A0A077Z8K2_TRITR Loading...

Protein SHQ1 homolog

AlphaFold DB , UniProt , Accession A0A077Z8K2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 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
1M48.1Very low74.8Confident229 Ų22971.2 Ų71.2100%1.12836%0.363SS*.  0129.60-87.4169.715000107.7M3M1-M3 PolarHBondContact O-N 3.37Å
2A54Low76.2Confident72 Ų7268.3 Ų68.360%0.59535%0.346SS*.PPolyproline II helixtrans-67.2125.317200000108.4
3M68.1Low77.3Confident106 Ų10668 Ų6852%0.52235%0.346SS..PPolyproline II helixtrans-98.3135.3173.5-64.7-173.9-175.800109.1M1 Y43 P46 F48M1-M3 PolarHBondContact O-N 3.37Å; M3-Y43 HydrophobicContact CE-CE2 3.72Å; M3-Y43 HydrophobicContact SD-CE2 4.06Å; M3-P46 CarbonylContact C-O 3.59Å; M3-P46 VanDerWaalsContact CA-O 3.29Å; M3-P46 WeakPolarHBondContact CA-O 3.4Å; M3-F48 HydrophobicContact CB-CB 3.92Å; M3-F48 HydrophobicContact CG-CB 4.42Å; M3-F48 HydrophobicContact SD-CB 3.8Å; M3-F48 HydrophobicContact SD-CD2 4.38Å; M3-F48 HydrophobicContact SD-CG 4.15Å
4Y69.7Low78.2Confident141 Ų14173.9 Ų73.955%0.55337%0.372SS*.BIsolated β-bridgetrans-103.7141.5-176.7-62.1-77.3000111.3P6 P46 Y47 F48Y4-P6 WeakPolarHBondContact O-CD 3.24Å; Y4-P46 HydrophobicContact CD2-CB 3.95Å; Y4-P46 HydrophobicContact CD2-CG 4.08Å; Y4-P46 HydrophobicContact CE2-CB 4.36Å; Y4-P46 PolarHBondContact N-O 2.87Å; Y4-Y47 CarbonylContact O-C 3.55Å; Y4-Y47 WeakPolarHBondContact O-CA 3.24Å; Y4-F48 PolarHBondContact O-N 3.39Å
5T75.4Confident78.9Confident51 Ų5177.8 Ų77.831%0.31339%0.386SS..  trans-80.8113.8171.3-54.70000109.4F48 L49 K260T5-F48 WeakPolarHBondContact CA-O 3.41Å; T5-L49 HydrophobicContact CG2-CD1 3.71Å; T5-K260 WeakPolarHBondContact O-CE 3.38Å; T5-K260 PolarHBondContact O-NZ 3.24Å
6P78Confident79.6Confident2 Ų275.1 Ų75.11%0.01337%0.373CS..  trans-69.1158.7-178.630.6-35000111.5Y4 F8 V21 A23 F42 Y47 L49 K260Y4-P6 WeakPolarHBondContact O-CD 3.24Å; P6-F8 WeakPolarHBondContact O-CD1 3.44Å; P6-V21 HydrophobicContact CB-CG1 3.46Å; P6-V21 VanDerWaalsContact CB-CG1 3.46Å; P6-V21 HydrophobicContact CG-CG1 3.31Å; P6-A23 HydrophobicContact CB-CB 4.38Å; P6-F42 HydrophobicContact CG-CD1 4.3Å; P6-F42 HydrophobicContact CG-CE1 4.3Å; P6-Y47 HydrophobicContact CB-CD1 3.65Å; P6-Y47 HydrophobicContact CB-CE1 4.28Å; P6-Y47 HydrophobicContact CB-CG 4.04Å; P6-Y47 HydrophobicContact CG-CD1 4.37Å; P6-L49 HydrophobicContact CG-CB 4.08Å; P6-L49 HydrophobicContact CG-CD2 4.48Å; P6-K260 WeakPolarHBondContact O-CE 3.41Å; P6-K260 PolarHBondContact O-NZ 2.77Å
7V76.5Confident80.3Confident12 Ų1270.7 Ų70.77%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-68.9131.8173.1173.80000108.1W9 V21 K22 I253 I256 E257 K260V7-W9 HydrophobicContact CG1-CZ3 4.42Å; V7-V21 CarbonylContact O-C 3.57Å; V7-K22 HydrophobicContact CB-CB 4.24Å; V7-K22 PolarHBondContact N-O 3.09Å; V7-K22 PolarHBondContact O-N 3.39Å; V7-I253 HydrophobicContact CG1-CG2 4.44Å; V7-I256 HydrophobicContact CG1-CB 4.35Å; V7-I256 HydrophobicContact CG1-CG2 3.69Å; V7-E257 HydrophobicContact CG2-CG 3.6Å; V7-K260 VanDerWaalsContact N-NZ 3.14Å
8F87.5Confident80.9Confident0 Ų067.6 Ų67.60%034%0.336CS..EExtended strand (participates in β ladder)trans-145.2156.2-175.672.3-85000111.8P6 V10 R20 V21 L49 L51 L93 L97 I256 K260P6-F8 WeakPolarHBondContact O-CD1 3.44Å; F8-V10 HydrophobicContact CD2-CG2 4.13Å; F8-V10 HydrophobicContact CE2-CG2 4.34Å; F8-R20 CarbonylContact C-O 3.38Å; F8-R20 WeakPolarHBondContact CA-O 3.41Å; F8-R20 WeakPolarHBondContact CB-O 3.11Å; F8-V21 HydrophobicContact CB-CG2 4.26Å; F8-L49 HydrophobicContact CB-CD2 3.8Å; F8-L49 HydrophobicContact CD1-CD1 3.64Å; F8-L49 HydrophobicContact CD1-CD2 3.84Å; F8-L49 HydrophobicContact CD1-CG 4.42Å; F8-L49 HydrophobicContact CD2-CD2 4.17Å; F8-L49 HydrophobicContact CE1-CD1 3.59Å; F8-L49 HydrophobicContact CG-CD1 4.25Å; F8-L49 HydrophobicContact CG-CD2 3.66Å; F8-L49 HydrophobicContact CZ-CD1 4.16Å; F8-L51 HydrophobicContact CD2-CD1 4.13Å; F8-L51 HydrophobicContact CD2-CD2 4.26Å; F8-L51 HydrophobicContact CE1-CD2 4.4Å; F8-L51 HydrophobicContact CE2-CD1 4.03Å; F8-L51 HydrophobicContact CE2-CD2 3.51Å; F8-L51 HydrophobicContact CE2-CG 4.43Å; F8-L51 HydrophobicContact CZ-CD2 3.61Å; F8-L93 HydrophobicContact CD2-CD2 4.3Å; F8-L93 HydrophobicContact CE2-CB 4.42Å; F8-L93 HydrophobicContact CE2-CD2 3.73Å; F8-L93 HydrophobicContact CZ-CB 4.16Å; F8-L93 HydrophobicContact CZ-CD2 4.29Å; F8-L97 HydrophobicContact CE1-CD1 4.31Å; F8-L97 HydrophobicContact CE1-CD2 4.13Å; F8-L97 HydrophobicContact CE1-CG 4.45Å; F8-L97 HydrophobicContact CZ-CD1 4.19Å; F8-L97 HydrophobicContact CZ-CD2 4.03Å; F8-L97 HydrophobicContact CZ-CG 4.05Å; F8-I256 VanDerWaalsContact O-CG2 3.3Å; F8-I256 WeakPolarHBondContact O-CG2 3.43Å; F8-K260 HydrophobicContact CD1-CD 4.15Å; F8-K260 HydrophobicContact CD1-CG 4.42Å; F8-K260 HydrophobicContact CE1-CD 4.17Å; F8-K260 HydrophobicContact CE1-CG 3.94Å
9W87.4Confident81.4Confident79 Ų7964.1 Ų64.130%0.29932%0.318SS..EExtended strand (participates in β ladder)trans-142.2153.9167.755.599.4000108.9V7 R20 K22 V73 I256V7-W9 HydrophobicContact CG1-CZ3 4.42Å; W9-R20 HydrophobicContact CD2-CB 3.84Å; W9-R20 HydrophobicContact CG-CB 4.2Å; W9-R20 HydrophobicContact CH2-CB 4.28Å; W9-R20 HydrophobicContact CZ2-CB 3.57Å; W9-R20 HydrophobicContact CZ2-CG 4.27Å; W9-R20 PolarHBondContact N-O 2.9Å; W9-R20 VanDerWaalsContact NE1-CD 3.26Å; W9-R20 PolarHBondContact O-N 2.79Å; W9-K22 HydrophobicContact CZ3-CB 4.26Å; W9-V73 HydrophobicContact CH2-CG1 4.13Å; W9-V73 HydrophobicContact CH2-CG2 4.07Å; W9-V73 HydrophobicContact CZ2-CG1 4.21Å; W9-I256 HydrophobicContact CB-CD1 4.26Å; W9-I256 HydrophobicContact CE3-CD1 4.23Å
10V88.8Confident81.9Confident8 Ų865 Ų655%0.04832%0.318CS..EExtended strand (participates in β ladder)trans-123.4125.3-175.6-171.70000108F8 L17 V19 L51 L90 L96F8-V10 HydrophobicContact CD2-CG2 4.13Å; F8-V10 HydrophobicContact CE2-CG2 4.34Å; V10-L17 HydrophobicContact CG1-CD1 3.62Å; V10-L17 HydrophobicContact CG1-CD2 4.18Å; V10-L17 HydrophobicContact CG1-CG 3.9Å; V10-V19 HydrophobicContact CG1-CG2 4.23Å; V10-V19 HydrophobicContact CG2-CG1 4.36Å; V10-V19 HydrophobicContact CG2-CG2 4.41Å; V10-L51 HydrophobicContact CG2-CD1 3.86Å; V10-L90 HydrophobicContact CB-CB 4.42Å; V10-L90 HydrophobicContact CG1-CB 4.44Å; V10-L90 HydrophobicContact CG1-CD1 4.2Å; V10-L90 HydrophobicContact CG1-CD2 3.99Å; V10-L90 HydrophobicContact CG1-CG 4.44Å; V10-L96 HydrophobicContact CB-CD1 4.27Å; V10-L96 HydrophobicContact CG2-CD1 3.84Å
11D88.9Confident82.1Confident83 Ų8361.9 Ų61.944%0.44430%0.303SS..EExtended strand (participates in β ladder)trans-124.2171.7177.7-162.4-0.7000108.8I18D11-I18 HydrophobicContact CB-CB 4.31Å; D11-I18 PolarHBondContact N-O 3.4Å; D11-I18 PolarHBondContact O-N 2.81Å
12Q91.7Very high83.7Confident36 Ų3653.9 Ų53.917%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-149.6149.2178.168.4-174.1-54.200111.8D16 L17 H86 F87 L90Q12-D16 WeakPolarHBondContact CA-O 3.4Å; Q12-L17 HydrophobicContact CB-CD1 4.23Å; Q12-H86 PolarHBondContact NE2-NE2 3.32Å; Q12-F87 PolarHBondContact NE2-O 2.71Å; Q12-L90 HydrophobicContact CB-CD1 3.82Å; Q12-L90 HydrophobicContact CG-CD1 3.83Å
13D90.3Very high84.8Confident65 Ų6550.4 Ų50.435%0.34823%0.233SC..  trans-113.3-17016265.145.5000110K15 D16 K80D13-K15 PolarHBondContact O-N 2.84Å; D13-K15 WeakPolarHBondContact OD1-CA 3.44Å; D13-K15 PolarHBondContact OD1-N 2.77Å; D13-D16 PolarHBondContact N-O 2.76Å; D13-D16 PolarHBondContact OD1-N 2.72Å; D13-K80 WeakPolarHBondContact O-CE 3.45Å; D13-K80 PolarHBondContact O-NZ 2.66Å
14E89.8Confident85.1Confident150 Ų15049.8 Ų49.870%0.70123%0.231SC*.SBendtrans-63.7-26.3179.6-67.7-176.2171.400113.1G84E14-G84 PolarHBondContact O-N 2.92Å
15K89.2Confident85.5Confident133 Ų13351.8 Ų51.858%0.57824%0.239SC*.SBendtrans-109.3-41.2-171.1-63.4-178.3-180-178.70112.6D13 K80 V83D13-K15 PolarHBondContact O-N 2.84Å; D13-K15 WeakPolarHBondContact OD1-CA 3.44Å; D13-K15 PolarHBondContact OD1-N 2.77Å; K15-K80 WeakPolarHBondContact O-CB 3.35Å; K15-K80 WeakPolarHBondContact O-CG 3.45Å; K15-K80 PolarHBondContact O-N 3.31Å; K15-V83 HydrophobicContact CG-CG1 3.93Å
16D89.8Confident85.5Confident35 Ų3550 Ų5019%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-123145.4-167.1-60.8-31.3000111.6Q12 D13 A78 P79Q12-D16 WeakPolarHBondContact CA-O 3.4Å; D13-D16 PolarHBondContact N-O 2.76Å; D13-D16 PolarHBondContact OD1-N 2.72Å; D16-A78 CarbonylContact C-O 3.57Å; D16-A78 WeakPolarHBondContact CA-O 3.32Å; D16-P79 WeakPolarHBondContact OD1-CA 3.26Å
17L91.3Very high85.8Confident0 Ų057.5 Ų57.50%026%0.257CS..EExtended strand (participates in β ladder)trans-88.1131.2160.2-172.178000108.4V10 Q12 V19 L53 V57 R77 A78 F87 L90V10-L17 HydrophobicContact CG1-CD1 3.62Å; V10-L17 HydrophobicContact CG1-CD2 4.18Å; V10-L17 HydrophobicContact CG1-CG 3.9Å; Q12-L17 HydrophobicContact CB-CD1 4.23Å; L17-V19 HydrophobicContact CD2-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 4.49Å; L17-L53 HydrophobicContact CD2-CD1 3.7Å; L17-L53 HydrophobicContact CD2-CD2 3.55Å; L17-L53 HydrophobicContact CD2-CG 4.24Å; L17-V57 HydrophobicContact CB-CG1 4.43Å; L17-V57 HydrophobicContact CD2-CG1 4.32Å; L17-R77 CarbonylContact O-C 3.47Å; L17-R77 WeakPolarHBondContact O-CA 3.46Å; L17-A78 HydrophobicContact CB-CB 4.28Å; L17-A78 PolarHBondContact N-O 3.33Å; L17-A78 PolarHBondContact O-N 2.81Å; L17-F87 HydrophobicContact CD1-CD2 3.96Å; L17-F87 HydrophobicContact CD1-CE2 4.5Å; L17-L90 HydrophobicContact CD1-CD1 3.68Å; L17-L90 HydrophobicContact CD1-CD2 3.96Å; L17-L90 HydrophobicContact CD1-CG 4.5Å
18I91.9Very high86.1Confident15 Ų1559.6 Ų59.68%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-113.3102.8-176-54.2170.9000108.4D11 R20 T75 I76D11-I18 HydrophobicContact CB-CB 4.31Å; D11-I18 PolarHBondContact N-O 3.4Å; D11-I18 PolarHBondContact O-N 2.81Å; I18-R20 HydrophobicContact CG2-CG 4.16Å; I18-T75 HydrophobicContact CG2-CG2 3.87Å; I18-I76 CarbonylContact C-O 3.59Å; I18-I76 WeakPolarHBondContact CA-O 3.47Å
19V90.6Very high86Confident0 Ų065.4 Ų65.40%031%0.312CS..EExtended strand (participates in β ladder)trans-95.6123.3174.7-173.30000109V10 L17 V21 F40 L51 I76V10-V19 HydrophobicContact CG1-CG2 4.23Å; V10-V19 HydrophobicContact CG2-CG1 4.36Å; V10-V19 HydrophobicContact CG2-CG2 4.41Å; L17-V19 HydrophobicContact CD2-CG2 4.21Å; L17-V19 HydrophobicContact CG-CG2 4.49Å; V19-V21 HydrophobicContact CG1-CG2 4.01Å; V19-F40 HydrophobicContact CB-CE1 4.2Å; V19-F40 HydrophobicContact CB-CZ 4.05Å; V19-F40 HydrophobicContact CG1-CD1 4.37Å; V19-F40 HydrophobicContact CG1-CE1 3.64Å; V19-F40 HydrophobicContact CG1-CZ 3.89Å; V19-F40 HydrophobicContact CG2-CD1 4.4Å; V19-F40 HydrophobicContact CG2-CE1 4.26Å; V19-F40 HydrophobicContact CG2-CZ 4.27Å; V19-L51 HydrophobicContact CG1-CD1 4.24Å; V19-I76 HydrophobicContact CB-CB 4.44Å; V19-I76 PolarHBondContact N-O 2.73Å; V19-I76 WeakPolarHBondContact O-CD1 3.4Å; V19-I76 PolarHBondContact O-N 2.74Å
20R90.2Very high86Confident83 Ų8365.4 Ų65.431%0.31332%0.315SS..EExtended strand (participates in β ladder)trans-111.2128.5176.6-53.5-154.2-161.5-136.53.8109.9F8 W9 I18 V73 F74 T75F8-R20 CarbonylContact C-O 3.38Å; F8-R20 WeakPolarHBondContact CA-O 3.41Å; F8-R20 WeakPolarHBondContact CB-O 3.11Å; W9-R20 HydrophobicContact CD2-CB 3.84Å; W9-R20 HydrophobicContact CG-CB 4.2Å; W9-R20 HydrophobicContact CH2-CB 4.28Å; W9-R20 HydrophobicContact CZ2-CB 3.57Å; W9-R20 HydrophobicContact CZ2-CG 4.27Å; W9-R20 PolarHBondContact N-O 2.9Å; W9-R20 VanDerWaalsContact NE1-CD 3.26Å; W9-R20 PolarHBondContact O-N 2.79Å; I18-R20 HydrophobicContact CG2-CG 4.16Å; R20-V73 HydrophobicContact CB-CG1 4.1Å; R20-F74 CarbonylContact C-O 3.52Å; R20-F74 VanDerWaalsContact CA-O 3.29Å; R20-F74 WeakPolarHBondContact CA-O 3.25Å; R20-T75 HydrophobicContact CG-CG2 4.43Å
21V86.3Confident85.9Confident0 Ų067.1 Ų67.10%033%0.326CS..EExtended strand (participates in β ladder)trans-125.8115-174.7-176.30000109.4P6 V7 F8 V19 A23 F42 L49 V73 F74 I76P6-V21 HydrophobicContact CB-CG1 3.46Å; P6-V21 VanDerWaalsContact CB-CG1 3.46Å; P6-V21 HydrophobicContact CG-CG1 3.31Å; V7-V21 CarbonylContact O-C 3.57Å; F8-V21 HydrophobicContact CB-CG2 4.26Å; V19-V21 HydrophobicContact CG1-CG2 4.01Å; V21-A23 HydrophobicContact CG1-CB 4.48Å; V21-F42 HydrophobicContact CB-CE2 4.43Å; V21-F42 HydrophobicContact CB-CZ 4.4Å; V21-F42 HydrophobicContact CG1-CD1 4.06Å; V21-F42 HydrophobicContact CG1-CE1 3.75Å; V21-F42 HydrophobicContact CG1-CE2 4.43Å; V21-F42 HydrophobicContact CG1-CZ 3.95Å; V21-F42 HydrophobicContact CG2-CD2 4.38Å; V21-F42 HydrophobicContact CG2-CG 4.37Å; V21-L49 HydrophobicContact CG2-CD2 4.05Å; V21-V73 CarbonylContact O-C 3.46Å; V21-V73 WeakPolarHBondContact O-CA 3.46Å; V21-F74 HydrophobicContact CB-CB 4.41Å; V21-F74 PolarHBondContact N-O 3.37Å; V21-F74 PolarHBondContact O-N 3.21Å; V21-I76 HydrophobicContact CB-CD1 4.36Å; V21-I76 HydrophobicContact CG2-CD1 3.87Å
22K82.4Confident85.9Confident60 Ų6068 Ų6826%0.26133%0.331SS..EExtended strand (participates in β ladder)trans-88.9116.7174-172.2178.7-176.9-178.80109.7V7 W9 N72 V73V7-K22 HydrophobicContact CB-CB 4.24Å; V7-K22 PolarHBondContact N-O 3.09Å; V7-K22 PolarHBondContact O-N 3.39Å; W9-K22 HydrophobicContact CZ3-CB 4.26Å; K22-N72 WeakPolarHBondContact CA-O 3.32Å; K22-V73 HydrophobicContact CB-CG2 4.12Å; K22-V73 HydrophobicContact CG-CG2 4.16Å
23A76.9Confident85.8Confident0 Ų067.5 Ų67.50%033%0.33CS..  trans-141.988.7-171.700000110.8P6 V21 Y25 A26 Y47 N72 F74P6-A23 HydrophobicContact CB-CB 4.38Å; V21-A23 HydrophobicContact CG1-CB 4.48Å; A23-Y25 PolarHBondContact O-N 2.03Å; A23-A26 HydrophobicContact CB-CB 3.61Å; A23-A26 WeakPolarHBondContact O-CB 2.92Å; A23-A26 PolarHBondContact O-N 3.13Å; A23-Y47 HydrophobicContact CB-CD2 3.68Å; A23-Y47 HydrophobicContact CB-CE2 3.7Å; A23-Y47 HydrophobicContact CB-CG 4.17Å; A23-N72 PolarHBondContact N-O 3.45Å; A23-F74 HydrophobicContact CB-CD2 4.19Å; A23-F74 HydrophobicContact CB-CE2 4.03Å
24L74.4Confident85.7Confident92 Ų9269.8 Ų69.848%0.48234%0.337SS..THydrogen-bonded Turntrans-63.3-33.4-170.2-69.2166.2000114.7Y47 N72L24-Y47 PolarHBondContact N-OH 3.29Å; L24-N72 HydrophobicContact CD2-CB 4.08Å
25Y77.4Confident85.5Confident184 Ų18463.3 Ų63.372%0.72231%0.306SS*.THydrogen-bonded Turntrans-105.89.4-176.6-54.7-63.8000113.4A23 Y47A23-Y25 PolarHBondContact O-N 2.03Å; Y25-Y47 WeakPolarHBondContact CD2-OH 3.48Å; Y25-Y47 PolarHBondContact N-OH 2.99Å
26A75.6Confident85.2Confident12 Ų1258.9 Ų58.910%0.09929%0.294CS..  trans-79.1140.1-17700000110.2A23 P28 C44 Y47 F74A23-A26 HydrophobicContact CB-CB 3.61Å; A23-A26 WeakPolarHBondContact O-CB 2.92Å; A23-A26 PolarHBondContact O-N 3.13Å; A26-P28 WeakPolarHBondContact O-CD 3.37Å; A26-C44 HydrophobicContact CB-CB 4.35Å; A26-Y47 HydrophobicContact CB-CD2 3.88Å; A26-Y47 HydrophobicContact CB-CE2 4.02Å; A26-F74 HydrophobicContact CB-CE2 3.8Å; A26-F74 HydrophobicContact CB-CZ 4.12Å
27R83.7Confident84.9Confident160 Ų16062.8 Ų62.860%0.60431%0.311SS*.  trans-91.8116.7171.1-71.3173.2180176.91.1108.6S29 E30 C44R27-S29 PolarHBondContact O-N 2.84Å; R27-E30 HydrophobicContact CB-CB 4.36Å; R27-E30 HydrophobicContact CB-CG 4.15Å; R27-E30 WeakPolarHBondContact CD-OE1 3.23Å; R27-E30 IonicContact CZ-OE1 3.66Å; R27-E30 IonicContact NE-OE1 3.49Å; R27-E30 IonicContact NH1-OE1 3.89Å; R27-E30 PolarHBondContact NH1-OE1 2.79Å; R27-E30 PolarHBondContact O-N 3.42Å; R27-C44 PolarHBondContact O-SG 2.69Å
28P83Confident84.8Confident57 Ų5765.6 Ų65.637%0.3733%0.329SS..G310 helixtrans-56.8-26.4-178.2-26.435.3000114.2A26 E30 V31 F67 F74A26-P28 WeakPolarHBondContact O-CD 3.37Å; P28-E30 VanDerWaalsContact C-N 3.26Å; P28-E30 PolarHBondContact O-N 3.07Å; P28-V31 VanDerWaalsContact O-CG1 3.24Å; P28-V31 WeakPolarHBondContact O-CG1 3.39Å; P28-F67 HydrophobicContact CB-CB 4.45Å; P28-F67 HydrophobicContact CB-CD1 4.01Å; P28-F67 HydrophobicContact CB-CE1 4.43Å; P28-F67 HydrophobicContact CB-CG 4.13Å; P28-F67 HydrophobicContact CG-CD1 3.44Å; P28-F67 VanDerWaalsContact CG-CD1 3.44Å; P28-F67 HydrophobicContact CG-CD2 4.2Å; P28-F67 HydrophobicContact CG-CE1 3.39Å; P28-F67 HydrophobicContact CG-CE2 4.16Å; P28-F67 HydrophobicContact CG-CG 3.85Å; P28-F67 HydrophobicContact CG-CZ 3.77Å; P28-F74 HydrophobicContact CB-CE1 4.12Å; P28-F74 HydrophobicContact CB-CZ 4.26Å; P28-F74 HydrophobicContact CG-CE1 4.49Å; P28-F74 HydrophobicContact CG-CZ 4.19Å
29S86.2Confident84.6Confident122 Ų12267.7 Ų67.785%0.85334%0.338SS*.G310 helixtrans-70.6-16.7176.5-50.40000114.6R27R27-S29 PolarHBondContact O-N 2.84Å
30E86.5Confident84.5Confident79 Ų7967.7 Ų67.737%0.36934%0.338SS..G310 helixtrans-108.617.6-177.6-60.6178.1-160.800111.4R27 P28R27-E30 HydrophobicContact CB-CB 4.36Å; R27-E30 HydrophobicContact CB-CG 4.15Å; R27-E30 WeakPolarHBondContact CD-OE1 3.23Å; R27-E30 IonicContact CZ-OE1 3.66Å; R27-E30 IonicContact NE-OE1 3.49Å; R27-E30 IonicContact NH1-OE1 3.89Å; R27-E30 PolarHBondContact NH1-OE1 2.79Å; R27-E30 PolarHBondContact O-N 3.42Å; P28-E30 VanDerWaalsContact C-N 3.26Å; P28-E30 PolarHBondContact O-N 3.07Å
31V88Confident84.5Confident43 Ų4366.1 Ų66.126%0.26134%0.336SS..  trans-77.5131.6177.873.10000110.6P28 V33 F42 C44 V65 F74P28-V31 VanDerWaalsContact O-CG1 3.24Å; P28-V31 WeakPolarHBondContact O-CG1 3.39Å; V31-V33 HydrophobicContact CG2-CG2 4.22Å; V31-F42 HydrophobicContact CG2-CD2 4.16Å; V31-F42 HydrophobicContact CG2-CE2 3.56Å; V31-F42 HydrophobicContact CG2-CZ 4.25Å; V31-C44 HydrophobicContact CB-CB 4.43Å; V31-C44 HydrophobicContact CG2-CB 4.32Å; V31-V65 HydrophobicContact CG1-CG1 4.36Å; V31-V65 HydrophobicContact CG2-CG1 4.39Å; V31-F74 HydrophobicContact CB-CE1 4.15Å; V31-F74 HydrophobicContact CG2-CD1 4.14Å; V31-F74 HydrophobicContact CG2-CE1 4.14Å
32D89.2Confident84.6Confident103 Ų10366.1 Ų66.155%0.55134%0.336SS*.EExtended strand (participates in β ladder)trans-132.4133174-164.30.9000108.9Y43D32-Y43 HydrophobicContact CB-CD1 4.32Å; D32-Y43 PolarHBondContact N-O 2.72Å; D32-Y43 PolarHBondContact O-N 2.9Å
33V89.2Confident84.9Confident25 Ų2567.3 Ų67.315%0.15234%0.339CS..EExtended strand (participates in β ladder)trans-134.4130.9-174176.40000108.9V31 F35 F40 L41 F42 V65 I76V31-V33 HydrophobicContact CG2-CG2 4.22Å; V33-F35 HydrophobicContact CG1-CD2 4.24Å; V33-F35 HydrophobicContact CG1-CE2 3.56Å; V33-F35 HydrophobicContact CG1-CZ 3.81Å; V33-F40 HydrophobicContact CG1-CD2 4.28Å; V33-F40 HydrophobicContact CG1-CE2 3.62Å; V33-F40 HydrophobicContact CG1-CZ 4.49Å; V33-L41 WeakPolarHBondContact CA-O 3.26Å; V33-F42 HydrophobicContact CG2-CD2 4.07Å; V33-V65 HydrophobicContact CB-CG2 4.26Å; V33-V65 HydrophobicContact CG2-CG2 3.68Å; V33-I76 HydrophobicContact CG1-CG2 3.89Å; V33-I76 HydrophobicContact CG2-CG1 4.25Å
34F88Confident85.1Confident113 Ų11367.3 Ų67.350%0.49634%0.339SS..EExtended strand (participates in β ladder)trans-131138.6-178.9-168.6-104.6000111.3A36 L41F34-A36 HydrophobicContact CD1-CB 4.2Å; F34-A36 HydrophobicContact CE1-CB 3.66Å; F34-L41 HydrophobicContact CB-CB 3.98Å; F34-L41 PolarHBondContact N-O 3.32Å; F34-L41 PolarHBondContact O-N 3.45Å
35F86Confident85.1Confident14 Ų1464.8 Ų64.86%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-121.2125.2176.3-64.4-77.1000109.6V33 E39 F40 V57 I76 A78V33-F35 HydrophobicContact CG1-CD2 4.24Å; V33-F35 HydrophobicContact CG1-CE2 3.56Å; V33-F35 HydrophobicContact CG1-CZ 3.81Å; F35-E39 WeakPolarHBondContact CA-O 3.42Å; F35-F40 HydrophobicContact CD1-CB 4.43Å; F35-F40 AromaticContact CD1-CD2 3.75Å; F35-F40 HydrophobicContact CD1-CD2 3.75Å; F35-F40 HydrophobicContact CE1-CB 4.45Å; F35-F40 AromaticContact CE1-CD2 3.2Å; F35-F40 HydrophobicContact CE1-CD2 3.2Å; F35-F40 AromaticContact CE1-CE2 3.72Å; F35-F40 HydrophobicContact CE1-CE2 3.72Å; F35-F40 HydrophobicContact CE1-CG 4.21Å; F35-F40 AromaticContact CZ-CD2 3.76Å; F35-F40 HydrophobicContact CZ-CD2 3.76Å; F35-F40 AromaticContact CZ-CE2 3.8Å; F35-F40 HydrophobicContact CZ-CE2 3.8Å; F35-V57 HydrophobicContact CB-CG2 4.26Å; F35-V57 HydrophobicContact CD1-CG2 3.81Å; F35-V57 HydrophobicContact CG-CG2 4.42Å; F35-I76 HydrophobicContact CE2-CG2 4.28Å; F35-I76 HydrophobicContact CZ-CG2 3.67Å; F35-A78 HydrophobicContact CD1-CB 3.76Å; F35-A78 HydrophobicContact CE1-CB 3.12Å; F35-A78 HydrophobicContact CE2-CB 4.21Å; F35-A78 HydrophobicContact CZ-CB 3.39Å
36A82.7Confident85.2Confident39 Ų3958.1 Ų58.132%0.32231%0.308SS..EExtended strand (participates in β ladder)trans-134.189.9177.600000110.8F34 T38 E39F34-A36 HydrophobicContact CD1-CB 4.2Å; F34-A36 HydrophobicContact CE1-CB 3.66Å; A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 PolarHBondContact O-N 2.78Å; A36-E39 HydrophobicContact CB-CB 4.33Å; A36-E39 PolarHBondContact N-O 2.83Å; A36-E39 PolarHBondContact O-N 2.85Å
37E84.2Confident85.4Confident117 Ų11758.7 Ų58.755%0.54731%0.307SS..THydrogen-bonded Turntrans47.9-82.9-177.3-60.9-168.2-16700113.2K56 V57E37-K56 HydrophobicContact CB-CD 4.49Å; E37-K56 HydrophobicContact CB-CG 4.47Å; E37-K56 CarbonylContact O-C 3.6Å; E37-K56 VanDerWaalsContact O-CA 3.23Å; E37-K56 WeakPolarHBondContact O-CA 3.45Å; E37-K56 WeakPolarHBondContact OE2-CE 3.36Å; E37-K56 IonicContact OE2-NZ 2.72Å; E37-K56 PolarHBondContact OE2-NZ 3.16Å; E37-V57 WeakPolarHBondContact O-CG2 3.36Å; E37-V57 PolarHBondContact O-N 3.23Å
38T87.5Confident85.4Confident60 Ų6054.5 Ų54.537%0.36829%0.294SS..THydrogen-bonded Turntrans-104.49.1-179.9580000113.4A36 F52 L53 K56A36-T38 VanDerWaalsContact C-N 3.29Å; A36-T38 PolarHBondContact O-N 2.78Å; T38-F52 CarbonylContact O-C 3.56Å; T38-F52 WeakPolarHBondContact O-CA 3.44Å; T38-L53 PolarHBondContact O-N 2.78Å; T38-K56 HydrophobicContact CG2-CG 4.01Å
39E87.9Confident85.5Confident58 Ų5851.9 Ų51.927%0.27128%0.276SS..EExtended strand (participates in β ladder)trans-121.8140.2-178.8-62-165.2-168.800111.9F35 A36 R50 L51 F52F35-E39 WeakPolarHBondContact CA-O 3.42Å; A36-E39 HydrophobicContact CB-CB 4.33Å; A36-E39 PolarHBondContact N-O 2.83Å; A36-E39 PolarHBondContact O-N 2.85Å; E39-R50 VanDerWaalsContact CD-NH2 3.27Å; E39-R50 IonicContact OE1-NH2 3.82Å; E39-R50 PolarHBondContact OE1-NH2 2.86Å; E39-R50 VanDerWaalsContact OE1-NH2 3.09Å; E39-R50 IonicContact OE2-CZ 3.85Å; E39-R50 IonicContact OE2-NE 3.55Å; E39-R50 PolarHBondContact OE2-NE 2.86Å; E39-R50 IonicContact OE2-NH2 3.83Å; E39-R50 PolarHBondContact OE2-NH2 2.77Å; E39-L51 WeakPolarHBondContact CA-O 3.43Å; E39-F52 HydrophobicContact CG-CD1 3.89Å; E39-F52 HydrophobicContact CG-CE1 4.04Å; E39-F52 WeakPolarHBondContact OE1-CE1 3.35Å
40F89Confident85.6Confident1 Ų151 Ų510%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-121.9131.2171.5165.5-103.6000109.5V19 V33 F35 F42 L49 R50 L51 L53 I76V19-F40 HydrophobicContact CB-CE1 4.2Å; V19-F40 HydrophobicContact CB-CZ 4.05Å; V19-F40 HydrophobicContact CG1-CD1 4.37Å; V19-F40 HydrophobicContact CG1-CE1 3.64Å; V19-F40 HydrophobicContact CG1-CZ 3.89Å; V19-F40 HydrophobicContact CG2-CD1 4.4Å; V19-F40 HydrophobicContact CG2-CE1 4.26Å; V19-F40 HydrophobicContact CG2-CZ 4.27Å; V33-F40 HydrophobicContact CG1-CD2 4.28Å; V33-F40 HydrophobicContact CG1-CE2 3.62Å; V33-F40 HydrophobicContact CG1-CZ 4.49Å; F35-F40 HydrophobicContact CD1-CB 4.43Å; F35-F40 AromaticContact CD1-CD2 3.75Å; F35-F40 HydrophobicContact CD1-CD2 3.75Å; F35-F40 HydrophobicContact CE1-CB 4.45Å; F35-F40 AromaticContact CE1-CD2 3.2Å; F35-F40 HydrophobicContact CE1-CD2 3.2Å; F35-F40 AromaticContact CE1-CE2 3.72Å; F35-F40 HydrophobicContact CE1-CE2 3.72Å; F35-F40 HydrophobicContact CE1-CG 4.21Å; F35-F40 AromaticContact CZ-CD2 3.76Å; F35-F40 HydrophobicContact CZ-CD2 3.76Å; F35-F40 AromaticContact CZ-CE2 3.8Å; F35-F40 HydrophobicContact CZ-CE2 3.8Å; F40-F42 HydrophobicContact CE1-CB 3.84Å; F40-F42 HydrophobicContact CZ-CB 3.75Å; F40-L49 HydrophobicContact CE1-CD2 4.24Å; F40-R50 CarbonylContact O-C 3.59Å; F40-R50 VanDerWaalsContact O-CA 3.32Å; F40-R50 WeakPolarHBondContact O-CA 3.44Å; F40-L51 HydrophobicContact CB-CB 4.25Å; F40-L51 HydrophobicContact CD1-CB 4.13Å; F40-L51 HydrophobicContact CD1-CD1 3.7Å; F40-L51 HydrophobicContact CD1-CG 3.88Å; F40-L51 HydrophobicContact CE1-CD1 4.19Å; F40-L51 PolarHBondContact N-O 2.84Å; F40-L51 PolarHBondContact O-N 2.95Å; F40-L53 HydrophobicContact CB-CD1 4.21Å; F40-L53 HydrophobicContact CB-CG 4.45Å; F40-I76 HydrophobicContact CE2-CB 4.48Å; F40-I76 HydrophobicContact CE2-CG2 4.02Å; F40-I76 HydrophobicContact CZ-CD1 4.43Å; F40-I76 HydrophobicContact CZ-CG1 4.49Å
41L89.7Confident85.6Confident50 Ų5047.2 Ų47.226%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-121.2130.4175.5-150.4102.6000109.3V33 F34 F48 L49 R50V33-L41 WeakPolarHBondContact CA-O 3.26Å; F34-L41 HydrophobicContact CB-CB 3.98Å; F34-L41 PolarHBondContact N-O 3.32Å; F34-L41 PolarHBondContact O-N 3.45Å; L41-F48 HydrophobicContact CD1-CE2 3.94Å; L41-F48 HydrophobicContact CD1-CZ 3.87Å; L41-F48 HydrophobicContact CD2-CE2 3.99Å; L41-F48 HydrophobicContact CG-CE2 3.97Å; L41-F48 HydrophobicContact CG-CZ 4.36Å; L41-L49 CarbonylContact C-O 3.52Å; L41-L49 WeakPolarHBondContact CA-O 3.49Å; L41-R50 HydrophobicContact CD1-CB 4.05Å; L41-R50 HydrophobicContact CD1-CG 3.92Å
42F88.2Confident85.6Confident0 Ų046.5 Ų46.50%023%0.23CC..EExtended strand (participates in β ladder)trans-122.3125.1168.7168.3-84.3000108.4P6 V21 V31 V33 F40 C44 F48 L49 F74 I76P6-F42 HydrophobicContact CG-CD1 4.3Å; P6-F42 HydrophobicContact CG-CE1 4.3Å; V21-F42 HydrophobicContact CB-CE2 4.43Å; V21-F42 HydrophobicContact CB-CZ 4.4Å; V21-F42 HydrophobicContact CG1-CD1 4.06Å; V21-F42 HydrophobicContact CG1-CE1 3.75Å; V21-F42 HydrophobicContact CG1-CE2 4.43Å; V21-F42 HydrophobicContact CG1-CZ 3.95Å; V21-F42 HydrophobicContact CG2-CD2 4.38Å; V21-F42 HydrophobicContact CG2-CG 4.37Å; V31-F42 HydrophobicContact CG2-CD2 4.16Å; V31-F42 HydrophobicContact CG2-CE2 3.56Å; V31-F42 HydrophobicContact CG2-CZ 4.25Å; V33-F42 HydrophobicContact CG2-CD2 4.07Å; F40-F42 HydrophobicContact CE1-CB 3.84Å; F40-F42 HydrophobicContact CZ-CB 3.75Å; F42-C44 HydrophobicContact CE1-CB 3.79Å; F42-C44 HydrophobicContact CE2-CB 4.36Å; F42-C44 HydrophobicContact CZ-CB 3.58Å; F42-F48 WeakPolarHBondContact O-CA 3.46Å; F42-L49 HydrophobicContact CB-CB 4.2Å; F42-L49 HydrophobicContact CD1-CB 4.38Å; F42-L49 PolarHBondContact N-O 2.82Å; F42-L49 PolarHBondContact O-N 2.79Å; F42-F74 HydrophobicContact CE2-CB 4.17Å; F42-F74 HydrophobicContact CE2-CD1 4.44Å; F42-F74 HydrophobicContact CE2-CD2 4.27Å; F42-F74 HydrophobicContact CE2-CG 4.03Å; F42-F74 HydrophobicContact CZ-CD2 4.03Å; F42-F74 HydrophobicContact CZ-CE2 4.4Å; F42-F74 HydrophobicContact CZ-CG 4.27Å; F42-I76 HydrophobicContact CD2-CD1 4.11Å; F42-I76 HydrophobicContact CE2-CD1 4.38Å
43Y88.6Confident85.5Confident85 Ų8541.9 Ų41.933%0.33321%0.206SC..EExtended strand (participates in β ladder)trans-128.1122.8176.3177.6-108.9000109M3 D32 P45 F48M3-Y43 HydrophobicContact CE-CE2 3.72Å; M3-Y43 HydrophobicContact SD-CE2 4.06Å; D32-Y43 HydrophobicContact CB-CD1 4.32Å; D32-Y43 PolarHBondContact N-O 2.72Å; D32-Y43 PolarHBondContact O-N 2.9Å; Y43-P45 HydrophobicContact CE1-CG 3.93Å; Y43-P45 HydrophobicContact CE2-CG 4.34Å; Y43-F48 HydrophobicContact CD2-CD2 4.09Å
44C81.7Confident85.4Confident0 Ų042.6 Ų42.60%021%0.211CC..EExtended strand (participates in β ladder)trans-155.8101.9171.7-169.70000107.7A26 R27 V31 F42 Y47A26-C44 HydrophobicContact CB-CB 4.35Å; R27-C44 PolarHBondContact O-SG 2.69Å; V31-C44 HydrophobicContact CB-CB 4.43Å; V31-C44 HydrophobicContact CG2-CB 4.32Å; F42-C44 HydrophobicContact CE1-CB 3.79Å; F42-C44 HydrophobicContact CE2-CB 4.36Å; F42-C44 HydrophobicContact CZ-CB 3.58Å; C44-Y47 CarbonylContact C-O 3.6Å; C44-Y47 PolarHBondContact N-O 2.75Å; C44-Y47 WeakPolarHBondContact O-CA 3.46Å; C44-Y47 VanDerWaalsContact O-CB 3.3Å; C44-Y47 WeakPolarHBondContact O-CB 3.49Å; C44-Y47 PolarHBondContact O-N 2.84Å
45P75.5Confident85.3Confident39 Ų3937.5 Ų37.525%0.25319%0.19SC..THydrogen-bonded Turntrans-48132.6-172.7-30.135.5000113Y43Y43-P45 HydrophobicContact CE1-CG 3.93Å; Y43-P45 HydrophobicContact CE2-CG 4.34Å
46P78.5Confident85.5Confident44 Ų4440.9 Ų40.929%0.28620%0.204SC..THydrogen-bonded Turncis-89.414.1538.9-39.1000114.4M3 Y4M3-P46 CarbonylContact C-O 3.59Å; M3-P46 VanDerWaalsContact CA-O 3.29Å; M3-P46 WeakPolarHBondContact CA-O 3.4Å; Y4-P46 HydrophobicContact CD2-CB 3.95Å; Y4-P46 HydrophobicContact CD2-CG 4.08Å; Y4-P46 HydrophobicContact CE2-CB 4.36Å; Y4-P46 PolarHBondContact N-O 2.87Å
