarHBondContact O-N 2.96Å; V850-R852 VanDerWaalsContact C-N 3.34Å; V850-R852 PolarHBondContact O-N 2.75Å
851A80.8Confident89.2Confident37 Ų3754.6 Ų54.631%0.30628%0.279SS..Hα-helixtrans-68.5-31.1-177.500000112.9A675 S847 S848 S853 M856A675-A851 HydrophobicContact CB-CB 4.2Å; S847-A851 WeakPolarHBondContact O-CB 3.48Å; S847-A851 PolarHBondContact O-N 3.12Å; S848-A851 PolarHBondContact O-N 3.42Å; A851-S853 PolarHBondContact O-N 3.34Å; A851-M856 HydrophobicContact CB-SD 3.69Å
852R80.9Confident89.2Confident214 Ų21455.9 Ų55.981%0.80828%0.284SS*.  trans51.435.4-176.3-57.5-179.1179.6173.5-0.3112.7S848 V850S848-R852 PolarHBondContact O-N 3.46Å; V850-R852 VanDerWaalsContact C-N 3.34Å; V850-R852 PolarHBondContact O-N 2.75Å
853S85.5Confident89.1Confident15 Ų1552.7 Ų52.711%0.10527%0.267CS..  trans-91.4136175.878.20000109.8A851 A855 M856 D857A851-S853 PolarHBondContact O-N 3.34Å; S853-A855 PolarHBondContact O-N 3.26Å; S853-M856 PolarHBondContact O-N 3.16Å; S853-M856 VanDerWaalsContact OG-CB 3.31Å; S853-M856 WeakPolarHBondContact OG-CB 3.33Å; S853-M856 VanDerWaalsContact OG-CG 3.22Å; S853-M856 WeakPolarHBondContact OG-CG 3.47Å; S853-M856 PolarHBondContact OG-N 2.68Å; S853-D857 PolarHBondContact O-N 3.44Å
854S88.9Confident88.9Confident75 Ų7555 Ų5552%0.52428%0.279SS..Hα-helixtrans-59.9-34176.246.90000112.1Q623 D858Q623-S854 PolarHBondContact OE1-OG 3.2Å; S854-D858 VanDerWaalsContact O-CB 3.23Å; S854-D858 WeakPolarHBondContact O-CB 3.4Å; S854-D858 PolarHBondContact O-N 2.94Å
855A90.3Very high88.7Confident0 Ų060.4 Ų60.40%031%0.307CS..Hα-helixtrans-64.3-44.5177.300000113.1Y626 A671 F674 S853 M859Y626-A855 HydrophobicContact CD1-CB 3.57Å; Y626-A855 HydrophobicContact CD2-CB 3.98Å; Y626-A855 HydrophobicContact CE1-CB 3.89Å; Y626-A855 HydrophobicContact CE2-CB 4.27Å; Y626-A855 HydrophobicContact CG-CB 3.62Å; Y626-A855 PolarHBondContact OH-O 3.04Å; A671-A855 HydrophobicContact CB-CB 4.35Å; F674-A855 HydrophobicContact CD2-CB 3.92Å; F674-A855 HydrophobicContact CE2-CB 3.69Å; F674-A855 HydrophobicContact CZ-CB 4.42Å; S853-A855 PolarHBondContact O-N 3.26Å; A855-M859 WeakPolarHBondContact O-CB 3.26Å; A855-M859 PolarHBondContact O-N 2.94Å
856M89.1Confident88.4Confident0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-70.4-37.8179.3-72.4-174.880.100112A671 L672 A675 I844 A851 S853 M859 V860A671-M856 HydrophobicContact CB-CG 4.47Å; A671-M856 WeakPolarHBondContact O-CG 3.39Å; L672-M856 HydrophobicContact CD2-CE 4.11Å; A675-M856 HydrophobicContact CB-CE 4.01Å; A675-M856 HydrophobicContact CB-SD 3.63Å; I844-M856 HydrophobicContact CG2-CE 4.41Å; A851-M856 HydrophobicContact CB-SD 3.69Å; S853-M856 PolarHBondContact O-N 3.16Å; S853-M856 VanDerWaalsContact OG-CB 3.31Å; S853-M856 WeakPolarHBondContact OG-CB 3.33Å; S853-M856 VanDerWaalsContact OG-CG 3.22Å; S853-M856 WeakPolarHBondContact OG-CG 3.47Å; S853-M856 PolarHBondContact OG-N 2.68Å; M856-M859 PolarHBondContact O-N 3.47Å; M856-V860 WeakPolarHBondContact O-CG2 3.42Å; M856-V860 PolarHBondContact O-N 3.2Å