47Y79.7Confident85.8Confident24 Ų2439.4 Ų39.49%0.09419%0.191CC..EExtended strand (participates in β ladder)trans-94.7141.5-171.7-58-79.6000113.7Y4 P6 A23 L24 Y25 A26 C44Y4-Y47 CarbonylContact O-C 3.55Å; Y4-Y47 WeakPolarHBondContact O-CA 3.24Å; P6-Y47 HydrophobicContact CB-CD1 3.65Å; P6-Y47 HydrophobicContact CB-CE1 4.28Å; P6-Y47 HydrophobicContact CB-CG 4.04Å; P6-Y47 HydrophobicContact CG-CD1 4.37Å; A23-Y47 HydrophobicContact CB-CD2 3.68Å; A23-Y47 HydrophobicContact CB-CE2 3.7Å; A23-Y47 HydrophobicContact CB-CG 4.17Å; L24-Y47 PolarHBondContact N-OH 3.29Å; Y25-Y47 WeakPolarHBondContact CD2-OH 3.48Å; Y25-Y47 PolarHBondContact N-OH 2.99Å; A26-Y47 HydrophobicContact CB-CD2 3.88Å; A26-Y47 HydrophobicContact CB-CE2 4.02Å; C44-Y47 CarbonylContact C-O 3.6Å; C44-Y47 PolarHBondContact N-O 2.75Å; C44-Y47 WeakPolarHBondContact O-CA 3.46Å; C44-Y47 VanDerWaalsContact O-CB 3.3Å; C44-Y47 WeakPolarHBondContact O-CB 3.49Å; C44-Y47 PolarHBondContact O-N 2.84Å
48F84.8Confident85.9Confident72 Ų7237.3 Ų37.332%0.31619%0.186SC..EExtended strand (participates in β ladder)trans-140.5130.1173.2177.7-97.6000110.1M3 Y4 T5 L41 F42 Y43 R50M3-F48 HydrophobicContact CB-CB 3.92Å; M3-F48 HydrophobicContact CG-CB 4.42Å; M3-F48 HydrophobicContact SD-CB 3.8Å; M3-F48 HydrophobicContact SD-CD2 4.38Å; M3-F48 HydrophobicContact SD-CG 4.15Å; Y4-F48 PolarHBondContact O-N 3.39Å; T5-F48 WeakPolarHBondContact CA-O 3.41Å; L41-F48 HydrophobicContact CD1-CE2 3.94Å; L41-F48 HydrophobicContact CD1-CZ 3.87Å; L41-F48 HydrophobicContact CD2-CE2 3.99Å; L41-F48 HydrophobicContact CG-CE2 3.97Å; L41-F48 HydrophobicContact CG-CZ 4.36Å; F42-F48 WeakPolarHBondContact O-CA 3.46Å; Y43-F48 HydrophobicContact CD2-CD2 4.09Å; F48-R50 HydrophobicContact CE1-CB 4.14Å; F48-R50 HydrophobicContact CZ-CB 4.19Å
49L85.4Confident85.6Confident1 Ų140.3 Ų40.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-136.2130177.3-179.965.6000109.2T5 P6 F8 V21 F40 L41 F42 L51 L97T5-L49 HydrophobicContact CG2-CD1 3.71Å; P6-L49 HydrophobicContact CG-CB 4.08Å; P6-L49 HydrophobicContact CG-CD2 4.48Å; F8-L49 HydrophobicContact CB-CD2 3.8Å; F8-L49 HydrophobicContact CD1-CD1 3.64Å; F8-L49 HydrophobicContact CD1-CD2 3.84Å; F8-L49 HydrophobicContact CD1-CG 4.42Å; F8-L49 HydrophobicContact CD2-CD2 4.17Å; F8-L49 HydrophobicContact CE1-CD1 3.59Å; F8-L49 HydrophobicContact CG-CD1 4.25Å; F8-L49 HydrophobicContact CG-CD2 3.66Å; F8-L49 HydrophobicContact CZ-CD1 4.16Å; V21-L49 HydrophobicContact CG2-CD2 4.05Å; F40-L49 HydrophobicContact CE1-CD2 4.24Å; L41-L49 CarbonylContact C-O 3.52Å; L41-L49 WeakPolarHBondContact CA-O 3.49Å; F42-L49 HydrophobicContact CB-CB 4.2Å; F42-L49 HydrophobicContact CD1-CB 4.38Å; F42-L49 PolarHBondContact N-O 2.82Å; F42-L49 PolarHBondContact O-N 2.79Å; L49-L51 HydrophobicContact CD1-CD2 3.83Å; L49-L51 HydrophobicContact CD1-CG 4.36Å; L49-L51 HydrophobicContact CD2-CD1 4.31Å; L49-L51 HydrophobicContact CD2-CD2 4.47Å; L49-L51 HydrophobicContact CD2-CG 4.32Å; L49-L51 HydrophobicContact CG-CD2 4.14Å; L49-L51 HydrophobicContact CG-CG 4.11Å; L49-L97 HydrophobicContact CD1-CD2 3.82Å
50R87.9Confident85.3Confident104 Ų10439 Ų3939%0.39219%0.193SC..EExtended strand (participates in β ladder)trans-125.4126.7170.5-177.3172.9-177.3-169.6-1.2108.1E39 F40 L41 F48 F52E39-R50 VanDerWaalsContact CD-NH2 3.27Å; E39-R50 IonicContact OE1-NH2 3.82Å; E39-R50 PolarHBondContact OE1-NH2 2.86Å; E39-R50 VanDerWaalsContact OE1-NH2 3.09Å; E39-R50 IonicContact OE2-CZ 3.85Å; E39-R50 IonicContact OE2-NE 3.55Å; E39-R50 PolarHBondContact OE2-NE 2.86Å; E39-R50 IonicContact OE2-NH2 3.83Å; E39-R50 PolarHBondContact OE2-NH2 2.77Å; F40-R50 CarbonylContact O-C 3.59Å; F40-R50 VanDerWaalsContact O-CA 3.32Å; F40-R50 WeakPolarHBondContact O-CA 3.44Å; L41-R50 HydrophobicContact CD1-CB 4.05Å; L41-R50 HydrophobicContact CD1-CG 3.92Å; F48-R50 HydrophobicContact CE1-CB 4.14Å; F48-R50 HydrophobicContact CZ-CB 4.19Å; R50-F52 HydrophobicContact CG-CE2 4.44Å; R50-F52 HydrophobicContact CG-CZ 4.35Å
51L86.6Confident84.5Confident0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-119145.1177.1-55178000110.4F8 V10 V19 E39 F40 L49 L53 L96 L97F8-L51 HydrophobicContact CD2-CD1 4.13Å; F8-L51 HydrophobicContact CD2-CD2 4.26Å; F8-L51 HydrophobicContact CE1-CD2 4.4Å; F8-L51 HydrophobicContact CE2-CD1 4.03Å; F8-L51 HydrophobicContact CE2-CD2 3.51Å; F8-L51 HydrophobicContact CE2-CG 4.43Å; F8-L51 HydrophobicContact CZ-CD2 3.61Å; V10-L51 HydrophobicContact CG2-CD1 3.86Å; V19-L51 HydrophobicContact CG1-CD1 4.24Å; E39-L51 WeakPolarHBondContact CA-O 3.43Å; F40-L51 HydrophobicContact CB-CB 4.25Å; F40-L51 HydrophobicContact CD1-CB 4.13Å; F40-L51 HydrophobicContact CD1-CD1 3.7Å; F40-L51 HydrophobicContact CD1-CG 3.88Å; F40-L51 HydrophobicContact CE1-CD1 4.19Å; F40-L51 PolarHBondContact N-O 2.84Å; F40-L51 PolarHBondContact O-N 2.95Å; L49-L51 HydrophobicContact CD1-CD2 3.83Å; L49-L51 HydrophobicContact CD1-CG 4.36Å; L49-L51 HydrophobicContact CD2-CD1 4.31Å; L49-L51 HydrophobicContact CD2-CD2 4.47Å; L49-L51 HydrophobicContact CD2-CG 4.32Å; L49-L51 HydrophobicContact CG-CD2 4.14Å; L49-L51 HydrophobicContact CG-CG 4.11Å; L51-L53 HydrophobicContact CB-CD2 4.42Å; L51-L96 CarbonylContact C-O 3.55Å; L51-L96 VanDerWaalsContact CA-O 3.22Å; L51-L96 WeakPolarHBondContact CA-O 3.42Å; L51-L96 HydrophobicContact CD2-CB 4.05Å; L51-L97 HydrophobicContact CD2-CD2 3.86Å; L51-L97 HydrophobicContact CD2-CG 4.36Å
52F86.9Confident83.8Confident28 Ų2849 Ų4912%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-107.8109.9171.9-59.9-83.6000107.6T38 E39 R50 L96 P99T38-F52 CarbonylContact O-C 3.56Å; T38-F52 WeakPolarHBondContact O-CA 3.44Å; E39-F52 HydrophobicContact CG-CD1 3.89Å; E39-F52 HydrophobicContact CG-CE1 4.04Å; E39-F52 WeakPolarHBondContact OE1-CE1 3.35Å; R50-F52 HydrophobicContact CG-CE2 4.44Å; R50-F52 HydrophobicContact CG-CZ 4.35Å; F52-L96 PolarHBondContact N-O 2.89Å; F52-L96 VanDerWaalsContact O-CD2 3.32Å; F52-L96 WeakPolarHBondContact O-CD2 3.48Å; F52-P99 HydrophobicContact CD1-CB 3.92Å; F52-P99 HydrophobicContact CD2-CB 4.23Å; F52-P99 HydrophobicContact CE1-CB 3.64Å; F52-P99 HydrophobicContact CE1-CG 4.24Å; F52-P99 HydrophobicContact CE2-CB 3.97Å; F52-P99 VanDerWaalsContact CE2-CD 3.47Å; F52-P99 HydrophobicContact CE2-CG 3.9Å; F52-P99 HydrophobicContact CG-CB 4.2Å; F52-P99 HydrophobicContact CZ-CB 3.66Å; F52-P99 HydrophobicContact CZ-CG 3.74Å
53L88.5Confident83.2Confident6 Ų658.7 Ų58.73%0.03130%0.298CS..  trans-85144.2-173.5-57.4176.6000110.3L17 T38 F40 L51 G55 V57L17-L53 HydrophobicContact CD2-CD1 3.7Å; L17-L53 HydrophobicContact CD2-CD2 3.55Å; L17-L53 HydrophobicContact CD2-CG 4.24Å; T38-L53 PolarHBondContact O-N 2.78Å; F40-L53 HydrophobicContact CB-CD1 4.21Å; F40-L53 HydrophobicContact CB-CG 4.45Å; L51-L53 HydrophobicContact CB-CD2 4.42Å; L53-G55 PolarHBondContact O-N 3.19Å; L53-V57 HydrophobicContact CD1-CB 4.39Å; L53-V57 HydrophobicContact CD1-CG1 3.79Å; L53-V57 HydrophobicContact CD1-CG2 3.63Å
54P85.9Confident83Confident40 Ų4055.7 Ų55.726%0.2629%0.289SS..SBendtrans-73.5-12179.331.9-37.7000113.5F87 P88 L90P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD2 4.12Å; P54-F87 HydrophobicContact CG-CG 4.14Å; P54-P88 HydrophobicContact CB-CG 4.41Å; P54-L90 HydrophobicContact CG-CD2 4.19Å
55G86.6Confident83.4Confident5 Ų558 Ų585%0.05230%0.303CS..SBendtrans-139.7171.4179.900000111.2L53 F87L53-G55 PolarHBondContact O-N 3.19Å; G55-F87 VanDerWaalsContact C-CZ 3.43Å
56K89Confident84.1Confident85 Ų8562.1 Ų62.137%0.3732%0.319SS..  trans-87133.2-176.2-63.7-169.7179.5-152.70112E37 T38 M81E37-K56 HydrophobicContact CB-CD 4.49Å; E37-K56 HydrophobicContact CB-CG 4.47Å; E37-K56 CarbonylContact O-C 3.6Å; E37-K56 VanDerWaalsContact O-CA 3.23Å; E37-K56 WeakPolarHBondContact O-CA 3.45Å; E37-K56 WeakPolarHBondContact OE2-CE 3.36Å; E37-K56 IonicContact OE2-NZ 2.72Å; E37-K56 PolarHBondContact OE2-NZ 3.16Å; T38-K56 HydrophobicContact CG2-CG 4.01Å; K56-M81 HydrophobicContact CB-CB 3.81Å; K56-M81 HydrophobicContact CB-CG 4.41Å; K56-M81 HydrophobicContact CB-SD 3.73Å; K56-M81 HydrophobicContact CD-SD 3.61Å; K56-M81 HydrophobicContact CG-SD 4.31Å; K56-M81 VanDerWaalsContact O-CB 3.24Å; K56-M81 WeakPolarHBondContact O-CB 3.3Å; K56-M81 PolarHBondContact O-N 3.25Å
57V89Confident84.6Confident8 Ų862.5 Ų62.55%0.04832%0.316CS..BIsolated β-bridgetrans-115153.9173.3-63.10000110.8L17 F35 E37 L53 A78 P79 F87L17-V57 HydrophobicContact CB-CG1 4.43Å; L17-V57 HydrophobicContact CD2-CG1 4.32Å; F35-V57 HydrophobicContact CB-CG2 4.26Å; F35-V57 HydrophobicContact CD1-CG2 3.81Å; F35-V57 HydrophobicContact CG-CG2 4.42Å; E37-V57 WeakPolarHBondContact O-CG2 3.36Å; E37-V57 PolarHBondContact O-N 3.23Å; L53-V57 HydrophobicContact CD1-CB 4.39Å; L53-V57 HydrophobicContact CD1-CG1 3.79Å; L53-V57 HydrophobicContact CD1-CG2 3.63Å; V57-A78 HydrophobicContact CB-CB 4.26Å; V57-A78 HydrophobicContact CG1-CB 4.32Å; V57-P79 CarbonylContact C-O 3.58Å; V57-P79 WeakPolarHBondContact CA-O 3.29Å; V57-F87 HydrophobicContact CG1-CE2 3.82Å; V57-F87 HydrophobicContact CG1-CZ 4.09Å
58V86.2Confident85.1Confident73 Ų7363.7 Ų63.744%0.44232%0.324SS..  trans-107.1144.4177.4-175.60000108.2C60 P79 M81V58-C60 PolarHBondContact O-N 2.94Å; V58-P79 PolarHBondContact N-O 3.09Å; V58-M81 HydrophobicContact CG2-CB 4.08Å; V58-M81 HydrophobicContact CG2-CG 4.36Å
59E82.8Confident85.1Confident123 Ų12364.5 Ų64.558%0.57534%0.336SS*.  trans-61.8129.6172.5-167.8173.2-167.600109.4
60C81.3Confident85.1Confident30 Ų3072.3 Ų72.320%0.20337%0.373CS..  trans-79.7131.6-176.8124.80000110.5V58 G62 C64 P79V58-C60 PolarHBondContact O-N 2.94Å; C60-G62 PolarHBondContact O-N 2.93Å; C60-C64 HydrophobicContact CB-CB 4.03Å; C60-C64 WeakPolarHBondContact CB-SG 3.34Å; C60-C64 PolarHBondContact O-SG 2.8Å; C60-C64 VanDerWaalsContact SG-CA 3.55Å; C60-C64 WeakPolarHBondContact SG-CB 3.04Å; C60-C64 CovalentContact SG-SG 2.03Å; C60-C64 PolarHBondContact SG-SG 2.81Å; C60-P79 HydrophobicContact CB-CG 3.69Å
61E72.6Confident84.8Confident210 Ų21071.9 Ų71.998%0.98138%0.379SS*.SBendtrans-75.912-173.8-60.9-176.4161.400113.9
62G73.4Confident84.6Confident53 Ų5374.2 Ų74.255%0.54639%0.391SS..SBendtrans-149.2-153.9-172.200000114.6C60 C64C60-G62 PolarHBondContact O-N 2.93Å; G62-C64 PolarHBondContact O-N 2.86Å; G62-C64 PolarHBondContact O-SG 3.47Å
63E76.8Confident84.6Confident202 Ų20273.6 Ų73.694%0.94439%0.389SS*.  trans-71.894.9175.6-74-173.1173.800110.9
64C84.6Confident84.7Confident22 Ų2273.4 Ų73.415%0.14939%0.388CS..  trans-87.4-12.8-179-40.20000113.2C60 G62 I76 R77C60-C64 HydrophobicContact CB-CB 4.03Å; C60-C64 WeakPolarHBondContact CB-SG 3.34Å; C60-C64 PolarHBondContact O-SG 2.8Å; C60-C64 VanDerWaalsContact SG-CA 3.55Å; C60-C64 WeakPolarHBondContact SG-CB 3.04Å; C60-C64 CovalentContact SG-SG 2.03Å; C60-C64 PolarHBondContact SG-SG 2.81Å; G62-C64 PolarHBondContact O-N 2.86Å; G62-C64 PolarHBondContact O-SG 3.47Å; C64-I76 CarbonylContact O-C 3.54Å; C64-I76 VanDerWaalsContact O-CA 3.26Å; C64-I76 WeakPolarHBondContact O-CA 3.13Å; C64-R77 WeakPolarHBondContact CB-O 3.42Å; C64-R77 PolarHBondContact O-N 2.89Å
65V88.9Confident85Confident48 Ų4872.4 Ų72.429%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-121.8118.9-171.2-176.40000110.6V31 V33 F74 I76V31-V65 HydrophobicContact CG1-CG1 4.36Å; V31-V65 HydrophobicContact CG2-CG1 4.39Å; V33-V65 HydrophobicContact CB-CG2 4.26Å; V33-V65 HydrophobicContact CG2-CG2 3.68Å; V65-F74 HydrophobicContact CG1-CD1 3.97Å; V65-I76 HydrophobicContact CG1-CG1 4.28Å; V65-I76 HydrophobicContact CG2-CG1 4.05Å; V65-I76 HydrophobicContact CG2-CG2 4.22Å
66H90.4Very high85.3Confident127 Ų12772.2 Ų72.259%0.58838%0.379SS*.EExtended strand (participates in β ladder)trans-115.2121.7173.6-178.4-75.2000110.5T75H66-T75 PolarHBondContact N-O 2.66Å; H66-T75 PolarHBondContact O-N 2.92Å
67F90.1Very high85.4Confident52 Ų5274.6 Ų74.623%0.22839%0.386CS..EExtended strand (participates in β ladder)trans-95.6124.2176.9179.1-111.7000111.3P28 P69 F74P28-F67 HydrophobicContact CB-CB 4.45Å; P28-F67 HydrophobicContact CB-CD1 4.01Å; P28-F67 HydrophobicContact CB-CE1 4.43Å; P28-F67 HydrophobicContact CB-CG 4.13Å; P28-F67 HydrophobicContact CG-CD1 3.44Å; P28-F67 VanDerWaalsContact CG-CD1 3.44Å; P28-F67 HydrophobicContact CG-CD2 4.2Å; P28-F67 HydrophobicContact CG-CE1 3.39Å; P28-F67 HydrophobicContact CG-CE2 4.16Å; P28-F67 HydrophobicContact CG-CG 3.85Å; P28-F67 HydrophobicContact CG-CZ 3.77Å; F67-P69 HydrophobicContact CD1-CB 4.42Å; F67-P69 HydrophobicContact CE1-CB 3.88Å; F67-P69 WeakPolarHBondContact O-CD 3.5Å; F67-F74 HydrophobicContact CB-CD1 4.03Å; F67-F74 HydrophobicContact CB-CE1 4Å; F67-F74 AromaticContact CD2-CD1 3.69Å; F67-F74 HydrophobicContact CD2-CD1 3.69Å; F67-F74 AromaticContact CD2-CD2 3.81Å; F67-F74 HydrophobicContact CD2-CD2 3.81Å; F67-F74 AromaticContact CD2-CE1 3.46Å; F67-F74 HydrophobicContact CD2-CE1 3.46Å; F67-F74 VanDerWaalsContact CD2-CE1 3.46Å; F67-F74 AromaticContact CD2-CE2 3.56Å; F67-F74 HydrophobicContact CD2-CE2 3.56Å; F67-F74 AromaticContact CD2-CG 3.86Å; F67-F74 HydrophobicContact CD2-CG 3.86Å; F67-F74 AromaticContact CD2-CZ 3.39Å; F67-F74 HydrophobicContact CD2-CZ 3.39Å; F67-F74 HydrophobicContact CE2-CD2 4.09Å; F67-F74 HydrophobicContact CE2-CE1 4.2Å; F67-F74 AromaticContact CE2-CE2 3.57Å; F67-F74 HydrophobicContact CE2-CE2 3.57Å; F67-F74 AromaticContact CE2-CZ 3.64Å; F67-F74 HydrophobicContact CE2-CZ 3.64Å; F67-F74 HydrophobicContact CG-CD1 4.27Å; F67-F74 AromaticContact CG-CE1 3.95Å; F67-F74 HydrophobicContact CG-CE1 3.95Å; F67-F74 HydrophobicContact CG-CZ 4.19Å
68N89.6Confident85.5Confident48 Ų4874.2 Ų74.226%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-96.7110.3169.5-176.7-16.3000109.9E70 N72 V73N68-E70 VanDerWaalsContact C-N 3.35Å; N68-E70 PolarHBondContact O-N 3.21Å; N68-E70 WeakPolarHBondContact OD1-CB 3.22Å; N68-E70 PolarHBondContact OD1-N 3.46Å; N68-N72 WeakPolarHBondContact O-CA 3.32Å; N68-N72 PolarHBondContact O-N 2.81Å; N68-V73 PolarHBondContact N-O 3.21Å; N68-V73 PolarHBondContact O-N 2.84Å
69P85.2Confident85.7Confident89 Ų8972.6 Ų72.658%0.57838%0.375SS*.THydrogen-bonded Turntrans-70.2-25.2-177.328.7-35000114F67 N71F67-P69 HydrophobicContact CD1-CB 4.42Å; F67-P69 HydrophobicContact CE1-CB 3.88Å; F67-P69 WeakPolarHBondContact O-CD 3.5Å; P69-N71 PolarHBondContact O-N 3.13Å
70E85.3Confident86.1Confident166 Ų16667.2 Ų67.278%0.77635%0.349SS*.THydrogen-bonded Turntrans-67.3-39.6-177.9-62-178.5163.600111.4N68N68-E70 VanDerWaalsContact C-N 3.35Å; N68-E70 PolarHBondContact O-N 3.21Å; N68-E70 WeakPolarHBondContact OD1-CB 3.22Å; N68-E70 PolarHBondContact OD1-N 3.46Å
71N82Confident86.5Confident95 Ų9570.9 Ų70.951%0.50837%0.365SS..THydrogen-bonded Turntrans-106.4-3.6-176.3-65-41.6000113.4P69 V73P69-N71 PolarHBondContact O-N 3.13Å; N71-V73 VanDerWaalsContact C-N 3.3Å; N71-V73 HydrophobicContact CB-CG2 3.84Å; N71-V73 WeakPolarHBondContact O-CG2 3.46Å; N71-V73 PolarHBondContact O-N 2.79Å
72N81.5Confident87.2Confident49 Ų4965.1 Ų65.126%0.26234%0.341SS..THydrogen-bonded Turntrans52.945.1-170.7-61.7-73.1000112.7K22 A23 L24 N68K22-N72 WeakPolarHBondContact CA-O 3.32Å; A23-N72 PolarHBondContact N-O 3.45Å; L24-N72 HydrophobicContact CD2-CB 4.08Å; N68-N72 WeakPolarHBondContact O-CA 3.32Å; N68-N72 PolarHBondContact O-N 2.81Å
73V87.8Confident87.9Confident15 Ų1567.7 Ų67.79%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-114.8121.8-176.9179.30000110.3W9 R20 V21 K22 N68 N71W9-V73 HydrophobicContact CH2-CG1 4.13Å; W9-V73 HydrophobicContact CH2-CG2 4.07Å; W9-V73 HydrophobicContact CZ2-CG1 4.21Å; R20-V73 HydrophobicContact CB-CG1 4.1Å; V21-V73 CarbonylContact O-C 3.46Å; V21-V73 WeakPolarHBondContact O-CA 3.46Å; K22-V73 HydrophobicContact CB-CG2 4.12Å; K22-V73 HydrophobicContact CG-CG2 4.16Å; N68-V73 PolarHBondContact N-O 3.21Å; N68-V73 PolarHBondContact O-N 2.84Å; N71-V73 VanDerWaalsContact C-N 3.3Å; N71-V73 HydrophobicContact CB-CG2 3.84Å; N71-V73 WeakPolarHBondContact O-CG2 3.46Å; N71-V73 PolarHBondContact O-N 2.79Å
74F90.1Very high88.3Confident1 Ų160.5 Ų60.50%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-82.7126165.1-63.4-93.7000108.7R20 V21 A23 A26 P28 V31 F42 V65 F67 I76R20-F74 CarbonylContact C-O 3.52Å; R20-F74 VanDerWaalsContact CA-O 3.29Å; R20-F74 WeakPolarHBondContact CA-O 3.25Å; V21-F74 HydrophobicContact CB-CB 4.41Å; V21-F74 PolarHBondContact N-O 3.37Å; V21-F74 PolarHBondContact O-N 3.21Å; A23-F74 HydrophobicContact CB-CD2 4.19Å; A23-F74 HydrophobicContact CB-CE2 4.03Å; A26-F74 HydrophobicContact CB-CE2 3.8Å; A26-F74 HydrophobicContact CB-CZ 4.12Å; P28-F74 HydrophobicContact CB-CE1 4.12Å; P28-F74 HydrophobicContact CB-CZ 4.26Å; P28-F74 HydrophobicContact CG-CE1 4.49Å; P28-F74 HydrophobicContact CG-CZ 4.19Å; V31-F74 HydrophobicContact CB-CE1 4.15Å; V31-F74 HydrophobicContact CG2-CD1 4.14Å; V31-F74 HydrophobicContact CG2-CE1 4.14Å; F42-F74 HydrophobicContact CE2-CB 4.17Å; F42-F74 HydrophobicContact CE2-CD1 4.44Å; F42-F74 HydrophobicContact CE2-CD2 4.27Å; F42-F74 HydrophobicContact CE2-CG 4.03Å; F42-F74 HydrophobicContact CZ-CD2 4.03Å; F42-F74 HydrophobicContact CZ-CE2 4.4Å; F42-F74 HydrophobicContact CZ-CG 4.27Å; V65-F74 HydrophobicContact CG1-CD1 3.97Å; F67-F74 HydrophobicContact CB-CD1 4.03Å; F67-F74 HydrophobicContact CB-CE1 4Å; F67-F74 AromaticContact CD2-CD1 3.69Å; F67-F74 HydrophobicContact CD2-CD1 3.69Å; F67-F74 AromaticContact CD2-CD2 3.81Å; F67-F74 HydrophobicContact CD2-CD2 3.81Å; F67-F74 AromaticContact CD2-CE1 3.46Å; F67-F74 HydrophobicContact CD2-CE1 3.46Å; F67-F74 VanDerWaalsContact CD2-CE1 3.46Å; F67-F74 AromaticContact CD2-CE2 3.56Å; F67-F74 HydrophobicContact CD2-CE2 3.56Å; F67-F74 AromaticContact CD2-CG 3.86Å; F67-F74 HydrophobicContact CD2-CG 3.86Å; F67-F74 AromaticContact CD2-CZ 3.39Å; F67-F74 HydrophobicContact CD2-CZ 3.39Å; F67-F74 HydrophobicContact CE2-CD2 4.09Å; F67-F74 HydrophobicContact CE2-CE1 4.2Å; F67-F74 AromaticContact CE2-CE2 3.57Å; F67-F74 HydrophobicContact CE2-CE2 3.57Å; F67-F74 AromaticContact CE2-CZ 3.64Å; F67-F74 HydrophobicContact CE2-CZ 3.64Å; F67-F74 HydrophobicContact CG-CD1 4.27Å; F67-F74 AromaticContact CG-CE1 3.95Å; F67-F74 HydrophobicContact CG-CE1 3.95Å; F67-F74 HydrophobicContact CG-CZ 4.19Å; F74-I76 HydrophobicContact CB-CD1 3.83Å
75T92.5Very high88.5Confident20 Ų2062.6 Ų62.612%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-106.2112171.1-58.60000107.6I18 R20 H66I18-T75 HydrophobicContact CG2-CG2 3.87Å; R20-T75 HydrophobicContact CG-CG2 4.43Å; H66-T75 PolarHBondContact N-O 2.66Å; H66-T75 PolarHBondContact O-N 2.92Å
76I92.3Very high88.4Confident1 Ų166.8 Ų66.81%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-107.1128.9-179.1-54.792.3000108.8I18 V19 V21 V33 F35 F40 F42 C64 V65 F74I18-I76 CarbonylContact C-O 3.59Å; I18-I76 WeakPolarHBondContact CA-O 3.47Å; V19-I76 HydrophobicContact CB-CB 4.44Å; V19-I76 PolarHBondContact N-O 2.73Å; V19-I76 WeakPolarHBondContact O-CD1 3.4Å; V19-I76 PolarHBondContact O-N 2.74Å; V21-I76 HydrophobicContact CB-CD1 4.36Å; V21-I76 HydrophobicContact CG2-CD1 3.87Å; V33-I76 HydrophobicContact CG1-CG2 3.89Å; V33-I76 HydrophobicContact CG2-CG1 4.25Å; F35-I76 HydrophobicContact CE2-CG2 4.28Å; F35-I76 HydrophobicContact CZ-CG2 3.67Å; F40-I76 HydrophobicContact CE2-CB 4.48Å; F40-I76 HydrophobicContact CE2-CG2 4.02Å; F40-I76 HydrophobicContact CZ-CD1 4.43Å; F40-I76 HydrophobicContact CZ-CG1 4.49Å; F42-I76 HydrophobicContact CD2-CD1 4.11Å; F42-I76 HydrophobicContact CE2-CD1 4.38Å; C64-I76 CarbonylContact O-C 3.54Å; C64-I76 VanDerWaalsContact O-CA 3.26Å; C64-I76 WeakPolarHBondContact O-CA 3.13Å; V65-I76 HydrophobicContact CG1-CG1 4.28Å; V65-I76 HydrophobicContact CG2-CG1 4.05Å; V65-I76 HydrophobicContact CG2-CG2 4.22Å; F74-I76 HydrophobicContact CB-CD1 3.83Å
77R91.9Very high88.3Confident135 Ų13560.8 Ų60.851%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-109.5132.5176.1-65.6-173.9177.4175.2-1.3110.9L17 C64L17-R77 CarbonylContact O-C 3.47Å; L17-R77 WeakPolarHBondContact O-CA 3.46Å; C64-R77 WeakPolarHBondContact CB-O 3.42Å; C64-R77 PolarHBondContact O-N 2.89Å
78A89.8Confident88Confident0 Ų061.3 Ų61.30%033%0.33CS..EExtended strand (participates in β ladder)trans-127.5113.5179.200000109.9D16 L17 F35 V57 K80D16-A78 CarbonylContact C-O 3.57Å; D16-A78 WeakPolarHBondContact CA-O 3.32Å; L17-A78 HydrophobicContact CB-CB 4.28Å; L17-A78 PolarHBondContact N-O 3.33Å; L17-A78 PolarHBondContact O-N 2.81Å; F35-A78 HydrophobicContact CD1-CB 3.76Å; F35-A78 HydrophobicContact CE1-CB 3.12Å; F35-A78 HydrophobicContact CE2-CB 4.21Å; F35-A78 HydrophobicContact CZ-CB 3.39Å; V57-A78 HydrophobicContact CB-CB 4.26Å; V57-A78 HydrophobicContact CG1-CB 4.32Å; A78-K80 PolarHBondContact O-N 3.49Å
79P90.5Very high87.6Confident39 Ų3961 Ų6125%0.25333%0.329SS..EExtended strand (participates in β ladder)trans-57.7133.5175.6-25.334.1000111.6D16 V57 V58 C60D16-P79 WeakPolarHBondContact OD1-CA 3.26Å; V57-P79 CarbonylContact C-O 3.58Å; V57-P79 WeakPolarHBondContact CA-O 3.29Å; V58-P79 PolarHBondContact N-O 3.09Å; C60-P79 HydrophobicContact CB-CG 3.69Å
80K91.6Very high87.6Confident9 Ų957.2 Ų57.24%0.03930%0.304CS..BIsolated β-bridgetrans-70.8143.3172.8-65.4173.8174.8-179.30109.4D13 K15 A78 N82 E85 F87D13-K80 WeakPolarHBondContact O-CE 3.45Å; D13-K80 PolarHBondContact O-NZ 2.66Å; K15-K80 WeakPolarHBondContact O-CB 3.35Å; K15-K80 WeakPolarHBondContact O-CG 3.45Å; K15-K80 PolarHBondContact O-N 3.31Å; A78-K80 PolarHBondContact O-N 3.49Å; K80-N82 VanDerWaalsContact C-N 3.26Å; K80-N82 PolarHBondContact O-N 3.26Å; K80-E85 WeakPolarHBondContact CD-O 3.39Å; K80-E85 WeakPolarHBondContact CE-O 3.24Å; K80-E85 PolarHBondContact NZ-O 2.96Å; K80-F87 HydrophobicContact CD-CE1 4.28Å; K80-F87 HydrophobicContact CG-CE1 4.2Å; K80-F87 HydrophobicContact CG-CZ 4.07Å
81M88.7Confident87.3Confident108 Ų10853 Ų5353%0.53229%0.286SS..SBendtrans-60.9-39.3174.3-175.7174.5-176.200111.5K56 V58K56-M81 HydrophobicContact CB-CB 3.81Å; K56-M81 HydrophobicContact CB-CG 4.41Å; K56-M81 HydrophobicContact CB-SD 3.73Å; K56-M81 HydrophobicContact CD-SD 3.61Å; K56-M81 HydrophobicContact CG-SD 4.31Å; K56-M81 VanDerWaalsContact O-CB 3.24Å; K56-M81 WeakPolarHBondContact O-CB 3.3Å; K56-M81 PolarHBondContact O-N 3.25Å; V58-M81 HydrophobicContact CG2-CB 4.08Å; V58-M81 HydrophobicContact CG2-CG 4.36Å
82N87.5Confident87.3Confident89 Ų8948.7 Ų48.748%0.47626%0.263SS..SBendtrans-112.8111.3174-54.2-55.6000109.4K80 G84 E85K80-N82 VanDerWaalsContact C-N 3.26Å; K80-N82 PolarHBondContact O-N 3.26Å; N82-G84 PolarHBondContact O-N 2.92Å; N82-E85 HydrophobicContact CB-CB 3.91Å; N82-E85 WeakPolarHBondContact CB-OE2 3.37Å; N82-E85 PolarHBondContact ND2-OE2 3.35Å; N82-E85 VanDerWaalsContact O-CB 3.24Å; N82-E85 WeakPolarHBondContact O-CB 3.11Å; N82-E85 PolarHBondContact O-N 3.16Å; N82-E85 VanDerWaalsContact O-N 3.09Å
83V88Confident87.2Confident107 Ų10746.5 Ų46.565%0.64825%0.252SS*.THydrogen-bonded Turntrans-63.2130.9174.4-179.90000109.4K15K15-V83 HydrophobicContact CG-CG1 3.93Å
84G85.4Confident86.6Confident51 Ų5146.2 Ų46.253%0.52625%0.25SC..THydrogen-bonded Turntrans88.8-5.9-174.800000114.4E14 N82 H86E14-G84 PolarHBondContact O-N 2.92Å; N82-G84 PolarHBondContact O-N 2.92Å; G84-H86 PolarHBondContact O-N 3.38Å
85E88.7Confident86Confident66 Ų6648.7 Ų48.731%0.30826%0.259SS..PPolyproline II helixtrans-70123.9174-174.9178.6176.600110.4K80 N82 F87K80-E85 WeakPolarHBondContact CD-O 3.39Å; K80-E85 WeakPolarHBondContact CE-O 3.24Å; K80-E85 PolarHBondContact NZ-O 2.96Å; N82-E85 HydrophobicContact CB-CB 3.91Å; N82-E85 WeakPolarHBondContact CB-OE2 3.37Å; N82-E85 PolarHBondContact ND2-OE2 3.35Å; N82-E85 VanDerWaalsContact O-CB 3.24Å; N82-E85 WeakPolarHBondContact O-CB 3.11Å; N82-E85 PolarHBondContact O-N 3.16Å; N82-E85 VanDerWaalsContact O-N 3.09Å; E85-F87 HydrophobicContact CB-CE1 4.4Å; E85-F87 HydrophobicContact CG-CD1 4.13Å; E85-F87 HydrophobicContact CG-CE1 4.02Å
86H87.7Confident85.5Confident136 Ų13648 Ų4863%0.6326%0.255SS*.PPolyproline II helixtrans-90.1119.6175.8177.7-75.6000110.4Q12 G84 P88Q12-H86 PolarHBondContact NE2-NE2 3.32Å; G84-H86 PolarHBondContact O-N 3.38Å; H86-P88 WeakPolarHBondContact O-CD 3.31Å
87F88.1Confident85Confident1 Ų149 Ų490%0.00426%0.26CS..PPolyproline II helixtrans-81.7116.4177.4-75.518.7000109.4Q12 L17 P54 G55 V57 K80 E85 L90Q12-F87 PolarHBondContact NE2-O 2.71Å; L17-F87 HydrophobicContact CD1-CD2 3.96Å; L17-F87 HydrophobicContact CD1-CE2 4.5Å; P54-F87 HydrophobicContact CG-CB 3.82Å; P54-F87 HydrophobicContact CG-CD2 4.12Å; P54-F87 HydrophobicContact CG-CG 4.14Å; G55-F87 VanDerWaalsContact C-CZ 3.43Å; V57-F87 HydrophobicContact CG1-CE2 3.82Å; V57-F87 HydrophobicContact CG1-CZ 4.09Å; K80-F87 HydrophobicContact CD-CE1 4.28Å; K80-F87 HydrophobicContact CG-CE1 4.2Å; K80-F87 HydrophobicContact CG-CZ 4.07Å; E85-F87 HydrophobicContact CB-CE1 4.4Å; E85-F87 HydrophobicContact CG-CD1 4.13Å; E85-F87 HydrophobicContact CG-CE1 4.02Å; F87-L90 HydrophobicContact CB-CD1 4.18Å; F87-L90 HydrophobicContact CB-CD2 3.92Å; F87-L90 HydrophobicContact CB-CG 4.13Å
88P84.7Confident84.2Confident62 Ų6243.3 Ų43.340%0.40324%0.24SC..THydrogen-bonded Turntrans-76156.8-177.931.4-35.2000112.2P54 H86 L90P54-P88 HydrophobicContact CB-CG 4.41Å; H86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-L90 VanDerWaalsContact C-N 3.31Å; P88-L90 PolarHBondContact O-N 3.16Å
89D80.7Confident83.4Confident42 Ų4245.9 Ų45.923%0.22526%0.256CS..THydrogen-bonded Turntrans59.328.5168.1-55.8-51.6000115.5D91 M92 R95 K393D89-D91 PolarHBondContact O-N 3.18Å; D89-D91 VanDerWaalsContact O-N 3.16Å; D89-M92 HydrophobicContact CB-CB 4.26Å; D89-M92 HydrophobicContact CB-CG 3.72Å; D89-M92 WeakPolarHBondContact O-CB 3.04Å; D89-M92 PolarHBondContact O-N 3Å; D89-R95 IonicContact OD2-CZ 3.12Å; D89-R95 IonicContact OD2-NH1 3.95Å; D89-R95 PolarHBondContact OD2-NH1 2.82Å; D89-K393 IonicContact OD1-NZ 2.67Å; D89-K393 PolarHBondContact OD1-NZ 3.4Å; D89-K393 IonicContact OD2-NZ 3.19Å
90L84.1Confident82.1Confident10 Ų1049.8 Ų49.85%0.05227%0.271CS..THydrogen-bonded Turntrans-59.9-24.5177.1-65.7-178.6000113.6V10 Q12 L17 P54 F87 P88 M92 L96V10-L90 HydrophobicContact CB-CB 4.42Å; V10-L90 HydrophobicContact CG1-CB 4.44Å; V10-L90 HydrophobicContact CG1-CD1 4.2Å; V10-L90 HydrophobicContact CG1-CD2 3.99Å; V10-L90 HydrophobicContact CG1-CG 4.44Å; Q12-L90 HydrophobicContact CB-CD1 3.82Å; Q12-L90 HydrophobicContact CG-CD1 3.83Å; L17-L90 HydrophobicContact CD1-CD1 3.68Å; L17-L90 HydrophobicContact CD1-CD2 3.96Å; L17-L90 HydrophobicContact CD1-CG 4.5Å; P54-L90 HydrophobicContact CG-CD2 4.19Å; F87-L90 HydrophobicContact CB-CD1 4.18Å; F87-L90 HydrophobicContact CB-CD2 3.92Å; F87-L90 HydrophobicContact CB-CG 4.13Å; P88-L90 VanDerWaalsContact C-N 3.31Å; P88-L90 PolarHBondContact O-N 3.16Å; L90-M92 VanDerWaalsContact C-N 3.27Å; L90-M92 PolarHBondContact O-N 3.05Å; L90-L96 WeakPolarHBondContact O-CD1 3.44Å
91D79.5Confident80.6Confident77 Ų7752.6 Ų52.641%0.41230%0.303SS..THydrogen-bonded Turntrans-73.7-15.4174.7-61-43.8000113.1D89 L93 Y251 V394D89-D91 PolarHBondContact O-N 3.18Å; D89-D91 VanDerWaalsContact O-N 3.16Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.2Å; D91-Y251 HydrophobicContact CB-CE2 4.01Å; D91-Y251 VanDerWaalsContact O-CE2 3.27Å; D91-Y251 WeakPolarHBondContact O-CE2 3.46Å; D91-V394 HydrophobicContact CB-CG2 3.89Å
92M81.5Confident79Confident4 Ų448.6 Ų48.62%0.0229%0.285CS..  trans-84.270.2-178.4-55.2-62.7129.500110.4D89 L90 T94 R95 L96 K393 V394 I397 Q430D89-M92 HydrophobicContact CB-CB 4.26Å; D89-M92 HydrophobicContact CB-CG 3.72Å; D89-M92 WeakPolarHBondContact O-CB 3.04Å; D89-M92 PolarHBondContact O-N 3Å; L90-M92 VanDerWaalsContact C-N 3.27Å; L90-M92 PolarHBondContact O-N 3.05Å; M92-T94 VanDerWaalsContact C-N 3.27Å; M92-T94 PolarHBondContact O-N 3.19Å; M92-T94 VanDerWaalsContact O-N 3.14Å; M92-R95 HydrophobicContact CB-CB 4.07Å; M92-R95 WeakPolarHBondContact O-CA 3.2Å; M92-R95 VanDerWaalsContact O-CB 3.3Å; M92-R95 WeakPolarHBondContact O-CB 3.42Å; M92-R95 PolarHBondContact O-N 2.78Å; M92-L96 PolarHBondContact O-N 2.86Å; M92-K393 HydrophobicContact CE-CB 3.74Å; M92-K393 HydrophobicContact CE-CD 4.48Å; M92-K393 HydrophobicContact SD-CB 4.45Å; M92-V394 HydrophobicContact CE-CG2 3.84Å; M92-I397 HydrophobicContact CE-CD1 3.81Å; M92-I397 HydrophobicContact SD-CD1 3.34Å; M92-I397 WeakPolarHBondContact SD-CD1 3.09Å; M92-Q430 HydrophobicContact CB-CB 4.19Å; M92-Q430 HydrophobicContact CB-CG 4.29Å; M92-Q430 HydrophobicContact SD-CB 4.06Å; M92-Q430 HydrophobicContact SD-CG 3.67Å
93L79.6Confident77Confident4 Ų447.8 Ų47.82%0.02129%0.285CS..Hα-helixtrans-55.9-35.6-169.4-56.2-177.9000114.1F8 D91 R95 L96 L97 I256 L259F8-L93 HydrophobicContact CD2-CD2 4.3Å; F8-L93 HydrophobicContact CE2-CB 4.42Å; F8-L93 HydrophobicContact CE2-CD2 3.73Å; F8-L93 HydrophobicContact CZ-CB 4.16Å; F8-L93 HydrophobicContact CZ-CD2 4.29Å; D91-L93 VanDerWaalsContact C-N 3.3Å; D91-L93 PolarHBondContact O-N 3.2Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.86Å; L93-L96 PolarHBondContact O-N 3.03Å; L93-L97 WeakPolarHBondContact O-CG 3.34Å; L93-L97 PolarHBondContact O-N 3.4Å; L93-I256 HydrophobicContact CD1-CB 4.29Å; L93-I256 HydrophobicContact CD1-CG1 4.15Å; L93-I256 HydrophobicContact CD1-CG2 3.75Å; L93-L259 HydrophobicContact CD1-CB 4.41Å; L93-L259 HydrophobicContact CD1-CD1 4.31Å
94T75.5Confident74.7Confident8 Ų844.6 Ų44.65%0.04927%0.27CS..Hα-helixtrans-67.6-31.9178.564.80000111.9M92 L97 V98 L259 L262 Q430M92-T94 VanDerWaalsContact C-N 3.27Å; M92-T94 PolarHBondContact O-N 3.19Å; M92-T94 VanDerWaalsContact O-N 3.14Å; T94-L97 PolarHBondContact O-N 2.94Å; T94-V98 WeakPolarHBondContact O-CG2 3.48Å; T94-L259 VanDerWaalsContact CG2-O 3.23Å; T94-L259 WeakPolarHBondContact CG2-O 2.99Å; T94-L262 HydrophobicContact CG2-CB 3.99Å; T94-L262 HydrophobicContact CG2-CD1 4.06Å; T94-Q430 PolarHBondContact OG1-NE2 2.98Å; T94-Q430 VanDerWaalsContact OG1-NE2 3.12Å; T94-Q430 PolarHBondContact OG1-OE1 2.99Å
95R78.1Confident72.5Confident54 Ų5447.2 Ų47.220%0.20428%0.275CS..Hα-helixtrans-68.6-39.7176.5-175.8176.8170.4-168-12.1110.8D89 M92 L93 L97 V98 E100D89-R95 IonicContact OD2-CZ 3.12Å; D89-R95 IonicContact OD2-NH1 3.95Å; D89-R95 PolarHBondContact OD2-NH1 2.82Å; M92-R95 HydrophobicContact CB-CB 4.07Å; M92-R95 WeakPolarHBondContact O-CA 3.2Å; M92-R95 VanDerWaalsContact O-CB 3.3Å; M92-R95 WeakPolarHBondContact O-CB 3.42Å; M92-R95 PolarHBondContact O-N 2.78Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.86Å; R95-L97 PolarHBondContact O-N 3.21Å; R95-V98 PolarHBondContact O-N 2.83Å; R95-V98 VanDerWaalsContact O-O 3.08Å; R95-E100 IonicContact NH2-OE1 3.82Å
96L82.6Confident70.1Confident6 Ų646.4 Ų46.43%0.03129%0.285CS..Hα-helixtrans-66-24.2175.3-61.8178.1000112.4V10 L51 F52 L90 M92 L93 V98V10-L96 HydrophobicContact CB-CD1 4.27Å; V10-L96 HydrophobicContact CG2-CD1 3.84Å; L51-L96 CarbonylContact C-O 3.55Å; L51-L96 VanDerWaalsContact CA-O 3.22Å; L51-L96 WeakPolarHBondContact CA-O 3.42Å; L51-L96 HydrophobicContact CD2-CB 4.05Å; F52-L96 PolarHBondContact N-O 2.89Å; F52-L96 VanDerWaalsContact O-CD2 3.32Å; F52-L96 WeakPolarHBondContact O-CD2 3.48Å; L90-L96 WeakPolarHBondContact O-CD1 3.44Å; M92-L96 PolarHBondContact O-N 2.86Å; L93-L96 PolarHBondContact O-N 3.03Å; L96-V98 VanDerWaalsContact C-N 3.34Å
97L80.7Confident67.5Low21 Ų2144 Ų4411%0.1128%0.28CS..THydrogen-bonded Turntrans-83.3-9178.8-69.8167000113.8F8 L49 L51 L93 T94 R95F8-L97 HydrophobicContact CE1-CD1 4.31Å; F8-L97 HydrophobicContact CE1-CD2 4.13Å; F8-L97 HydrophobicContact CE1-CG 4.45Å; F8-L97 HydrophobicContact CZ-CD1 4.19Å; F8-L97 HydrophobicContact CZ-CD2 4.03Å; F8-L97 HydrophobicContact CZ-CG 4.05Å; L49-L97 HydrophobicContact CD1-CD2 3.82Å; L51-L97 HydrophobicContact CD2-CD2 3.86Å; L51-L97 HydrophobicContact CD2-CG 4.36Å; L93-L97 WeakPolarHBondContact O-CG 3.34Å; L93-L97 PolarHBondContact O-N 3.4Å; T94-L97 PolarHBondContact O-N 2.94Å; R95-L97 PolarHBondContact O-N 3.21Å
98V75.5Confident64.8Low16 Ų1646.8 Ų46.810%0.09730%0.299CS..SBendtrans-117.7129.9-172.6176.90000109.9T94 R95 L96 E100 S102 K264 N266T94-V98 WeakPolarHBondContact O-CG2 3.48Å; R95-V98 PolarHBondContact O-N 2.83Å; R95-V98 VanDerWaalsContact O-O 3.08Å; L96-V98 VanDerWaalsContact C-N 3.34Å; V98-E100 PolarHBondContact O-N 3.4Å; V98-S102 WeakPolarHBondContact CG1-OG 3.2Å; V98-K264 HydrophobicContact CG2-CB 4.13Å; V98-N266 WeakPolarHBondContact CG1-OD1 3.34Å
99P72Confident62Low53 Ų5351 Ų5134%0.34432%0.318SS..  trans-64.1137.9179.49.9-10.8000111.3F52 G101 S102F52-P99 HydrophobicContact CD1-CB 3.92Å; F52-P99 HydrophobicContact CD2-CB 4.23Å; F52-P99 HydrophobicContact CE1-CB 3.64Å; F52-P99 HydrophobicContact CE1-CG 4.24Å; F52-P99 HydrophobicContact CE2-CB 3.97Å; F52-P99 VanDerWaalsContact CE2-CD 3.47Å; F52-P99 HydrophobicContact CE2-CG 3.9Å; F52-P99 HydrophobicContact CG-CB 4.2Å; F52-P99 HydrophobicContact CZ-CB 3.66Å; F52-P99 HydrophobicContact CZ-CG 3.74Å; P99-G101 PolarHBondContact O-N 3.03Å; P99-S102 PolarHBondContact O-N 3.18Å; P99-S102 VanDerWaalsContact O-N 3.14Å; P99-S102 PolarHBondContact O-OG 2.76Å
100E64.7Low59.6Low122 Ų12253.7 Ų53.757%0.5734%0.336SS*.THydrogen-bonded Turntrans-59.7125.1172.4-64.7-147.7141.900109.5R95 V98 R433R95-E100 IonicContact NH2-OE1 3.82Å; V98-E100 PolarHBondContact O-N 3.4Å; E100-R433 IonicContact OE1-NH2 2.74Å
101G58.7Low56.9Low67 Ų6762.1 Ų62.169%0.69137%0.372SS*.THydrogen-bonded Turntrans88.14.1-179.100000115.8P99P99-G101 PolarHBondContact O-N 3.03Å
102S56.5Low54.5Low24 Ų2462.6 Ų62.617%0.16837%0.374CS..  trans-60.5136.9167.346.70000110.5V98 P99 A104 N266V98-S102 WeakPolarHBondContact CG1-OG 3.2Å; P99-S102 PolarHBondContact O-N 3.18Å; P99-S102 VanDerWaalsContact O-N 3.14Å; P99-S102 PolarHBondContact O-OG 2.76Å; S102-A104 PolarHBondContact O-N 2.91Å; S102-N266 PolarHBondContact O-ND2 3.38Å; S102-N266 PolarHBondContact OG-ND2 2.78Å
103P45.5Very low51.9Low72 Ų7268.8 Ų68.847%0.46842%0.415SS..  trans-59.6132.1-17521.4-31.8000108V105 Y136P103-V105 PolarHBondContact O-N 3Å; P103-Y136 HydrophobicContact CB-CD1 4.3Å; P103-Y136 HydrophobicContact CB-CE1 4.48Å; P103-Y136 VanDerWaalsContact CD-CD1 3.49Å; P103-Y136 HydrophobicContact CG-CD1 3.71Å; P103-Y136 HydrophobicContact CG-CE1 3.46Å; P103-Y136 VanDerWaalsContact CG-CE1 3.46Å
104A39.5Very low49.6Very low40 Ų4071.7 Ų71.733%0.33145%0.445SS..  trans-52.9108.6165.200000107.1S102 G106 N266 T268S102-A104 PolarHBondContact O-N 2.91Å; A104-G106 PolarHBondContact O-N 3.27Å; A104-N266 HydrophobicContact CB-CB 4.28Å; A104-N266 WeakPolarHBondContact CB-O 3.46Å; A104-T268 HydrophobicContact CB-CG2 3.78Å; A104-T268 WeakPolarHBondContact CB-OG1 3.45Å
105V39Very low47.3Very low106 Ų10679 Ų7964%0.64248%0.479SS*.  trans-64.896.3168.3177.70000104.6P103 T107P103-V105 PolarHBondContact O-N 3Å; V105-T107 PolarHBondContact O-N 3Å
106G38.3Very low44.9Very low50 Ų5082.4 Ų82.452%0.51551%0.506SS..  trans-52.6134.6170.300000108.6A104A104-G106 PolarHBondContact O-N 3.27Å
107T33.4Very low42.3Very low86 Ų8688.6 Ų88.653%0.52854%0.544SS..SBendtrans40.7116.9156.226.30000117.9V105 N109V105-T107 PolarHBondContact O-N 3Å; T107-N109 PolarHBondContact O-N 3.45Å
108C31.1Very low39.7Very low59 Ų5996.6 Ų96.640%0.39958%0.578SS.*  trans-32.3122.6178-159.10000116.9V110 R160C108-V110 VanDerWaalsContact SG-CG2 3.6Å; C108-R160 VanDerWaalsContact SG-CZ 3.6Å; C108-R160 PolarHBondContact SG-NH1 2.79Å
109N26.3Very low37.6Very low150 Ų150101.8 Ų101.880%0.80261%0.61SS**  trans-89.490.9153.6-71.3-22.5000107.9T107 K111T107-N109 PolarHBondContact O-N 3.45Å; N109-K111 PolarHBondContact O-N 2.86Å; N109-K111 VanDerWaalsContact O-N 3.11Å
110V30.3Very low35.4Very low99 Ų99108.3 Ų108.360%0.664%0.636SS**  trans-68.5103.1156.81790000105.9C108 L112C108-V110 VanDerWaalsContact SG-CG2 3.6Å; V110-L112 PolarHBondContact O-N 2.97Å
111K27.1Very low33.7Very low187 Ų187110 Ų11081%0.81365%0.648SS**  trans-73.1114.4165.8-74.4-175.6177.2-176.50107.3N109N109-K111 PolarHBondContact O-N 2.86Å; N109-K111 VanDerWaalsContact O-N 3.11Å
112L29.7Very low32.3Very low86 Ų86112.3 Ų112.345%0.4565%0.654SS.*  trans-53.6136.8163.8-76.8156.2000109.2V110 G114V110-L112 PolarHBondContact O-N 2.97Å; L112-G114 VanDerWaalsContact C-N 3.29Å; L112-G114 PolarHBondContact O-N 3.24Å
113P26.1Very low30.9Very low135 Ų135121.8 Ų121.888%0.87769%0.687SS**THydrogen-bonded Turntrans-70.290.7166.629.1-29.5000107.8
114G30.2Very low30.3Very low64 Ų64126.2 Ų126.266%0.6671%0.707SS**THydrogen-bonded Turntrans163.2-15.4176.600000117.7L112 T116L112-G114 VanDerWaalsContact C-N 3.29Å; L112-G114 PolarHBondContact O-N 3.24Å; G114-T116 PolarHBondContact O-N 3.05Å
115E28.6Very low29.8Very low162 Ų162135.1 Ų135.176%0.75773%0.732SS**  trans-84.3106.9-178.2-93.7-177.9153.200112.8T117E115-T117 PolarHBondContact O-N 3.3Å
116T26.7Very low29.5Very low125 Ų125139.2 Ų139.277%0.76774%0.744SS**  trans-78.498.7172.1-460000108.2G114 K118G114-T116 PolarHBondContact O-N 3.05Å; T116-K118 PolarHBondContact O-N 3.47Å
117T29.2Very low29Very low136 Ų136142.9 Ų142.983%0.83476%0.762SS**  trans-67.895.4172.540.40000110.4E115E115-T117 PolarHBondContact O-N 3.3Å
118K25.8Very low28.9Very low190 Ų190149.7 Ų149.783%0.82678%0.778SS**  trans-86.392.9155.7-75.1-175.5178.1179.90108.3T116T116-K118 PolarHBondContact O-N 3.47Å
119T31.6Very low29Very low125 Ų125156.5 Ų156.577%0.76780%0.804SS**  trans-148.9100.7150.5-410000108.7
120E26Very low29.4Very low189 Ų189153.2 Ų153.288%0.88379%0.789SS**  trans-60.2123.1167.2-60.4172.6154.400109.2
121L28.8Very low29.5Very low157 Ų157152.1 Ų152.182%0.82278%0.784SS**  trans-138.7121.2155.7-79.1171.1000109.4
122S28.9Very low29.9Very low117 Ų117148.7 Ų148.782%0.81877%0.774SS**  trans-56.3137-17140.10000115
123Y27.9Very low30.4Very low223 Ų223151.1 Ų151.188%0.87579%0.787SS**  trans-79.4119164.6-90.8-95.3000109.9
124N32.3Very low31.1Very low165 Ų165150.9 Ų150.988%0.88277%0.774SS**  trans-115.8112.8154.3-106.6-18000109
125R28.8Very low31.3Very low227 Ų227153 Ų15386%0.85777%0.77SS**  trans-72.1119.1174.8-74.6178.4-172.2173.32.1109.6
126Q32.3Very low31.3Very low192 Ų192150.8 Ų150.890%0.89776%0.756SS**  trans-145113.5144.4-98.5174.517.900108.5R128Q126-R128 PolarHBondContact O-N 3.04Å
127S28.8Very low31.4Very low126 Ų126153.2 Ų153.288%0.88176%0.756SS**  trans-64.1114.6-175.8-43.30000111.4
128R31.6Very low31.5Very low230 Ų230154.5 Ų154.587%0.86875%0.753SS**  trans-132.9115.3156.3-90.6-176.8170172.7-2.6107.2Q126 V130Q126-R128 PolarHBondContact O-N 3.04Å; R128-V130 PolarHBondContact O-N 2.82Å; R128-V130 VanDerWaalsContact O-N 3.16Å
129E32.6Very low31.5Very low201 Ų201154.5 Ų154.594%0.93976%0.755SS**  trans-63.8110.9172.1-70.1176.9166.400108.5
130V33.8Very low31.4Very low81 Ų81156.3 Ų156.349%0.49175%0.753SS.*  trans-96.1124.2172.4-179.20000107.2R128 L132 Q134R128-V130 PolarHBondContact O-N 2.82Å; R128-V130 VanDerWaalsContact O-N 3.16Å; V130-L132 PolarHBondContact O-N 3.44Å; V130-Q134 HydrophobicContact CG1-CB 3.99Å
131P32.2Very low31.6Very low77 Ų77153.2 Ų153.250%0.574%0.741SS.*  trans-55.1132.7177.1-22.331.5000111N133 Q134P131-N133 PolarHBondContact O-N 3.01Å; P131-Q134 PolarHBondContact O-N 3.24Å
132L37.2Very low31.5Very low114 Ų114149.4 Ų149.460%0.59773%0.726SS**G310 helixtrans-53.1-25.2-173.2-161.571.8000113.5V130 Q134 L135V130-L132 PolarHBondContact O-N 3.44Å; L132-Q134 VanDerWaalsContact C-N 3.25Å; L132-Q134 PolarHBondContact O-N 3.4Å; L132-L135 HydrophobicContact CD1-CD1 4.29Å; L132-L135 PolarHBondContact O-N 2.93Å
133N40.3Very low31.5Very low137 Ų137150.6 Ų150.673%0.73373%0.731SS**G310 helixtrans-69.3-20.1-179.4-32.323000112.5P131P131-N133 PolarHBondContact O-N 3.01Å
134Q40.3Very low31.7Very low130 Ų130142.5 Ų142.561%0.60772%0.716SS**G310 helixtrans-93.2-3177.3-69.7-178.93.300113.3V130 P131 L132V130-Q134 HydrophobicContact CG1-CB 3.99Å; P131-Q134 PolarHBondContact O-N 3.24Å; L132-Q134 VanDerWaalsContact C-N 3.25Å; L132-Q134 PolarHBondContact O-N 3.4Å
135L33.2Very low31.6Very low110 Ų110139.1 Ų139.158%0.57670%0.701SS**SBendtrans-90.71.2176.8-76.5162.2000113.5L132L132-L135 HydrophobicContact CD1-CD1 4.29Å; L132-L135 PolarHBondContact O-N 2.93Å
136Y28.6Very low31.9Very low115 Ų115130.3 Ų130.345%0.45168%0.677SS.*  trans-109.4104.9177.9-62.7-58.7000110.8P103P103-Y136 HydrophobicContact CB-CD1 4.3Å; P103-Y136 HydrophobicContact CB-CE1 4.48Å; P103-Y136 VanDerWaalsContact CD-CD1 3.49Å; P103-Y136 HydrophobicContact CG-CD1 3.71Å; P103-Y136 HydrophobicContact CG-CE1 3.46Å; P103-Y136 VanDerWaalsContact CG-CE1 3.46Å
137F29.4Very low32.1Very low176 Ų176128.4 Ų128.477%0.77267%0.668SS**  trans-96.1127.3167.1-60.6-83.8000108.8Q139F137-Q139 PolarHBondContact O-N 3.41Å
138E30.6Very low32.3Very low163 Ų163126.7 Ų126.776%0.76266%0.661SS**  trans-66.399.9172-167.9-175.2-148.700108.9K140E138-K140 PolarHBondContact O-N 3.14Å; E138-K140 VanDerWaalsContact OE2-CE 3.25Å; E138-K140 WeakPolarHBondContact OE2-CE 3.23Å; E138-K140 IonicContact OE2-NZ 3.47Å
139Q26.7Very low32.6Very low190 Ų190118.8 Ų118.889%0.88865%0.645SS**  trans-75.3104.9175.8-75.6-174.1-20.200109.6F137F137-Q139 PolarHBondContact O-N 3.41Å
140K29.8Very low33.5Very low162 Ų162110.7 Ų110.770%0.70461%0.609SS**PPolyproline II helixtrans-86.3123.6166.5-63.9-176.3-178.7176.90108.6E138E138-K140 PolarHBondContact O-N 3.14Å; E138-K140 VanDerWaalsContact OE2-CE 3.25Å; E138-K140 WeakPolarHBondContact OE2-CE 3.23Å; E138-K140 IonicContact OE2-NZ 3.47Å
141L29.2Very low34.7Very low124 Ų124112 Ų11265%0.64961%0.61SS**PPolyproline II helixtrans-56.5133.3169.6-85.8145.9000109.2
142P26.8Very low36Very low78 Ų78110.7 Ų110.751%0.50660%0.602SS.*PPolyproline II helixtrans-60130.4172.9-15.526.6000109.5G144 V145P142-G144 PolarHBondContact O-N 3.33Å; P142-V145 HydrophobicContact CB-CG2 3.99Å; P142-V145 HydrophobicContact CG-CG2 4.15Å; P142-V145 PolarHBondContact O-N 3.28Å
143P29.3Very low37.5Very low141 Ų141108.1 Ų108.192%0.91658%0.584SS**THydrogen-bonded Turntrans-65.7113176.827-30.3000107.9
144G32Very low39.1Very low54 Ų54102.1 Ų102.156%0.55755%0.552SS**THydrogen-bonded Turntrans125-12.2-179.900000116.2P142P142-G144 PolarHBondContact O-N 3.33Å
145V30.5Very low40.7Very low94 Ų9496 Ų9657%0.5752%0.523SS*.THydrogen-bonded Turntrans-90.3-22.2177-1710000112.1P142P142-V145 HydrophobicContact CB-CG2 3.99Å; P142-V145 HydrophobicContact CG-CG2 4.15Å; P142-V145 PolarHBondContact O-N 3.28Å
146A34.2Very low43Very low42 Ų4291 Ų9135%0.34750%0.497SS..Hα-helixtrans-79.6-22.7-176.700000114.3T150A146-T150 WeakPolarHBondContact O-CB 3.3Å; A146-T150 PolarHBondContact O-OG1 3.3Å
147E36.2Very low45.4Very low152 Ų15286.2 Ų86.271%0.7148%0.481SS*.Hα-helixtrans-83.9-33.9-167.9-72.9170.7162.800113.2
148A33.3Very low47.5Very low90 Ų9078.6 Ų78.674%0.74445%0.45SS*.Hα-helixtrans-85.7-27.4-178.800000114.1
149A38.1Very low49.4Very low63 Ų6371.9 Ų71.952%0.52142%0.421SS..Hα-helixtrans-87.8-10.8-178.200000113.9R153A149-R153 WeakPolarHBondContact O-CD 3.39Å; A149-R153 VanDerWaalsContact O-CG 3.32Å; A149-R153 WeakPolarHBondContact O-CG 3.39Å
150T53Low51.6Low32 Ų3264.4 Ų64.420%0.19638%0.384CS..SBendtrans-91.8-14.8-173.3-54.50000113.2A146 C152 R153A146-T150 WeakPolarHBondContact O-CB 3.3Å; A146-T150 PolarHBondContact O-OG1 3.3Å; T150-C152 VanDerWaalsContact C-N 3.32Å; T150-C152 PolarHBondContact O-N 3.21Å; T150-R153 PolarHBondContact O-N 3.3Å
151E57.9Low53.5Low108 Ų10859.6 Ų59.651%0.50537%0.366SS..THydrogen-bonded Turntrans-66.3-32.5-168.1-66.2-163.9154.500113.8T184 S185E151-T184 HydrophobicContact CB-CG2 3.99Å; E151-T184 CarbonylContact O-C 3.54Å; E151-T184 WeakPolarHBondContact O-CA 2.91Å; E151-S185 PolarHBondContact O-N 2.9Å
152C59.3Low55.4Low49 Ų4958.7 Ų58.733%0.33136%0.358SS..THydrogen-bonded Turntrans-102.17.3178.2-60.50000113.8T150 R188T150-C152 VanDerWaalsContact C-N 3.32Å; T150-C152 PolarHBondContact O-N 3.21Å; C152-R188 VanDerWaalsContact C-NH2 3.33Å; C152-R188 PolarHBondContact O-NH2 3.33Å
153R69.6Low57.4Low60 Ų6056.2 Ų56.223%0.22634%0.342CS..  trans-78.4162.2177.7-59.4-174.278.3153.62.7111.6A149 T150 S158 S159 R160 D161 R188A149-R153 WeakPolarHBondContact O-CD 3.39Å; A149-R153 VanDerWaalsContact O-CG 3.32Å; A149-R153 WeakPolarHBondContact O-CG 3.39Å; T150-R153 PolarHBondContact O-N 3.3Å; R153-S158 VanDerWaalsContact CB-O 3.31Å; R153-S158 WeakPolarHBondContact CB-O 3.28Å; R153-S158 WeakPolarHBondContact CD-O 3.17Å; R153-S158 PolarHBondContact NE-O 3.19Å; R153-S158 VanDerWaalsContact NE-O 3.11Å; R153-S159 PolarHBondContact NH2-O 2.95Å; R153-R160 CarbonylContact C-O 3.53Å; R153-R160 WeakPolarHBondContact CA-O 3.33Å; R153-R160 WeakPolarHBondContact CB-O 3.49Å; R153-D161 HydrophobicContact CG-CB 4.19Å; R153-D161 IonicContact CZ-OD2 3.74Å; R153-D161 IonicContact NE-OD2 3.2Å; R153-D161 PolarHBondContact NE-OD2 3.27Å; R153-D161 IonicContact NH2-OD2 3.83Å; R153-R188 PolarHBondContact O-NH1 3.47Å
154Y73.6Confident59.2Low12 Ų1249.8 Ų49.85%0.04730%0.3CS..BIsolated β-bridgetrans-147.9-170.7175.148.4-93.3000110.1S158 S159 R160 H162 V163 F164 D181 L420Y154-S158 CarbonylContact O-C 3.53Å; Y154-S158 WeakPolarHBondContact O-CA 3.46Å; Y154-S159 PolarHBondContact O-N 3.45Å; Y154-R160 HydrophobicContact CD2-CB 4.39Å; Y154-R160 HydrophobicContact CE2-CB 4.45Å; Y154-R160 PolarHBondContact N-O 3.23Å; Y154-R160 WeakPolarHBondContact O-CA 3.11Å; Y154-R160 WeakPolarHBondContact O-CB 3.44Å; Y154-R160 PolarHBondContact O-N 2.63Å; Y154-R160 VanDerWaalsContact O-O 3.09Å; Y154-H162 PolarHBondContact OH-N 3.2Å; Y154-V163 HydrophobicContact CE2-CB 4.04Å; Y154-V163 HydrophobicContact CE2-CG2 4.15Å; Y154-V163 WeakPolarHBondContact OH-CB 3.37Å; Y154-V163 PolarHBondContact OH-N 3.06Å; Y154-F164 HydrophobicContact CD2-CE2 4.31Å; Y154-F164 AromaticContact CE2-CD2 3.8Å; Y154-F164 HydrophobicContact CE2-CD2 3.8Å; Y154-F164 AromaticContact CE2-CE2 3.7Å; Y154-F164 HydrophobicContact CE2-CE2 3.7Å; Y154-F164 AromaticContact CZ-CD2 3.69Å; Y154-F164 WeakPolarHBondContact OH-CD2 3.4Å; Y154-F164 PolarHBondContact OH-N 2.82Å; Y154-D181 WeakPolarHBondContact CE1-OD1 3.5Å; Y154-D181 VanDerWaalsContact CZ-OD1 3.24Å; Y154-D181 PolarHBondContact OH-OD1 2.87Å; Y154-L420 HydrophobicContact CD2-CD1 4.46Å; Y154-L420 HydrophobicContact CD2-CD2 4.01Å; Y154-L420 HydrophobicContact CE2-CD1 4.4Å; Y154-L420 HydrophobicContact CE2-CD2 3.84Å
155G74Confident60.9Low0 Ų051.4 Ų51.40%030%0.295CS..SBendtrans84.2-176.7-173.600000112.5A157 S158 I315 L420 Y421G155-A157 PolarHBondContact O-N 2.82Å; G155-A157 VanDerWaalsContact O-N 3.14Å; G155-S158 PolarHBondContact O-N 3.14Å; G155-S158 VanDerWaalsContact O-N 3.1Å; G155-I315 WeakPolarHBondContact O-CD1 3.46Å; G155-L420 CarbonylContact C-O 3.44Å; G155-L420 WeakPolarHBondContact CA-O 3.15Å; G155-Y421 VanDerWaalsContact CA-CZ 3.43Å; G155-Y421 PolarHBondContact N-OH 3.09Å; G155-Y421 WeakPolarHBondContact O-CE1 3.5Å
156F81.3Confident62.6Low6 Ų652.5 Ų52.53%0.02629%0.294CS..G310 helixtrans-52119.4176.6174.4-90.6000109.8S158 S159 V267 V269 L420 Y421 D424 Y425 W428F156-S158 PolarHBondContact O-N 2.99Å; F156-S158 VanDerWaalsContact O-N 3.12Å; F156-S159 WeakPolarHBondContact O-CB 3.44Å; F156-S159 PolarHBondContact O-N 3.47Å; F156-S159 PolarHBondContact O-OG 3.28Å; F156-V267 HydrophobicContact CD1-CG1 4.13Å; F156-V267 HydrophobicContact CE1-CG1 3.29Å; F156-V267 HydrophobicContact CZ-CG1 3.8Å; F156-V269 HydrophobicContact CE1-CG2 3.47Å; F156-V269 VanDerWaalsContact CE1-CG2 3.47Å; F156-V269 HydrophobicContact CZ-CG2 3.41Å; F156-V269 VanDerWaalsContact CZ-CG2 3.41Å; F156-L420 PolarHBondContact N-O 3.24Å; F156-Y421 VanDerWaalsContact N-CD1 3.34Å; F156-D424 HydrophobicContact CB-CB 3.57Å; F156-D424 HydrophobicContact CD1-CB 3.66Å; F156-D424 HydrophobicContact CD2-CB 3.93Å; F156-D424 HydrophobicContact CE1-CB 4.36Å; F156-D424 HydrophobicContact CG-CB 3.42Å; F156-D424 VanDerWaalsContact CG-CB 3.42Å; F156-Y425 AromaticContact CD2-CD1 3.74Å; F156-Y425 HydrophobicContact CD2-CD1 3.74Å; F156-Y425 AromaticContact CD2-CD2 3.83Å; F156-Y425 HydrophobicContact CD2-CD2 3.83Å; F156-Y425 AromaticContact CD2-CE1 3.64Å; F156-Y425 HydrophobicContact CD2-CE1 3.64Å; F156-Y425 AromaticContact CD2-CE2 3.74Å; F156-Y425 HydrophobicContact CD2-CE2 3.74Å; F156-Y425 AromaticContact CD2-CG 3.79Å; F156-Y425 HydrophobicContact CD2-CG 3.79Å; F156-Y425 AromaticContact CD2-CZ 3.6Å; F156-Y425 AromaticContact CE2-CD1 3.54Å; F156-Y425 HydrophobicContact CE2-CD1 3.54Å; F156-Y425 HydrophobicContact CE2-CD2 4.47Å; F156-Y425 AromaticContact CE2-CE1 3.52Å; F156-Y425 HydrophobicContact CE2-CE1 3.52Å; F156-Y425 HydrophobicContact CE2-CE2 4.47Å; F156-Y425 AromaticContact CE2-CG 4Å; F156-Y425 HydrophobicContact CE2-CG 4Å; F156-Y425 AromaticContact CE2-CZ 3.98Å; F156-W428 HydrophobicContact CE1-CB 4.47Å; F156-W428 HydrophobicContact CE2-CB 3.95Å; F156-W428 AromaticContact CE2-CD2 3.95Å; F156-W428 HydrophobicContact CE2-CD2 3.95Å; F156-W428 AromaticContact CE2-CE3 3.76Å; F156-W428 HydrophobicContact CE2-CE3 3.76Å; F156-W428 HydrophobicContact CE2-CG 4.06Å; F156-W428 HydrophobicContact CZ-CB 3.56Å; F156-W428 AromaticContact CZ-CD2 3.65Å; F156-W428 HydrophobicContact CZ-CD2 3.65Å; F156-W428 AromaticContact CZ-CE3 3.97Å; F156-W428 HydrophobicContact CZ-CE3 3.97Å; F156-W428 AromaticContact CZ-CG 3.48Å; F156-W428 HydrophobicContact CZ-CG 3.48Å; F156-W428 VanDerWaalsContact CZ-CG 3.48Å
157A78.5Confident64.1Low14 Ų1453.6 Ų53.612%0.11629%0.291CS..G310 helixtrans46.240.3-177.700000114.2G155 S159 V269 L273G155-A157 PolarHBondContact O-N 2.82Å; G155-A157 VanDerWaalsContact O-N 3.14Å; A157-S159 PolarHBondContact O-N 3.49Å; A157-V269 HydrophobicContact CB-CG1 3.92Å; A157-V269 HydrophobicContact CB-CG2 4.15Å; A157-L273 HydrophobicContact CB-CB 4.38Å; A157-L273 WeakPolarHBondContact O-CD1 3.5Å
158S72.8Confident65.7Low17 Ų1752.3 Ų52.312%0.11928%0.283CS..G310 helixtrans57.132.9-179.1-57.10000113.9R153 Y154 G155 F156R153-S158 VanDerWaalsContact CB-O 3.31Å; R153-S158 WeakPolarHBondContact CB-O 3.28Å; R153-S158 WeakPolarHBondContact CD-O 3.17Å; R153-S158 PolarHBondContact NE-O 3.19Å; R153-S158 VanDerWaalsContact NE-O 3.11Å; Y154-S158 CarbonylContact O-C 3.53Å; Y154-S158 WeakPolarHBondContact O-CA 3.46Å; G155-S158 PolarHBondContact O-N 3.14Å; G155-S158 VanDerWaalsContact O-N 3.1Å; F156-S158 PolarHBondContact O-N 2.99Å; F156-S158 VanDerWaalsContact O-N 3.12Å
159S72Confident67.4Low22 Ų2254.5 Ų54.515%0.15428%0.278CS..  trans-79.2-14.8-175.160.80000114.9R153 Y154 F156 A157R153-S159 PolarHBondContact NH2-O 2.95Å; Y154-S159 PolarHBondContact O-N 3.45Å; F156-S159 WeakPolarHBondContact O-CB 3.44Å; F156-S159 PolarHBondContact O-N 3.47Å; F156-S159 PolarHBondContact O-OG 3.28Å; A157-S159 PolarHBondContact O-N 3.49Å
160R71.3Confident68.6Low32 Ų3251.5 Ų51.512%0.12125%0.253CS..BIsolated β-bridgetrans-119.5153.6-172-52.5-59.8-172.2129.34.2111.9C108 R153 Y154 V163 D419 L420 D424C108-R160 VanDerWaalsContact SG-CZ 3.6Å; C108-R160 PolarHBondContact SG-NH1 2.79Å; R153-R160 CarbonylContact C-O 3.53Å; R153-R160 WeakPolarHBondContact CA-O 3.33Å; R153-R160 WeakPolarHBondContact CB-O 3.49Å; Y154-R160 HydrophobicContact CD2-CB 4.39Å; Y154-R160 HydrophobicContact CE2-CB 4.45Å; Y154-R160 PolarHBondContact N-O 3.23Å; Y154-R160 WeakPolarHBondContact O-CA 3.11Å; Y154-R160 WeakPolarHBondContact O-CB 3.44Å; Y154-R160 PolarHBondContact O-N 2.63Å; Y154-R160 VanDerWaalsContact O-O 3.09Å; R160-V163 HydrophobicContact CB-CG2 4.29Å; R160-D419 PolarHBondContact NH2-O 3.38Å; R160-L420 HydrophobicContact CB-CD2 3.82Å; R160-L420 HydrophobicContact CG-CD2 3.8Å; R160-D424 IonicContact NH2-OD2 3.91Å
161D70.5Confident69.1Low62 Ų6250.1 Ų50.133%0.33225%0.245SC..  trans-151.8163.2171.152.843.6000109.3R153 V163R153-D161 HydrophobicContact CG-CB 4.19Å; R153-D161 IonicContact CZ-OD2 3.74Å; R153-D161 IonicContact NE-OD2 3.2Å; R153-D161 PolarHBondContact NE-OD2 3.27Å; R153-D161 IonicContact NH2-OD2 3.83Å; D161-V163 PolarHBondContact O-N 2.77Å
162H70.2Confident69.6Low104 Ų10451 Ų5148%0.48125%0.253SS..SBendtrans58.316.4171.6-50.296.5000116.2Y154 L165 D181Y154-H162 PolarHBondContact OH-N 3.2Å; H162-L165 HydrophobicContact CB-CD1 4.01Å; H162-L165 HydrophobicContact CB-CG 4.39Å; H162-D181 WeakPolarHBondContact CA-OD1 3.46Å; H162-D181 PolarHBondContact N-OD1 2.78Å
163V68.9Low69.9Low26 Ų2653.1 Ų53.116%0.15826%0.258CS..Hα-helixtrans-68.5-45.1177.3-179.40000110.4Y154 R160 D161 L165 Q166 F167 L416 L420Y154-V163 HydrophobicContact CE2-CB 4.04Å; Y154-V163 HydrophobicContact CE2-CG2 4.15Å; Y154-V163 WeakPolarHBondContact OH-CB 3.37Å; Y154-V163 PolarHBondContact OH-N 3.06Å; R160-V163 HydrophobicContact CB-CG2 4.29Å; D161-V163 PolarHBondContact O-N 2.77Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 3.15Å; V163-Q166 PolarHBondContact O-N 3.31Å; V163-F167 HydrophobicContact CG1-CD2 4.44Å; V163-F167 WeakPolarHBondContact O-CD2 3.41Å; V163-L416 HydrophobicContact CG1-CD2 4.49Å; V163-L420 HydrophobicContact CB-CD2 4.22Å; V163-L420 HydrophobicContact CG1-CD2 4.25Å; V163-L420 HydrophobicContact CG2-CD2 3.77Å
164F65.9Low69.7Low7 Ų750.4 Ų50.43%0.03125%0.248CC..Hα-helixtrans-76.4-17.4-176.9-66.9-73.2000113.9Y154 Q166 F167 K168 I175 P180 D181 L416 L420Y154-F164 HydrophobicContact CD2-CE2 4.31Å; Y154-F164 AromaticContact CE2-CD2 3.8Å; Y154-F164 HydrophobicContact CE2-CD2 3.8Å; Y154-F164 AromaticContact CE2-CE2 3.7Å; Y154-F164 HydrophobicContact CE2-CE2 3.7Å; Y154-F164 AromaticContact CZ-CD2 3.69Å; Y154-F164 WeakPolarHBondContact OH-CD2 3.4Å; Y154-F164 PolarHBondContact OH-N 2.82Å; F164-Q166 PolarHBondContact O-N 2.93Å; F164-F167 CarbonylContact O-C 3.21Å; F164-F167 PolarHBondContact O-N 3.37Å; F164-F167 VanDerWaalsContact O-N 3.13Å; F164-K168 PolarHBondContact O-N 3.36Å; F164-I175 HydrophobicContact CD1-CD1 4.15Å; F164-I175 HydrophobicContact CD2-CD1 3.85Å; F164-I175 HydrophobicContact CE1-CD1 3.64Å; F164-I175 HydrophobicContact CE1-CG1 4.35Å; F164-I175 HydrophobicContact CE2-CD1 3.3Å; F164-I175 HydrophobicContact CG-CD1 4.26Å; F164-I175 HydrophobicContact CZ-CD1 3.2Å; F164-I175 HydrophobicContact CZ-CG1 4.2Å; F164-P180 HydrophobicContact CB-CG 3.8Å; F164-P180 HydrophobicContact CD2-CG 3.6Å; F164-P180 HydrophobicContact CE2-CG 4.46Å; F164-P180 HydrophobicContact CG-CG 3.8Å; F164-D181 PolarHBondContact N-OD2 2.94Å; F164-L416 HydrophobicContact CE1-CD1 4.38Å; F164-L420 HydrophobicContact CE2-CD1 3.79Å; F164-L420 HydrophobicContact CZ-CD1 3.68Å
165L68.8Low69.5Low87 Ų8750.8 Ų50.846%0.45525%0.25SS..Hα-helixtrans-55.3-36.2168.3-70.3-169.5000113.1H162 V163 D181H162-L165 HydrophobicContact CB-CD1 4.01Å; H162-L165 HydrophobicContact CB-CG 4.39Å; V163-L165 VanDerWaalsContact C-N 3.33Å; V163-L165 PolarHBondContact O-N 3.15Å; L165-D181 HydrophobicContact CD2-CB 4.22Å; L165-D181 HydrophobicContact CG-CB 4.28Å; L165-D181 WeakPolarHBondContact CG-OD2 3.24Å; L165-D181 PolarHBondContact N-OD2 3.45Å
166Q65.1Low69.3Low117 Ų11753.3 Ų53.355%0.54726%0.264SS..Hα-helixtrans-86.9-20.4179.8-63.1178.617.500112.5V163 F164V163-Q166 PolarHBondContact O-N 3.31Å; F164-Q166 PolarHBondContact O-N 2.93Å
167F65.3Low68.9Low66 Ų6653.1 Ų53.129%0.28926%0.263SS..  trans-126.659.2-175.7-60.7-77.6000110.9V163 F164 E169 A170 S171 F413 L416V163-F167 HydrophobicContact CG1-CD2 4.44Å; V163-F167 WeakPolarHBondContact O-CD2 3.41Å; F164-F167 CarbonylContact O-C 3.21Å; F164-F167 PolarHBondContact O-N 3.37Å; F164-F167 VanDerWaalsContact O-N 3.13Å; F167-E169 VanDerWaalsContact C-N 3.3Å; F167-E169 PolarHBondContact O-N 3.37Å; F167-A170 HydrophobicContact CB-CB 3.67Å; F167-A170 WeakPolarHBondContact O-CA 3.5Å; F167-A170 VanDerWaalsContact O-CB 3.29Å; F167-A170 WeakPolarHBondContact O-CB 3.39Å; F167-A170 PolarHBondContact O-N 3.07Å; F167-S171 PolarHBondContact O-N 3Å; F167-F413 HydrophobicContact CD1-CD1 4.4Å; F167-F413 HydrophobicContact CD1-CE1 4.35Å; F167-L416 HydrophobicContact CB-CD1 4.26Å; F167-L416 HydrophobicContact CD2-CD1 4.35Å; F167-L416 HydrophobicContact CD2-CD2 4.31Å; F167-L416 HydrophobicContact CE2-CD2 4.25Å; F167-L416 HydrophobicContact CG-CD1 4.24Å
168K69.8Low68.7Low125 Ų12557.4 Ų57.454%0.54328%0.284SS..Hα-helixtrans-58.3-42.4179.7-69.9-168.7173.8-163.20112.6F164 A170 S171 D172F164-K168 PolarHBondContact O-N 3.36Å; K168-A170 PolarHBondContact O-N 3.12Å; K168-S171 WeakPolarHBondContact O-CA 3.39Å; K168-S171 VanDerWaalsContact O-CB 3.24Å; K168-S171 WeakPolarHBondContact O-CB 3.41Å; K168-S171 PolarHBondContact O-N 3.25Å; K168-D172 PolarHBondContact O-N 2.96Å; K168-D172 VanDerWaalsContact O-N 3.14Å
169E69.8Low68.7Low135 Ų13560.4 Ų60.463%0.63130%0.299SS*.Hα-helixtrans-58.9-35.8174.8-63.8172.9-179.400112.1F167 Q173 F413F167-E169 VanDerWaalsContact C-N 3.3Å; F167-E169 PolarHBondContact O-N 3.37Å; E169-Q173 WeakPolarHBondContact O-CG 3.27Å; E169-Q173 PolarHBondContact O-N 3.06Å; E169-F413 HydrophobicContact CB-CE2 4.3Å; E169-F413 HydrophobicContact CB-CZ 4.28Å
170A63.2Low68.6Low0 Ų059.6 Ų59.60%029%0.293CS..Hα-helixtrans-70.5-36.7173.700000111.9F167 K168 D172 Q173 L174 F413 L416F167-A170 HydrophobicContact CB-CB 3.67Å; F167-A170 WeakPolarHBondContact O-CA 3.5Å; F167-A170 VanDerWaalsContact O-CB 3.29Å; F167-A170 WeakPolarHBondContact O-CB 3.39Å; F167-A170 PolarHBondContact O-N 3.07Å; K168-A170 PolarHBondContact O-N 3.12Å; A170-D172 VanDerWaalsContact C-N 3.34Å; A170-D172 PolarHBondContact O-N 3.29Å; A170-Q173 PolarHBondContact O-N 3.38Å; A170-L174 HydrophobicContact CB-CD1 4.08Å; A170-L174 WeakPolarHBondContact O-CB 3.12Å; A170-L174 WeakPolarHBondContact O-CG 3.34Å; A170-L174 PolarHBondContact O-N 2.94Å; A170-F413 HydrophobicContact CB-CB 3.45Å; A170-F413 VanDerWaalsContact CB-CB 3.45Å; A170-F413 HydrophobicContact CB-CD1 3.77Å; A170-F413 HydrophobicContact CB-CD2 3.92Å; A170-F413 HydrophobicContact CB-CE1 4.48Å; A170-F413 HydrophobicContact CB-CG 3.44Å; A170-F413 VanDerWaalsContact CB-CG 3.44Å; A170-L416 HydrophobicContact CB-CD1 3.75Å