857D90.6Very high87.5Confident64 Ų6458.5 Ų58.534%0.34231%0.305SS..Hα-helixtrans-66.3-43.7177.1-72.5-21.5000111.2S853 V860 Q861S853-D857 PolarHBondContact O-N 3.44Å; D857-V860 PolarHBondContact O-N 3.45Å; D857-Q861 WeakPolarHBondContact O-CB 3.38Å; D857-Q861 VanDerWaalsContact O-CG 3.3Å; D857-Q861 WeakPolarHBondContact O-CG 3.38Å; D857-Q861 PolarHBondContact O-N 2.93Å
858D91.4Very high87.4Confident65 Ų6561 Ų6135%0.34832%0.317SS..Hα-helixtrans-61.6-43.5174.4-178.874.9000111.8Y626 R633 S854 V860 Q861 Y862Y626-D858 HydrophobicContact CE1-CB 4.15Å; Y626-D858 WeakPolarHBondContact CE1-OD2 3.4Å; Y626-D858 PolarHBondContact OH-OD2 3.33Å; R633-D858 IonicContact NH2-OD2 3.38Å; S854-D858 VanDerWaalsContact O-CB 3.23Å; S854-D858 WeakPolarHBondContact O-CB 3.4Å; S854-D858 PolarHBondContact O-N 2.94Å; D858-V860 PolarHBondContact O-N 3.29Å; D858-Q861 PolarHBondContact O-N 2.93Å; D858-Y862 VanDerWaalsContact O-CB 3.25Å; D858-Y862 WeakPolarHBondContact O-CB 3.27Å; D858-Y862 PolarHBondContact O-N 3.45Å
859M93.1Very high87.4Confident0 Ų063.9 Ų63.90%033%0.332CS..Hα-helixtrans-59.1-47.9176.1178.9-167.667.800111.9Y626 N668 A671 L672 L817 I844 A855 M856 Y862 I863Y626-M859 HydrophobicContact CE2-CB 4.49Å; Y626-M859 PolarHBondContact OH-N 3.43Å; N668-M859 HydrophobicContact CB-SD 3.79Å; N668-M859 VanDerWaalsContact OD1-CG 3.31Å; N668-M859 WeakPolarHBondContact OD1-CG 3.28Å; A671-M859 HydrophobicContact CB-CB 4.15Å; A671-M859 HydrophobicContact CB-CE 4.48Å; A671-M859 HydrophobicContact CB-CG 4.44Å; A671-M859 HydrophobicContact CB-SD 3.72Å; L672-M859 HydrophobicContact CD2-CE 4.02Å; L817-M859 HydrophobicContact CD1-CE 4.33Å; L817-M859 HydrophobicContact CD1-SD 4.36Å; I844-M859 HydrophobicContact CG2-CE 3.46Å; I844-M859 VanDerWaalsContact CG2-CE 3.46Å; A855-M859 WeakPolarHBondContact O-CB 3.26Å; A855-M859 PolarHBondContact O-N 2.94Å; M856-M859 PolarHBondContact O-N 3.47Å; M859-Y862 PolarHBondContact O-N 3.46Å; M859-I863 HydrophobicContact CG-CD1 4.04Å; M859-I863 WeakPolarHBondContact O-CG1 3.26Å; M859-I863 PolarHBondContact O-N 3.14Å
860V91.7Very high87.4Confident13 Ų1359.1 Ų59.18%0.07931%0.314CS..Hα-helixtrans-63.9-45.3179.2171.30000110.5W841 I844 V845 M856 D857 D858 Y862 I863 E864W841-V860 HydrophobicContact CH2-CG1 4.11Å; W841-V860 HydrophobicContact CZ2-CG1 4.22Å; I844-V860 HydrophobicContact CG2-CG2 4.22Å; V845-V860 HydrophobicContact CG2-CG1 4.22Å; M856-V860 WeakPolarHBondContact O-CG2 3.42Å; M856-V860 PolarHBondContact O-N 3.2Å; D857-V860 PolarHBondContact O-N 3.45Å; D858-V860 PolarHBondContact O-N 3.29Å; V860-Y862 VanDerWaalsContact C-N 3.32Å; V860-Y862 PolarHBondContact O-N 3.27Å; V860-I863 PolarHBondContact O-N 3.36Å; V860-E864 HydrophobicContact CG1-CG 4.49Å; V860-E864 WeakPolarHBondContact O-CB 3.37Å; V860-E864 WeakPolarHBondContact O-CG 3.38Å; V860-E864 PolarHBondContact O-N 3.05Å