171S64Low68.6Low4 Ų458.9 Ų58.93%0.02829%0.292CS..Hα-helixtrans-57.9-49.2176.9-166.40000110.7F167 K168 Q173 L174 I175 P180F167-S171 PolarHBondContact O-N 3Å; K168-S171 WeakPolarHBondContact O-CA 3.39Å; K168-S171 VanDerWaalsContact O-CB 3.24Å; K168-S171 WeakPolarHBondContact O-CB 3.41Å; K168-S171 PolarHBondContact O-N 3.25Å; S171-Q173 VanDerWaalsContact C-N 3.28Å; S171-Q173 PolarHBondContact O-N 3.23Å; S171-L174 PolarHBondContact O-N 3.33Å; S171-I175 PolarHBondContact O-N 3.23Å; S171-P180 VanDerWaalsContact OG-CD 3.27Å; S171-P180 WeakPolarHBondContact OG-CD 3.48Å
172D67.4Low68.6Low125 Ų12560 Ų6067%0.66830%0.304SS*.Hα-helixtrans-64.8-31.6-177.6-64.7-17.8000112.7K168 A170K168-D172 PolarHBondContact O-N 2.96Å; K168-D172 VanDerWaalsContact O-N 3.14Å; A170-D172 VanDerWaalsContact C-N 3.34Å; A170-D172 PolarHBondContact O-N 3.29Å
173Q65.7Low68.7Low94 Ų9458.7 Ų58.744%0.43930%0.295SS..Hα-helixtrans-88.8-28.4-179.4-67.1-17727.400114E169 A170 S171 R308E169-Q173 WeakPolarHBondContact O-CG 3.27Å; E169-Q173 PolarHBondContact O-N 3.06Å; A170-Q173 PolarHBondContact O-N 3.38Å; S171-Q173 VanDerWaalsContact C-N 3.28Å; S171-Q173 PolarHBondContact O-N 3.23Å; Q173-R308 VanDerWaalsContact O-CZ 3.29Å; Q173-R308 PolarHBondContact O-NE 3.47Å
174L65.6Low69Low3 Ų359.5 Ų59.52%0.01630%0.3CS..Hα-helixtrans-104.5-28.3-171.3-60.4180000113.6A170 S171 R308 F413 V414 L416 F417A170-L174 HydrophobicContact CB-CD1 4.08Å; A170-L174 WeakPolarHBondContact O-CB 3.12Å; A170-L174 WeakPolarHBondContact O-CG 3.34Å; A170-L174 PolarHBondContact O-N 2.94Å; S171-L174 PolarHBondContact O-N 3.33Å; L174-R308 HydrophobicContact CB-CG 4.5Å; L174-R308 HydrophobicContact CD2-CG 4.38Å; L174-R308 VanDerWaalsContact O-CB 3.25Å; L174-R308 WeakPolarHBondContact O-CB 3.39Å; L174-R308 WeakPolarHBondContact O-CG 3.36Å; L174-F413 HydrophobicContact CD1-CB 3.79Å; L174-F413 WeakPolarHBondContact CD1-O 2.96Å; L174-F413 HydrophobicContact CG-CB 4.33Å; L174-V414 HydrophobicContact CD2-CB 4.45Å; L174-V414 HydrophobicContact CD2-CG2 3.74Å; L174-L416 HydrophobicContact CD1-CD1 4.24Å; L174-F417 HydrophobicContact CB-CE2 4.16Å; L174-F417 HydrophobicContact CB-CZ 4.06Å; L174-F417 HydrophobicContact CD1-CE2 4.31Å; L174-F417 HydrophobicContact CD2-CE2 4.16Å; L174-F417 HydrophobicContact CG-CE2 4.46Å
175I69.8Low69.1Low20 Ų2060.5 Ų60.510%0.10331%0.308CS..  trans-127.5127.2-168.6-53.9-176.6000110.1F164 S171 I177 P180 S312F164-I175 HydrophobicContact CD1-CD1 4.15Å; F164-I175 HydrophobicContact CD2-CD1 3.85Å; F164-I175 HydrophobicContact CE1-CD1 3.64Å; F164-I175 HydrophobicContact CE1-CG1 4.35Å; F164-I175 HydrophobicContact CE2-CD1 3.3Å; F164-I175 HydrophobicContact CG-CD1 4.26Å; F164-I175 HydrophobicContact CZ-CD1 3.2Å; F164-I175 HydrophobicContact CZ-CG1 4.2Å; S171-I175 PolarHBondContact O-N 3.23Å; I175-I177 HydrophobicContact CG2-CB 3.91Å; I175-I177 HydrophobicContact CG2-CG1 4.29Å; I175-I177 PolarHBondContact O-N 2.87Å; I175-P180 HydrophobicContact CD1-CG 4.14Å; I175-S312 WeakPolarHBondContact CG2-OG 3.23Å
176D69.2Low69.3Low54 Ų5460.4 Ų60.429%0.28931%0.311SS..SBendtrans-7122.4173-69.6-23.2000113L192 K195 R309D176-L192 HydrophobicContact CB-CD2 4.1Å; D176-K195 HydrophobicContact CB-CD 4.22Å; D176-K195 WeakPolarHBondContact O-CD 3.35Å; D176-K195 VanDerWaalsContact O-CE 3.24Å; D176-K195 WeakPolarHBondContact O-CE 3.3Å; D176-K195 PolarHBondContact O-NZ 2.89Å; D176-R309 IonicContact OD2-NE 3.69Å
177I73.2Confident69.8Low2 Ų259.5 Ų59.51%0.0130%0.303CS..SBendtrans-131.3123.6179.1-60.2176.5000107.9I175 Y183 R188 I191 L192 S312I175-I177 HydrophobicContact CG2-CB 3.91Å; I175-I177 HydrophobicContact CG2-CG1 4.29Å; I175-I177 PolarHBondContact O-N 2.87Å; I177-Y183 HydrophobicContact CG2-CD2 3.7Å; I177-Y183 HydrophobicContact CG2-CE2 4.03Å; I177-R188 HydrophobicContact CD1-CB 3.5Å; I177-R188 HydrophobicContact CD1-CG 3.75Å; I177-I191 HydrophobicContact CG1-CG2 4.31Å; I177-I191 HydrophobicContact CG2-CD1 4.38Å; I177-L192 HydrophobicContact CD1-CD1 3.99Å; I177-L192 HydrophobicContact CD1-CD2 4.31Å; I177-L192 HydrophobicContact CD1-CG 3.89Å; I177-L192 HydrophobicContact CG1-CD2 4.05Å; I177-L192 HydrophobicContact CG1-CG 4.08Å; I177-S312 WeakPolarHBondContact CD1-O 3.19Å; I177-S312 WeakPolarHBondContact CD1-OG 3.2Å; I177-S312 WeakPolarHBondContact CG1-OG 3.38Å
178D74Confident70.3Confident103 Ų10357.1 Ų57.155%0.55129%0.292SS*.SBendtrans-69.7130.4175.9-42.6-31.5000108.4Y183 K195D178-Y183 WeakPolarHBondContact O-CE2 3.11Å; D178-K195 IonicContact OD1-NZ 3.63Å
179D72Confident70.2Confident80 Ų8055.4 Ų55.443%0.42828%0.282SS..SBendtrans48.366.5179.3-65-39.5000114.8D181 C182D179-D181 PolarHBondContact O-N 3.17Å; D179-C182 HydrophobicContact CB-CB 4.31Å; D179-C182 WeakPolarHBondContact O-CB 3.31Å; D179-C182 PolarHBondContact O-N 2.92Å
180P71.3Confident70.6Confident5 Ų553.4 Ų53.43%0.03227%0.272CS..G310 helixtrans-60-24.5-17625.4-35.5000113.6F164 S171 I175 C182 R188F164-P180 HydrophobicContact CB-CG 3.8Å; F164-P180 HydrophobicContact CD2-CG 3.6Å; F164-P180 HydrophobicContact CE2-CG 4.46Å; F164-P180 HydrophobicContact CG-CG 3.8Å; S171-P180 VanDerWaalsContact OG-CD 3.27Å; S171-P180 WeakPolarHBondContact OG-CD 3.48Å; I175-P180 HydrophobicContact CD1-CG 4.14Å; P180-C182 PolarHBondContact O-N 3.45Å; P180-R188 VanDerWaalsContact O-CZ 3.26Å; P180-R188 PolarHBondContact O-NE 3.4Å; P180-R188 PolarHBondContact O-NH2 3.33Å
181D70Confident71.2Confident18 Ų1854.3 Ų54.310%0.09628%0.277CS..G310 helixtrans-64.7-24.8176.5-68.1-54.4000113.3Y154 H162 F164 L165 D179Y154-D181 WeakPolarHBondContact CE1-OD1 3.5Å; Y154-D181 VanDerWaalsContact CZ-OD1 3.24Å; Y154-D181 PolarHBondContact OH-OD1 2.87Å; H162-D181 WeakPolarHBondContact CA-OD1 3.46Å; H162-D181 PolarHBondContact N-OD1 2.78Å; F164-D181 PolarHBondContact N-OD2 2.94Å; L165-D181 HydrophobicContact CD2-CB 4.22Å; L165-D181 HydrophobicContact CG-CB 4.28Å; L165-D181 WeakPolarHBondContact CG-OD2 3.24Å; L165-D181 PolarHBondContact N-OD2 3.45Å; D179-D181 PolarHBondContact O-N 3.17Å
182C72.3Confident71.6Confident86 Ų8654.4 Ų54.458%0.58128%0.277SS*.G310 helixtrans-88-10.1-174.8-66.10000113.9D179 P180D179-C182 HydrophobicContact CB-CB 4.31Å; D179-C182 WeakPolarHBondContact O-CB 3.31Å; D179-C182 PolarHBondContact O-N 2.92Å; P180-C182 PolarHBondContact O-N 3.45Å
183Y72.3Confident71.9Confident75 Ų7555.5 Ų55.529%0.29427%0.273SS..SBendtrans-114.1140.4-172.1-63.9-53.8000112.9I177 D178 R187 R188 I191I177-Y183 HydrophobicContact CG2-CD2 3.7Å; I177-Y183 HydrophobicContact CG2-CE2 4.03Å; D178-Y183 WeakPolarHBondContact O-CE2 3.11Å; Y183-R187 HydrophobicContact CD1-CB 4.36Å; Y183-R187 HydrophobicContact CD1-CG 3.54Å; Y183-R187 HydrophobicContact CE1-CG 4.22Å; Y183-R187 HydrophobicContact CG-CG 4.05Å; Y183-R188 VanDerWaalsContact O-CZ 3.29Å; Y183-R188 PolarHBondContact O-NE 3.31Å; Y183-R188 PolarHBondContact O-NH2 2.89Å; Y183-I191 HydrophobicContact CD1-CD1 4.33Å; Y183-I191 HydrophobicContact CD2-CD1 3.84Å; Y183-I191 HydrophobicContact CE1-CD1 4.28Å; Y183-I191 HydrophobicContact CE2-CD1 3.74Å; Y183-I191 HydrophobicContact CG-CD1 4.13Å
184T74.2Confident72.7Confident44 Ų4454.9 Ų54.927%0.2727%0.27SS..  trans-66155.3168.665.80000110.8E151 T186 R187 R188E151-T184 HydrophobicContact CB-CG2 3.99Å; E151-T184 CarbonylContact O-C 3.54Å; E151-T184 WeakPolarHBondContact O-CA 2.91Å; T184-T186 PolarHBondContact O-N 2.89Å; T184-T186 VanDerWaalsContact O-N 3.14Å; T184-R187 PolarHBondContact O-N 2.72Å; T184-R187 PolarHBondContact OG1-N 2.86Å; T184-R188 WeakPolarHBondContact O-CG 3.37Å; T184-R188 PolarHBondContact O-N 2.89Å
185S68.3Low73.1Confident28 Ų2858.1 Ų58.120%0.19628%0.284CS..Hα-helixtrans-49.8-39.3174.2580000113.4E151 R189E151-S185 PolarHBondContact O-N 2.9Å; S185-R189 PolarHBondContact O-N 2.89Å; S185-R189 VanDerWaalsContact O-N 3.16Å
186T72Confident73.1Confident84 Ų8458.1 Ų58.152%0.51528%0.284SS..Hα-helixtrans-64.6-44.9175.3-55.60000112T184 R189 Q190T184-T186 PolarHBondContact O-N 2.89Å; T184-T186 VanDerWaalsContact O-N 3.14Å; T186-R189 WeakPolarHBondContact O-CB 3.47Å; T186-R189 PolarHBondContact O-N 3.36Å; T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å
187R76.8Confident73.4Confident99 Ų9962.6 Ų62.637%0.37430%0.297SS..Hα-helixtrans-67.8-42180-176.857.7-179.6158.66.5111.7Y183 T184 R189 Q190 I191Y183-R187 HydrophobicContact CD1-CB 4.36Å; Y183-R187 HydrophobicContact CD1-CG 3.54Å; Y183-R187 HydrophobicContact CE1-CG 4.22Å; Y183-R187 HydrophobicContact CG-CG 4.05Å; T184-R187 PolarHBondContact O-N 2.72Å; T184-R187 PolarHBondContact OG1-N 2.86Å; R187-R189 VanDerWaalsContact C-N 3.28Å; R187-R189 PolarHBondContact O-N 3.32Å; R187-Q190 WeakPolarHBondContact O-CB 3.33Å; R187-Q190 PolarHBondContact O-N 3.39Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; R187-I191 HydrophobicContact CG-CD1 4.09Å; R187-I191 WeakPolarHBondContact O-CG1 3.19Å; R187-I191 PolarHBondContact O-N 3.43Å
188R75.3Confident73.8Confident16 Ų1668.2 Ų68.26%0.0633%0.326CS..Hα-helixtrans-54.2-45.3173-69.6-172.2-158.4131.37111.9C152 R153 I177 P180 Y183 T184 Q190 I191 L192C152-R188 VanDerWaalsContact C-NH2 3.33Å; C152-R188 PolarHBondContact O-NH2 3.33Å; R153-R188 PolarHBondContact O-NH1 3.47Å; I177-R188 HydrophobicContact CD1-CB 3.5Å; I177-R188 HydrophobicContact CD1-CG 3.75Å; P180-R188 VanDerWaalsContact O-CZ 3.26Å; P180-R188 PolarHBondContact O-NE 3.4Å; P180-R188 PolarHBondContact O-NH2 3.33Å; Y183-R188 VanDerWaalsContact O-CZ 3.29Å; Y183-R188 PolarHBondContact O-NE 3.31Å; Y183-R188 PolarHBondContact O-NH2 2.89Å; T184-R188 WeakPolarHBondContact O-CG 3.37Å; T184-R188 PolarHBondContact O-N 2.89Å; R188-Q190 PolarHBondContact O-N 3.09Å; R188-I191 PolarHBondContact O-N 2.96Å; R188-L192 WeakPolarHBondContact O-CG 3.3Å; R188-L192 PolarHBondContact O-N 3.34Å
189R68.5Low73.7Confident88 Ų8867 Ų6733%0.33232%0.316SS..Hα-helixtrans-61.2-41.9177.6-172.3-179-63169.91.4112.7S185 T186 R187 L192 Y193 G313 R316S185-R189 PolarHBondContact O-N 2.89Å; S185-R189 VanDerWaalsContact O-N 3.16Å; T186-R189 WeakPolarHBondContact O-CB 3.47Å; T186-R189 PolarHBondContact O-N 3.36Å; R187-R189 VanDerWaalsContact C-N 3.28Å; R187-R189 PolarHBondContact O-N 3.32Å; R189-L192 PolarHBondContact O-N 3.48Å; R189-Y193 WeakPolarHBondContact O-CB 3.29Å; R189-Y193 PolarHBondContact O-N 3.36Å; R189-G313 PolarHBondContact NE-O 2.9Å; R189-G313 VanDerWaalsContact NE-O 3.08Å; R189-R316 PolarHBondContact NH2-O 3.02Å
190Q77.4Confident73.7Confident93 Ų9366.7 Ų66.744%0.43531%0.311SS..Hα-helixtrans-63.3-47.2177.5-71.5173.5-1300111.5T186 R187 R188 L192 Y193 E194T186-Q190 PolarHBondContact O-N 3.12Å; T186-Q190 VanDerWaalsContact O-N 3.15Å; R187-Q190 WeakPolarHBondContact O-CB 3.33Å; R187-Q190 PolarHBondContact O-N 3.39Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; R188-Q190 PolarHBondContact O-N 3.09Å; Q190-L192 VanDerWaalsContact C-N 3.28Å; Q190-L192 PolarHBondContact O-N 2.85Å; Q190-Y193 WeakPolarHBondContact O-CB 3.22Å; Q190-Y193 PolarHBondContact O-N 3.29Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; Q190-E194 WeakPolarHBondContact O-CG 3.49Å; Q190-E194 PolarHBondContact O-N 3.09Å
191I75.9Confident73.9Confident20 Ų2068.3 Ų68.310%0.10332%0.323CS..Hα-helixtrans-57.9-44.3178.2-66.3165.7000110.5I177 Y183 R187 R188 E194 K195I177-I191 HydrophobicContact CG1-CG2 4.31Å; I177-I191 HydrophobicContact CG2-CD1 4.38Å; Y183-I191 HydrophobicContact CD1-CD1 4.33Å; Y183-I191 HydrophobicContact CD2-CD1 3.84Å; Y183-I191 HydrophobicContact CE1-CD1 4.28Å; Y183-I191 HydrophobicContact CE2-CD1 3.74Å; Y183-I191 HydrophobicContact CG-CD1 4.13Å; R187-I191 HydrophobicContact CG-CD1 4.09Å; R187-I191 WeakPolarHBondContact O-CG1 3.19Å; R187-I191 PolarHBondContact O-N 3.43Å; R188-I191 PolarHBondContact O-N 2.96Å; I191-E194 PolarHBondContact O-N 2.89Å; I191-K195 HydrophobicContact CG2-CD 4.5Å; I191-K195 WeakPolarHBondContact O-CG 3.19Å; I191-K195 PolarHBondContact O-N 3.46Å
192L72.7Confident74.1Confident6 Ų673.7 Ų73.73%0.03135%0.347CS..Hα-helixtrans-66.6-40.1177-71.8167.1000113.2D176 I177 R188 R189 Q190 E194 K195 E196 S312D176-L192 HydrophobicContact CB-CD2 4.1Å; I177-L192 HydrophobicContact CD1-CD1 3.99Å; I177-L192 HydrophobicContact CD1-CD2 4.31Å; I177-L192 HydrophobicContact CD1-CG 3.89Å; I177-L192 HydrophobicContact CG1-CD2 4.05Å; I177-L192 HydrophobicContact CG1-CG 4.08Å; R188-L192 WeakPolarHBondContact O-CG 3.3Å; R188-L192 PolarHBondContact O-N 3.34Å; R189-L192 PolarHBondContact O-N 3.48Å; Q190-L192 VanDerWaalsContact C-N 3.28Å; Q190-L192 PolarHBondContact O-N 2.85Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.07Å; L192-K195 PolarHBondContact O-N 3.31Å; L192-E196 VanDerWaalsContact O-CB 3.25Å; L192-E196 WeakPolarHBondContact O-CB 2.96Å; L192-E196 WeakPolarHBondContact O-CG 3.16Å; L192-E196 PolarHBondContact O-N 2.86Å; L192-S312 VanDerWaalsContact CD1-CB 3.43Å; L192-S312 VanDerWaalsContact CD1-O 3.25Å; L192-S312 WeakPolarHBondContact CD1-O 3.33Å; L192-S312 WeakPolarHBondContact CD1-OG 3.49Å; L192-S312 WeakPolarHBondContact CD2-OG 3.09Å
193Y73.7Confident74.1Confident147 Ų14775.6 Ų75.658%0.57635%0.352SS*.Hα-helixtrans-61.3-39.7176.6-178-94.6000111.6R189 Q190 E196 R197R189-Y193 WeakPolarHBondContact O-CB 3.29Å; R189-Y193 PolarHBondContact O-N 3.36Å; Q190-Y193 WeakPolarHBondContact O-CB 3.22Å; Q190-Y193 PolarHBondContact O-N 3.29Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; Y193-E196 PolarHBondContact O-N 3.46Å; Y193-R197 WeakPolarHBondContact O-CB 3.19Å; Y193-R197 PolarHBondContact O-N 2.78Å
194E81.3Confident73.8Confident81 Ų8173 Ų7338%0.37935%0.346SS..Hα-helixtrans-63-50.5173.9-70.4165.5-173.400110.8Q190 I191 L192 E196 R197 D198Q190-E194 WeakPolarHBondContact O-CG 3.49Å; Q190-E194 PolarHBondContact O-N 3.09Å; I191-E194 PolarHBondContact O-N 2.89Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.07Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.44Å; E194-R197 PolarHBondContact O-N 2.89Å; E194-D198 WeakPolarHBondContact O-CB 3.19Å; E194-D198 PolarHBondContact O-N 3.07Å
195K74.1Confident73.3Confident71 Ų7174.3 Ų74.331%0.30935%0.346SS..Hα-helixtrans-60.3-40.2176.3-71.9-171.8176.6-170.30112.7D176 D178 I191 L192 D198 K199 Y368D176-K195 HydrophobicContact CB-CD 4.22Å; D176-K195 WeakPolarHBondContact O-CD 3.35Å; D176-K195 VanDerWaalsContact O-CE 3.24Å; D176-K195 WeakPolarHBondContact O-CE 3.3Å; D176-K195 PolarHBondContact O-NZ 2.89Å; D178-K195 IonicContact OD1-NZ 3.63Å; I191-K195 HydrophobicContact CG2-CD 4.5Å; I191-K195 WeakPolarHBondContact O-CG 3.19Å; I191-K195 PolarHBondContact O-N 3.46Å; L192-K195 PolarHBondContact O-N 3.31Å; K195-D198 PolarHBondContact O-N 3.37Å; K195-K199 WeakPolarHBondContact O-CB 3.46Å; K195-K199 PolarHBondContact O-N 3.21Å; K195-Y368 PolarHBondContact O-OH 3.14Å
196E70.2Confident73.3Confident21 Ų2177.3 Ų77.310%0.09836%0.359CS..Hα-helixtrans-61.6-44.9177.3-79.1168.7-14800111.8L192 Y193 E194 F200 R364 Y368L192-E196 VanDerWaalsContact O-CB 3.25Å; L192-E196 WeakPolarHBondContact O-CB 2.96Å; L192-E196 WeakPolarHBondContact O-CG 3.16Å; L192-E196 PolarHBondContact O-N 2.86Å; Y193-E196 PolarHBondContact O-N 3.46Å; E194-E196 VanDerWaalsContact C-N 3.33Å; E194-E196 PolarHBondContact O-N 3.44Å; E196-F200 WeakPolarHBondContact O-CB 3.39Å; E196-F200 PolarHBondContact O-N 3.01Å; E196-R364 HydrophobicContact CG-CG 4.1Å; E196-R364 IonicContact OE1-CZ 2.62Å; E196-R364 IonicContact OE1-NE 3.06Å; E196-R364 PolarHBondContact OE1-NE 3.34Å; E196-R364 IonicContact OE1-NH2 3.81Å; E196-R364 PolarHBondContact OE1-NH2 2.87Å; E196-R364 IonicContact OE2-NE 2.8Å; E196-R364 PolarHBondContact OE2-NE 3.23Å; E196-R364 IonicContact OE2-NH2 2.65Å; E196-Y368 VanDerWaalsContact CA-OH 3.24Å; E196-Y368 WeakPolarHBondContact CA-OH 3.23Å; E196-Y368 HydrophobicContact CB-CE2 4.41Å; E196-Y368 HydrophobicContact CG-CE2 4.12Å; E196-Y368 PolarHBondContact N-OH 2.99Å
197R76.1Confident72.7Confident148 Ų14882.2 Ų82.256%0.55837%0.369SS*.Hα-helixtrans-64.4-41.8175.8-175.9-172.664.8-160.1-6.8111.4Y193 E194 K199 F200Y193-R197 WeakPolarHBondContact O-CB 3.19Å; Y193-R197 PolarHBondContact O-N 2.78Å; E194-R197 PolarHBondContact O-N 2.89Å; R197-K199 VanDerWaalsContact C-N 3.35Å; R197-F200 PolarHBondContact O-N 3.32Å
198D81.3Confident71.9Confident119 Ų11978.8 Ų78.864%0.63636%0.358SS*.Hα-helixtrans-72.9-29.2-176.2-64-8000112.2E194 K195E194-D198 WeakPolarHBondContact O-CB 3.19Å; E194-D198 PolarHBondContact O-N 3.07Å; K195-D198 PolarHBondContact O-N 3.37Å
199K72Confident70.9Confident78 Ų7879.5 Ų79.534%0.33937%0.37SS..Hα-helixtrans-85.9-20.2175.8-177.5147.3159.2-169.80113.5K195 R197 S201 Y368K195-K199 WeakPolarHBondContact O-CB 3.46Å; K195-K199 PolarHBondContact O-N 3.21Å; R197-K199 VanDerWaalsContact C-N 3.35Å; K199-S201 PolarHBondContact O-N 3.37Å; K199-Y368 HydrophobicContact CB-CE1 4.24Å; K199-Y368 HydrophobicContact CB-CE2 3.8Å; K199-Y368 WeakPolarHBondContact CB-OH 3.4Å; K199-Y368 HydrophobicContact CD-CD1 3.59Å; K199-Y368 HydrophobicContact CD-CD2 4.42Å; K199-Y368 HydrophobicContact CD-CE1 3.26Å; K199-Y368 HydrophobicContact CD-CE2 4.11Å; K199-Y368 HydrophobicContact CD-CG 4.17Å; K199-Y368 HydrophobicContact CG-CD1 4.26Å; K199-Y368 HydrophobicContact CG-CD2 4.21Å; K199-Y368 HydrophobicContact CG-CE1 3.95Å; K199-Y368 HydrophobicContact CG-CE2 3.84Å; K199-Y368 HydrophobicContact CG-CG 4.39Å
200F73Confident70Confident74 Ų7479.8 Ų79.833%0.32537%0.374SS..  trans-63.9122.3175.4-178.8-93000110.6E196 R197 E202 Y205 V366E196-F200 WeakPolarHBondContact O-CB 3.39Å; E196-F200 PolarHBondContact O-N 3.01Å; R197-F200 PolarHBondContact O-N 3.32Å; F200-E202 HydrophobicContact CE1-CB 4.14Å; F200-Y205 HydrophobicContact CE2-CD2 4.4Å; F200-Y205 HydrophobicContact CE2-CG 4.46Å; F200-Y205 HydrophobicContact CZ-CD2 4.36Å; F200-Y205 HydrophobicContact CZ-CG 4.03Å; F200-V366 HydrophobicContact CD2-CG1 4.12Å; F200-V366 HydrophobicContact CE2-CB 4.26Å; F200-V366 HydrophobicContact CE2-CG1 3.61Å
201S74.5Confident68.8Low38 Ų3878.3 Ų78.327%0.26637%0.368SS..  trans-106.3110.7175172.90000109.3K199 D203 A204 Y205K199-S201 PolarHBondContact O-N 3.37Å; S201-D203 VanDerWaalsContact C-N 3.3Å; S201-D203 PolarHBondContact O-N 3.02Å; S201-A204 PolarHBondContact O-N 2.71Å; S201-A204 PolarHBondContact OG-N 2.87Å; S201-Y205 PolarHBondContact O-N 3.35Å; S201-Y205 VanDerWaalsContact O-N 3.09Å
202E75.4Confident67.5Low131 Ų13184 Ų8461%0.61239%0.393SS*.Hα-helixtrans-61.5-40.4176.2-173171-171.800111.1F200 A204 Y205 L206F200-E202 HydrophobicContact CE1-CB 4.14Å; E202-A204 PolarHBondContact O-N 3.06Å; E202-Y205 WeakPolarHBondContact O-CB 3.11Å; E202-Y205 PolarHBondContact O-N 3.43Å; E202-L206 HydrophobicContact CG-CD1 3.98Å; E202-L206 HydrophobicContact CG-CG 4.26Å; E202-L206 WeakPolarHBondContact O-CB 3.43Å; E202-L206 VanDerWaalsContact O-CG 3.31Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.47Å
203D71.1Confident66.3Low126 Ų12691.8 Ų91.867%0.67442%0.422SS*.Hα-helixtrans-59.8-45.4176.9-65.9-24.6000112.2S201 L206 W207S201-D203 VanDerWaalsContact C-N 3.3Å; S201-D203 PolarHBondContact O-N 3.02Å; D203-L206 PolarHBondContact O-N 3.41Å; D203-W207 WeakPolarHBondContact O-CB 3.49Å; D203-W207 PolarHBondContact O-N 3.25Å
204A65.5Low65.2Low21 Ų2189.6 Ų89.617%0.17442%0.417CS..Hα-helixtrans-63.6-44.1176.800000111.4S201 E202 L206 W207 D208 R372S201-A204 PolarHBondContact O-N 2.71Å; S201-A204 PolarHBondContact OG-N 2.87Å; E202-A204 PolarHBondContact O-N 3.06Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-L206 PolarHBondContact O-N 3.09Å; A204-W207 PolarHBondContact O-N 3.21Å; A204-D208 PolarHBondContact O-N 2.75Å; A204-R372 HydrophobicContact CB-CB 4.04Å
205Y64.5Low63.6Low72 Ų7288.1 Ų88.128%0.28241%0.413SS..Hα-helixtrans-60.3-43176.6177.6-96.1000112.3F200 S201 E202 G209 V366 A374F200-Y205 HydrophobicContact CE2-CD2 4.4Å; F200-Y205 HydrophobicContact CE2-CG 4.46Å; F200-Y205 HydrophobicContact CZ-CD2 4.36Å; F200-Y205 HydrophobicContact CZ-CG 4.03Å; S201-Y205 PolarHBondContact O-N 3.35Å; S201-Y205 VanDerWaalsContact O-N 3.09Å; E202-Y205 WeakPolarHBondContact O-CB 3.11Å; E202-Y205 PolarHBondContact O-N 3.43Å; Y205-G209 PolarHBondContact O-N 2.83Å; Y205-V366 HydrophobicContact CD2-CB 4.26Å; Y205-V366 HydrophobicContact CD2-CG1 3.42Å; Y205-V366 VanDerWaalsContact CD2-CG1 3.42Å; Y205-V366 HydrophobicContact CD2-CG2 3.88Å; Y205-V366 HydrophobicContact CE2-CG1 4.36Å; Y205-V366 HydrophobicContact CE2-CG2 4.04Å; Y205-V366 HydrophobicContact CG-CG1 4.12Å; Y205-A374 HydrophobicContact CD2-CB 3.24Å; Y205-A374 HydrophobicContact CE1-CB 4.4Å; Y205-A374 HydrophobicContact CE2-CB 3.08Å; Y205-A374 HydrophobicContact CG-CB 4.05Å
206L67.1Low62.5Low90 Ų9090 Ų9047%0.47143%0.433SS..Hα-helixtrans-70.2-41.7178.8-72.2176.9000111.7E202 D203 A204 D208 G209 F210E202-L206 HydrophobicContact CG-CD1 3.98Å; E202-L206 HydrophobicContact CG-CG 4.26Å; E202-L206 WeakPolarHBondContact O-CB 3.43Å; E202-L206 VanDerWaalsContact O-CG 3.31Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.47Å; D203-L206 PolarHBondContact O-N 3.41Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-L206 PolarHBondContact O-N 3.09Å; L206-D208 PolarHBondContact O-N 2.68Å; L206-G209 CarbonylContact O-C 3.46Å; L206-G209 PolarHBondContact O-N 2.94Å; L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.32Å; L206-F210 PolarHBondContact O-N 3.16Å
207W61.4Low61.5Low187 Ų18797.1 Ų97.171%0.70847%0.47SS*.Hα-helixtrans-55.1-41.4179.2-154.5-104.4000111.6D203 A204 F210 L211D203-W207 WeakPolarHBondContact O-CB 3.49Å; D203-W207 PolarHBondContact O-N 3.25Å; A204-W207 PolarHBondContact O-N 3.21Å; W207-F210 PolarHBondContact O-N 3.39Å; W207-L211 PolarHBondContact O-N 3.15Å
208D58.1Low60.1Low28 Ų2896 Ų9615%0.1548%0.475CS..Hα-helixtrans-69.5-30.8177.5-85.8-60.4000114.6A204 L206 S373 T375A204-D208 PolarHBondContact O-N 2.75Å; L206-D208 PolarHBondContact O-N 2.68Å; D208-S373 WeakPolarHBondContact CB-OG 3.47Å; D208-S373 WeakPolarHBondContact OD1-CB 3.44Å; D208-S373 PolarHBondContact OD1-OG 3.34Å; D208-S373 WeakPolarHBondContact OD2-CA 3.33Å; D208-S373 WeakPolarHBondContact OD2-CB 3.07Å; D208-S373 PolarHBondContact OD2-N 2.8Å; D208-S373 VanDerWaalsContact OD2-N 3.1Å; D208-T375 VanDerWaalsContact C-OG1 3.28Å; D208-T375 PolarHBondContact O-OG1 3.47Å
209G54.4Low58.3Low30 Ų3091.1 Ų91.131%0.30945%0.45SS..Hα-helixtrans-81.2-32.3172.600000113Y205 L206 K212Y205-G209 PolarHBondContact O-N 2.83Å; L206-G209 CarbonylContact O-C 3.46Å; L206-G209 PolarHBondContact O-N 2.94Å; G209-K212 WeakPolarHBondContact O-CB 3.29Å; G209-K212 PolarHBondContact O-N 3.39Å
210F50.5Low56.9Low94 Ų9490.9 Ų90.941%0.41246%0.463SS..Hα-helixtrans-69.2-41.6-173.4-160.5-96.8000112L206 W207 K212 W213 E214L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.32Å; L206-F210 PolarHBondContact O-N 3.16Å; W207-F210 PolarHBondContact O-N 3.39Å; F210-K212 PolarHBondContact O-N 3.27Å; F210-W213 AromaticContact CD2-CD1 3.93Å; F210-W213 AromaticContact CD2-NE1 3.21Å; F210-W213 HydrophobicContact CE2-CZ2 4.21Å; F210-W213 AromaticContact CE2-NE1 3.35Å; F210-W213 AromaticContact CG-NE1 3.96Å; F210-W213 PolarHBondContact O-N 3.03Å; F210-E214 HydrophobicContact CE1-CB 4.22Å; F210-E214 WeakPolarHBondContact CE1-OE2 3.31Å; F210-E214 HydrophobicContact CZ-CB 4.32Å; F210-E214 HydrophobicContact CZ-CG 4.24Å; F210-E214 VanDerWaalsContact CZ-OE1 3.27Å; F210-E214 WeakPolarHBondContact CZ-OE1 3.28Å; F210-E214 WeakPolarHBondContact CZ-OE2 3.02Å
211L51.1Low55.6Low62 Ų6294.8 Ų94.833%0.32549%0.487SS..Hα-helixtrans-54.1-20172.3-90.1150.5000113.7W207 L222W207-L211 PolarHBondContact O-N 3.15Å; L211-L222 HydrophobicContact CD2-CB 4.23Å; L211-L222 HydrophobicContact CD2-CD2 4.35Å
212K49.3Very low54.2Low141 Ų14198 Ų9861%0.61350%0.501SS*.Hα-helixtrans-94.2-22.5-176.7-160.6166.3-174.3164.50115G209 F210 T375G209-K212 WeakPolarHBondContact O-CB 3.29Å; G209-K212 PolarHBondContact O-N 3.39Å; F210-K212 PolarHBondContact O-N 3.27Å; K212-T375 HydrophobicContact CD-CG2 3.55Å
213W48.7Very low53Low168 Ų16896.2 Ų96.264%0.63649%0.492SS*.Hα-helixtrans-111-27.9-168.791.7-80.5000115.6F210F210-W213 AromaticContact CD2-CD1 3.93Å; F210-W213 AromaticContact CD2-NE1 3.21Å; F210-W213 HydrophobicContact CE2-CZ2 4.21Å; F210-W213 AromaticContact CE2-NE1 3.35Å; F210-W213 AromaticContact CG-NE1 3.96Å; F210-W213 PolarHBondContact O-N 3.03Å
214E50.2Low52.4Low102 Ų10293.8 Ų93.848%0.47748%0.479SS..SBendtrans-97-13.2-167.7-121.1-178-141.500115.4F210F210-E214 HydrophobicContact CE1-CB 4.22Å; F210-E214 WeakPolarHBondContact CE1-OE2 3.31Å; F210-E214 HydrophobicContact CZ-CB 4.32Å; F210-E214 HydrophobicContact CZ-CG 4.24Å; F210-E214 VanDerWaalsContact CZ-OE1 3.27Å; F210-E214 WeakPolarHBondContact CZ-OE1 3.28Å; F210-E214 WeakPolarHBondContact CZ-OE2 3.02Å
215T48Very low52.2Low50 Ų50100.1 Ų100.131%0.30751%0.505SS..  trans-12858.3-17740.20000114.9L217 L218 S219T215-L217 PolarHBondContact O-N 3.14Å; T215-L218 HydrophobicContact CG2-CB 3.87Å; T215-L218 PolarHBondContact O-N 3.06Å; T215-L218 VanDerWaalsContact O-N 3.11Å; T215-S219 WeakPolarHBondContact O-CB 3.22Å; T215-S219 PolarHBondContact O-N 3.27Å; T215-S219 PolarHBondContact O-OG 3.47Å; T215-S219 VanDerWaalsContact O-OG 3.07Å
216P49.9Very low52.2Low110 Ų110103.4 Ų103.471%0.71452%0.523SS*.THydrogen-bonded Turntrans-57-15.7175.8-20.530.7000115.2
217L49.8Very low52.1Low170 Ų17099.6 Ų99.689%0.8950%0.503SS*.THydrogen-bonded Turntrans-116.2-5.2-177.1-75.6155.5000113.8T215T215-L217 PolarHBondContact O-N 3.14Å
218L46.1Very low52.4Low124 Ų12494.1 Ų94.165%0.64949%0.488SS*.THydrogen-bonded Turntrans-119.1-6.8173.6-102.489000112.6T215 A220T215-L218 HydrophobicContact CG2-CB 3.87Å; T215-L218 PolarHBondContact O-N 3.06Å; T215-L218 VanDerWaalsContact O-N 3.11Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 2.93Å
219S43.4Very low53.2Low18 Ų1897.5 Ų97.513%0.12650%0.503CS..G310 helixtrans-78.5-11.2-174.964.90000114.3T215 D221 L222 H223T215-S219 WeakPolarHBondContact O-CB 3.22Å; T215-S219 PolarHBondContact O-N 3.27Å; T215-S219 PolarHBondContact O-OG 3.47Å; T215-S219 VanDerWaalsContact O-OG 3.07Å; S219-D221 PolarHBondContact O-N 3.31Å; S219-D221 VanDerWaalsContact O-N 3.11Å; S219-L222 CarbonylContact O-C 3.57Å; S219-L222 PolarHBondContact O-N 3.43Å; S219-L222 VanDerWaalsContact O-N 3.09Å; S219-H223 PolarHBondContact O-CD2 3.45Å; S219-H223 PolarHBondContact O-N 3.31Å; S219-H223 PolarHBondContact OG-NE2 3.32Å
220A44Very low54.1Low72 Ų7297 Ų9760%0.59549%0.493SS*.G310 helixtrans-53.2-35.417800000112.2L218L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 2.93Å
221D44.4Very low55.1Low157 Ų15794.2 Ų94.284%0.8448%0.482SS*.G310 helixtrans-102.1-1.1-177.3-58.6-32.3000113.7S219S219-D221 PolarHBondContact O-N 3.31Å; S219-D221 VanDerWaalsContact O-N 3.11Å
222L46.6Very low56.3Low106 Ų10694.9 Ų94.956%0.55550%0.497SS*.THydrogen-bonded Turntrans-126.58.6-179.2-86.9154.9000112.5L211 S219 N224L211-L222 HydrophobicContact CD2-CB 4.23Å; L211-L222 HydrophobicContact CD2-CD2 4.35Å; S219-L222 CarbonylContact O-C 3.57Å; S219-L222 PolarHBondContact O-N 3.43Å; S219-L222 VanDerWaalsContact O-N 3.09Å; L222-N224 PolarHBondContact O-N 2.91Å
223H49.4Very low57.5Low93 Ų9389.1 Ų89.143%0.43147%0.473SS..SBendtrans-54.2128.4162.8-86.1-69.6000106.9S219 E225 D228S219-H223 PolarHBondContact O-CD2 3.45Å; S219-H223 PolarHBondContact O-N 3.31Å; S219-H223 PolarHBondContact OG-NE2 3.32Å; H223-E225 PolarHBondContact O-N 3.4Å; H223-D228 IonicContact ND1-OD2 2.92Å; H223-D228 PolarHBondContact ND1-OD2 2.9Å
224N57.9Low58.7Low75 Ų7589.8 Ų89.840%0.40148%0.483SS..  trans-71.179.2170.1-135.9-6.9000105.2L222 E226 V227 D228L222-N224 PolarHBondContact O-N 2.91Å; N224-E226 PolarHBondContact O-N 2.93Å; N224-V227 HydrophobicContact CB-CB 4.14Å; N224-V227 HydrophobicContact CB-CG2 3.91Å; N224-V227 WeakPolarHBondContact O-CA 3.31Å; N224-V227 PolarHBondContact O-N 3.29Å; N224-D228 PolarHBondContact O-N 3.02Å; N224-D228 VanDerWaalsContact O-N 3.15Å
225E62.1Low59.7Low153 Ų15385.5 Ų85.572%0.71546%0.464SS*.Hα-helixtrans-50.3-33.9-176-69-173.6163.700110.1H223 H229H223-E225 PolarHBondContact O-N 3.4Å; E225-H229 WeakPolarHBondContact O-CB 3.22Å; E225-H229 PolarHBondContact O-N 3.04Å
226E63.7Low61Low141 Ų14183.1 Ų83.166%0.65945%0.449SS*.Hα-helixtrans-57.8-48.9172.2-59.8-177.7173.800112.4N224 H229 L230N224-E226 PolarHBondContact O-N 2.93Å; E226-H229 WeakPolarHBondContact O-CB 3.43Å; E226-H229 PolarHBondContact O-N 3.1Å; E226-L230 WeakPolarHBondContact O-CG 3.44Å; E226-L230 PolarHBondContact O-N 3.32Å
227V65Low62.1Low10 Ų1077.9 Ų77.96%0.06142%0.415CS..Hα-helixtrans-69-42.9-179.2177.80000111.4N224 H229 L230 L231N224-V227 HydrophobicContact CB-CB 4.14Å; N224-V227 HydrophobicContact CB-CG2 3.91Å; N224-V227 WeakPolarHBondContact O-CA 3.31Å; N224-V227 PolarHBondContact O-N 3.29Å; V227-H229 VanDerWaalsContact C-N 3.31Å; V227-H229 PolarHBondContact O-N 2.79Å; V227-L230 PolarHBondContact O-N 3.08Å; V227-L231 HydrophobicContact CG1-CD1 3.88Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 WeakPolarHBondContact O-CG 3.39Å; V227-L231 PolarHBondContact O-N 3.22Å
228D68.1Low63.4Low72 Ų7273 Ų7339%0.38539%0.387SS..Hα-helixtrans-64.8-37.8178-74.4-27.3000111H223 N224 L231 A232H223-D228 IonicContact ND1-OD2 2.92Å; H223-D228 PolarHBondContact ND1-OD2 2.9Å; N224-D228 PolarHBondContact O-N 3.02Å; N224-D228 VanDerWaalsContact O-N 3.15Å; D228-L231 PolarHBondContact O-N 2.86Å; D228-A232 WeakPolarHBondContact O-CB 3.46Å; D228-A232 PolarHBondContact O-N 3.38Å
229H75.7Confident64.7Low99 Ų9973.5 Ų73.546%0.45838%0.38SS..Hα-helixtrans-58.8-51.2170179.9-88.3000111.4E225 E226 V227 L231 A232 L233 D296E225-H229 WeakPolarHBondContact O-CB 3.22Å; E225-H229 PolarHBondContact O-N 3.04Å; E226-H229 WeakPolarHBondContact O-CB 3.43Å; E226-H229 PolarHBondContact O-N 3.1Å; V227-H229 VanDerWaalsContact C-N 3.31Å; V227-H229 PolarHBondContact O-N 2.79Å; H229-L231 VanDerWaalsContact C-N 3.27Å; H229-L231 PolarHBondContact O-N 3.39Å; H229-A232 PolarHBondContact O-N 3.36Å; H229-A232 VanDerWaalsContact O-N 3.1Å; H229-L233 WeakPolarHBondContact O-CG 3.21Å; H229-L233 PolarHBondContact O-N 2.94Å; H229-L233 VanDerWaalsContact O-N 3.17Å; H229-D296 IonicContact CE1-OD2 3.93Å
230L72.3Confident66.1Low21 Ų2174.7 Ų74.711%0.1138%0.382CS..Hα-helixtrans-61.4-33.7179.5-66.2169.5000113E226 V227 L233 R293 I294 F380E226-L230 WeakPolarHBondContact O-CG 3.44Å; E226-L230 PolarHBondContact O-N 3.32Å; V227-L230 PolarHBondContact O-N 3.08Å; L230-L233 HydrophobicContact CD2-CD1 4.21Å; L230-R293 WeakPolarHBondContact CD2-O 3.27Å; L230-R293 PolarHBondContact O-NH1 2.78Å; L230-I294 HydrophobicContact CD1-CD1 4.1Å; L230-F380 HydrophobicContact CB-CE1 4.32Å; L230-F380 HydrophobicContact CB-CZ 3.85Å
231L71.4Confident67.5Low35 Ų3571.9 Ų71.918%0.18336%0.357CS..Hα-helixtrans-72.1-35.9175.1-72.7172.7000112.5V227 D228 H229 L233 P379 F380V227-L231 HydrophobicContact CG1-CD1 3.88Å; V227-L231 HydrophobicContact CG1-CG 4.24Å; V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 WeakPolarHBondContact O-CG 3.39Å; V227-L231 PolarHBondContact O-N 3.22Å; D228-L231 PolarHBondContact O-N 2.86Å; H229-L231 VanDerWaalsContact C-N 3.27Å; H229-L231 PolarHBondContact O-N 3.39Å; L231-L233 VanDerWaalsContact C-N 3.3Å; L231-L233 PolarHBondContact O-N 3.2Å; L231-P379 HydrophobicContact CD1-CG 4.32Å; L231-P379 HydrophobicContact CD2-CB 3.38Å; L231-P379 HydrophobicContact CD2-CG 3.63Å; L231-F380 HydrophobicContact CD2-CD1 3.78Å; L231-F380 HydrophobicContact CD2-CE1 3.46Å; L231-F380 VanDerWaalsContact CD2-CE1 3.46Å; L231-F380 HydrophobicContact CD2-CZ 4.18Å; L231-F380 HydrophobicContact CG-CE1 4Å; L231-F380 HydrophobicContact CG-CZ 4.46Å
232A77.2Confident68.5Low76 Ų7665 Ų6563%0.62832%0.321SS*.Hα-helixtrans-73-19.6178.200000113.4D228 H229 E234D228-A232 WeakPolarHBondContact O-CB 3.46Å; D228-A232 PolarHBondContact O-N 3.38Å; H229-A232 PolarHBondContact O-N 3.36Å; H229-A232 VanDerWaalsContact O-N 3.1Å; A232-E234 PolarHBondContact O-N 3.44Å
233L74.8Confident69.1Low20 Ų2065.5 Ų65.511%0.10533%0.333CS..  trans-60.8121178.8-67.1172.7000112.1H229 L230 L231 S235 P236 R293 D296H229-L233 WeakPolarHBondContact O-CG 3.21Å; H229-L233 PolarHBondContact O-N 2.94Å; H229-L233 VanDerWaalsContact O-N 3.17Å; L230-L233 HydrophobicContact CD2-CD1 4.21Å; L231-L233 VanDerWaalsContact C-N 3.3Å; L231-L233 PolarHBondContact O-N 3.2Å; L233-S235 PolarHBondContact O-N 2.78Å; L233-P236 HydrophobicContact CB-CG 3.77Å; L233-P236 HydrophobicContact CD1-CG 4.04Å; L233-R293 VanDerWaalsContact O-CZ 3.3Å; L233-R293 PolarHBondContact O-NH1 3.46Å; L233-R293 PolarHBondContact O-NH2 3.18Å; L233-D296 HydrophobicContact CD1-CB 4.33Å; L233-D296 VanDerWaalsContact CD1-OD1 3.23Å; L233-D296 WeakPolarHBondContact CD1-OD1 3.3Å; L233-D296 WeakPolarHBondContact CD2-OD1 3.47Å
234E72.6Confident69.2Low181 Ų18167.9 Ų67.985%0.84635%0.349SS*.SBendtrans-82.6105.8174.1-67.5-166164.800110.8A232A232-E234 PolarHBondContact O-N 3.44Å
235S71.6Confident69.1Low12 Ų1270.9 Ų70.98%0.08437%0.365CS..  trans45.760.9174.1-53.30000115.8L233 W237 K238 E387L233-S235 PolarHBondContact O-N 2.78Å; S235-W237 PolarHBondContact O-N 3.48Å; S235-K238 VanDerWaalsContact CB-CD 3.48Å; S235-K238 WeakPolarHBondContact O-CB 3.46Å; S235-K238 PolarHBondContact O-N 2.89Å; S235-K238 PolarHBondContact OG-NZ 2.93Å; S235-E387 VanDerWaalsContact CA-OE1 3.29Å; S235-E387 WeakPolarHBondContact CA-OE1 3.19Å; S235-E387 PolarHBondContact N-OE1 3.39Å; S235-E387 WeakPolarHBondContact OG-CG 3.4Å; S235-E387 PolarHBondContact OG-OE1 3.24Å
236P74.7Confident68.9Low0 Ų065.1 Ų65.10%034%0.338CS..Hα-helixtrans-48.3-39.3-178.9-16.713.4000114.5L233 K238 R239 R240 C292 R293L233-P236 HydrophobicContact CB-CG 3.77Å; L233-P236 HydrophobicContact CD1-CG 4.04Å; P236-K238 PolarHBondContact O-N 3.16Å; P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.4Å; P236-R239 VanDerWaalsContact O-N 3.09Å; P236-R240 PolarHBondContact O-N 3.03Å; P236-C292 HydrophobicContact CB-CB 4.32Å; P236-C292 VanDerWaalsContact CB-O 3.26Å; P236-C292 WeakPolarHBondContact CB-O 3.23Å; P236-R293 HydrophobicContact CG-CB 3.92Å; P236-R293 HydrophobicContact CG-CG 3.96Å
237W74.1Confident68.5Low0 Ų064.2 Ų64.20%034%0.337CS..Hα-helixtrans-61.7-24.5178.963.3-91.4000113.7S235 R240 I241 F246 F288 C292 E387 Y388 V391S235-W237 PolarHBondContact O-N 3.48Å; W237-R240 PolarHBondContact O-N 2.95Å; W237-I241 HydrophobicContact CE3-CD1 4.17Å; W237-I241 PolarHBondContact O-N 3.38Å; W237-F246 HydrophobicContact CE3-CE2 4.33Å; W237-F246 HydrophobicContact CH2-CE1 4.12Å; W237-F246 AromaticContact CH2-CE2 3.63Å; W237-F246 HydrophobicContact CH2-CE2 3.63Å; W237-F246 AromaticContact CH2-CZ 3.26Å; W237-F246 HydrophobicContact CH2-CZ 3.26Å; W237-F246 HydrophobicContact CZ2-CZ 4.47Å; W237-F246 AromaticContact CZ3-CE2 3.36Å; W237-F246 HydrophobicContact CZ3-CE2 3.36Å; W237-F246 AromaticContact CZ3-CZ 3.4Å; W237-F246 HydrophobicContact CZ3-CZ 3.4Å; W237-F288 HydrophobicContact CB-CD1 4.37Å; W237-F288 HydrophobicContact CB-CE1 3.93Å; W237-C292 HydrophobicContact CB-CB 3.82Å; W237-E387 HydrophobicContact CZ2-CB 3.8Å; W237-E387 PolarHBondContact NE1-OE2 3.37Å; W237-Y388 HydrophobicContact CD2-CE1 4.49Å; W237-Y388 HydrophobicContact CE3-CE1 4.32Å; W237-Y388 HydrophobicContact CH2-CD1 4.41Å; W237-Y388 HydrophobicContact CH2-CE1 4.23Å; W237-Y388 HydrophobicContact CZ2-CE1 4.39Å; W237-Y388 HydrophobicContact CZ3-CE1 4.17Å; W237-V391 HydrophobicContact CH2-CG2 3.58Å; W237-V391 HydrophobicContact CZ2-CG2 4.42Å; W237-V391 HydrophobicContact CZ3-CG2 4.3Å
238K75.6Confident68.3Low67 Ų6772.1 Ų72.129%0.29137%0.373SS..Hα-helixtrans-67.8-41.1174.3-68.1-178.7-174.1147.50111.2S235 P236 R240 I241 C242 F246S235-K238 VanDerWaalsContact CB-CD 3.48Å; S235-K238 WeakPolarHBondContact O-CB 3.46Å; S235-K238 PolarHBondContact O-N 2.89Å; S235-K238 PolarHBondContact OG-NZ 2.93Å; P236-K238 PolarHBondContact O-N 3.16Å; K238-R240 PolarHBondContact O-N 3.35Å; K238-I241 PolarHBondContact O-N 3.02Å; K238-I241 VanDerWaalsContact O-N 3.16Å; K238-C242 PolarHBondContact O-N 3.31Å; K238-F246 HydrophobicContact CB-CD2 4.07Å; K238-F246 HydrophobicContact CB-CE2 4.43Å; K238-F246 HydrophobicContact CD-CD2 4.03Å; K238-F246 HydrophobicContact CD-CE2 4.39Å; K238-F246 HydrophobicContact CD-CG 4.11Å; K238-F246 HydrophobicContact CG-CD2 3.69Å; K238-F246 HydrophobicContact CG-CE2 3.77Å; K238-F246 HydrophobicContact CG-CG 4.28Å; K238-F246 HydrophobicContact CG-CZ 4.41Å
239R74.8Confident68.2Low135 Ų13569.5 Ų69.551%0.50936%0.361SS..Hα-helixtrans-59.6-37.4176.8-62.4-172.9-65.8-168.6-2.1111.1P236 I241 D296P236-R239 WeakPolarHBondContact O-CB 3.36Å; P236-R239 PolarHBondContact O-N 3.4Å; P236-R239 VanDerWaalsContact O-N 3.09Å; R239-I241 VanDerWaalsContact C-N 3.3Å; R239-I241 PolarHBondContact O-N 3.21Å; R239-D296 IonicContact CZ-OD1 2.76Å; R239-D296 IonicContact NH1-OD1 3.74Å; R239-D296 PolarHBondContact NH2-O 3.1Å; R239-D296 IonicContact NH2-OD1 3.18Å; R239-D296 PolarHBondContact NH2-OD1 2.73Å
240R73.3Confident68.2Low43 Ų4369.7 Ų69.716%0.16237%0.371CS..Hα-helixtrans-68.9-25.9179.5-160.4171-172.21781.1113.7P236 W237 K238 D291 C292 D299 I406P236-R240 PolarHBondContact O-N 3.03Å; W237-R240 PolarHBondContact O-N 2.95Å; K238-R240 PolarHBondContact O-N 3.35Å; R240-D291 IonicContact NH1-OD2 2.8Å; R240-D291 PolarHBondContact NH1-OD2 3.14Å; R240-C292 VanDerWaalsContact CD-SG 3.53Å; R240-C292 PolarHBondContact NH1-SG 2.9Å; R240-C292 VanDerWaalsContact NH1-SG 3.43Å; R240-D299 IonicContact CZ-OD1 3.82Å; R240-D299 VanDerWaalsContact CZ-OD1 3.26Å; R240-D299 IonicContact NE-OD1 2.63Å; R240-D299 PolarHBondContact NE-OD1 3.5Å; R240-D299 VanDerWaalsContact NE-OD1 3.12Å; R240-D299 IonicContact NH2-OD1 3.73Å; R240-D299 PolarHBondContact NH2-OD1 3.27Å; R240-I406 VanDerWaalsContact CZ-CD1 3.47Å
241I72.8Confident68.7Low13 Ų1369.6 Ų69.67%0.06737%0.37CS..Hα-helixtrans-108.9-26.7-172.4-68.9172.9000112.8W237 K238 R239 F288 K398 C399W237-I241 HydrophobicContact CE3-CD1 4.17Å; W237-I241 PolarHBondContact O-N 3.38Å; K238-I241 PolarHBondContact O-N 3.02Å; K238-I241 VanDerWaalsContact O-N 3.16Å; R239-I241 VanDerWaalsContact C-N 3.3Å; R239-I241 PolarHBondContact O-N 3.21Å; I241-F288 HydrophobicContact CD1-CE1 3.67Å; I241-F288 HydrophobicContact CD1-CZ 4Å; I241-F288 HydrophobicContact CG1-CE1 4.44Å; I241-F288 HydrophobicContact CG1-CZ 4.32Å; I241-K398 HydrophobicContact CG2-CB 3.3Å; I241-K398 HydrophobicContact CG2-CD 3.66Å; I241-K398 HydrophobicContact CG2-CG 4.13Å; I241-C399 VanDerWaalsContact CD1-CA 3.47Å; I241-C399 HydrophobicContact CD1-CB 3.85Å; I241-C399 WeakPolarHBondContact CD1-SG 3.39Å
242C65.6Low69.4Low12 Ų1270.5 Ų70.58%0.08138%0.379CS..  trans-136.3119.1-177.2-69.40000108.7K238 D244 F246 A249K238-C242 PolarHBondContact O-N 3.31Å; C242-D244 VanDerWaalsContact C-N 3.32Å; C242-F246 HydrophobicContact CB-CD2 4.43Å; C242-A249 HydrophobicContact CB-CB 4.4Å
243S58.2Low69.6Low118 Ų11870.4 Ų70.483%0.82537%0.367SS*.SBendtrans-74.6-18.9178.346.70000113.7
244D50.9Low70.1Confident143 Ų14374.1 Ų74.177%0.76539%0.387SS*.SBendtrans-177.2145.1160.5-88.9-39.2000108.4C242C242-D244 VanDerWaalsContact C-N 3.32Å
245N57.6Low70.8Confident137 Ų13766.9 Ų66.973%0.73335%0.353SS*.  trans68.877.5-173.5-66.3-32.1000117.3L247 Q248 A249N245-L247 VanDerWaalsContact C-N 3.33Å; N245-L247 PolarHBondContact O-N 3.37Å; N245-L247 VanDerWaalsContact O-N 3.16Å; N245-Q248 PolarHBondContact O-N 2.91Å; N245-A249 WeakPolarHBondContact O-CB 3.31Å; N245-A249 PolarHBondContact O-N 3.2Å
246F56.3Low71.5Confident33 Ų3366.7 Ų66.715%0.14535%0.351CS..THydrogen-bonded Turntrans-51.5-38-178.6-175.3-107.8000116.1W237 K238 C242 V391 Q395W237-F246 HydrophobicContact CE3-CE2 4.33Å; W237-F246 HydrophobicContact CH2-CE1 4.12Å; W237-F246 AromaticContact CH2-CE2 3.63Å; W237-F246 HydrophobicContact CH2-CE2 3.63Å; W237-F246 AromaticContact CH2-CZ 3.26Å; W237-F246 HydrophobicContact CH2-CZ 3.26Å; W237-F246 HydrophobicContact CZ2-CZ 4.47Å; W237-F246 AromaticContact CZ3-CE2 3.36Å; W237-F246 HydrophobicContact CZ3-CE2 3.36Å; W237-F246 AromaticContact CZ3-CZ 3.4Å; W237-F246 HydrophobicContact CZ3-CZ 3.4Å; K238-F246 HydrophobicContact CB-CD2 4.07Å; K238-F246 HydrophobicContact CB-CE2 4.43Å; K238-F246 HydrophobicContact CD-CD2 4.03Å; K238-F246 HydrophobicContact CD-CE2 4.39Å; K238-F246 HydrophobicContact CD-CG 4.11Å; K238-F246 HydrophobicContact CG-CD2 3.69Å; K238-F246 HydrophobicContact CG-CE2 3.77Å; K238-F246 HydrophobicContact CG-CG 4.28Å; K238-F246 HydrophobicContact CG-CZ 4.41Å; C242-F246 HydrophobicContact CB-CD2 4.43Å; F246-V391 HydrophobicContact CE1-CG2 4.03Å; F246-V391 HydrophobicContact CZ-CB 4.48Å; F246-V391 HydrophobicContact CZ-CG1 4.17Å; F246-V391 HydrophobicContact CZ-CG2 3.81Å; F246-Q395 HydrophobicContact CD1-CG 4.43Å; F246-Q395 HydrophobicContact CD2-CG 4.29Å; F246-Q395 HydrophobicContact CE1-CB 4.4Å; F246-Q395 HydrophobicContact CE1-CG 3.97Å; F246-Q395 HydrophobicContact CE2-CB 4.06Å; F246-Q395 HydrophobicContact CE2-CG 3.8Å; F246-Q395 HydrophobicContact CZ-CB 3.72Å; F246-Q395 HydrophobicContact CZ-CG 3.61Å; F246-Q395 VanDerWaalsContact O-CG 3.32Å; F246-Q395 WeakPolarHBondContact O-CG 2.84Å; F246-Q395 PolarHBondContact O-NE2 3.03Å
247L56.5Low72Confident121 Ų12170.9 Ų70.963%0.63437%0.371SS*.THydrogen-bonded Turntrans-83.2-18.2-169.9-69.5174.4000114.6N245 Q395N245-L247 VanDerWaalsContact C-N 3.33Å; N245-L247 PolarHBondContact O-N 3.37Å; N245-L247 VanDerWaalsContact O-N 3.16Å; L247-Q395 PolarHBondContact O-NE2 3.37Å
248Q59.3Low72.6Confident176 Ų17674.2 Ų74.282%0.82238%0.383SS*.THydrogen-bonded Turntrans-135.47.9-172.3-67.1-175.2-4.100114.1N245 P250N245-Q248 PolarHBondContact O-N 2.91Å; Q248-P250 VanDerWaalsContact O-CD 3.26Å; Q248-P250 WeakPolarHBondContact O-CD 3.05Å; Q248-P250 VanDerWaalsContact O-N 3.14Å
249A66.4Low73.2Confident17 Ų1771 Ų7114%0.1437%0.369CS..PPolyproline II helixtrans-63.5116.7178.700000110.4C242 N245 K398C242-A249 HydrophobicContact CB-CB 4.4Å; N245-A249 WeakPolarHBondContact O-CB 3.31Å; N245-A249 PolarHBondContact O-N 3.2Å; A249-K398 PolarHBondContact O-NZ 3.44Å
250P76.7Confident73.6Confident103 Ų10365.7 Ų65.767%0.66935%0.35SS*.PPolyproline II helixtrans-63.9165.1175.129-35.2000110.3Q248 K398Q248-P250 VanDerWaalsContact O-CD 3.26Å; Q248-P250 WeakPolarHBondContact O-CD 3.05Å; Q248-P250 VanDerWaalsContact O-N 3.14Å; P250-K398 PolarHBondContact O-NZ 3.37Å
251Y82.9Confident74.1Confident20 Ų2070.1 Ų70.18%0.07838%0.377CS..PPolyproline II helixtrans-64138.9173.4-66.7-68.9000110.9D91 E255 L259 V394 I397 K398 L401D91-Y251 HydrophobicContact CB-CE2 4.01Å; D91-Y251 VanDerWaalsContact O-CE2 3.27Å; D91-Y251 WeakPolarHBondContact O-CE2 3.46Å; Y251-E255 WeakPolarHBondContact CA-OE2 3.37Å; Y251-E255 HydrophobicContact CD1-CB 3.98Å; Y251-E255 HydrophobicContact CG-CB 4.38Å; Y251-L259 HydrophobicContact CD1-CD1 4.01Å; Y251-L259 HydrophobicContact CD2-CD1 3.95Å; Y251-L259 HydrophobicContact CE1-CD1 3.94Å; Y251-L259 HydrophobicContact CE2-CD1 3.87Å; Y251-L259 HydrophobicContact CG-CD1 4.01Å; Y251-V394 HydrophobicContact CE1-CG1 4.06Å; Y251-V394 HydrophobicContact CE2-CG1 4.27Å; Y251-I397 HydrophobicContact CE1-CB 4.45Å; Y251-I397 HydrophobicContact CE1-CG2 3.96Å; Y251-I397 WeakPolarHBondContact OH-CD1 3.13Å; Y251-I397 WeakPolarHBondContact OH-CG2 3.38Å; Y251-K398 HydrophobicContact CD1-CD 4.42Å; Y251-K398 HydrophobicContact CD1-CG 3.82Å; Y251-K398 HydrophobicContact CE1-CG 3.61Å; Y251-L401 HydrophobicContact CD1-CD1 4.5Å; Y251-L401 HydrophobicContact CE1-CD1 4.41Å
252S84.7Confident74.7Confident53 Ų5370 Ų7037%0.37138%0.377SS..PPolyproline II helixtrans-66163.4168.679.60000110.5D254 E255 I256S252-D254 PolarHBondContact O-N 3.34Å; S252-E255 PolarHBondContact N-OE2 3.41Å; S252-E255 PolarHBondContact O-N 3.39Å; S252-E255 VanDerWaalsContact O-N 3.15Å; S252-E255 VanDerWaalsContact OG-CG 3.31Å; S252-E255 WeakPolarHBondContact OG-CG 3.29Å; S252-E255 PolarHBondContact OG-N 3.19Å; S252-E255 VanDerWaalsContact OG-N 3.15Å; S252-I256 WeakPolarHBondContact O-CG1 3.34Å; S252-I256 PolarHBondContact O-N 2.88Å
253I83Confident75.4Confident75 Ų7571.8 Ų71.839%0.38539%0.388SS..Hα-helixtrans-57.6-42177.9-62.2175.5000110.3V7 I256 E257V7-I253 HydrophobicContact CG1-CG2 4.44Å; I253-I256 PolarHBondContact O-N 3.43Å; I253-E257 WeakPolarHBondContact O-CG 3.41Å; I253-E257 PolarHBondContact O-N 2.98Å
254D84.4Confident76.3Confident98 Ų9871.8 Ų71.852%0.52437%0.373SS..Hα-helixtrans-65.7-39178.5-60.8-8000111.9S252 E257 R258S252-D254 PolarHBondContact O-N 3.34Å; D254-E257 PolarHBondContact O-N 3.46Å; D254-R258 WeakPolarHBondContact O-CD 3.34Å; D254-R258 VanDerWaalsContact O-CG 3.23Å; D254-R258 WeakPolarHBondContact O-CG 3.39Å; D254-R258 PolarHBondContact O-N 3.37Å
255E87.7Confident77.4Confident28 Ų2867.3 Ų67.313%0.13135%0.346CS..Hα-helixtrans-64.2-42.8175-73.3174149.800111.1Y251 S252 R258 L259 K398 L401Y251-E255 WeakPolarHBondContact CA-OE2 3.37Å; Y251-E255 HydrophobicContact CD1-CB 3.98Å; Y251-E255 HydrophobicContact CG-CB 4.38Å; S252-E255 PolarHBondContact N-OE2 3.41Å; S252-E255 PolarHBondContact O-N 3.39Å; S252-E255 VanDerWaalsContact O-N 3.15Å; S252-E255 VanDerWaalsContact OG-CG 3.31Å; S252-E255 WeakPolarHBondContact OG-CG 3.29Å; S252-E255 PolarHBondContact OG-N 3.19Å; S252-E255 VanDerWaalsContact OG-N 3.15Å; E255-R258 PolarHBondContact O-N 3.25Å; E255-L259 WeakPolarHBondContact O-CB 3.46Å; E255-L259 VanDerWaalsContact O-CG 3.3Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3.32Å; E255-K398 WeakPolarHBondContact OE1-CG 3.21Å; E255-K398 VanDerWaalsContact OE2-CE 3.28Å; E255-K398 WeakPolarHBondContact OE2-CE 3.25Å; E255-K398 IonicContact OE2-NZ 2.66Å; E255-L401 HydrophobicContact CB-CD1 3.9Å; E255-L401 HydrophobicContact CG-CD1 4.03Å
256I85.9Confident77.9Confident8 Ų863 Ų634%0.04132%0.323CS..Hα-helixtrans-62.6-43.8175.9-66.3169000110.6V7 F8 W9 L93 S252 I253 R258 L259 K260V7-I256 HydrophobicContact CG1-CB 4.35Å; V7-I256 HydrophobicContact CG1-CG2 3.69Å; F8-I256 VanDerWaalsContact O-CG2 3.3Å; F8-I256 WeakPolarHBondContact O-CG2 3.43Å; W9-I256 HydrophobicContact CB-CD1 4.26Å; W9-I256 HydrophobicContact CE3-CD1 4.23Å; L93-I256 HydrophobicContact CD1-CB 4.29Å; L93-I256 HydrophobicContact CD1-CG1 4.15Å; L93-I256 HydrophobicContact CD1-CG2 3.75Å; S252-I256 WeakPolarHBondContact O-CG1 3.34Å; S252-I256 PolarHBondContact O-N 2.88Å; I253-I256 PolarHBondContact O-N 3.43Å; I256-R258 VanDerWaalsContact C-N 3.34Å; I256-R258 PolarHBondContact O-N 2.63Å; I256-L259 PolarHBondContact O-N 2.98Å; I256-K260 HydrophobicContact CG2-CD 3.95Å; I256-K260 HydrophobicContact CG2-CG 4.39Å; I256-K260 WeakPolarHBondContact O-CB 3.4Å; I256-K260 VanDerWaalsContact O-CG 3.24Å; I256-K260 WeakPolarHBondContact O-CG 3.33Å; I256-K260 PolarHBondContact O-N 2.95Å
257E85.9Confident78.6Confident88 Ų8862.3 Ų62.341%0.41132%0.322SS..Hα-helixtrans-60.2-43.1176.8-77.6-174.7-179.200112.1V7 I253 D254 K260 N261V7-E257 HydrophobicContact CG2-CG 3.6Å; I253-E257 WeakPolarHBondContact O-CG 3.41Å; I253-E257 PolarHBondContact O-N 2.98Å; D254-E257 PolarHBondContact O-N 3.46Å; E257-K260 PolarHBondContact O-N 2.99Å; E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 3.14Å; E257-N261 PolarHBondContact O-ND2 3.25Å
258R86.2Confident79.4Confident70 Ų7061.7 Ų61.726%0.26432%0.323SS..Hα-helixtrans-63.4-47.1174.9-67.3161-166.8-79.5-3.2111.7D254 E255 I256 K260 N261 L262 L401 Q405D254-R258 WeakPolarHBondContact O-CD 3.34Å; D254-R258 VanDerWaalsContact O-CG 3.23Å; D254-R258 WeakPolarHBondContact O-CG 3.39Å; D254-R258 PolarHBondContact O-N 3.37Å; E255-R258 PolarHBondContact O-N 3.25Å; I256-R258 VanDerWaalsContact C-N 3.34Å; I256-R258 PolarHBondContact O-N 2.63Å; R258-K260 VanDerWaalsContact C-N 3.29Å; R258-K260 PolarHBondContact O-N 2.62Å; R258-N261 PolarHBondContact O-N 3.34Å; R258-N261 VanDerWaalsContact O-N 3.08Å; R258-L262 PolarHBondContact O-N 3Å; R258-L401 HydrophobicContact CB-CD2 3.92Å; R258-Q405 VanDerWaalsContact CZ-CD 3.5Å; R258-Q405 VanDerWaalsContact CZ-OE1 3.25Å; R258-Q405 VanDerWaalsContact NH1-CD 3.25Å
259L87.1Confident80.1Confident0 Ų054.5 Ų54.50%029%0.292CS..Hα-helixtrans-58.9-41.1178.9-74.9171.9000111.8L93 T94 Y251 E255 I256 N261 L262 I397 L401L93-L259 HydrophobicContact CD1-CB 4.41Å; L93-L259 HydrophobicContact CD1-CD1 4.31Å; T94-L259 VanDerWaalsContact CG2-O 3.23Å; T94-L259 WeakPolarHBondContact CG2-O 2.99Å; Y251-L259 HydrophobicContact CD1-CD1 4.01Å; Y251-L259 HydrophobicContact CD2-CD1 3.95Å; Y251-L259 HydrophobicContact CE1-CD1 3.94Å; Y251-L259 HydrophobicContact CE2-CD1 3.87Å; Y251-L259 HydrophobicContact CG-CD1 4.01Å; E255-L259 WeakPolarHBondContact O-CB 3.46Å; E255-L259 VanDerWaalsContact O-CG 3.3Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3.32Å; I256-L259 PolarHBondContact O-N 2.98Å; L259-N261 VanDerWaalsContact C-N 3.27Å; L259-N261 PolarHBondContact O-N 2.8Å; L259-L262 HydrophobicContact CD2-CD1 3.8Å; L259-L262 WeakPolarHBondContact O-CB 3.5Å; L259-L262 PolarHBondContact O-N 2.65Å; L259-I397 HydrophobicContact CD2-CG2 3.78Å; L259-L401 HydrophobicContact CD1-CD1 4.22Å; L259-L401 HydrophobicContact CD2-CD1 4.06Å; L259-L401 HydrophobicContact CD2-CD2 4.17Å; L259-L401 HydrophobicContact CD2-CG 4.49Å; L259-L401 HydrophobicContact CG-CD1 3.87Å; L259-L401 HydrophobicContact CG-CD2 4.39Å
260K83.6Confident80.5Confident24 Ų2457.8 Ų57.810%0.10431%0.306CS..Hα-helixtrans-64.2-31.5176.6-75.1170.161.6-152.40113.7T5 P6 V7 F8 I256 E257 R258T5-K260 WeakPolarHBondContact O-CE 3.38Å; T5-K260 PolarHBondContact O-NZ 3.24Å; P6-K260 WeakPolarHBondContact O-CE 3.41Å; P6-K260 PolarHBondContact O-NZ 2.77Å; V7-K260 VanDerWaalsContact N-NZ 3.14Å; F8-K260 HydrophobicContact CD1-CD 4.15Å; F8-K260 HydrophobicContact CD1-CG 4.42Å; F8-K260 HydrophobicContact CE1-CD 4.17Å; F8-K260 HydrophobicContact CE1-CG 3.94Å; I256-K260 HydrophobicContact CG2-CD 3.95Å; I256-K260 HydrophobicContact CG2-CG 4.39Å; I256-K260 WeakPolarHBondContact O-CB 3.4Å; I256-K260 VanDerWaalsContact O-CG 3.24Å; I256-K260 WeakPolarHBondContact O-CG 3.33Å; I256-K260 PolarHBondContact O-N 2.95Å; E257-K260 PolarHBondContact O-N 2.99Å; R258-K260 VanDerWaalsContact C-N 3.29Å; R258-K260 PolarHBondContact O-N 2.62Å
261N83.8Confident80.3Confident135 Ų13557.4 Ų57.472%0.72230%0.303SS*.Hα-helixtrans-85.8-8-178.5-68.7-23.5000113.1E257 R258 L259E257-N261 VanDerWaalsContact O-CG 3.27Å; E257-N261 PolarHBondContact O-N 3.14Å; E257-N261 PolarHBondContact O-ND2 3.25Å; R258-N261 PolarHBondContact O-N 3.34Å; R258-N261 VanDerWaalsContact O-N 3.08Å; L259-N261 VanDerWaalsContact C-N 3.27Å; L259-N261 PolarHBondContact O-N 2.8Å
262L85.3Confident79.8Confident12 Ų1263 Ų636%0.06333%0.33CS..SBendtrans-62.1151.4173.1-67.9176.7000111.2T94 R258 L259 K264 T423 C426 V427T94-L262 HydrophobicContact CG2-CB 3.99Å; T94-L262 HydrophobicContact CG2-CD1 4.06Å; R258-L262 PolarHBondContact O-N 3Å; L259-L262 HydrophobicContact CD2-CD1 3.8Å; L259-L262 WeakPolarHBondContact O-CB 3.5Å; L259-L262 PolarHBondContact O-N 2.65Å; L262-K264 PolarHBondContact O-N 3.43Å; L262-T423 HydrophobicContact CD2-CG2 4.06Å; L262-C426 HydrophobicContact CD1-CB 3.63Å; L262-C426 HydrophobicContact CD2-CB 4.27Å; L262-V427 HydrophobicContact CB-CG2 4.14Å; L262-V427 HydrophobicContact CD1-CG2 4.39Å
263P81.3Confident79.2Confident48 Ų4861.5 Ų61.531%0.31232%0.318SS..  trans-62.4126.6-179.525-33.2000110.8K265 T423 V427P263-K265 HydrophobicContact CB-CD 4.23Å; P263-K265 HydrophobicContact CB-CG 4.16Å; P263-K265 HydrophobicContact CG-CD 4.43Å; P263-K265 HydrophobicContact CG-CG 4.43Å; P263-K265 PolarHBondContact O-N 2.55Å; P263-T423 HydrophobicContact CG-CG2 3.55Å; P263-V427 HydrophobicContact CG-CG2 4.19Å
264K76.5Confident78.8Confident118 Ų11860 Ų6051%0.51331%0.309SS..  trans-77.562.5178.6-58177.8-173.5179.80111V98 L262V98-K264 HydrophobicContact CG2-CB 4.13Å; L262-K264 PolarHBondContact O-N 3.43Å
265K74.3Confident78.2Confident49 Ų4959.4 Ų59.421%0.21330%0.299CS..  trans-123.8145.4-179.365-179.7-179.91760110.9P263 V267 D424 V427P263-K265 HydrophobicContact CB-CD 4.23Å; P263-K265 HydrophobicContact CB-CG 4.16Å; P263-K265 HydrophobicContact CG-CD 4.43Å; P263-K265 HydrophobicContact CG-CG 4.43Å; P263-K265 PolarHBondContact O-N 2.55Å; K265-V267 HydrophobicContact CD-CG2 4.28Å; K265-V267 HydrophobicContact CG-CG2 3.99Å; K265-V267 PolarHBondContact O-N 2.94Å; K265-D424 WeakPolarHBondContact CE-OD1 3.17Å; K265-D424 IonicContact NZ-OD1 3.26Å; K265-D424 PolarHBondContact NZ-OD1 3.29Å; K265-D424 IonicContact NZ-OD2 2.68Å; K265-V427 WeakPolarHBondContact O-CG1 3.46Å
266N67.8Low77.4Confident47 Ų4758.3 Ų58.325%0.25130%0.295SS..  trans-80.8106.8169.6-74-31.2000109.3V98 S102 A104 T268V98-N266 WeakPolarHBondContact CG1-OD1 3.34Å; S102-N266 PolarHBondContact O-ND2 3.38Å; S102-N266 PolarHBondContact OG-ND2 2.78Å; A104-N266 HydrophobicContact CB-CB 4.28Å; A104-N266 WeakPolarHBondContact CB-O 3.46Å; N266-T268 PolarHBondContact O-N 3.49Å
267V72.1Confident76.9Confident18 Ų1857.9 Ų57.911%0.10929%0.293CS..  trans-84.4109.3174.6-1790000108.4F156 K265 V427 W428F156-V267 HydrophobicContact CD1-CG1 4.13Å; F156-V267 HydrophobicContact CE1-CG1 3.29Å; F156-V267 HydrophobicContact CZ-CG1 3.8Å; K265-V267 HydrophobicContact CD-CG2 4.28Å; K265-V267 HydrophobicContact CG-CG2 3.99Å; K265-V267 PolarHBondContact O-N 2.94Å; V267-V427 HydrophobicContact CB-CG1 4.34Å; V267-V427 HydrophobicContact CG2-CB 4.01Å; V267-V427 HydrophobicContact CG2-CG1 3.67Å; V267-W428 HydrophobicContact CB-CB 4.22Å; V267-W428 HydrophobicContact CG1-CB 3.96Å; V267-W428 HydrophobicContact CG1-CG 4.37Å
268T72.4Confident76.5Confident109 Ų10954.3 Ų54.367%0.66928%0.277SS*.  trans-106.6135.7172.254.70000109.2A104 N266A104-T268 HydrophobicContact CB-CG2 3.78Å; A104-T268 WeakPolarHBondContact CB-OG1 3.45Å; N266-T268 PolarHBondContact O-N 3.49Å
269V73.3Confident75.9Confident25 Ų2551.3 Ų51.315%0.15227%0.266CS..  trans-112.1129.8176.7-179.20000107.7F156 A157 L273 E274 W428F156-V269 HydrophobicContact CE1-CG2 3.47Å; F156-V269 VanDerWaalsContact CE1-CG2 3.47Å; F156-V269 HydrophobicContact CZ-CG2 3.41Å; F156-V269 VanDerWaalsContact CZ-CG2 3.41Å; A157-V269 HydrophobicContact CB-CG1 3.92Å; A157-V269 HydrophobicContact CB-CG2 4.15Å; V269-L273 HydrophobicContact CG1-CB 3.92Å; V269-E274 HydrophobicContact CG1-CB 4.34Å; V269-W428 HydrophobicContact CG2-CD2 4.29Å; V269-W428 HydrophobicContact CG2-CG 4.28Å; V269-W428 HydrophobicContact CG2-CZ2 4.31Å
270I75.1Confident75.4Confident85 Ų8551.6 Ų51.644%0.43627%0.267SS..  trans-63.3137.9177.3-21.2179.3000108.3E272 L273 E274I270-E272 WeakPolarHBondContact CG2-OE2 3.2Å; I270-E272 PolarHBondContact O-N 3.17Å; I270-L273 HydrophobicContact CD1-CD1 4.21Å; I270-L273 HydrophobicContact CG1-CD1 4.35Å; I270-L273 PolarHBondContact O-N 3.1Å; I270-E274 PolarHBondContact O-N 2.75Å; I270-E274 VanDerWaalsContact O-N 3.09Å
271P73.4Confident75.2Confident95 Ų9550.7 Ų50.762%0.61726%0.264SS*.Hα-helixtrans-53-30.5-173.4-30.338.1000114.9L273 E274P271-L273 VanDerWaalsContact C-N 3.31Å; P271-L273 PolarHBondContact O-N 3.29Å; P271-E274 PolarHBondContact O-N 3.21Å
272E71.1Confident74.9Confident139 Ų13946.9 Ų46.965%0.6525%0.245SC*.Hα-helixtrans-66.8-32.1178.1-58.672.2-15400112.3I270I270-E272 WeakPolarHBondContact CG2-OE2 3.2Å; I270-E272 PolarHBondContact O-N 3.17Å
273L72.5Confident74.3Confident21 Ų2146.7 Ų46.711%0.1124%0.244CC..Hα-helixtrans-95.4-15.2179.8-65.9175000112.9A157 V269 I270 P271 R275 A276 A277A157-L273 HydrophobicContact CB-CB 4.38Å; A157-L273 WeakPolarHBondContact O-CD1 3.5Å; V269-L273 HydrophobicContact CG1-CB 3.92Å; I270-L273 HydrophobicContact CD1-CD1 4.21Å; I270-L273 HydrophobicContact CG1-CD1 4.35Å; I270-L273 PolarHBondContact O-N 3.1Å; P271-L273 VanDerWaalsContact C-N 3.31Å; P271-L273 PolarHBondContact O-N 3.29Å; L273-R275 VanDerWaalsContact C-N 3.27Å; L273-R275 PolarHBondContact O-N 3.06Å; L273-A276 PolarHBondContact O-N 2.89Å; L273-A276 VanDerWaalsContact O-N 3.07Å; L273-A277 PolarHBondContact O-N 2.67Å
274E75.3Confident74.2Confident42 Ų4244.4 Ų44.420%0.19623%0.23CC..Hα-helixtrans-55.2-45.2-179.2-168-172.7171.100111.3V269 I270 P271 A276 A277 L278 K345 W428V269-E274 HydrophobicContact CG1-CB 4.34Å; I270-E274 PolarHBondContact O-N 2.75Å; I270-E274 VanDerWaalsContact O-N 3.09Å; P271-E274 PolarHBondContact O-N 3.21Å; E274-A276 PolarHBondContact O-N 3.13Å; E274-A277 PolarHBondContact O-N 3.06Å; E274-L278 HydrophobicContact CG-CD1 4.49Å; E274-L278 WeakPolarHBondContact O-CG 3.48Å; E274-L278 PolarHBondContact O-N 3.43Å; E274-K345 VanDerWaalsContact CD-NZ 3.33Å; E274-K345 IonicContact OE1-NZ 3.09Å; E274-K345 PolarHBondContact OE1-NZ 2.95Å; E274-K345 IonicContact OE2-NZ 3.19Å; E274-K345 PolarHBondContact OE2-NZ 2.8Å; E274-W428 HydrophobicContact CG-CH2 4.5Å; E274-W428 HydrophobicContact CG-CZ2 4.01Å
275R72.1Confident74.3Confident86 Ų8639.3 Ų39.333%0.32521%0.208SC..Hα-helixtrans-62.1-44.2178.1-177.7173.2179.2121.88.9111.4L273 L278 F279 S353L273-R275 VanDerWaalsContact C-N 3.27Å; L273-R275 PolarHBondContact O-N 3.06Å; R275-L278 PolarHBondContact O-N 3.15Å; R275-F279 HydrophobicContact CG-CD2 3.75Å; R275-F279 HydrophobicContact CG-CE2 3.32Å; R275-F279 HydrophobicContact CG-CZ 4.36Å; R275-F279 WeakPolarHBondContact O-CD2 3.45Å; R275-F279 PolarHBondContact O-N 3.17Å; R275-F279 VanDerWaalsContact O-N 3.09Å; R275-S353 PolarHBondContact NH2-OG 3.08Å