861Q90.9Very high87.5Confident116 Ų11655.4 Ų55.454%0.54229%0.289SS..Hα-helixtrans-62.9-39177.4-74.2-179.310.900112.4D857 D858 N865D857-Q861 WeakPolarHBondContact O-CB 3.38Å; D857-Q861 VanDerWaalsContact O-CG 3.3Å; D857-Q861 WeakPolarHBondContact O-CG 3.38Å; D857-Q861 PolarHBondContact O-N 2.93Å; D858-Q861 PolarHBondContact O-N 2.93Å; Q861-N865 WeakPolarHBondContact O-CB 3.28Å; Q861-N865 PolarHBondContact O-N 3.04Å; Q861-N865 VanDerWaalsContact O-N 3.11Å; Q861-N865 PolarHBondContact O-ND2 3.05Å
862Y91.5Very high87.9Confident34 Ų3456.5 Ų56.513%0.13329%0.288CS..Hα-helixtrans-64.4-48.3177.8-175.2-94.1000111.1R633 N634 N637 D858 M859 V860 E864 N865 W866R633-Y862 HydrophobicContact CG-CE1 4.03Å; R633-Y862 VanDerWaalsContact NE-CZ 3.3Å; R633-Y862 VanDerWaalsContact NH2-CD2 3.32Å; N634-Y862 WeakPolarHBondContact OD1-CE2 3.39Å; N637-Y862 PolarHBondContact ND2-OH 2.95Å; D858-Y862 VanDerWaalsContact O-CB 3.25Å; D858-Y862 WeakPolarHBondContact O-CB 3.27Å; D858-Y862 PolarHBondContact O-N 3.45Å; M859-Y862 PolarHBondContact O-N 3.46Å; V860-Y862 VanDerWaalsContact C-N 3.32Å; V860-Y862 PolarHBondContact O-N 3.27Å; Y862-E864 VanDerWaalsContact C-N 3.34Å; Y862-E864 PolarHBondContact O-N 2.91Å; Y862-N865 CarbonylContact O-C 3.55Å; Y862-N865 PolarHBondContact O-N 3.26Å; Y862-W866 AromaticContact CD1-CE3 3.84Å; Y862-W866 HydrophobicContact CD1-CE3 3.84Å; Y862-W866 HydrophobicContact CD1-CZ3 4.22Å; Y862-W866 AromaticContact CE1-CD2 3.85Å; Y862-W866 HydrophobicContact CE1-CD2 3.85Å; Y862-W866 AromaticContact CE1-CE3 3.26Å; Y862-W866 HydrophobicContact CE1-CE3 3.26Å; Y862-W866 HydrophobicContact CE1-CH2 4.19Å; Y862-W866 AromaticContact CE1-CZ3 3.47Å; Y862-W866 HydrophobicContact CE1-CZ3 3.47Å; Y862-W866 VanDerWaalsContact CE1-CZ3 3.47Å; Y862-W866 PolarHBondContact O-N 2.92Å
863I90.5Very high88.3Confident2 Ų246 Ų461%0.0125%0.253CS..Hα-helixtrans-64.3-38.6179.1-65.2168.4000111.3I816 L817 F829 W841 M859 V860 N865I816-I863 HydrophobicContact CG1-CG2 4.4Å; I816-I863 HydrophobicContact CG2-CG2 3.79Å; L817-I863 HydrophobicContact CD1-CD1 4.18Å; F829-I863 HydrophobicContact CE1-CG2 3.99Å; F829-I863 HydrophobicContact CE2-CG2 4.16Å; F829-I863 HydrophobicContact CZ-CG2 3.69Å; W841-I863 HydrophobicContact CE3-CG2 4.44Å; W841-I863 HydrophobicContact CH2-CB 3.89Å; W841-I863 HydrophobicContact CH2-CG2 3.7Å; W841-I863 HydrophobicContact CZ3-CB 3.89Å; W841-I863 HydrophobicContact CZ3-CD1 3.95Å; W841-I863 HydrophobicContact CZ3-CG2 3.49Å; W841-I863 VanDerWaalsContact CZ3-CG2 3.49Å; M859-I863 HydrophobicContact CG-CD1 4.04Å; M859-I863 WeakPolarHBondContact O-CG1 3.26Å; M859-I863 PolarHBondContact O-N 3.14Å; V860-I863 PolarHBondContact O-N 3.36Å; I863-N865 VanDerWaalsContact C-N 3.29Å; I863-N865 PolarHBondContact O-N 2.89Å