276A70.6Confident74.3Confident5 Ų537.2 Ų37.24%0.04120%0.199CC..Hα-helixtrans-64.4-42.8178.300000111.5L273 E274 F279 S280 I315L273-A276 PolarHBondContact O-N 2.89Å; L273-A276 VanDerWaalsContact O-N 3.07Å; E274-A276 PolarHBondContact O-N 3.13Å; A276-F279 PolarHBondContact O-N 3.46Å; A276-S280 PolarHBondContact O-N 3.42Å; A276-S280 PolarHBondContact O-OG 3.37Å; A276-I315 HydrophobicContact CB-CG2 3.86Å
277A75.7Confident74.7Confident0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-61-43.9176.400000112.1L273 E274 F279 S280 L281 Y425 W428L273-A277 PolarHBondContact O-N 2.67Å; E274-A277 PolarHBondContact O-N 3.06Å; A277-F279 VanDerWaalsContact C-N 3.34Å; A277-F279 PolarHBondContact O-N 3.08Å; A277-S280 WeakPolarHBondContact CA-OG 3.04Å; A277-S280 PolarHBondContact O-N 3.46Å; A277-S280 PolarHBondContact O-OG 3.29Å; A277-L281 WeakPolarHBondContact O-CB 3.47Å; A277-L281 PolarHBondContact O-N 2.91Å; A277-Y425 HydrophobicContact CB-CE1 4.49Å; A277-Y425 WeakPolarHBondContact O-CE1 3.42Å; A277-Y425 PolarHBondContact O-OH 2.85Å; A277-W428 HydrophobicContact CB-CH2 4.11Å; A277-W428 HydrophobicContact CB-CZ3 4.28Å
278L77.1Confident74.9Confident12 Ų1234.1 Ų34.16%0.06318%0.181CC..Hα-helixtrans-61.9-40.6175.4-71.8173.5000112.3E274 R275 L281 V282 L349 W428E274-L278 HydrophobicContact CG-CD1 4.49Å; E274-L278 WeakPolarHBondContact O-CG 3.48Å; E274-L278 PolarHBondContact O-N 3.43Å; R275-L278 PolarHBondContact O-N 3.15Å; L278-L281 WeakPolarHBondContact O-CB 3.4Å; L278-L281 PolarHBondContact O-N 3.12Å; L278-V282 WeakPolarHBondContact O-CG2 3.22Å; L278-V282 PolarHBondContact O-N 2.94Å; L278-L349 HydrophobicContact CB-CD1 4.05Å; L278-L349 HydrophobicContact CD1-CD1 3.67Å; L278-L349 HydrophobicContact CG-CD1 4.48Å; L278-W428 HydrophobicContact CD2-CH2 3.63Å; L278-W428 HydrophobicContact CD2-CZ3 4.04Å; L278-W428 HydrophobicContact CG-CH2 3.9Å
279F73.9Confident75.2Confident8 Ų829 Ų294%0.03515%0.15CC..Hα-helixtrans-67.4-43.3177.8-74.7-56.3000112.9R275 A276 A277 L281 V282 D283 L317 L349 I357R275-F279 HydrophobicContact CG-CD2 3.75Å; R275-F279 HydrophobicContact CG-CE2 3.32Å; R275-F279 HydrophobicContact CG-CZ 4.36Å; R275-F279 WeakPolarHBondContact O-CD2 3.45Å; R275-F279 PolarHBondContact O-N 3.17Å; R275-F279 VanDerWaalsContact O-N 3.09Å; A276-F279 PolarHBondContact O-N 3.46Å; A277-F279 VanDerWaalsContact C-N 3.34Å; A277-F279 PolarHBondContact O-N 3.08Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 3.15Å; F279-V282 WeakPolarHBondContact O-CB 3.34Å; F279-V282 PolarHBondContact O-N 2.91Å; F279-V282 VanDerWaalsContact O-N 3.14Å; F279-D283 PolarHBondContact O-N 3.11Å; F279-L317 HydrophobicContact CB-CD1 4.47Å; F279-L317 HydrophobicContact CD1-CD1 4.1Å; F279-L317 HydrophobicContact CD2-CB 4.18Å; F279-L317 HydrophobicContact CD2-CD1 3.3Å; F279-L317 HydrophobicContact CD2-CG 4.24Å; F279-L317 HydrophobicContact CE1-CD1 4.14Å; F279-L317 HydrophobicContact CE2-CB 4.18Å; F279-L317 HydrophobicContact CE2-CD1 3.27Å; F279-L317 HydrophobicContact CE2-CG 4.33Å; F279-L317 HydrophobicContact CG-CD1 3.71Å; F279-L317 HydrophobicContact CZ-CD1 3.74Å; F279-L349 HydrophobicContact CE1-CD2 4.4Å; F279-L349 HydrophobicContact CE2-CD2 4.26Å; F279-L349 HydrophobicContact CZ-CD2 3.74Å; F279-I357 HydrophobicContact CD1-CD1 3.44Å; F279-I357 VanDerWaalsContact CD1-CD1 3.44Å; F279-I357 HydrophobicContact CD1-CG1 4.08Å; F279-I357 HydrophobicContact CE1-CD1 3.77Å; F279-I357 HydrophobicContact CE1-CG1 4.42Å
280S75.6Confident75.1Confident5 Ų528.1 Ų28.14%0.03514%0.144CC..Hα-helixtrans-64.2-32.4173.140.50000112.5A276 A277 D283 I284 Y425A276-S280 PolarHBondContact O-N 3.42Å; A276-S280 PolarHBondContact O-OG 3.37Å; A277-S280 WeakPolarHBondContact CA-OG 3.04Å; A277-S280 PolarHBondContact O-N 3.46Å; A277-S280 PolarHBondContact O-OG 3.29Å; S280-D283 PolarHBondContact O-N 3.34Å; S280-I284 WeakPolarHBondContact O-CD1 3.48Å; S280-I284 WeakPolarHBondContact O-CG1 3.42Å; S280-I284 PolarHBondContact O-N 3.4Å; S280-Y425 PolarHBondContact OG-OH 2.96Å
281L80.6Confident75.2Confident5 Ų524.2 Ų24.23%0.02612%0.124CC..Hα-helixtrans-62.9-43.1172-179.659.9000111.7A277 L278 F279 D283 I284 L285 L396 L400 Y425 V429A277-L281 WeakPolarHBondContact O-CB 3.47Å; A277-L281 PolarHBondContact O-N 2.91Å; L278-L281 WeakPolarHBondContact O-CB 3.4Å; L278-L281 PolarHBondContact O-N 3.12Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 3.15Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 2.96Å; L281-I284 PolarHBondContact O-N 3.47Å; L281-L285 HydrophobicContact CD1-CD1 4.33Å; L281-L285 HydrophobicContact CD1-CG 4.31Å; L281-L285 HydrophobicContact CG-CD1 4.17Å; L281-L285 VanDerWaalsContact O-CG 3.29Å; L281-L285 WeakPolarHBondContact O-CG 3.13Å; L281-L285 PolarHBondContact O-N 3.04Å; L281-L396 HydrophobicContact CD1-CD2 4.46Å; L281-L396 HydrophobicContact CD2-CD1 4.21Å; L281-L396 HydrophobicContact CD2-CD2 4.16Å; L281-L400 HydrophobicContact CD1-CD1 4.37Å; L281-L400 HydrophobicContact CD1-CD2 3.88Å; L281-Y425 HydrophobicContact CB-CD1 4.2Å; L281-Y425 HydrophobicContact CB-CE1 3.79Å; L281-Y425 HydrophobicContact CD1-CD1 3.95Å; L281-Y425 HydrophobicContact CD1-CE1 4.37Å; L281-Y425 HydrophobicContact CD1-CG 4.28Å; L281-Y425 HydrophobicContact CD2-CD1 4.4Å; L281-Y425 HydrophobicContact CG-CD1 4.42Å; L281-Y425 HydrophobicContact CG-CE1 4.49Å; L281-V429 HydrophobicContact CD2-CG2 4.23Å
282V77.8Confident75.3Confident55 Ų5519.7 Ų19.733%0.33310%0.095SC..Hα-helixtrans-62.5-41.8175.6172.70000111L278 F279 L285 F286 I357L278-V282 WeakPolarHBondContact O-CG2 3.22Å; L278-V282 PolarHBondContact O-N 2.94Å; F279-V282 WeakPolarHBondContact O-CB 3.34Å; F279-V282 PolarHBondContact O-N 2.91Å; F279-V282 VanDerWaalsContact O-N 3.14Å; V282-L285 PolarHBondContact O-N 3.47Å; V282-F286 WeakPolarHBondContact O-CB 3.33Å; V282-F286 PolarHBondContact O-N 2.98Å; V282-I357 HydrophobicContact CB-CD1 4.32Å; V282-I357 HydrophobicContact CG1-CD1 3.84Å; V282-I357 HydrophobicContact CG1-CG2 4.36Å
283D72.9Confident75.5Confident9 Ų913.1 Ų13.15%0.0486%0.064CC..Hα-helixtrans-62.5-43.2177.6-73.1-34.7000111.9F279 S280 L281 F286 G287 T310 I357 N361F279-D283 PolarHBondContact O-N 3.11Å; S280-D283 PolarHBondContact O-N 3.34Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 2.96Å; D283-F286 WeakPolarHBondContact O-CB 3.23Å; D283-F286 PolarHBondContact O-N 3.39Å; D283-G287 PolarHBondContact O-N 3.32Å; D283-T310 HydrophobicContact CB-CG2 3.42Å; D283-T310 VanDerWaalsContact CB-CG2 3.42Å; D283-I357 WeakPolarHBondContact OD1-CG2 3.27Å; D283-N361 PolarHBondContact OD1-ND2 3.24Å
284I77.6Confident75.4Confident0 Ų013.6 Ų13.60%07%0.066CC..Hα-helixtrans-60.8-48.4174.9-66.5158.9000111.2S280 L281 F286 G287 F288 I307 F311 I403 I422 Y425S280-I284 WeakPolarHBondContact O-CD1 3.48Å; S280-I284 WeakPolarHBondContact O-CG1 3.42Å; S280-I284 PolarHBondContact O-N 3.4Å; L281-I284 PolarHBondContact O-N 3.47Å; I284-F286 VanDerWaalsContact C-N 3.27Å; I284-F286 PolarHBondContact O-N 3.4Å; I284-G287 PolarHBondContact O-N 3.42Å; I284-F288 PolarHBondContact O-N 3.38Å; I284-I307 HydrophobicContact CG2-CD1 4.32Å; I284-F311 HydrophobicContact CD1-CE1 3.56Å; I284-F311 HydrophobicContact CD1-CE2 4.26Å; I284-F311 HydrophobicContact CD1-CZ 3.21Å; I284-F311 HydrophobicContact CG1-CE1 3.78Å; I284-F311 HydrophobicContact CG1-CE2 3.98Å; I284-F311 HydrophobicContact CG1-CZ 3.33Å; I284-I403 HydrophobicContact CG2-CD1 3.68Å; I284-I422 HydrophobicContact CD1-CD1 4.26Å; I284-I422 HydrophobicContact CG2-CD1 4.12Å; I284-Y425 HydrophobicContact CD1-CD2 3.88Å; I284-Y425 HydrophobicContact CD1-CE2 3.58Å
285L79.8Confident75.2Confident10 Ų1012.9 Ų12.95%0.0526%0.064CC..Hα-helixtrans-64.3-35.4179.6-69.5174.5000111.3L281 V282 F288 A289 Y388 L396 C399L281-L285 HydrophobicContact CD1-CD1 4.33Å; L281-L285 HydrophobicContact CD1-CG 4.31Å; L281-L285 HydrophobicContact CG-CD1 4.17Å; L281-L285 VanDerWaalsContact O-CG 3.29Å; L281-L285 WeakPolarHBondContact O-CG 3.13Å; L281-L285 PolarHBondContact O-N 3.04Å; V282-L285 PolarHBondContact O-N 3.47Å; L285-F288 PolarHBondContact O-N 2.97Å; L285-A289 PolarHBondContact O-N 3.36Å; L285-Y388 HydrophobicContact CB-CE1 4.29Å; L285-Y388 HydrophobicContact CB-CE2 4.17Å; L285-Y388 HydrophobicContact CD2-CE1 4.34Å; L285-Y388 PolarHBondContact O-OH 3.26Å; L285-Y388 VanDerWaalsContact O-OH 3.06Å; L285-L396 HydrophobicContact CD1-CD1 3.83Å; L285-L396 HydrophobicContact CD1-CG 4.24Å; L285-C399 HydrophobicContact CD2-CB 3.72Å
286F74.3Confident75.2Confident5 Ų511.6 Ų11.62%0.0226%0.063CC..Hα-helixtrans-63.1-48.3174.4-170.9-82.1000111.4V282 D283 I284 F288 A289 Y290 F365 F381 I384V282-F286 WeakPolarHBondContact O-CB 3.33Å; V282-F286 PolarHBondContact O-N 2.98Å; D283-F286 WeakPolarHBondContact O-CB 3.23Å; D283-F286 PolarHBondContact O-N 3.39Å; I284-F286 VanDerWaalsContact C-N 3.27Å; I284-F286 PolarHBondContact O-N 3.4Å; F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 3.01Å; F286-A289 PolarHBondContact O-N 3.28Å; F286-Y290 WeakPolarHBondContact O-CB 3.36Å; F286-Y290 PolarHBondContact O-N 2.81Å; F286-F365 HydrophobicContact CD1-CD2 4.46Å; F286-F365 HydrophobicContact CD1-CE1 4.19Å; F286-F365 AromaticContact CD1-CE2 3.46Å; F286-F365 HydrophobicContact CD1-CE2 3.46Å; F286-F365 VanDerWaalsContact CD1-CE2 3.46Å; F286-F365 AromaticContact CD1-CZ 3.3Å; F286-F365 HydrophobicContact CD1-CZ 3.3Å; F286-F365 HydrophobicContact CE1-CD1 4.33Å; F286-F365 AromaticContact CE1-CD2 3.79Å; F286-F365 HydrophobicContact CE1-CD2 3.79Å; F286-F365 AromaticContact CE1-CE1 3.78Å; F286-F365 HydrophobicContact CE1-CE1 3.78Å; F286-F365 AromaticContact CE1-CE2 3.19Å; F286-F365 HydrophobicContact CE1-CE2 3.19Å; F286-F365 HydrophobicContact CE1-CG 4.36Å; F286-F365 AromaticContact CE1-CZ 3.21Å; F286-F365 HydrophobicContact CE1-CZ 3.21Å; F286-F365 HydrophobicContact CZ-CE2 4.36Å; F286-F381 HydrophobicContact CD1-CE1 4.44Å; F286-F381 HydrophobicContact CD2-CD1 4.45Å; F286-F381 HydrophobicContact CE1-CD1 4.07Å; F286-F381 AromaticContact CE1-CE1 3.5Å; F286-F381 HydrophobicContact CE1-CE1 3.5Å; F286-F381 VanDerWaalsContact CE1-CE1 3.5Å; F286-F381 HydrophobicContact CE1-CZ 4.16Å; F286-F381 AromaticContact CE2-CD1 3.34Å; F286-F381 HydrophobicContact CE2-CD1 3.34Å; F286-F381 AromaticContact CE2-CE1 3.63Å; F286-F381 HydrophobicContact CE2-CE1 3.63Å; F286-F381 HydrophobicContact CE2-CG 4.33Å; F286-F381 AromaticContact CZ-CD1 3.11Å; F286-F381 HydrophobicContact CZ-CD1 3.11Å; F286-F381 AromaticContact CZ-CE1 3.01Å; F286-F381 HydrophobicContact CZ-CE1 3.01Å; F286-F381 HydrophobicContact CZ-CG 4.02Å; F286-F381 AromaticContact CZ-CZ 3.88Å; F286-F381 HydrophobicContact CZ-CZ 3.88Å; F286-I384 HydrophobicContact CD2-CB 4.11Å; F286-I384 HydrophobicContact CD2-CD1 3.87Å; F286-I384 HydrophobicContact CD2-CG2 3.6Å; F286-I384 HydrophobicContact CE1-CD1 4.16Å; F286-I384 HydrophobicContact CE2-CB 3.91Å; F286-I384 HydrophobicContact CE2-CD1 3.33Å; F286-I384 HydrophobicContact CE2-CG1 4.19Å; F286-I384 HydrophobicContact CE2-CG2 3.95Å; F286-I384 HydrophobicContact CG-CD1 4.47Å; F286-I384 HydrophobicContact CG-CG2 4.47Å; F286-I384 HydrophobicContact CZ-CD1 3.47Å; F286-I384 VanDerWaalsContact CZ-CD1 3.47Å
287G75.2Confident75Confident0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-58.2-40.1175.400000112.3D283 I284 Y290 D291D283-G287 PolarHBondContact O-N 3.32Å; I284-G287 PolarHBondContact O-N 3.42Å; G287-Y290 PolarHBondContact O-N 3.48Å; G287-D291 WeakPolarHBondContact O-CB 3.05Å; G287-D291 PolarHBondContact O-N 3.01Å
288F77.8Confident74.6Confident0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-65.3-45.8175.4179.7-101.3000113.9W237 I241 I284 L285 F286 Y290 D291 C292 L303 C399 I403 I406W237-F288 HydrophobicContact CB-CD1 4.37Å; W237-F288 HydrophobicContact CB-CE1 3.93Å; I241-F288 HydrophobicContact CD1-CE1 3.67Å; I241-F288 HydrophobicContact CD1-CZ 4Å; I241-F288 HydrophobicContact CG1-CE1 4.44Å; I241-F288 HydrophobicContact CG1-CZ 4.32Å; I284-F288 PolarHBondContact O-N 3.38Å; L285-F288 PolarHBondContact O-N 2.97Å; F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 3.01Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 2.96Å; F288-D291 PolarHBondContact O-N 2.99Å; F288-C292 VanDerWaalsContact CZ-SG 3.55Å; F288-C292 WeakPolarHBondContact O-CB 3.09Å; F288-C292 PolarHBondContact O-N 2.99Å; F288-C292 PolarHBondContact O-SG 3.41Å; F288-L303 VanDerWaalsContact CA-CD1 3.46Å; F288-L303 HydrophobicContact CB-CD1 4.06Å; F288-L303 HydrophobicContact CD2-CD1 4.13Å; F288-L303 HydrophobicContact CD2-CD2 4.07Å; F288-C399 HydrophobicContact CD1-CB 4.49Å; F288-C399 HydrophobicContact CE1-CB 4.41Å; F288-I403 HydrophobicContact CB-CD1 3.81Å; F288-I403 HydrophobicContact CB-CG1 3.99Å; F288-I403 HydrophobicContact CD2-CD1 4.08Å; F288-I403 HydrophobicContact CD2-CG1 3.38Å; F288-I403 HydrophobicContact CE2-CG1 4.01Å; F288-I403 HydrophobicContact CG-CD1 3.94Å; F288-I403 HydrophobicContact CG-CG1 3.78Å; F288-I406 HydrophobicContact CD2-CD1 4.46Å; F288-I406 HydrophobicContact CE2-CD1 4.01Å
289A76.8Confident73.9Confident1 Ų123 Ų231%0.00813%0.127CC..Hα-helixtrans-63.4-38.2175.200000112.2L285 F286 R293 I384 Y388L285-A289 PolarHBondContact O-N 3.36Å; F286-A289 PolarHBondContact O-N 3.28Å; A289-R293 WeakPolarHBondContact O-CB 3.5Å; A289-R293 PolarHBondContact O-N 3.25Å; A289-I384 HydrophobicContact CB-CD1 4.01Å; A289-I384 HydrophobicContact CB-CG1 3.91Å; A289-I384 HydrophobicContact CB-CG2 4.01Å; A289-Y388 HydrophobicContact CB-CE2 3.75Å; A289-Y388 WeakPolarHBondContact CB-OH 3.21Å
290Y72.8Confident72.9Confident8 Ų825.1 Ų25.13%0.03114%0.142CC..Hα-helixtrans-63.6-50177.2-175.4-96.3000111.6F286 G287 F288 C292 R293 I294 F365 T369 V377 F380F286-Y290 WeakPolarHBondContact O-CB 3.36Å; F286-Y290 PolarHBondContact O-N 2.81Å; G287-Y290 PolarHBondContact O-N 3.48Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 2.96Å; Y290-C292 PolarHBondContact O-N 3.38Å; Y290-R293 WeakPolarHBondContact O-CB 3.36Å; Y290-R293 PolarHBondContact O-N 3.18Å; Y290-I294 HydrophobicContact CD1-CG1 3.95Å; Y290-I294 HydrophobicContact CD2-CG1 4.48Å; Y290-I294 HydrophobicContact CE1-CD1 4.24Å; Y290-I294 HydrophobicContact CE1-CG1 3.47Å; Y290-I294 VanDerWaalsContact CE1-CG1 3.47Å; Y290-I294 HydrophobicContact CE2-CD1 4.15Å; Y290-I294 HydrophobicContact CE2-CG1 4.05Å; Y290-I294 HydrophobicContact CG-CG1 4.43Å; Y290-I294 WeakPolarHBondContact O-CG1 3.45Å; Y290-I294 PolarHBondContact O-N 3Å; Y290-F365 AromaticContact CD1-CD1 3.65Å; Y290-F365 HydrophobicContact CD1-CD1 3.65Å; Y290-F365 AromaticContact CD1-CE1 3.4Å; Y290-F365 HydrophobicContact CD1-CE1 3.4Å; Y290-F365 VanDerWaalsContact CD1-CE1 3.4Å; Y290-F365 AromaticContact CD2-CD1 3.49Å; Y290-F365 HydrophobicContact CD2-CD1 3.49Å; Y290-F365 VanDerWaalsContact CD2-CD1 3.49Å; Y290-F365 AromaticContact CD2-CE1 3.62Å; Y290-F365 HydrophobicContact CD2-CE1 3.62Å; Y290-F365 HydrophobicContact CD2-CG 4.49Å; Y290-F365 AromaticContact CE1-CD1 3.64Å; Y290-F365 HydrophobicContact CE1-CD1 3.64Å; Y290-F365 AromaticContact CE1-CE1 3.9Å; Y290-F365 HydrophobicContact CE1-CE1 3.9Å; Y290-F365 AromaticContact CE2-CD1 3.5Å; Y290-F365 HydrophobicContact CE2-CD1 3.5Å; Y290-F365 VanDerWaalsContact CE2-CD1 3.5Å; Y290-F365 HydrophobicContact CE2-CE1 4.1Å; Y290-F365 HydrophobicContact CE2-CG 4.38Å; Y290-F365 AromaticContact CG-CD1 3.56Å; Y290-F365 HydrophobicContact CG-CD1 3.56Å; Y290-F365 AromaticContact CG-CE1 3.24Å; Y290-F365 HydrophobicContact CG-CE1 3.24Å; Y290-F365 HydrophobicContact CG-CZ 4.33Å; Y290-F365 AromaticContact CZ-CD1 3.58Å; Y290-T369 HydrophobicContact CD1-CG2 4.43Å; Y290-T369 HydrophobicContact CE1-CG2 3.39Å; Y290-T369 VanDerWaalsContact OH-CB 3.27Å; Y290-T369 WeakPolarHBondContact OH-CB 3.26Å; Y290-T369 WeakPolarHBondContact OH-CG2 3.39Å; Y290-T369 PolarHBondContact OH-OG1 3.31Å; Y290-V377 HydrophobicContact CE2-CG1 4.49Å; Y290-V377 HydrophobicContact CE2-CG2 4.26Å; Y290-F380 HydrophobicContact CD2-CD2 4.16Å; Y290-F380 AromaticContact CE2-CD2 3.82Å; Y290-F380 HydrophobicContact CE2-CD2 3.82Å; Y290-F380 HydrophobicContact CE2-CE2 4.24Å
291D75.7Confident71.9Confident2 Ų230 Ų301%0.01117%0.168CC..Hα-helixtrans-57.3-49.8176.5176.475.2000112R240 G287 F288 R293 I294 N295 L302 L303R240-D291 IonicContact NH1-OD2 2.8Å; R240-D291 PolarHBondContact NH1-OD2 3.14Å; G287-D291 WeakPolarHBondContact O-CB 3.05Å; G287-D291 PolarHBondContact O-N 3.01Å; F288-D291 PolarHBondContact O-N 2.99Å; D291-R293 PolarHBondContact O-N 2.99Å; D291-R293 VanDerWaalsContact O-N 3.15Å; D291-I294 PolarHBondContact O-N 2.91Å; D291-N295 WeakPolarHBondContact O-CB 3.31Å; D291-N295 PolarHBondContact O-N 3.08Å; D291-N295 PolarHBondContact O-ND2 2.98Å; D291-N295 PolarHBondContact OD1-ND2 3.28Å; D291-L302 WeakPolarHBondContact OD1-CB 3.37Å; D291-L303 HydrophobicContact CB-CB 4.01Å; D291-L303 HydrophobicContact CB-CD1 3.7Å; D291-L303 HydrophobicContact CB-CG 4.49Å; D291-L303 PolarHBondContact OD1-N 2.99Å
292C76.4Confident70.7Confident0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-59-30.4177.3-680000111.8P236 W237 R240 F288 Y290 D296 G297P236-C292 HydrophobicContact CB-CB 4.32Å; P236-C292 VanDerWaalsContact CB-O 3.26Å; P236-C292 WeakPolarHBondContact CB-O 3.23Å; W237-C292 HydrophobicContact CB-CB 3.82Å; R240-C292 VanDerWaalsContact CD-SG 3.53Å; R240-C292 PolarHBondContact NH1-SG 2.9Å; R240-C292 VanDerWaalsContact NH1-SG 3.43Å; F288-C292 VanDerWaalsContact CZ-SG 3.55Å; F288-C292 WeakPolarHBondContact O-CB 3.09Å; F288-C292 PolarHBondContact O-N 2.99Å; F288-C292 PolarHBondContact O-SG 3.41Å; Y290-C292 PolarHBondContact O-N 3.38Å; C292-D296 CarbonylContact O-C 3.56Å; C292-D296 PolarHBondContact O-N 3.23Å; C292-G297 WeakPolarHBondContact O-CA 3.4Å; C292-G297 PolarHBondContact O-N 2.86Å
293R74.6Confident69.5Low1 Ų130.4 Ų30.40%0.00417%0.168CC..Hα-helixtrans-77.9-52179.6-171.5170.4-74.4-88.91.5111.7L230 L233 P236 A289 Y290 D291 N295 D296 F380 E387L230-R293 WeakPolarHBondContact CD2-O 3.27Å; L230-R293 PolarHBondContact O-NH1 2.78Å; L233-R293 VanDerWaalsContact O-CZ 3.3Å; L233-R293 PolarHBondContact O-NH1 3.46Å; L233-R293 PolarHBondContact O-NH2 3.18Å; P236-R293 HydrophobicContact CG-CB 3.92Å; P236-R293 HydrophobicContact CG-CG 3.96Å; A289-R293 WeakPolarHBondContact O-CB 3.5Å; A289-R293 PolarHBondContact O-N 3.25Å; Y290-R293 WeakPolarHBondContact O-CB 3.36Å; Y290-R293 PolarHBondContact O-N 3.18Å; D291-R293 PolarHBondContact O-N 2.99Å; D291-R293 VanDerWaalsContact O-N 3.15Å; R293-N295 PolarHBondContact O-N 3.43Å; R293-D296 PolarHBondContact O-N 3.12Å; R293-D296 VanDerWaalsContact O-N 3.07Å; R293-F380 HydrophobicContact CG-CD1 4.33Å; R293-F380 HydrophobicContact CG-CE1 3.95Å; R293-F380 HydrophobicContact CG-CZ 4.24Å; R293-E387 IonicContact NH2-OE1 3.58Å; R293-E387 PolarHBondContact NH2-OE1 3.44Å
294I70.8Confident68.8Low32 Ų3230.1 Ų30.116%0.16417%0.166CC..Hα-helixtrans-56.7-35.2179.8-67.2-57.6000111.8L230 Y290 D291 L302 F380L230-I294 HydrophobicContact CD1-CD1 4.1Å; Y290-I294 HydrophobicContact CD1-CG1 3.95Å; Y290-I294 HydrophobicContact CD2-CG1 4.48Å; Y290-I294 HydrophobicContact CE1-CD1 4.24Å; Y290-I294 HydrophobicContact CE1-CG1 3.47Å; Y290-I294 VanDerWaalsContact CE1-CG1 3.47Å; Y290-I294 HydrophobicContact CE2-CD1 4.15Å; Y290-I294 HydrophobicContact CE2-CG1 4.05Å; Y290-I294 HydrophobicContact CG-CG1 4.43Å; Y290-I294 WeakPolarHBondContact O-CG1 3.45Å; Y290-I294 PolarHBondContact O-N 3Å; D291-I294 PolarHBondContact O-N 2.91Å; I294-L302 HydrophobicContact CG2-CD1 4.1Å; I294-F380 HydrophobicContact CD1-CE2 4.04Å
295N71.4Confident67.7Low26 Ų2632.8 Ų32.814%0.13918%0.181CC..THydrogen-bonded Turntrans-97.617-178.9-57.1-52.1000113.7D291 R293 G297 D298 C300D291-N295 WeakPolarHBondContact O-CB 3.31Å; D291-N295 PolarHBondContact O-N 3.08Å; D291-N295 PolarHBondContact O-ND2 2.98Å; D291-N295 PolarHBondContact OD1-ND2 3.28Å; R293-N295 PolarHBondContact O-N 3.43Å; N295-G297 PolarHBondContact O-N 2.96Å; N295-D298 WeakPolarHBondContact O-CB 3.08Å; N295-D298 PolarHBondContact O-N 3.07Å; N295-C300 HydrophobicContact CB-CB 3.95Å; N295-C300 VanDerWaalsContact ND2-CB 3.35Å; N295-C300 WeakPolarHBondContact ND2-CB 3.44Å; N295-C300 WeakPolarHBondContact OD1-CB 3.44Å
296D71.6Confident66.4Low59 Ų5932.9 Ų32.932%0.31618%0.181SC..THydrogen-bonded Turntrans53.224.7-178.3-161.614.4000114.8H229 L233 R239 C292 R293H229-D296 IonicContact CE1-OD2 3.93Å; L233-D296 HydrophobicContact CD1-CB 4.33Å; L233-D296 VanDerWaalsContact CD1-OD1 3.23Å; L233-D296 WeakPolarHBondContact CD1-OD1 3.3Å; L233-D296 WeakPolarHBondContact CD2-OD1 3.47Å; R239-D296 IonicContact CZ-OD1 2.76Å; R239-D296 IonicContact NH1-OD1 3.74Å; R239-D296 PolarHBondContact NH2-O 3.1Å; R239-D296 IonicContact NH2-OD1 3.18Å; R239-D296 PolarHBondContact NH2-OD1 2.73Å; C292-D296 CarbonylContact O-C 3.56Å; C292-D296 PolarHBondContact O-N 3.23Å; R293-D296 PolarHBondContact O-N 3.12Å; R293-D296 VanDerWaalsContact O-N 3.07Å
297G66.9Low65.4Low14 Ų1432.6 Ų32.614%0.14418%0.18CC..THydrogen-bonded Turntrans91.3-4.3-178.600000114.5C292 N295C292-G297 WeakPolarHBondContact O-CA 3.4Å; C292-G297 PolarHBondContact O-N 2.86Å; N295-G297 PolarHBondContact O-N 2.96Å
298D67.7Low64.5Low112 Ų11235 Ų3560%0.59919%0.189SC*.  trans-74.3154178.8-72.9-21.3000112.7N295 C300N295-D298 WeakPolarHBondContact O-CB 3.08Å; N295-D298 PolarHBondContact O-N 3.07Å; D298-C300 PolarHBondContact O-N 3.22Å
299D61.3Low63.2Low132 Ų13237.3 Ų37.371%0.70620%0.197SC*.  trans-71.499.1175.7-70.2-28.8000110.2R240R240-D299 IonicContact CZ-OD1 3.82Å; R240-D299 VanDerWaalsContact CZ-OD1 3.26Å; R240-D299 IonicContact NE-OD1 2.63Å; R240-D299 PolarHBondContact NE-OD1 3.5Å; R240-D299 VanDerWaalsContact NE-OD1 3.12Å; R240-D299 IonicContact NH2-OD1 3.73Å; R240-D299 PolarHBondContact NH2-OD1 3.27Å
300C54.1Low61.8Low51 Ų5137.8 Ų37.835%0.34520%0.2SC..  trans-126.2149.9174.3-84.70000111.8N295 D298 L302N295-C300 HydrophobicContact CB-CB 3.95Å; N295-C300 VanDerWaalsContact ND2-CB 3.35Å; N295-C300 WeakPolarHBondContact ND2-CB 3.44Å; N295-C300 WeakPolarHBondContact OD1-CB 3.44Å; D298-C300 PolarHBondContact O-N 3.22Å; C300-L302 PolarHBondContact O-N 2.83Å
301N54.6Low60.7Low108 Ų10838.1 Ų38.158%0.57820%0.202SC*.THydrogen-bonded Turntrans-69.71.7-173.1-62.2-41.5000114.4L303 V304 T410N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.49Å; N301-V304 WeakPolarHBondContact O-CB 3.28Å; N301-V304 PolarHBondContact O-N 3.11Å; N301-T410 HydrophobicContact CB-CG2 3.86Å; N301-T410 WeakPolarHBondContact OD1-CG2 2.89Å; N301-T410 PolarHBondContact OD1-OG1 3.47Å
302L53.6Low59.3Low68 Ų6838.4 Ų38.436%0.35620%0.204SC..Hα-helixtrans-72.9-26.1-175.2-66.6176.9000112.8D291 I294 C300 V304 D305 E306D291-L302 WeakPolarHBondContact OD1-CB 3.37Å; I294-L302 HydrophobicContact CG2-CD1 4.1Å; C300-L302 PolarHBondContact O-N 2.83Å; L302-V304 PolarHBondContact O-N 3.44Å; L302-D305 PolarHBondContact O-N 3.11Å; L302-D305 VanDerWaalsContact O-N 3.09Å; L302-E306 PolarHBondContact O-N 3.39Å
303L54.3Low57.6Low0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-53.8-38.6173.3-173.469.2000111.1F288 D291 N301 E306 I307 I403 I406 F407F288-L303 VanDerWaalsContact CA-CD1 3.46Å; F288-L303 HydrophobicContact CB-CD1 4.06Å; F288-L303 HydrophobicContact CD2-CD1 4.13Å; F288-L303 HydrophobicContact CD2-CD2 4.07Å; D291-L303 HydrophobicContact CB-CB 4.01Å; D291-L303 HydrophobicContact CB-CD1 3.7Å; D291-L303 HydrophobicContact CB-CG 4.49Å; D291-L303 PolarHBondContact OD1-N 2.99Å; N301-L303 VanDerWaalsContact C-N 3.35Å; N301-L303 PolarHBondContact O-N 3.49Å; L303-E306 PolarHBondContact O-N 2.82Å; L303-I307 HydrophobicContact CD1-CD1 3.49Å; L303-I307 VanDerWaalsContact CD1-CD1 3.49Å; L303-I307 HydrophobicContact CD1-CG1 3.91Å; L303-I307 HydrophobicContact CD2-CD1 3.98Å; L303-I307 HydrophobicContact CG-CD1 3.57Å; L303-I307 HydrophobicContact CG-CG1 4.09Å; L303-I307 VanDerWaalsContact O-CB 3.26Å; L303-I307 WeakPolarHBondContact O-CB 2.97Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.34Å; L303-I307 PolarHBondContact O-N 2.79Å; L303-I403 HydrophobicContact CD2-CB 4.48Å; L303-I403 HydrophobicContact CD2-CG1 4.22Å; L303-I403 HydrophobicContact CD2-CG2 4.28Å; L303-I406 HydrophobicContact CB-CG2 4.16Å; L303-I406 HydrophobicContact CD2-CB 3.93Å; L303-I406 HydrophobicContact CD2-CD1 3.43Å; L303-I406 VanDerWaalsContact CD2-CD1 3.43Å; L303-I406 HydrophobicContact CD2-CG1 4.28Å; L303-I406 HydrophobicContact CD2-CG2 3.73Å; L303-I406 HydrophobicContact CG-CG2 4.49Å; L303-F407 HydrophobicContact CD2-CE1 4.22Å; L303-F407 HydrophobicContact CG-CE1 4.29Å
304V56.8Low56.1Low3 Ų342.6 Ų42.62%0.01822%0.222CC..Hα-helixtrans-65.2-49.1179.6172.20000110N301 L302 E306 I307 R308 F407 T410 V414N301-V304 WeakPolarHBondContact O-CB 3.28Å; N301-V304 PolarHBondContact O-N 3.11Å; L302-V304 PolarHBondContact O-N 3.44Å; V304-E306 VanDerWaalsContact C-N 3.3Å; V304-E306 PolarHBondContact O-N 3.44Å; V304-I307 PolarHBondContact O-N 2.98Å; V304-R308 HydrophobicContact CG1-CG 4.03Å; V304-R308 WeakPolarHBondContact O-CA 3.38Å; V304-R308 WeakPolarHBondContact O-CB 3.5Å; V304-R308 WeakPolarHBondContact O-CD 3.32Å; V304-R308 WeakPolarHBondContact O-CG 3.23Å; V304-R308 PolarHBondContact O-N 2.89Å; V304-F407 HydrophobicContact CG2-CD1 3.96Å; V304-F407 HydrophobicContact CG2-CE1 4.06Å; V304-T410 HydrophobicContact CB-CG2 4.08Å; V304-T410 HydrophobicContact CG2-CG2 3.35Å; V304-V414 HydrophobicContact CB-CG1 4.3Å; V304-V414 HydrophobicContact CG1-CB 4.32Å; V304-V414 HydrophobicContact CG1-CG1 3.8Å; V304-V414 HydrophobicContact CG1-CG2 3.47Å; V304-V414 VanDerWaalsContact CG1-CG2 3.47Å; V304-V414 HydrophobicContact CG2-CG1 3.59Å; V304-V414 HydrophobicContact CG2-CG2 4.31Å
305D55.5Low54.4Low56 Ų5642.1 Ų42.130%0.29922%0.22SC..Hα-helixtrans-64.4-33.5178.3-76.8-17.2000113.3L302 R308 R309L302-D305 PolarHBondContact O-N 3.11Å; L302-D305 VanDerWaalsContact O-N 3.09Å; D305-R308 IonicContact OD1-CZ 2.76Å; D305-R308 IonicContact OD1-NH1 3.99Å; D305-R308 PolarHBondContact OD1-NH1 3.47Å; D305-R309 VanDerWaalsContact O-CD 3.27Å; D305-R309 WeakPolarHBondContact O-CD 3.21Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.37Å
306E53.1Low52.5Low12 Ų1245 Ų456%0.05623%0.229CC..Hα-helixtrans-75.8-43.3178.3-163.357.1-138.800112L302 L303 V304 R309 T310 F365 T369L302-E306 PolarHBondContact O-N 3.39Å; L303-E306 PolarHBondContact O-N 2.82Å; V304-E306 VanDerWaalsContact C-N 3.3Å; V304-E306 PolarHBondContact O-N 3.44Å; E306-R309 PolarHBondContact O-N 3.15Å; E306-T310 PolarHBondContact O-N 3.23Å; E306-T310 VanDerWaalsContact O-N 3.08Å; E306-T310 PolarHBondContact O-OG1 2.95Å; E306-F365 HydrophobicContact CG-CE1 3.74Å; E306-F365 HydrophobicContact CG-CZ 3.97Å; E306-F365 WeakPolarHBondContact OE1-CE1 3.26Å; E306-F365 WeakPolarHBondContact OE1-CZ 3.37Å; E306-T369 WeakPolarHBondContact OE2-CG2 3.19Å
307I53.1Low50.5Low0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-74.7-34.1178.3-64.5-175.8000111.9I284 L303 V304 R309 T310 F311 I403 F407I284-I307 HydrophobicContact CG2-CD1 4.32Å; L303-I307 HydrophobicContact CD1-CD1 3.49Å; L303-I307 VanDerWaalsContact CD1-CD1 3.49Å; L303-I307 HydrophobicContact CD1-CG1 3.91Å; L303-I307 HydrophobicContact CD2-CD1 3.98Å; L303-I307 HydrophobicContact CG-CD1 3.57Å; L303-I307 HydrophobicContact CG-CG1 4.09Å; L303-I307 VanDerWaalsContact O-CB 3.26Å; L303-I307 WeakPolarHBondContact O-CB 2.97Å; L303-I307 VanDerWaalsContact O-CG1 3.3Å; L303-I307 WeakPolarHBondContact O-CG1 3.34Å; L303-I307 PolarHBondContact O-N 2.79Å; V304-I307 PolarHBondContact O-N 2.98Å; I307-R309 PolarHBondContact O-N 2.71Å; I307-R309 VanDerWaalsContact O-N 3.1Å; I307-T310 PolarHBondContact O-N 2.89Å; I307-T310 VanDerWaalsContact O-N 3.14Å; I307-F311 HydrophobicContact CG2-CD2 3.16Å; I307-F311 HydrophobicContact CG2-CE2 3.15Å; I307-F311 HydrophobicContact CG2-CG 4.39Å; I307-F311 HydrophobicContact CG2-CZ 4.36Å; I307-F311 PolarHBondContact O-N 2.92Å; I307-F311 VanDerWaalsContact O-N 3.11Å; I307-I403 HydrophobicContact CD1-CG2 3.97Å; I307-F407 HydrophobicContact CB-CE1 4.2Å; I307-F407 HydrophobicContact CB-CZ 3.59Å; I307-F407 HydrophobicContact CD1-CE1 4.02Å; I307-F407 HydrophobicContact CD1-CE2 4.26Å; I307-F407 HydrophobicContact CD1-CZ 3.39Å; I307-F407 HydrophobicContact CG1-CZ 4.01Å; I307-F407 HydrophobicContact CG2-CE1 4.43Å; I307-F407 HydrophobicContact CG2-CE2 4.02Å; I307-F407 HydrophobicContact CG2-CZ 3.41Å; I307-F407 VanDerWaalsContact CG2-CZ 3.41Å
308R54.8Low48.7Very low50 Ų5051 Ų5119%0.18925%0.253CS..Hα-helixtrans-46.5-40.5168.9-85.2172.6176172.6-5.3110.8Q173 L174 V304 D305 F417Q173-R308 VanDerWaalsContact O-CZ 3.29Å; Q173-R308 PolarHBondContact O-NE 3.47Å; L174-R308 HydrophobicContact CB-CG 4.5Å; L174-R308 HydrophobicContact CD2-CG 4.38Å; L174-R308 VanDerWaalsContact O-CB 3.25Å; L174-R308 WeakPolarHBondContact O-CB 3.39Å; L174-R308 WeakPolarHBondContact O-CG 3.36Å; V304-R308 HydrophobicContact CG1-CG 4.03Å; V304-R308 WeakPolarHBondContact O-CA 3.38Å; V304-R308 WeakPolarHBondContact O-CB 3.5Å; V304-R308 WeakPolarHBondContact O-CD 3.32Å; V304-R308 WeakPolarHBondContact O-CG 3.23Å; V304-R308 PolarHBondContact O-N 2.89Å; D305-R308 IonicContact OD1-CZ 2.76Å; D305-R308 IonicContact OD1-NH1 3.99Å; D305-R308 PolarHBondContact OD1-NH1 3.47Å; R308-F417 HydrophobicContact CG-CE2 3.78Å; R308-F417 HydrophobicContact CG-CZ 4.15Å
309R51.5Low46.8Very low49 Ų4952.8 Ų52.819%0.18526%0.258CS..Hα-helixtrans-87.3-32.5-175.8-66.2170.4-176.8155.78.3113.2D176 D305 E306 I307 Y368D176-R309 IonicContact OD2-NE 3.69Å; D305-R309 VanDerWaalsContact O-CD 3.27Å; D305-R309 WeakPolarHBondContact O-CD 3.21Å; D305-R309 VanDerWaalsContact O-CG 3.3Å; D305-R309 WeakPolarHBondContact O-CG 3.37Å; E306-R309 PolarHBondContact O-N 3.15Å; I307-R309 PolarHBondContact O-N 2.71Å; I307-R309 VanDerWaalsContact O-N 3.1Å; R309-Y368 PolarHBondContact NH1-O 3.07Å
310T46.7Very low45.1Very low10 Ų1055.8 Ų55.86%0.06126%0.264CS..Hα-helixtrans-66.3-39.9178.6-57.60000112.4D283 E306 I307 S312D283-T310 HydrophobicContact CB-CG2 3.42Å; D283-T310 VanDerWaalsContact CB-CG2 3.42Å; E306-T310 PolarHBondContact O-N 3.23Å; E306-T310 VanDerWaalsContact O-N 3.08Å; E306-T310 PolarHBondContact O-OG1 2.95Å; I307-T310 PolarHBondContact O-N 2.89Å; I307-T310 VanDerWaalsContact O-N 3.14Å; T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 PolarHBondContact O-N 2.69Å
311F49.8Very low43.6Very low16 Ų1662.5 Ų62.57%0.0729%0.291CS..THydrogen-bonded Turntrans-76.1-9.3-177.6-83.3-59.6000115.7I284 I307 G313 F417 Y421 I422I284-F311 HydrophobicContact CD1-CE1 3.56Å; I284-F311 HydrophobicContact CD1-CE2 4.26Å; I284-F311 HydrophobicContact CD1-CZ 3.21Å; I284-F311 HydrophobicContact CG1-CE1 3.78Å; I284-F311 HydrophobicContact CG1-CE2 3.98Å; I284-F311 HydrophobicContact CG1-CZ 3.33Å; I307-F311 HydrophobicContact CG2-CD2 3.16Å; I307-F311 HydrophobicContact CG2-CE2 3.15Å; I307-F311 HydrophobicContact CG2-CG 4.39Å; I307-F311 HydrophobicContact CG2-CZ 4.36Å; I307-F311 PolarHBondContact O-N 2.92Å; I307-F311 VanDerWaalsContact O-N 3.11Å; F311-G313 PolarHBondContact O-N 2.65Å; F311-F417 HydrophobicContact CB-CE1 4.19Å; F311-F417 AromaticContact CD2-CD1 3.9Å; F311-F417 HydrophobicContact CD2-CD1 3.9Å; F311-F417 HydrophobicContact CD2-CE1 4.17Å; F311-F417 HydrophobicContact CE2-CD1 4.43Å; F311-F417 HydrophobicContact CG-CD1 4.48Å; F311-Y421 HydrophobicContact CB-CE2 3.94Å; F311-Y421 AromaticContact CD1-CD1 3.56Å; F311-Y421 HydrophobicContact CD1-CD1 3.56Å; F311-Y421 AromaticContact CD1-CD2 3.53Å; F311-Y421 HydrophobicContact CD1-CD2 3.53Å; F311-Y421 AromaticContact CD1-CE1 3.38Å; F311-Y421 HydrophobicContact CD1-CE1 3.38Å; F311-Y421 AromaticContact CD1-CE2 3.38Å; F311-Y421 HydrophobicContact CD1-CE2 3.38Å; F311-Y421 AromaticContact CD1-CG 3.62Å; F311-Y421 HydrophobicContact CD1-CG 3.62Å; F311-Y421 AromaticContact CD1-CZ 3.3Å; F311-Y421 AromaticContact CD2-CD2 3.98Å; F311-Y421 HydrophobicContact CD2-CD2 3.98Å; F311-Y421 HydrophobicContact CD2-CE2 4.13Å; F311-Y421 AromaticContact CE1-CD1 3.13Å; F311-Y421 HydrophobicContact CE1-CD1 3.13Å; F311-Y421 AromaticContact CE1-CD2 3.45Å; F311-Y421 HydrophobicContact CE1-CD2 3.45Å; F311-Y421 VanDerWaalsContact CE1-CD2 3.45Å; F311-Y421 AromaticContact CE1-CE1 3.51Å; F311-Y421 HydrophobicContact CE1-CE1 3.51Å; F311-Y421 AromaticContact CE1-CE2 3.82Å; F311-Y421 HydrophobicContact CE1-CE2 3.82Å; F311-Y421 AromaticContact CE1-CG 3.09Å; F311-Y421 HydrophobicContact CE1-CG 3.09Å; F311-Y421 AromaticContact CE1-CZ 3.84Å; F311-Y421 AromaticContact CE2-CD2 3.88Å; F311-Y421 HydrophobicContact CE2-CD2 3.88Å; F311-Y421 HydrophobicContact CE2-CE2 4.47Å; F311-Y421 HydrophobicContact CE2-CG 4.1Å; F311-Y421 AromaticContact CG-CD2 3.81Å; F311-Y421 HydrophobicContact CG-CD2 3.81Å; F311-Y421 HydrophobicContact CG-CE1 4.37Å; F311-Y421 AromaticContact CG-CE2 3.57Å; F311-Y421 HydrophobicContact CG-CE2 3.57Å; F311-Y421 HydrophobicContact CG-CG 4.32Å; F311-Y421 AromaticContact CG-CZ 3.88Å; F311-Y421 AromaticContact CZ-CD1 3.89Å; F311-Y421 HydrophobicContact CZ-CD1 3.89Å; F311-Y421 AromaticContact CZ-CD2 3.6Å; F311-Y421 HydrophobicContact CZ-CD2 3.6Å; F311-Y421 HydrophobicContact CZ-CE2 4.32Å; F311-Y421 AromaticContact CZ-CG 3.35Å; F311-Y421 HydrophobicContact CZ-CG 3.35Å; F311-I422 HydrophobicContact CE2-CD1 4.48Å; F311-I422 HydrophobicContact CZ-CD1 4.22Å
312S47Very low42.2Very low8 Ų862.8 Ų62.86%0.05630%0.296CS..THydrogen-bonded Turntrans-77.8-14-166.6-164.50000114.6I175 I177 L192 T310I175-S312 WeakPolarHBondContact CG2-OG 3.23Å; I177-S312 WeakPolarHBondContact CD1-O 3.19Å; I177-S312 WeakPolarHBondContact CD1-OG 3.2Å; I177-S312 WeakPolarHBondContact CG1-OG 3.38Å; L192-S312 VanDerWaalsContact CD1-CB 3.43Å; L192-S312 VanDerWaalsContact CD1-O 3.25Å; L192-S312 WeakPolarHBondContact CD1-O 3.33Å; L192-S312 WeakPolarHBondContact CD1-OG 3.49Å; L192-S312 WeakPolarHBondContact CD2-OG 3.09Å; T310-S312 VanDerWaalsContact C-N 3.29Å; T310-S312 PolarHBondContact O-N 2.69Å
313G40.6Very low40.7Very low9 Ų969 Ų699%0.09332%0.32CS..SBendtrans-16816.9-174.700000122.9R189 F311R189-G313 PolarHBondContact NE-O 2.9Å; R189-G313 VanDerWaalsContact NE-O 3.08Å; F311-G313 PolarHBondContact O-N 2.65Å
314R43.1Very low39.1Very low79 Ų7976.9 Ų76.930%0.29836%0.355SS..  trans-119.117.6-174.1-80.4-178.5-177.9-111.37.5118R316 A360R314-R316 PolarHBondContact O-N 3.38Å; R314-R316 VanDerWaalsContact O-N 3.07Å; R314-A360 VanDerWaalsContact NH2-CB 3.29Å
315I35.3Very low37.4Very low23 Ų2385.2 Ų85.212%0.11839%0.393CS..  trans-86.574.2172.1-52.9177.5000110.8G155 A276 Y421G155-I315 WeakPolarHBondContact O-CD1 3.46Å; A276-I315 HydrophobicContact CB-CG2 3.86Å; I315-Y421 HydrophobicContact CD1-CE1 3.66Å
316R31.5Very low35.8Very low87 Ų8790.6 Ų90.633%0.32842%0.42SS..  trans175.4104.4147.6-139.7172.1173.2160.5-6.8107.9R189 R314 E318R189-R316 PolarHBondContact NH2-O 3.02Å; R314-R316 PolarHBondContact O-N 3.38Å; R314-R316 VanDerWaalsContact O-N 3.07Å; R316-E318 HydrophobicContact CG-CG 4.18Å; R316-E318 IonicContact CZ-OE1 2.67Å; R316-E318 VanDerWaalsContact NE-CD 3.26Å; R316-E318 IonicContact NE-OE1 3Å; R316-E318 PolarHBondContact NE-OE1 3.45Å; R316-E318 IonicContact NE-OE2 2.96Å; R316-E318 IonicContact NH2-OE1 3.07Å; R316-E318 PolarHBondContact NH2-OE1 2.98Å
317L28.5Very low34.3Very low65 Ų6596.9 Ų96.934%0.3445%0.453SS..  trans-91.589.4159.4-87.9168.2000106.6F279F279-L317 HydrophobicContact CB-CD1 4.47Å; F279-L317 HydrophobicContact CD1-CD1 4.1Å; F279-L317 HydrophobicContact CD2-CB 4.18Å; F279-L317 HydrophobicContact CD2-CD1 3.3Å; F279-L317 HydrophobicContact CD2-CG 4.24Å; F279-L317 HydrophobicContact CE1-CD1 4.14Å; F279-L317 HydrophobicContact CE2-CB 4.18Å; F279-L317 HydrophobicContact CE2-CD1 3.27Å; F279-L317 HydrophobicContact CE2-CG 4.33Å; F279-L317 HydrophobicContact CG-CD1 3.71Å; F279-L317 HydrophobicContact CZ-CD1 3.74Å
318E29.3Very low32.7Very low133 Ų133108.1 Ų108.162%0.62150%0.495SS*.  trans-91.2132.6163.9-93-177.3-177.100110.4R316 K320R316-E318 HydrophobicContact CG-CG 4.18Å; R316-E318 IonicContact CZ-OE1 2.67Å; R316-E318 VanDerWaalsContact NE-CD 3.26Å; R316-E318 IonicContact NE-OE1 3Å; R316-E318 PolarHBondContact NE-OE1 3.45Å; R316-E318 IonicContact NE-OE2 2.96Å; R316-E318 IonicContact NH2-OE1 3.07Å; R316-E318 PolarHBondContact NH2-OE1 2.98Å; E318-K320 PolarHBondContact O-N 2.93Å
319H27.6Very low31.2Very low149 Ų149110.6 Ų110.669%0.6952%0.518SS*.  trans-58.1118.3171.6-76.9-96.9000110.4
320K25.5Very low29.8Very low196 Ų196113.5 Ų113.585%0.85254%0.544SS*.  trans-163.9110.6142.4-102.4159.5-169.6-175.60108.7E318E318-K320 PolarHBondContact O-N 2.93Å
321E23.4Very low28.8Very low191 Ų191124.2 Ų124.289%0.89359%0.585SS**  trans59.789157.4-56.4-172.4158.100118.4
322V25.5Very low27.6Very low115 Ų115129.8 Ų129.870%0.69762%0.62SS**  trans-126.9113151.2-175.80000108.7F324V322-F324 PolarHBondContact O-N 3.36Å
323K21.2Very low26.5Very low197 Ų197138.1 Ų138.186%0.85766%0.658SS**  trans-63.5119.9175.2-79.9173.9174.9173.80109.7
324F21.4Very low25.7Very low166 Ų166148.4 Ų148.473%0.72869%0.694SS**  trans-64.7129.4176.5-68.6-94.9000111.2V322V322-F324 PolarHBondContact O-N 3.36Å
325H21.7Very low24.9Very low179 Ų179154 Ų15483%0.82972%0.717SS**  trans-114.5110.8158.2-86.248000108.8I327H325-I327 PolarHBondContact O-N 3.23Å
326I20.5Very low24.6Very low168 Ų168159.2 Ų159.286%0.86275%0.752SS**  trans-23.9109.2170-56.3166.5000114.1
327I22.3Very low24.6Very low144 Ų144161.5 Ų161.574%0.73877%0.77SS**  trans-142.999.9148.5-54.2-178.5000108.3H325H325-I327 PolarHBondContact O-N 3.23Å
328R19.4Very low24.9Very low236 Ų236163 Ų16389%0.89179%0.786SS**  trans-72.1140.7158.8-94.8-179.3173.1174.9-2.5107.3
329P23.2Very low25.3Very low102 Ų102164.2 Ų164.266%0.66279%0.791SS**  -153.8141.992.132.8-11000117.8
330C21.7Very low26.3Very low110 Ų110160 Ų16074%0.74378%0.776SS**  49.990.5129.1-55.10000121.4
331Y25.5Very low27.3Very low235 Ų235159.9 Ų159.992%0.92277%0.77SS**  trans-161.764.6149.7-80-71.5000111.7
332V25.4Very low28.5Very low133 Ų133151.8 Ų151.881%0.80673%0.733SS**  trans-14856.7171.8-165.30000111
333E24Very low29.4Very low184 Ų184149.8 Ų149.886%0.8671%0.713SS**  trans-148.786.2168.3-85.8-172.5-17200109.8
334R24.2Very low30.6Very low224 Ų224146.6 Ų146.685%0.84570%0.699SS**SBendtrans170.3139.8149.8-91.5158.1-149.6-139.78.2107.7
335Y26.8Very low31.8Very low198 Ų198143.2 Ų143.278%0.77668%0.684SS**  trans95.3120.4174.3-50.1-69.7000117.5
336P29.1Very low32.9Very low131 Ų131137.6 Ų137.685%0.85166%0.659SS**  trans-74.4126.6176.731.6-32.9000110.5
337L31.1Very low33.8Very low136 Ų136132.7 Ų132.771%0.71263%0.634SS**  trans-92.8110.6-172-72.1159.4000112
338S33.9Very low34.6Very low96 Ų96131.1 Ų131.167%0.67163%0.631SS**  trans-88.9117.216750.70000112.3
339H38Very low35.7Very low158 Ų158121.4 Ų121.473%0.73160%0.597SS**  trans13.2104.3156.4-64.6-98000122.7
340T48Very low36.6Very low60 Ų60117.5 Ų117.537%0.36857%0.572SS.*  trans-147.4138.4133.732.70000109.6L342 R343 K344T340-L342 VanDerWaalsContact C-N 3.27Å; T340-L342 PolarHBondContact O-N 3.48Å; T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.05Å; T340-K344 PolarHBondContact O-N 2.67Å; T340-K344 VanDerWaalsContact O-N 3.13Å
341R48.1Very low37.5Very low195 Ų195116.9 Ų116.974%0.73657%0.565SS**Hα-helixtrans-63.1-33.4-178.6-86.7-177.3176.5-172.2-0.3112.4K344 K345R341-K344 CarbonylContact O-C 3.54Å; R341-K344 PolarHBondContact O-N 3.06Å; R341-K345 PolarHBondContact O-N 2.65Å
342L47.6Very low38.3Very low20 Ų20110.5 Ų110.511%0.10555%0.547CS..Hα-helixtrans-61.6-44.6173.8-124.2159.5000111.8T340 K344 K345 I346 K393 L432T340-L342 VanDerWaalsContact C-N 3.27Å; T340-L342 PolarHBondContact O-N 3.48Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-K344 PolarHBondContact O-N 3Å; L342-K345 PolarHBondContact O-N 3.02Å; L342-I346 HydrophobicContact CD2-CD1 3.51Å; L342-I346 HydrophobicContact CD2-CG1 4.1Å; L342-I346 WeakPolarHBondContact O-CB 3.32Å; L342-I346 WeakPolarHBondContact O-CG1 3.33Å; L342-I346 PolarHBondContact O-N 3.19Å; L342-K393 HydrophobicContact CD1-CD 4.16Å; L342-K393 HydrophobicContact CD1-CG 4.03Å; L342-L432 HydrophobicContact CD1-CB 3.33Å; L342-L432 HydrophobicContact CD1-CD1 3.69Å; L342-L432 HydrophobicContact CD1-CG 4.14Å; L342-L432 HydrophobicContact CD2-CD1 4.01Å; L342-L432 HydrophobicContact CG-CB 4.15Å; L342-L432 HydrophobicContact CG-CD1 3.98Å
343R43.7Very low39.3Very low73 Ų73104.5 Ų104.528%0.27551%0.511SS..Hα-helixtrans-58.7-45.4170.6-95.1-175173.3-178.6-1.4111.2T340 K345 I346 I347 F390T340-R343 WeakPolarHBondContact O-CB 3.49Å; T340-R343 PolarHBondContact O-N 3.05Å; R343-K345 PolarHBondContact O-N 2.8Å; R343-I346 PolarHBondContact O-N 2.85Å; R343-I347 HydrophobicContact CB-CD1 4.12Å; R343-I347 HydrophobicContact CG-CD1 4.45Å; R343-I347 WeakPolarHBondContact O-CA 3.47Å; R343-I347 WeakPolarHBondContact O-CB 3.22Å; R343-I347 WeakPolarHBondContact O-CD1 3.45Å; R343-I347 WeakPolarHBondContact O-CG1 3.5Å; R343-I347 PolarHBondContact O-N 3.05Å; R343-F390 PolarHBondContact NH2-O 3Å
344K46.1Very low40.3Very low131 Ų13198.9 Ų98.957%0.5748%0.483SS*.Hα-helixtrans-62-42.2175.7-70.3-172.9178.2-176.60112T340 R341 L342 V348T340-K344 PolarHBondContact O-N 2.67Å; T340-K344 VanDerWaalsContact O-N 3.13Å; R341-K344 CarbonylContact O-C 3.54Å; R341-K344 PolarHBondContact O-N 3.06Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-K344 PolarHBondContact O-N 3Å; K344-V348 WeakPolarHBondContact O-CB 3.42Å; K344-V348 WeakPolarHBondContact O-CG2 3.12Å; K344-V348 PolarHBondContact O-N 3.39Å
345K47.3Very low41.2Very low95 Ų9594.1 Ų94.141%0.41347%0.469SS..Hα-helixtrans-65-46.8177.5-76.5-175.7171.3-171.90111.8E274 R341 L342 R343 L349E274-K345 VanDerWaalsContact CD-NZ 3.33Å; E274-K345 IonicContact OE1-NZ 3.09Å; E274-K345 PolarHBondContact OE1-NZ 2.95Å; E274-K345 IonicContact OE2-NZ 3.19Å; E274-K345 PolarHBondContact OE2-NZ 2.8Å; R341-K345 PolarHBondContact O-N 2.65Å; L342-K345 PolarHBondContact O-N 3.02Å; R343-K345 PolarHBondContact O-N 2.8Å; K345-L349 WeakPolarHBondContact O-CD1 3.35Å; K345-L349 WeakPolarHBondContact O-CG 3.31Å; K345-L349 PolarHBondContact O-N 3.1Å
346I44.6Very low42.2Very low60 Ų6089.3 Ų89.331%0.30845%0.454SS..Hα-helixtrans-66.5-42.3178.1-66171.1000111.1L342 R343 L349 S350L342-I346 HydrophobicContact CD2-CD1 3.51Å; L342-I346 HydrophobicContact CD2-CG1 4.1Å; L342-I346 WeakPolarHBondContact O-CB 3.32Å; L342-I346 WeakPolarHBondContact O-CG1 3.33Å; L342-I346 PolarHBondContact O-N 3.19Å; R343-I346 PolarHBondContact O-N 2.85Å; I346-L349 PolarHBondContact O-N 3.2Å; I346-S350 WeakPolarHBondContact O-CB 3.35Å; I346-S350 PolarHBondContact O-N 2.93Å
347I39.2Very low43Very low65 Ų6583.7 Ų83.733%0.33342%0.416SS..Hα-helixtrans-70.5-34.9179.5-65.9166.6000111.7R343 S350R343-I347 HydrophobicContact CB-CD1 4.12Å; R343-I347 HydrophobicContact CG-CD1 4.45Å; R343-I347 WeakPolarHBondContact O-CA 3.47Å; R343-I347 WeakPolarHBondContact O-CB 3.22Å; R343-I347 WeakPolarHBondContact O-CD1 3.45Å; R343-I347 WeakPolarHBondContact O-CG1 3.5Å; R343-I347 PolarHBondContact O-N 3.05Å; I347-S350 WeakPolarHBondContact O-CA 3.01Å; I347-S350 WeakPolarHBondContact O-CB 3.42Å; I347-S350 PolarHBondContact O-N 3.24Å; I347-S350 PolarHBondContact O-OG 3.17Å
348V40.6Very low43.9Very low112 Ų11279.1 Ų79.168%0.67939%0.391SS*.Hα-helixtrans-74.8-31176.5170.70000111.9K344 S350K344-V348 WeakPolarHBondContact O-CB 3.42Å; K344-V348 WeakPolarHBondContact O-CG2 3.12Å; K344-V348 PolarHBondContact O-N 3.39Å; V348-S350 PolarHBondContact O-N 3.33Å
349L41.1Very low44.9Very low32 Ų3279.8 Ų79.817%0.16838%0.383CS..THydrogen-bonded Turntrans-67.9-13.4166.8-66.8168.2000111.9L278 F279 K345 I346 S353L278-L349 HydrophobicContact CB-CD1 4.05Å; L278-L349 HydrophobicContact CD1-CD1 3.67Å; L278-L349 HydrophobicContact CG-CD1 4.48Å; F279-L349 HydrophobicContact CE1-CD2 4.4Å; F279-L349 HydrophobicContact CE2-CD2 4.26Å; F279-L349 HydrophobicContact CZ-CD2 3.74Å; K345-L349 WeakPolarHBondContact O-CD1 3.35Å; K345-L349 WeakPolarHBondContact O-CG 3.31Å; K345-L349 PolarHBondContact O-N 3.1Å; I346-L349 PolarHBondContact O-N 3.2Å; L349-S353 WeakPolarHBondContact O-CB 3.49Å; L349-S353 PolarHBondContact O-N 2.79Å; L349-S353 PolarHBondContact O-OG 3.47Å
350S42.9Very low45.6Very low20 Ų2072.8 Ų72.814%0.1435%0.352CS..THydrogen-bonded Turntrans-89.3-8.9-162.3119.50000115.4I346 I347 V348 K354I346-S350 WeakPolarHBondContact O-CB 3.35Å; I346-S350 PolarHBondContact O-N 2.93Å; I347-S350 WeakPolarHBondContact O-CA 3.01Å; I347-S350 WeakPolarHBondContact O-CB 3.42Å; I347-S350 PolarHBondContact O-N 3.24Å; I347-S350 PolarHBondContact O-OG 3.17Å; V348-S350 PolarHBondContact O-N 3.33Å; S350-K354 VanDerWaalsContact O-CB 3.22Å; S350-K354 WeakPolarHBondContact O-CB 3.08Å; S350-K354 WeakPolarHBondContact O-CD 3.5Å; S350-K354 WeakPolarHBondContact O-CE 3.47Å; S350-K354 WeakPolarHBondContact O-CG 2.86Å; S350-K354 PolarHBondContact O-NZ 2.82Å; S350-K354 VanDerWaalsContact OG-CE 3.31Å; S350-K354 WeakPolarHBondContact OG-CE 3.45Å; S350-K354 PolarHBondContact OG-NZ 2.94Å
351T40.2Very low45.9Very low97 Ų9770 Ų7060%0.59534%0.335SS*.THydrogen-bonded Turntrans-94.7-42.7179.249.10000113
352D42.9Very low46.3Very low100 Ų10064.4 Ų64.454%0.53531%0.314SS..THydrogen-bonded Turntrans-101.8-33.4-178.7-76-42.4000113.9
353S46.8Very low46.7Very low8 Ų866.1 Ų66.16%0.05633%0.326CS..Hα-helixtrans-88.9-22.9-173.5-42.80000112.8R275 L349 F355 Q356 I357R275-S353 PolarHBondContact NH2-OG 3.08Å; L349-S353 WeakPolarHBondContact O-CB 3.49Å; L349-S353 PolarHBondContact O-N 2.79Å; L349-S353 PolarHBondContact O-OG 3.47Å; S353-F355 VanDerWaalsContact C-N 3.3Å; S353-F355 PolarHBondContact O-N 3.44Å; S353-Q356 PolarHBondContact O-N 2.91Å; S353-Q356 VanDerWaalsContact O-N 3.16Å; S353-I357 WeakPolarHBondContact O-CG1 3.4Å; S353-I357 PolarHBondContact O-N 3.06Å
354K45Very low47.3Very low65 Ų6563.2 Ų63.228%0.28332%0.315SS..Hα-helixtrans-48-54.3168.2-102.5-164.3-156.2147.60110.9S350 Q356 I357 F358 P385S350-K354 VanDerWaalsContact O-CB 3.22Å; S350-K354 WeakPolarHBondContact O-CB 3.08Å; S350-K354 WeakPolarHBondContact O-CD 3.5Å; S350-K354 WeakPolarHBondContact O-CE 3.47Å; S350-K354 WeakPolarHBondContact O-CG 2.86Å; S350-K354 PolarHBondContact O-NZ 2.82Å; S350-K354 VanDerWaalsContact OG-CE 3.31Å; S350-K354 WeakPolarHBondContact OG-CE 3.45Å; S350-K354 PolarHBondContact OG-NZ 2.94Å; K354-Q356 VanDerWaalsContact C-N 3.26Å; K354-Q356 PolarHBondContact O-N 3.34Å; K354-I357 PolarHBondContact O-N 3.34Å; K354-F358 VanDerWaalsContact C-CE2 3.43Å; K354-F358 HydrophobicContact CB-CD2 4.03Å; K354-F358 HydrophobicContact CB-CE2 3.3Å; K354-F358 HydrophobicContact CB-CZ 3.84Å; K354-F358 HydrophobicContact CD-CE2 3.66Å; K354-F358 HydrophobicContact CD-CZ 3.78Å; K354-F358 HydrophobicContact CG-CE2 3.46Å; K354-F358 VanDerWaalsContact CG-CE2 3.46Å; K354-F358 HydrophobicContact CG-CZ 3.5Å; K354-F358 WeakPolarHBondContact O-CB 3.45Å; K354-F358 WeakPolarHBondContact O-CD2 3.48Å; K354-F358 VanDerWaalsContact O-CE2 3.31Å; K354-F358 WeakPolarHBondContact O-CE2 3.28Å; K354-F358 WeakPolarHBondContact O-CG 3.26Å; K354-F358 PolarHBondContact O-N 2.96Å; K354-P385 HydrophobicContact CD-CB 4.01Å
355F42.3Very low47.8Very low124 Ų12457 Ų5754%0.54429%0.289SS..Hα-helixtrans-57.2-39.5-178.9-124.7-90.7000112.7S353 F358 H359S353-F355 VanDerWaalsContact C-N 3.3Å; S353-F355 PolarHBondContact O-N 3.44Å; F355-F358 PolarHBondContact O-N 3.16Å; F355-H359 AromaticContact CD1-CD2 3.43Å; F355-H359 VanDerWaalsContact CD1-CD2 3.43Å; F355-H359 WeakPolarHBondContact CD1-CD2 3.09Å; F355-H359 AromaticContact CD1-NE2 3.67Å; F355-H359 AromaticContact CE1-CD2 3.66Å; F355-H359 AromaticContact CE1-NE2 3.37Å; F355-H359 WeakPolarHBondContact CE1-NE2 3.5Å; F355-H359 WeakPolarHBondContact O-CB 3.35Å; F355-H359 PolarHBondContact O-CD2 3.11Å; F355-H359 PolarHBondContact O-N 3.45Å
356Q47.2Very low48.2Very low97 Ų9752.6 Ų52.645%0.45327%0.27SS..Hα-helixtrans-70.2-42.9179.7-66.5-175.5-6.200112.5S353 K354 F358 A360S353-Q356 PolarHBondContact O-N 2.91Å; S353-Q356 VanDerWaalsContact O-N 3.16Å; K354-Q356 VanDerWaalsContact C-N 3.26Å; K354-Q356 PolarHBondContact O-N 3.34Å; Q356-F358 VanDerWaalsContact C-N 3.32Å; Q356-A360 WeakPolarHBondContact O-CB 3.3Å; Q356-A360 PolarHBondContact O-N 3.1Å
357I47.6Very low48.5Very low14 Ų1449.9 Ų49.97%0.07226%0.256CS..Hα-helixtrans-63.8-41.5174.8-60.8166.2000110.1F279 V282 D283 S353 K354 A360 N361F279-I357 HydrophobicContact CD1-CD1 3.44Å; F279-I357 VanDerWaalsContact CD1-CD1 3.44Å; F279-I357 HydrophobicContact CD1-CG1 4.08Å; F279-I357 HydrophobicContact CE1-CD1 3.77Å; F279-I357 HydrophobicContact CE1-CG1 4.42Å; V282-I357 HydrophobicContact CB-CD1 4.32Å; V282-I357 HydrophobicContact CG1-CD1 3.84Å; V282-I357 HydrophobicContact CG1-CG2 4.36Å; D283-I357 WeakPolarHBondContact OD1-CG2 3.27Å; S353-I357 WeakPolarHBondContact O-CG1 3.4Å; S353-I357 PolarHBondContact O-N 3.06Å; K354-I357 PolarHBondContact O-N 3.34Å; I357-A360 WeakPolarHBondContact O-CB 3.3Å; I357-A360 PolarHBondContact O-N 2.95Å; I357-N361 WeakPolarHBondContact CG2-ND2 3.42Å; I357-N361 WeakPolarHBondContact O-CB 3.26Å; I357-N361 PolarHBondContact O-N 3.38Å; I357-N361 PolarHBondContact O-ND2 2.92Å
358F49.3Very low49.1Very low40 Ų4048 Ų4818%0.17525%0.245CC..Hα-helixtrans-66.1-48.6-180-60.1-38.9000112.5K354 F355 Q356 A360 N361 R362 F381 P385K354-F358 VanDerWaalsContact C-CE2 3.43Å; K354-F358 HydrophobicContact CB-CD2 4.03Å; K354-F358 HydrophobicContact CB-CE2 3.3Å; K354-F358 HydrophobicContact CB-CZ 3.84Å; K354-F358 HydrophobicContact CD-CE2 3.66Å; K354-F358 HydrophobicContact CD-CZ 3.78Å; K354-F358 HydrophobicContact CG-CE2 3.46Å; K354-F358 VanDerWaalsContact CG-CE2 3.46Å; K354-F358 HydrophobicContact CG-CZ 3.5Å; K354-F358 WeakPolarHBondContact O-CB 3.45Å; K354-F358 WeakPolarHBondContact O-CD2 3.48Å; K354-F358 VanDerWaalsContact O-CE2 3.31Å; K354-F358 WeakPolarHBondContact O-CE2 3.28Å; K354-F358 WeakPolarHBondContact O-CG 3.26Å; K354-F358 PolarHBondContact O-N 2.96Å; F355-F358 PolarHBondContact O-N 3.16Å; Q356-F358 VanDerWaalsContact C-N 3.32Å; F358-A360 VanDerWaalsContact C-N 3.25Å; F358-A360 PolarHBondContact O-N 2.76Å; F358-N361 PolarHBondContact O-N 3.18Å; F358-R362 WeakPolarHBondContact O-CB 3.37Å; F358-R362 PolarHBondContact O-N 3.14Å; F358-F381 HydrophobicContact CB-CD1 4.43Å; F358-F381 AromaticContact CD1-CD1 3.95Å; F358-F381 HydrophobicContact CD1-CD1 3.95Å; F358-P385 HydrophobicContact CD1-CG 4.43Å; F358-P385 HydrophobicContact CE1-CB 4.37Å; F358-P385 HydrophobicContact CE1-CG 3.33Å; F358-P385 HydrophobicContact CE2-CB 4.43Å; F358-P385 HydrophobicContact CE2-CG 3.82Å; F358-P385 HydrophobicContact CZ-CB 3.67Å; F358-P385 HydrophobicContact CZ-CG 2.98Å
359H53.7Low49.6Very low110 Ų11043.2 Ų43.251%0.50922%0.216SC..Hα-helixtrans-66.2-31.1176.7-90.4-86.3000112.7F355 P363F355-H359 AromaticContact CD1-CD2 3.43Å; F355-H359 VanDerWaalsContact CD1-CD2 3.43Å; F355-H359 WeakPolarHBondContact CD1-CD2 3.09Å; F355-H359 AromaticContact CD1-NE2 3.67Å; F355-H359 AromaticContact CE1-CD2 3.66Å; F355-H359 AromaticContact CE1-NE2 3.37Å; F355-H359 WeakPolarHBondContact CE1-NE2 3.5Å; F355-H359 WeakPolarHBondContact O-CB 3.35Å; F355-H359 PolarHBondContact O-CD2 3.11Å; F355-H359 PolarHBondContact O-N 3.45Å; H359-P363 WeakPolarHBondContact O-CD 3.07Å
360A53.3Low49.7Very low10 Ų1051 Ų518%0.08325%0.249CC..Hα-helixtrans-67.4-41.5176.700000113.8R314 Q356 I357 F358R314-A360 VanDerWaalsContact NH2-CB 3.29Å; Q356-A360 WeakPolarHBondContact O-CB 3.3Å; Q356-A360 PolarHBondContact O-N 3.1Å; I357-A360 WeakPolarHBondContact O-CB 3.3Å; I357-A360 PolarHBondContact O-N 2.95Å; F358-A360 VanDerWaalsContact C-N 3.25Å; F358-A360 PolarHBondContact O-N 2.76Å
361N54.2Low49.9Very low2 Ų251.2 Ų51.21%0.01125%0.25CS..Hα-helixtrans-84.1-30.5-175.1-78.5-28000111.2D283 I357 F358 R364 F365 F381D283-N361 PolarHBondContact OD1-ND2 3.24Å; I357-N361 WeakPolarHBondContact CG2-ND2 3.42Å; I357-N361 WeakPolarHBondContact O-CB 3.26Å; I357-N361 PolarHBondContact O-N 3.38Å; I357-N361 PolarHBondContact O-ND2 2.92Å; F358-N361 PolarHBondContact O-N 3.18Å; N361-R364 WeakPolarHBondContact O-CA 3.42Å; N361-R364 VanDerWaalsContact O-CB 3.28Å; N361-R364 WeakPolarHBondContact O-CB 3.4Å; N361-R364 PolarHBondContact O-N 2.94Å; N361-F365 HydrophobicContact CB-CD2 3.98Å; N361-F365 HydrophobicContact CB-CE2 3.77Å; N361-F365 VanDerWaalsContact O-CD2 3.26Å; N361-F365 WeakPolarHBondContact O-CD2 3.47Å; N361-F365 PolarHBondContact O-N 3.2Å; N361-F381 HydrophobicContact CB-CE1 3.84Å; N361-F381 HydrophobicContact CB-CZ 4.15Å
362R56.6Low50.4Low77 Ų7752.2 Ų52.229%0.29124%0.243SC..Hα-helixtrans-49.5-48.5-176.5-175.9175.3-174.3-178.8-1.1116F358 R364 V366 T378 F381F358-R362 WeakPolarHBondContact O-CB 3.37Å; F358-R362 PolarHBondContact O-N 3.14Å; R362-R364 PolarHBondContact O-N 3.49Å; R362-V366 WeakPolarHBondContact O-CG2 3.24Å; R362-V366 PolarHBondContact O-N 2.68Å; R362-T378 PolarHBondContact NE-OG1 3.05Å; R362-T378 PolarHBondContact NH2-OG1 3.36Å; R362-F381 VanDerWaalsContact CA-CE2 3.48Å; R362-F381 VanDerWaalsContact CA-CZ 3.4Å; R362-F381 HydrophobicContact CB-CD2 4.37Å; R362-F381 HydrophobicContact CB-CE2 3.6Å; R362-F381 HydrophobicContact CB-CZ 3.93Å; R362-F381 HydrophobicContact CG-CD2 4.45Å; R362-F381 HydrophobicContact CG-CE2 3.83Å
363P56.7Low50.7Low56 Ų5647.6 Ų47.636%0.36422%0.219SC..Hα-helixtrans-62.6-33.1178.1-20.532.3000112.9H359 G367H359-P363 WeakPolarHBondContact O-CD 3.07Å; P363-G367 PolarHBondContact O-N 3.36Å
364R56.4Low50.8Low12 Ų1247.6 Ų47.65%0.04522%0.219CC..Hα-helixtrans-67.2-53.3-179-59.3174.3174.5-165.9-18.9110.4E196 N361 R362 V366 G367 Y368E196-R364 HydrophobicContact CG-CG 4.1Å; E196-R364 IonicContact OE1-CZ 2.62Å; E196-R364 IonicContact OE1-NE 3.06Å; E196-R364 PolarHBondContact OE1-NE 3.34Å; E196-R364 IonicContact OE1-NH2 3.81Å; E196-R364 PolarHBondContact OE1-NH2 2.87Å; E196-R364 IonicContact OE2-NE 2.8Å; E196-R364 PolarHBondContact OE2-NE 3.23Å; E196-R364 IonicContact OE2-NH2 2.65Å; N361-R364 WeakPolarHBondContact O-CA 3.42Å; N361-R364 VanDerWaalsContact O-CB 3.28Å; N361-R364 WeakPolarHBondContact O-CB 3.4Å; N361-R364 PolarHBondContact O-N 2.94Å; R362-R364 PolarHBondContact O-N 3.49Å; R364-V366 PolarHBondContact O-N 3.16Å; R364-G367 PolarHBondContact O-N 2.96Å; R364-G367 VanDerWaalsContact O-N 3.14Å; R364-Y368 WeakPolarHBondContact O-CB 3.48Å; R364-Y368 VanDerWaalsContact O-CD2 3.31Å; R364-Y368 WeakPolarHBondContact O-CD2 3.43Å; R364-Y368 PolarHBondContact O-N 3.27Å
365F56.9Low50.8Low1 Ų145.8 Ų45.80%0.00421%0.214CC..Hα-helixtrans-59.8-36-179.9-76.3-81.3000112.1F286 Y290 E306 N361 T369 V377 F381F286-F365 HydrophobicContact CD1-CD2 4.46Å; F286-F365 HydrophobicContact CD1-CE1 4.19Å; F286-F365 AromaticContact CD1-CE2 3.46Å; F286-F365 HydrophobicContact CD1-CE2 3.46Å; F286-F365 VanDerWaalsContact CD1-CE2 3.46Å; F286-F365 AromaticContact CD1-CZ 3.3Å; F286-F365 HydrophobicContact CD1-CZ 3.3Å; F286-F365 HydrophobicContact CE1-CD1 4.33Å; F286-F365 AromaticContact CE1-CD2 3.79Å; F286-F365 HydrophobicContact CE1-CD2 3.79Å; F286-F365 AromaticContact CE1-CE1 3.78Å; F286-F365 HydrophobicContact CE1-CE1 3.78Å; F286-F365 AromaticContact CE1-CE2 3.19Å; F286-F365 HydrophobicContact CE1-CE2 3.19Å; F286-F365 HydrophobicContact CE1-CG 4.36Å; F286-F365 AromaticContact CE1-CZ 3.21Å; F286-F365 HydrophobicContact CE1-CZ 3.21Å; F286-F365 HydrophobicContact CZ-CE2 4.36Å; Y290-F365 AromaticContact CD1-CD1 3.65Å; Y290-F365 HydrophobicContact CD1-CD1 3.65Å; Y290-F365 AromaticContact CD1-CE1 3.4Å; Y290-F365 HydrophobicContact CD1-CE1 3.4Å; Y290-F365 VanDerWaalsContact CD1-CE1 3.4Å; Y290-F365 AromaticContact CD2-CD1 3.49Å; Y290-F365 HydrophobicContact CD2-CD1 3.49Å; Y290-F365 VanDerWaalsContact CD2-CD1 3.49Å; Y290-F365 AromaticContact CD2-CE1 3.62Å; Y290-F365 HydrophobicContact CD2-CE1 3.62Å; Y290-F365 HydrophobicContact CD2-CG 4.49Å; Y290-F365 AromaticContact CE1-CD1 3.64Å; Y290-F365 HydrophobicContact CE1-CD1 3.64Å; Y290-F365 AromaticContact CE1-CE1 3.9Å; Y290-F365 HydrophobicContact CE1-CE1 3.9Å; Y290-F365 AromaticContact CE2-CD1 3.5Å; Y290-F365 HydrophobicContact CE2-CD1 3.5Å; Y290-F365 VanDerWaalsContact CE2-CD1 3.5Å; Y290-F365 HydrophobicContact CE2-CE1 4.1Å; Y290-F365 HydrophobicContact CE2-CG 4.38Å; Y290-F365 AromaticContact CG-CD1 3.56Å; Y290-F365 HydrophobicContact CG-CD1 3.56Å; Y290-F365 AromaticContact CG-CE1 3.24Å; Y290-F365 HydrophobicContact CG-CE1 3.24Å; Y290-F365 HydrophobicContact CG-CZ 4.33Å; Y290-F365 AromaticContact CZ-CD1 3.58Å; E306-F365 HydrophobicContact CG-CE1 3.74Å; E306-F365 HydrophobicContact CG-CZ 3.97Å; E306-F365 WeakPolarHBondContact OE1-CE1 3.26Å; E306-F365 WeakPolarHBondContact OE1-CZ 3.37Å; N361-F365 HydrophobicContact CB-CD2 3.98Å; N361-F365 HydrophobicContact CB-CE2 3.77Å; N361-F365 VanDerWaalsContact O-CD2 3.26Å; N361-F365 WeakPolarHBondContact O-CD2 3.47Å; N361-F365 PolarHBondContact O-N 3.2Å; F365-T369 HydrophobicContact CB-CG2 4.41Å; F365-T369 HydrophobicContact CD1-CG2 3.93Å; F365-T369 WeakPolarHBondContact O-CB 3.06Å; F365-T369 VanDerWaalsContact O-CG2 3.25Å; F365-T369 WeakPolarHBondContact O-CG2 3.33Å; F365-T369 PolarHBondContact O-N 2.91Å; F365-T369 PolarHBondContact O-OG1 2.69Å; F365-V377 HydrophobicContact CB-CB 4.21Å; F365-V377 HydrophobicContact CB-CG1 3.24Å; F365-V377 HydrophobicContact CB-CG2 3.86Å; F365-V377 HydrophobicContact CG-CG1 3.9Å; F365-F381 HydrophobicContact CB-CZ 4.35Å; F365-F381 HydrophobicContact CD2-CE1 4.11Å; F365-F381 AromaticContact CD2-CZ 3.59Å; F365-F381 HydrophobicContact CD2-CZ 3.59Å; F365-F381 HydrophobicContact CE2-CE1 4.44Å; F365-F381 HydrophobicContact CE2-CZ 4.35Å; F365-F381 HydrophobicContact CG-CZ 4.15Å