864E88.6Confident88.6Confident88 Ų8848.2 Ų48.241%0.41126%0.264SS..Hα-helixtrans-66.3-30.1177.2-74.8-174.4155.600113.5F829 W841 V860 Y862F829-E864 HydrophobicContact CE1-CG 4.34Å; W841-E864 HydrophobicContact CH2-CG 4.04Å; W841-E864 HydrophobicContact CZ2-CG 3.73Å; V860-E864 HydrophobicContact CG1-CG 4.49Å; V860-E864 WeakPolarHBondContact O-CB 3.37Å; V860-E864 WeakPolarHBondContact O-CG 3.38Å; V860-E864 PolarHBondContact O-N 3.05Å; Y862-E864 VanDerWaalsContact C-N 3.34Å; Y862-E864 PolarHBondContact O-N 2.91Å
865N87.2Confident88.5Confident113 Ų11346.2 Ų46.260%0.60424%0.244SC*.Hα-helixtrans-1032.9-177.9-64.8-47.9000113.9Q861 Y862 I863 S867Q861-N865 WeakPolarHBondContact O-CB 3.28Å; Q861-N865 PolarHBondContact O-N 3.04Å; Q861-N865 VanDerWaalsContact O-N 3.11Å; Q861-N865 PolarHBondContact O-ND2 3.05Å; Y862-N865 CarbonylContact O-C 3.55Å; Y862-N865 PolarHBondContact O-N 3.26Å; I863-N865 VanDerWaalsContact C-N 3.29Å; I863-N865 PolarHBondContact O-N 2.89Å; N865-S867 PolarHBondContact O-N 3.32Å
866W84.4Confident88.4Confident12 Ų1250 Ų505%0.04526%0.264CS..  trans-59.2127.9177.9-162.2-46.8000109.1N637 L660 H664 I816 F834 Y862N637-W866 PolarHBondContact OD1-NE1 3.39Å; L660-W866 HydrophobicContact CD1-CH2 4.21Å; L660-W866 HydrophobicContact CD1-CZ2 4.27Å; L660-W866 HydrophobicContact CD2-CZ2 4.01Å; L660-W866 HydrophobicContact CG-CH2 4.33Å; L660-W866 HydrophobicContact CG-CZ2 4.22Å; H664-W866 HydrophobicContact CB-CH2 4.18Å; H664-W866 HydrophobicContact CB-CZ3 4.29Å; H664-W866 AromaticContact CD2-CZ3 3.69Å; H664-W866 AromaticContact CE1-CZ3 3.56Å; H664-W866 AromaticContact CG-CH2 3.93Å; H664-W866 AromaticContact CG-CZ3 3.56Å; H664-W866 AromaticContact ND1-CZ3 3.52Å; H664-W866 AromaticContact NE2-CZ3 3.65Å; I816-W866 HydrophobicContact CD1-CE3 4.02Å; I816-W866 HydrophobicContact CD1-CH2 4.3Å; I816-W866 HydrophobicContact CD1-CZ3 3.83Å; I816-W866 HydrophobicContact CG1-CE3 4.31Å; I816-W866 HydrophobicContact CG1-CZ3 4.46Å; F834-W866 AromaticContact CE2-NE1 3.92Å; Y862-W866 AromaticContact CD1-CE3 3.84Å; Y862-W866 HydrophobicContact CD1-CE3 3.84Å; Y862-W866 HydrophobicContact CD1-CZ3 4.22Å; Y862-W866 AromaticContact CE1-CD2 3.85Å; Y862-W866 HydrophobicContact CE1-CD2 3.85Å; Y862-W866 AromaticContact CE1-CE3 3.26Å; Y862-W866 HydrophobicContact CE1-CE3 3.26Å; Y862-W866 HydrophobicContact CE1-CH2 4.19Å; Y862-W866 AromaticContact CE1-CZ3 3.47Å; Y862-W866 HydrophobicContact CE1-CZ3 3.47Å; Y862-W866 VanDerWaalsContact CE1-CZ3 3.47Å; Y862-W866 PolarHBondContact O-N 2.92Å
867S71.5Confident88.3Confident93 Ų9354.5 Ų54.565%0.6529%0.288SS*.  trans-120.60172.646.30000111.3K641 N865K641-S867 WeakPolarHBondContact CE-O 3.36Å; K641-S867 PolarHBondContact NZ-O 3.08Å; K641-S867 PolarHBondContact NZ-OG 3.06Å; K641-S867 VanDerWaalsContact NZ-OG 3.08Å; N865-S867 PolarHBondContact O-N 3.32Å

Retrieved 867 of 867 residues in 1370.7 ms (Link to these results)

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