366V54.7Low51.3Low3 Ų339.9 Ų39.92%0.01819%0.188CC..Hα-helixtrans-68.1-49.2173.5170.40000112.6F200 Y205 R362 R364 Y368 R372F200-V366 HydrophobicContact CD2-CG1 4.12Å; F200-V366 HydrophobicContact CE2-CB 4.26Å; F200-V366 HydrophobicContact CE2-CG1 3.61Å; Y205-V366 HydrophobicContact CD2-CB 4.26Å; Y205-V366 HydrophobicContact CD2-CG1 3.42Å; Y205-V366 VanDerWaalsContact CD2-CG1 3.42Å; Y205-V366 HydrophobicContact CD2-CG2 3.88Å; Y205-V366 HydrophobicContact CE2-CG1 4.36Å; Y205-V366 HydrophobicContact CE2-CG2 4.04Å; Y205-V366 HydrophobicContact CG-CG1 4.12Å; R362-V366 WeakPolarHBondContact O-CG2 3.24Å; R362-V366 PolarHBondContact O-N 2.68Å; R364-V366 PolarHBondContact O-N 3.16Å; V366-Y368 VanDerWaalsContact C-N 3.34Å; V366-Y368 PolarHBondContact O-N 3.35Å; V366-R372 WeakPolarHBondContact O-CA 3.08Å
367G50.3Low51.7Low2 Ų235.3 Ų35.32%0.02117%0.166CC..Hα-helixtrans-75.4-21.9-172.900000114.4P363 R364P363-G367 PolarHBondContact O-N 3.36Å; R364-G367 PolarHBondContact O-N 2.96Å; R364-G367 VanDerWaalsContact O-N 3.14Å
368Y51.6Low52Low27 Ų2737 Ų3711%0.10618%0.177CC..Hα-helixtrans-121.3-17.7-161.4-74.3-103.8000115.7K195 E196 K199 R309 R364 V366K195-Y368 PolarHBondContact O-OH 3.14Å; E196-Y368 VanDerWaalsContact CA-OH 3.24Å; E196-Y368 WeakPolarHBondContact CA-OH 3.23Å; E196-Y368 HydrophobicContact CB-CE2 4.41Å; E196-Y368 HydrophobicContact CG-CE2 4.12Å; E196-Y368 PolarHBondContact N-OH 2.99Å; K199-Y368 HydrophobicContact CB-CE1 4.24Å; K199-Y368 HydrophobicContact CB-CE2 3.8Å; K199-Y368 WeakPolarHBondContact CB-OH 3.4Å; K199-Y368 HydrophobicContact CD-CD1 3.59Å; K199-Y368 HydrophobicContact CD-CD2 4.42Å; K199-Y368 HydrophobicContact CD-CE1 3.26Å; K199-Y368 HydrophobicContact CD-CE2 4.11Å; K199-Y368 HydrophobicContact CD-CG 4.17Å; K199-Y368 HydrophobicContact CG-CD1 4.26Å; K199-Y368 HydrophobicContact CG-CD2 4.21Å; K199-Y368 HydrophobicContact CG-CE1 3.95Å; K199-Y368 HydrophobicContact CG-CE2 3.84Å; K199-Y368 HydrophobicContact CG-CG 4.39Å; R309-Y368 PolarHBondContact NH1-O 3.07Å; R364-Y368 WeakPolarHBondContact O-CB 3.48Å; R364-Y368 VanDerWaalsContact O-CD2 3.31Å; R364-Y368 WeakPolarHBondContact O-CD2 3.43Å; R364-Y368 PolarHBondContact O-N 3.27Å; V366-Y368 VanDerWaalsContact C-N 3.34Å; V366-Y368 PolarHBondContact O-N 3.35Å
369T51.4Low52.4Low11 Ų1137 Ų377%0.06718%0.181CC..SBendtrans-92.8154.3-176.371.70000110.8Y290 E306 F365 S371 R372Y290-T369 HydrophobicContact CD1-CG2 4.43Å; Y290-T369 HydrophobicContact CE1-CG2 3.39Å; Y290-T369 VanDerWaalsContact OH-CB 3.27Å; Y290-T369 WeakPolarHBondContact OH-CB 3.26Å; Y290-T369 WeakPolarHBondContact OH-CG2 3.39Å; Y290-T369 PolarHBondContact OH-OG1 3.31Å; E306-T369 WeakPolarHBondContact OE2-CG2 3.19Å; F365-T369 HydrophobicContact CB-CG2 4.41Å; F365-T369 HydrophobicContact CD1-CG2 3.93Å; F365-T369 WeakPolarHBondContact O-CB 3.06Å; F365-T369 VanDerWaalsContact O-CG2 3.25Å; F365-T369 WeakPolarHBondContact O-CG2 3.33Å; F365-T369 PolarHBondContact O-N 2.91Å; F365-T369 PolarHBondContact O-OG1 2.69Å; T369-S371 CarbonylContact O-C 3.55Å; T369-S371 PolarHBondContact O-N 2.77Å; T369-S371 PolarHBondContact OG1-O 2.93Å; T369-R372 VanDerWaalsContact O-CG 3.29Å; T369-R372 WeakPolarHBondContact O-CG 3.26Å; T369-R372 PolarHBondContact O-N 2.85Å
370F43.6Very low52.6Low195 Ų19531.7 Ų31.786%0.85516%0.157SC*.SBendtrans-56.7-40.9-178.6-176.9-100.2000111.4R372F370-R372 PolarHBondContact O-N 2.97Å
371S47.8Very low52.7Low24 Ų2432 Ų3217%0.16816%0.156CC..SBendtrans-81.187.9164.2130.20000107.4T369 S373 S376T369-S371 CarbonylContact O-C 3.55Å; T369-S371 PolarHBondContact O-N 2.77Å; T369-S371 PolarHBondContact OG1-O 2.93Å; S371-S373 PolarHBondContact O-N 2.97Å; S371-S376 WeakPolarHBondContact OG-CB 3.48Å; S371-S376 PolarHBondContact OG-OG 3.07Å
372R50Low52.9Low118 Ų11835.8 Ų35.845%0.44518%0.183SC..  trans-65.517.8172.7-65.4-175177.2-177.9-0.7113.7A204 V366 T369 F370 A374A204-R372 HydrophobicContact CB-CB 4.04Å; V366-R372 WeakPolarHBondContact O-CA 3.08Å; T369-R372 VanDerWaalsContact O-CG 3.29Å; T369-R372 WeakPolarHBondContact O-CG 3.26Å; T369-R372 PolarHBondContact O-N 2.85Å; F370-R372 PolarHBondContact O-N 2.97Å; R372-A374 PolarHBondContact O-N 3.26Å
373S49.8Very low52.9Low4 Ų434.9 Ų34.93%0.02818%0.184CC..  trans-82102.9-168.6-163.20000112.7D208 S371 T375 S376 V377D208-S373 WeakPolarHBondContact CB-OG 3.47Å; D208-S373 WeakPolarHBondContact OD1-CB 3.44Å; D208-S373 PolarHBondContact OD1-OG 3.34Å; D208-S373 WeakPolarHBondContact OD2-CA 3.33Å; D208-S373 WeakPolarHBondContact OD2-CB 3.07Å; D208-S373 PolarHBondContact OD2-N 2.8Å; D208-S373 VanDerWaalsContact OD2-N 3.1Å; S371-S373 PolarHBondContact O-N 2.97Å; S373-T375 PolarHBondContact O-N 2.92Å; S373-T375 WeakPolarHBondContact OG-CB 3.46Å; S373-T375 PolarHBondContact OG-N 2.88Å; S373-S376 WeakPolarHBondContact CB-OG 3.44Å; S373-S376 PolarHBondContact O-N 3.11Å; S373-S376 PolarHBondContact O-OG 2.86Å; S373-S376 PolarHBondContact OG-N 3.11Å; S373-V377 VanDerWaalsContact O-CG2 3.3Å; S373-V377 WeakPolarHBondContact O-CG2 2.99Å; S373-V377 PolarHBondContact O-N 2.83Å
374A48.6Very low52.9Low7 Ų732.4 Ų32.46%0.05817%0.167CC..Hα-helixtrans-37.4-40.615900000112.7Y205 R372 T378Y205-A374 HydrophobicContact CD2-CB 3.24Å; Y205-A374 HydrophobicContact CE1-CB 4.4Å; Y205-A374 HydrophobicContact CE2-CB 3.08Å; Y205-A374 HydrophobicContact CG-CB 4.05Å; R372-A374 PolarHBondContact O-N 3.26Å; A374-T378 VanDerWaalsContact O-CB 3.31Å; A374-T378 WeakPolarHBondContact O-CB 3.47Å; A374-T378 PolarHBondContact O-N 3.09Å; A374-T378 VanDerWaalsContact O-N 3.08Å; A374-T378 PolarHBondContact O-OG1 3.23Å
375T45.2Very low52.7Low28 Ų2832.9 Ų32.917%0.17217%0.172CC..Hα-helixtrans-77-33.1-172.5-49.50000112.4D208 K212 S373 P379D208-T375 VanDerWaalsContact C-OG1 3.28Å; D208-T375 PolarHBondContact O-OG1 3.47Å; K212-T375 HydrophobicContact CD-CG2 3.55Å; S373-T375 PolarHBondContact O-N 2.92Å; S373-T375 WeakPolarHBondContact OG-CB 3.46Å; S373-T375 PolarHBondContact OG-N 2.88Å; T375-P379 WeakPolarHBondContact O-CD 3.27Å; T375-P379 WeakPolarHBondContact O-CG 3.31Å
376S52.8Low52.6Low0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-75.9-45.517272.30000110.8S371 S373 P379 F380S371-S376 WeakPolarHBondContact OG-CB 3.48Å; S371-S376 PolarHBondContact OG-OG 3.07Å; S373-S376 WeakPolarHBondContact CB-OG 3.44Å; S373-S376 PolarHBondContact O-N 3.11Å; S373-S376 PolarHBondContact O-OG 2.86Å; S373-S376 PolarHBondContact OG-N 3.11Å; S376-P379 WeakPolarHBondContact O-CD 3.3Å; S376-F380 VanDerWaalsContact C-CD2 3.45Å; S376-F380 VanDerWaalsContact C-CE2 3.43Å; S376-F380 WeakPolarHBondContact O-CD2 3.36Å; S376-F380 WeakPolarHBondContact O-CE2 3.25Å; S376-F380 WeakPolarHBondContact O-CG 2.98Å
377V54.4Low52.7Low0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-74.4-39.2-169.7-168.90000112.6Y290 F365 S373 F380 F381Y290-V377 HydrophobicContact CE2-CG1 4.49Å; Y290-V377 HydrophobicContact CE2-CG2 4.26Å; F365-V377 HydrophobicContact CB-CB 4.21Å; F365-V377 HydrophobicContact CB-CG1 3.24Å; F365-V377 HydrophobicContact CB-CG2 3.86Å; F365-V377 HydrophobicContact CG-CG1 3.9Å; S373-V377 VanDerWaalsContact O-CG2 3.3Å; S373-V377 WeakPolarHBondContact O-CG2 2.99Å; S373-V377 PolarHBondContact O-N 2.83Å; V377-F380 WeakPolarHBondContact O-CB 3.37Å; V377-F380 PolarHBondContact O-N 2.75Å; V377-F380 VanDerWaalsContact O-N 3.13Å; V377-F381 HydrophobicContact CB-CE2 4.24Å; V377-F381 HydrophobicContact CG1-CD2 3.77Å; V377-F381 HydrophobicContact CG1-CE2 3.08Å; V377-F381 HydrophobicContact CG1-CZ 3.65Å; V377-F381 WeakPolarHBondContact O-CD2 3.19Å; V377-F381 PolarHBondContact O-N 3.27Å; V377-F381 VanDerWaalsContact O-N 3.15Å
378T55.4Low53Low49 Ų4938.2 Ų38.230%0.30121%0.206SC..Hα-helixtrans-60.8-46.1-174-53.60000113.3R362 A374 F381R362-T378 PolarHBondContact NE-OG1 3.05Å; R362-T378 PolarHBondContact NH2-OG1 3.36Å; A374-T378 VanDerWaalsContact O-CB 3.31Å; A374-T378 WeakPolarHBondContact O-CB 3.47Å; A374-T378 PolarHBondContact O-N 3.09Å; A374-T378 VanDerWaalsContact O-N 3.08Å; A374-T378 PolarHBondContact O-OG1 3.23Å; T378-F381 PolarHBondContact O-N 2.73Å
379P57Low53Low40 Ų4038.5 Ų38.526%0.2622%0.217SC..Hα-helixtrans-67.4-35173.6-17.329.8000112.9L231 T375 S376 F381 S382 L383L231-P379 HydrophobicContact CD1-CG 4.32Å; L231-P379 HydrophobicContact CD2-CB 3.38Å; L231-P379 HydrophobicContact CD2-CG 3.63Å; T375-P379 WeakPolarHBondContact O-CD 3.27Å; T375-P379 WeakPolarHBondContact O-CG 3.31Å; S376-P379 WeakPolarHBondContact O-CD 3.3Å; P379-F381 PolarHBondContact O-N 2.98Å; P379-S382 WeakPolarHBondContact O-CB 3.24Å; P379-S382 PolarHBondContact O-N 3.18Å; P379-S382 PolarHBondContact O-OG 3.02Å; P379-L383 WeakPolarHBondContact O-CG 3.2Å; P379-L383 PolarHBondContact O-N 3.3Å
380F59.1Low53Low0 Ų044.5 Ų44.50%024%0.242CC..Hα-helixtrans-57-38176.9-61.1-31.7000112L230 L231 Y290 R293 I294 S376 V377 S382 L383 I384L230-F380 HydrophobicContact CB-CE1 4.32Å; L230-F380 HydrophobicContact CB-CZ 3.85Å; L231-F380 HydrophobicContact CD2-CD1 3.78Å; L231-F380 HydrophobicContact CD2-CE1 3.46Å; L231-F380 VanDerWaalsContact CD2-CE1 3.46Å; L231-F380 HydrophobicContact CD2-CZ 4.18Å; L231-F380 HydrophobicContact CG-CE1 4Å; L231-F380 HydrophobicContact CG-CZ 4.46Å; Y290-F380 HydrophobicContact CD2-CD2 4.16Å; Y290-F380 AromaticContact CE2-CD2 3.82Å; Y290-F380 HydrophobicContact CE2-CD2 3.82Å; Y290-F380 HydrophobicContact CE2-CE2 4.24Å; R293-F380 HydrophobicContact CG-CD1 4.33Å; R293-F380 HydrophobicContact CG-CE1 3.95Å; R293-F380 HydrophobicContact CG-CZ 4.24Å; I294-F380 HydrophobicContact CD1-CE2 4.04Å; S376-F380 VanDerWaalsContact C-CD2 3.45Å; S376-F380 VanDerWaalsContact C-CE2 3.43Å; S376-F380 WeakPolarHBondContact O-CD2 3.36Å; S376-F380 WeakPolarHBondContact O-CE2 3.25Å; S376-F380 WeakPolarHBondContact O-CG 2.98Å; V377-F380 WeakPolarHBondContact O-CB 3.37Å; V377-F380 PolarHBondContact O-N 2.75Å; V377-F380 VanDerWaalsContact O-N 3.13Å; F380-S382 PolarHBondContact O-N 3.38Å; F380-L383 PolarHBondContact O-N 3.24Å; F380-L383 VanDerWaalsContact O-N 3.14Å; F380-I384 HydrophobicContact CB-CD1 4.35Å; F380-I384 VanDerWaalsContact O-CG1 3.31Å; F380-I384 WeakPolarHBondContact O-CG1 3.44Å; F380-I384 PolarHBondContact O-N 3.39Å
381F55.4Low53.9Low15 Ų1536.1 Ų36.17%0.06621%0.208CC..Hα-helixtrans-62.5-26.8175.1-74-67.6000114.3F286 F358 N361 R362 F365 V377 T378 P379 P385F286-F381 HydrophobicContact CD1-CE1 4.44Å; F286-F381 HydrophobicContact CD2-CD1 4.45Å; F286-F381 HydrophobicContact CE1-CD1 4.07Å; F286-F381 AromaticContact CE1-CE1 3.5Å; F286-F381 HydrophobicContact CE1-CE1 3.5Å; F286-F381 VanDerWaalsContact CE1-CE1 3.5Å; F286-F381 HydrophobicContact CE1-CZ 4.16Å; F286-F381 AromaticContact CE2-CD1 3.34Å; F286-F381 HydrophobicContact CE2-CD1 3.34Å; F286-F381 AromaticContact CE2-CE1 3.63Å; F286-F381 HydrophobicContact CE2-CE1 3.63Å; F286-F381 HydrophobicContact CE2-CG 4.33Å; F286-F381 AromaticContact CZ-CD1 3.11Å; F286-F381 HydrophobicContact CZ-CD1 3.11Å; F286-F381 AromaticContact CZ-CE1 3.01Å; F286-F381 HydrophobicContact CZ-CE1 3.01Å; F286-F381 HydrophobicContact CZ-CG 4.02Å; F286-F381 AromaticContact CZ-CZ 3.88Å; F286-F381 HydrophobicContact CZ-CZ 3.88Å; F358-F381 HydrophobicContact CB-CD1 4.43Å; F358-F381 AromaticContact CD1-CD1 3.95Å; F358-F381 HydrophobicContact CD1-CD1 3.95Å; N361-F381 HydrophobicContact CB-CE1 3.84Å; N361-F381 HydrophobicContact CB-CZ 4.15Å; R362-F381 VanDerWaalsContact CA-CE2 3.48Å; R362-F381 VanDerWaalsContact CA-CZ 3.4Å; R362-F381 HydrophobicContact CB-CD2 4.37Å; R362-F381 HydrophobicContact CB-CE2 3.6Å; R362-F381 HydrophobicContact CB-CZ 3.93Å; R362-F381 HydrophobicContact CG-CD2 4.45Å; R362-F381 HydrophobicContact CG-CE2 3.83Å; F365-F381 HydrophobicContact CB-CZ 4.35Å; F365-F381 HydrophobicContact CD2-CE1 4.11Å; F365-F381 AromaticContact CD2-CZ 3.59Å; F365-F381 HydrophobicContact CD2-CZ 3.59Å; F365-F381 HydrophobicContact CE2-CE1 4.44Å; F365-F381 HydrophobicContact CE2-CZ 4.35Å; F365-F381 HydrophobicContact CG-CZ 4.15Å; V377-F381 HydrophobicContact CB-CE2 4.24Å; V377-F381 HydrophobicContact CG1-CD2 3.77Å; V377-F381 HydrophobicContact CG1-CE2 3.08Å; V377-F381 HydrophobicContact CG1-CZ 3.65Å; V377-F381 WeakPolarHBondContact O-CD2 3.19Å; V377-F381 PolarHBondContact O-N 3.27Å; V377-F381 VanDerWaalsContact O-N 3.15Å; T378-F381 PolarHBondContact O-N 2.73Å; P379-F381 PolarHBondContact O-N 2.98Å; F381-P385 WeakPolarHBondContact O-CD 3.47Å; F381-P385 WeakPolarHBondContact O-CG 3.07Å
382S57.6Low55Low82 Ų8236.2 Ų36.257%0.57321%0.212SC*.Hα-helixtrans-81.3-29.1175.772.80000112.6P379 F380P379-S382 WeakPolarHBondContact O-CB 3.24Å; P379-S382 PolarHBondContact O-N 3.18Å; P379-S382 PolarHBondContact O-OG 3.02Å; F380-S382 PolarHBondContact O-N 3.38Å
383L56.3Low56.4Low58 Ų5831.9 Ų31.930%0.30420%0.196SC..Hα-helixtrans-80.1-49.6-176.8-65.5170.8000111.7P379 F380 P385 A386 E387P379-L383 WeakPolarHBondContact O-CG 3.2Å; P379-L383 PolarHBondContact O-N 3.3Å; F380-L383 PolarHBondContact O-N 3.24Å; F380-L383 VanDerWaalsContact O-N 3.14Å; L383-P385 VanDerWaalsContact C-CD 3.44Å; L383-A386 WeakPolarHBondContact O-CB 3.02Å; L383-A386 PolarHBondContact O-N 2.78Å; L383-E387 VanDerWaalsContact O-CG 3.28Å; L383-E387 WeakPolarHBondContact O-CG 3.4Å; L383-E387 PolarHBondContact O-N 3.1Å
384I56.3Low57.9Low4 Ų432.6 Ų32.62%0.02120%0.201CC..Hα-helixtrans-55.9-40.4-173.2-68167.8000114.1F286 A289 F380 E387 Y388F286-I384 HydrophobicContact CD2-CB 4.11Å; F286-I384 HydrophobicContact CD2-CD1 3.87Å; F286-I384 HydrophobicContact CD2-CG2 3.6Å; F286-I384 HydrophobicContact CE1-CD1 4.16Å; F286-I384 HydrophobicContact CE2-CB 3.91Å; F286-I384 HydrophobicContact CE2-CD1 3.33Å; F286-I384 HydrophobicContact CE2-CG1 4.19Å; F286-I384 HydrophobicContact CE2-CG2 3.95Å; F286-I384 HydrophobicContact CG-CD1 4.47Å; F286-I384 HydrophobicContact CG-CG2 4.47Å; F286-I384 HydrophobicContact CZ-CD1 3.47Å; F286-I384 VanDerWaalsContact CZ-CD1 3.47Å; A289-I384 HydrophobicContact CB-CD1 4.01Å; A289-I384 HydrophobicContact CB-CG1 3.91Å; A289-I384 HydrophobicContact CB-CG2 4.01Å; F380-I384 HydrophobicContact CB-CD1 4.35Å; F380-I384 VanDerWaalsContact O-CG1 3.31Å; F380-I384 WeakPolarHBondContact O-CG1 3.44Å; F380-I384 PolarHBondContact O-N 3.39Å; I384-E387 WeakPolarHBondContact O-CB 3.12Å; I384-E387 PolarHBondContact O-N 3.33Å; I384-Y388 HydrophobicContact CG2-CD2 3.58Å; I384-Y388 HydrophobicContact CG2-CE2 3.55Å; I384-Y388 WeakPolarHBondContact O-CD2 3.24Å; I384-Y388 PolarHBondContact O-N 2.83Å
385P52.7Low59.4Low22 Ų2232.9 Ų32.914%0.14320%0.201CC..Hα-helixtrans-72.9-30.8179.1-18.134000113.2K354 F358 F381 L383 E387 G389K354-P385 HydrophobicContact CD-CB 4.01Å; F358-P385 HydrophobicContact CD1-CG 4.43Å; F358-P385 HydrophobicContact CE1-CB 4.37Å; F358-P385 HydrophobicContact CE1-CG 3.33Å; F358-P385 HydrophobicContact CE2-CB 4.43Å; F358-P385 HydrophobicContact CE2-CG 3.82Å; F358-P385 HydrophobicContact CZ-CB 3.67Å; F358-P385 HydrophobicContact CZ-CG 2.98Å; F381-P385 WeakPolarHBondContact O-CD 3.47Å; F381-P385 WeakPolarHBondContact O-CG 3.07Å; L383-P385 VanDerWaalsContact C-CD 3.44Å; P385-E387 VanDerWaalsContact C-N 3.29Å; P385-G389 PolarHBondContact O-N 3.3Å; P385-G389 VanDerWaalsContact O-N 3.12Å
386A54.5Low61.3Low65 Ų6532.3 Ų32.354%0.53720%0.197SC..Hα-helixtrans-68.9-35.4171.900000110.4L383L383-A386 WeakPolarHBondContact O-CB 3.02Å; L383-A386 PolarHBondContact O-N 2.78Å
387E57.1Low63Low18 Ų1832.3 Ų32.38%0.08420%0.197CC..Hα-helixtrans-67.2-42.3176.8-72.1-179.4167.500112.8S235 W237 R293 L383 I384 P385 V391S235-E387 VanDerWaalsContact CA-OE1 3.29Å; S235-E387 WeakPolarHBondContact CA-OE1 3.19Å; S235-E387 PolarHBondContact N-OE1 3.39Å; S235-E387 WeakPolarHBondContact OG-CG 3.4Å; S235-E387 PolarHBondContact OG-OE1 3.24Å; W237-E387 HydrophobicContact CZ2-CB 3.8Å; W237-E387 PolarHBondContact NE1-OE2 3.37Å; R293-E387 IonicContact NH2-OE1 3.58Å; R293-E387 PolarHBondContact NH2-OE1 3.44Å; L383-E387 VanDerWaalsContact O-CG 3.28Å; L383-E387 WeakPolarHBondContact O-CG 3.4Å; L383-E387 PolarHBondContact O-N 3.1Å; I384-E387 WeakPolarHBondContact O-CB 3.12Å; I384-E387 PolarHBondContact O-N 3.33Å; P385-E387 VanDerWaalsContact C-N 3.29Å; E387-V391 WeakPolarHBondContact O-CG2 3.34Å
388Y57.5Low64.5Low36 Ų3632.6 Ų32.614%0.14120%0.198CC..Hα-helixtrans-83.8-18.2179.7-73.6-65.5000115W237 L285 A289 I384 F390 V391W237-Y388 HydrophobicContact CD2-CE1 4.49Å; W237-Y388 HydrophobicContact CE3-CE1 4.32Å; W237-Y388 HydrophobicContact CH2-CD1 4.41Å; W237-Y388 HydrophobicContact CH2-CE1 4.23Å; W237-Y388 HydrophobicContact CZ2-CE1 4.39Å; W237-Y388 HydrophobicContact CZ3-CE1 4.17Å; L285-Y388 HydrophobicContact CB-CE1 4.29Å; L285-Y388 HydrophobicContact CB-CE2 4.17Å; L285-Y388 HydrophobicContact CD2-CE1 4.34Å; L285-Y388 PolarHBondContact O-OH 3.26Å; L285-Y388 VanDerWaalsContact O-OH 3.06Å; A289-Y388 HydrophobicContact CB-CE2 3.75Å; A289-Y388 WeakPolarHBondContact CB-OH 3.21Å; I384-Y388 HydrophobicContact CG2-CD2 3.58Å; I384-Y388 HydrophobicContact CG2-CE2 3.55Å; I384-Y388 WeakPolarHBondContact O-CD2 3.24Å; I384-Y388 PolarHBondContact O-N 2.83Å; Y388-F390 PolarHBondContact O-N 2.76Å; Y388-V391 HydrophobicContact CD1-CG2 3.95Å; Y388-V391 PolarHBondContact O-N 3.33Å
389G50.9Low66Low33 Ų3330.3 Ų30.334%0.3418%0.184SC..THydrogen-bonded Turntrans-58.4-14.8-178.900000114.9P385P385-G389 PolarHBondContact O-N 3.3Å; P385-G389 VanDerWaalsContact O-N 3.12Å
390F50.8Low67.5Low136 Ų13628.4 Ų28.460%0.59617%0.171SC*.THydrogen-bonded Turntrans-113.50.1-175.5-69.5-83.6000115R343 Y388R343-F390 PolarHBondContact NH2-O 3Å; Y388-F390 PolarHBondContact O-N 2.76Å
391V63.2Low68.9Low20 Ų2028.6 Ų28.612%0.12117%0.172CC..  trans-81.8124.2-166.8-176.30000111.1W237 F246 E387 Y388 Q395 L396W237-V391 HydrophobicContact CH2-CG2 3.58Å; W237-V391 HydrophobicContact CZ2-CG2 4.42Å; W237-V391 HydrophobicContact CZ3-CG2 4.3Å; F246-V391 HydrophobicContact CE1-CG2 4.03Å; F246-V391 HydrophobicContact CZ-CB 4.48Å; F246-V391 HydrophobicContact CZ-CG1 4.17Å; F246-V391 HydrophobicContact CZ-CG2 3.81Å; E387-V391 WeakPolarHBondContact O-CG2 3.34Å; Y388-V391 HydrophobicContact CD1-CG2 3.95Å; Y388-V391 PolarHBondContact O-N 3.33Å; V391-Q395 HydrophobicContact CG1-CB 3.35Å; V391-L396 HydrophobicContact CG1-CB 4.34Å
392G70.5Confident70.4Confident25 Ų2529 Ų2926%0.25818%0.177SC..  trans-74.2169174.200000112V394 Q395 L396G392-V394 PolarHBondContact O-N 2.64Å; G392-Q395 VanDerWaalsContact N-OE1 3.11Å; G392-Q395 PolarHBondContact O-N 3.49Å; G392-Q395 PolarHBondContact O-OE1 3.34Å; G392-L396 PolarHBondContact O-N 3.02Å
393K79.7Confident71.8Confident27 Ų2725.1 Ų25.112%0.11715%0.15CC..Hα-helixtrans-54.5-41.8177.8-67.8-178-167.4169.80111.6D89 M92 L342 L396 I397 L432 R433D89-K393 IonicContact OD1-NZ 2.67Å; D89-K393 PolarHBondContact OD1-NZ 3.4Å; D89-K393 IonicContact OD2-NZ 3.19Å; M92-K393 HydrophobicContact CE-CB 3.74Å; M92-K393 HydrophobicContact CE-CD 4.48Å; M92-K393 HydrophobicContact SD-CB 4.45Å; L342-K393 HydrophobicContact CD1-CD 4.16Å; L342-K393 HydrophobicContact CD1-CG 4.03Å; K393-L396 PolarHBondContact O-N 2.85Å; K393-I397 VanDerWaalsContact O-CG1 3.31Å; K393-I397 WeakPolarHBondContact O-CG1 3.25Å; K393-I397 PolarHBondContact O-N 3.14Å; K393-L432 VanDerWaalsContact CE-O 3.23Å; K393-L432 WeakPolarHBondContact CE-O 3.37Å; K393-L432 PolarHBondContact NZ-O 2.8Å; K393-R433 PolarHBondContact NZ-OXT 3.38Å
394V81.1Confident73.3Confident20 Ų2024.3 Ų24.312%0.12114%0.144CC..Hα-helixtrans-57.5-52.3179174.60000110.9D91 M92 Y251 G392 L396 I397 K398D91-V394 HydrophobicContact CB-CG2 3.89Å; M92-V394 HydrophobicContact CE-CG2 3.84Å; Y251-V394 HydrophobicContact CE1-CG1 4.06Å; Y251-V394 HydrophobicContact CE2-CG1 4.27Å; G392-V394 PolarHBondContact O-N 2.64Å; V394-L396 VanDerWaalsContact C-N 3.3Å; V394-L396 PolarHBondContact O-N 2.91Å; V394-I397 PolarHBondContact O-N 3.42Å; V394-K398 WeakPolarHBondContact O-CG 3.41Å; V394-K398 PolarHBondContact O-N 3.46Å
395Q80.3Confident74.8Confident12 Ų1227 Ų276%0.05616%0.157CC..Hα-helixtrans-66.1-35-178.8-65.878.913.800111.8F246 L247 V391 G392 K398 C399F246-Q395 HydrophobicContact CD1-CG 4.43Å; F246-Q395 HydrophobicContact CD2-CG 4.29Å; F246-Q395 HydrophobicContact CE1-CB 4.4Å; F246-Q395 HydrophobicContact CE1-CG 3.97Å; F246-Q395 HydrophobicContact CE2-CB 4.06Å; F246-Q395 HydrophobicContact CE2-CG 3.8Å; F246-Q395 HydrophobicContact CZ-CB 3.72Å; F246-Q395 HydrophobicContact CZ-CG 3.61Å; F246-Q395 VanDerWaalsContact O-CG 3.32Å; F246-Q395 WeakPolarHBondContact O-CG 2.84Å; F246-Q395 PolarHBondContact O-NE2 3.03Å; L247-Q395 PolarHBondContact O-NE2 3.37Å; V391-Q395 HydrophobicContact CG1-CB 3.35Å; G392-Q395 VanDerWaalsContact N-OE1 3.11Å; G392-Q395 PolarHBondContact O-N 3.49Å; G392-Q395 PolarHBondContact O-OE1 3.34Å; Q395-K398 PolarHBondContact O-N 2.96Å; Q395-C399 PolarHBondContact O-N 3.09Å; Q395-C399 PolarHBondContact O-SG 3.18Å
396L84.5Confident76.2Confident17 Ų1726.5 Ų26.59%0.08915%0.153CC..Hα-helixtrans-65-41.6174-170.2144000111.6L281 L285 V391 G392 K393 V394 C399 L400 V429L281-L396 HydrophobicContact CD1-CD2 4.46Å; L281-L396 HydrophobicContact CD2-CD1 4.21Å; L281-L396 HydrophobicContact CD2-CD2 4.16Å; L285-L396 HydrophobicContact CD1-CD1 3.83Å; L285-L396 HydrophobicContact CD1-CG 4.24Å; V391-L396 HydrophobicContact CG1-CB 4.34Å; G392-L396 PolarHBondContact O-N 3.02Å; K393-L396 PolarHBondContact O-N 2.85Å; V394-L396 VanDerWaalsContact C-N 3.3Å; V394-L396 PolarHBondContact O-N 2.91Å; L396-C399 WeakPolarHBondContact O-CB 3.48Å; L396-C399 PolarHBondContact O-N 2.77Å; L396-L400 HydrophobicContact CD2-CD1 3.68Å; L396-L400 HydrophobicContact CD2-CG 4.3Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 3.11Å; L396-V429 HydrophobicContact CD2-CB 4.1Å; L396-V429 HydrophobicContact CD2-CG1 3.57Å; L396-V429 HydrophobicContact CD2-CG2 3.51Å
397I87.8Confident77.5Confident0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-63.8-42.3174.2-70.8162.7000110.4M92 Y251 L259 K393 V394 C399 L400 L401 V429 Q430M92-I397 HydrophobicContact CE-CD1 3.81Å; M92-I397 HydrophobicContact SD-CD1 3.34Å; M92-I397 WeakPolarHBondContact SD-CD1 3.09Å; Y251-I397 HydrophobicContact CE1-CB 4.45Å; Y251-I397 HydrophobicContact CE1-CG2 3.96Å; Y251-I397 WeakPolarHBondContact OH-CD1 3.13Å; Y251-I397 WeakPolarHBondContact OH-CG2 3.38Å; L259-I397 HydrophobicContact CD2-CG2 3.78Å; K393-I397 VanDerWaalsContact O-CG1 3.31Å; K393-I397 WeakPolarHBondContact O-CG1 3.25Å; K393-I397 PolarHBondContact O-N 3.14Å; V394-I397 PolarHBondContact O-N 3.42Å; I397-C399 VanDerWaalsContact C-N 3.33Å; I397-C399 PolarHBondContact O-N 3.09Å; I397-L400 CarbonylContact O-C 3.53Å; I397-L400 PolarHBondContact O-N 2.96Å; I397-L400 VanDerWaalsContact O-N 3.1Å; I397-L401 HydrophobicContact CG2-CD1 4Å; I397-L401 HydrophobicContact CG2-CG 4.15Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.01Å; I397-V429 HydrophobicContact CD1-CG1 4.14Å; I397-V429 HydrophobicContact CG1-CB 4.38Å; I397-V429 HydrophobicContact CG1-CG1 3.76Å; I397-Q430 HydrophobicContact CD1-CG 3.42Å; I397-Q430 VanDerWaalsContact CD1-CG 3.42Å; I397-Q430 HydrophobicContact CG1-CG 4.3Å
398K87Confident78.8Confident6 Ų625 Ų253%0.02614%0.143CC..Hα-helixtrans-61.7-39.4175.1-65.8-173.2167.6-168.20112.7I241 A249 P250 Y251 E255 V394 Q395 L400 L401 S402I241-K398 HydrophobicContact CG2-CB 3.3Å; I241-K398 HydrophobicContact CG2-CD 3.66Å; I241-K398 HydrophobicContact CG2-CG 4.13Å; A249-K398 PolarHBondContact O-NZ 3.44Å; P250-K398 PolarHBondContact O-NZ 3.37Å; Y251-K398 HydrophobicContact CD1-CD 4.42Å; Y251-K398 HydrophobicContact CD1-CG 3.82Å; Y251-K398 HydrophobicContact CE1-CG 3.61Å; E255-K398 WeakPolarHBondContact OE1-CG 3.21Å; E255-K398 VanDerWaalsContact OE2-CE 3.28Å; E255-K398 WeakPolarHBondContact OE2-CE 3.25Å; E255-K398 IonicContact OE2-NZ 2.66Å; V394-K398 WeakPolarHBondContact O-CG 3.41Å; V394-K398 PolarHBondContact O-N 3.46Å; Q395-K398 PolarHBondContact O-N 2.96Å; K398-L400 VanDerWaalsContact C-N 3.32Å; K398-L400 PolarHBondContact O-N 3.23Å; K398-L401 PolarHBondContact O-N 2.95Å; K398-S402 WeakPolarHBondContact O-CB 3.22Å; K398-S402 PolarHBondContact O-N 3.28Å
399C86.2Confident79.9Confident0 Ų028.5 Ų28.50%017%0.165CC..Hα-helixtrans-56.2-49.2170.4-62.80000110.8I241 L285 F288 Q395 L396 I397 L401 S402 I403I241-C399 VanDerWaalsContact CD1-CA 3.47Å; I241-C399 HydrophobicContact CD1-CB 3.85Å; I241-C399 WeakPolarHBondContact CD1-SG 3.39Å; L285-C399 HydrophobicContact CD2-CB 3.72Å; F288-C399 HydrophobicContact CD1-CB 4.49Å; F288-C399 HydrophobicContact CE1-CB 4.41Å; Q395-C399 PolarHBondContact O-N 3.09Å; Q395-C399 PolarHBondContact O-SG 3.18Å; L396-C399 WeakPolarHBondContact O-CB 3.48Å; L396-C399 PolarHBondContact O-N 2.77Å; I397-C399 VanDerWaalsContact C-N 3.33Å; I397-C399 PolarHBondContact O-N 3.09Å; C399-L401 PolarHBondContact O-N 3.04Å; C399-S402 WeakPolarHBondContact O-CB 3.48Å; C399-S402 PolarHBondContact O-N 3.01Å; C399-I403 WeakPolarHBondContact O-CD1 3.34Å; C399-I403 VanDerWaalsContact O-CG1 3.27Å; C399-I403 WeakPolarHBondContact O-CG1 3.12Å; C399-I403 PolarHBondContact O-N 2.91Å
400L89.1Confident80.8Confident0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-65-37.2-179.8-67171.6000112.6L281 L396 I397 K398 I403 H404 I422 C426 V429L281-L400 HydrophobicContact CD1-CD1 4.37Å; L281-L400 HydrophobicContact CD1-CD2 3.88Å; L396-L400 HydrophobicContact CD2-CD1 3.68Å; L396-L400 HydrophobicContact CD2-CG 4.3Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 3.11Å; I397-L400 CarbonylContact O-C 3.53Å; I397-L400 PolarHBondContact O-N 2.96Å; I397-L400 VanDerWaalsContact O-N 3.1Å; K398-L400 VanDerWaalsContact C-N 3.32Å; K398-L400 PolarHBondContact O-N 3.23Å; L400-I403 HydrophobicContact CD2-CD1 4.44Å; L400-I403 PolarHBondContact O-N 3.15Å; L400-H404 VanDerWaalsContact O-CB 3.23Å; L400-H404 WeakPolarHBondContact O-CB 3.45Å; L400-H404 PolarHBondContact O-N 2.94Å; L400-I422 HydrophobicContact CB-CG2 4.36Å; L400-I422 HydrophobicContact CD2-CG2 4.42Å; L400-I422 WeakPolarHBondContact O-CG2 3.25Å; L400-C426 VanDerWaalsContact CB-SG 3.5Å; L400-V429 HydrophobicContact CD1-CG2 4.12Å
401L89.5Confident81.5Confident4 Ų423.8 Ų23.82%0.02115%0.151CC..Hα-helixtrans-66.6-37.9174.7-70.5176000111.9Y251 E255 R258 L259 I397 K398 C399 H404 Q405Y251-L401 HydrophobicContact CD1-CD1 4.5Å; Y251-L401 HydrophobicContact CE1-CD1 4.41Å; E255-L401 HydrophobicContact CB-CD1 3.9Å; E255-L401 HydrophobicContact CG-CD1 4.03Å; R258-L401 HydrophobicContact CB-CD2 3.92Å; L259-L401 HydrophobicContact CD1-CD1 4.22Å; L259-L401 HydrophobicContact CD2-CD1 4.06Å; L259-L401 HydrophobicContact CD2-CD2 4.17Å; L259-L401 HydrophobicContact CD2-CG 4.49Å; L259-L401 HydrophobicContact CG-CD1 3.87Å; L259-L401 HydrophobicContact CG-CD2 4.39Å; I397-L401 HydrophobicContact CG2-CD1 4Å; I397-L401 HydrophobicContact CG2-CG 4.15Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.01Å; K398-L401 PolarHBondContact O-N 2.95Å; C399-L401 PolarHBondContact O-N 3.04Å; L401-H404 PolarHBondContact O-N 3.25Å; L401-Q405 PolarHBondContact O-N 3.37Å
402S86.2Confident81.7Confident24 Ų2428.3 Ų28.317%0.16818%0.175CC..Hα-helixtrans-63.9-49.8173.5-177.90000110.8K398 C399 H404 Q405 I406K398-S402 WeakPolarHBondContact O-CB 3.22Å; K398-S402 PolarHBondContact O-N 3.28Å; C399-S402 WeakPolarHBondContact O-CB 3.48Å; C399-S402 PolarHBondContact O-N 3.01Å; S402-H404 VanDerWaalsContact C-N 3.28Å; S402-H404 PolarHBondContact O-N 2.97Å; S402-Q405 PolarHBondContact O-N 3.42Å; S402-Q405 VanDerWaalsContact O-N 3.11Å; S402-I406 WeakPolarHBondContact O-CD1 3.42Å; S402-I406 VanDerWaalsContact O-CG1 3.28Å; S402-I406 WeakPolarHBondContact O-CG1 3.41Å; S402-I406 PolarHBondContact O-N 3.5Å
403I85.8Confident81.8Confident0 Ų029 Ų290%017%0.171CC..Hα-helixtrans-56.6-44.5173.8-64.3159000110.7I284 F288 L303 I307 C399 L400 Q405 I406 F407 I422I284-I403 HydrophobicContact CG2-CD1 3.68Å; F288-I403 HydrophobicContact CB-CD1 3.81Å; F288-I403 HydrophobicContact CB-CG1 3.99Å; F288-I403 HydrophobicContact CD2-CD1 4.08Å; F288-I403 HydrophobicContact CD2-CG1 3.38Å; F288-I403 HydrophobicContact CE2-CG1 4.01Å; F288-I403 HydrophobicContact CG-CD1 3.94Å; F288-I403 HydrophobicContact CG-CG1 3.78Å; L303-I403 HydrophobicContact CD2-CB 4.48Å; L303-I403 HydrophobicContact CD2-CG1 4.22Å; L303-I403 HydrophobicContact CD2-CG2 4.28Å; I307-I403 HydrophobicContact CD1-CG2 3.97Å; C399-I403 WeakPolarHBondContact O-CD1 3.34Å; C399-I403 VanDerWaalsContact O-CG1 3.27Å; C399-I403 WeakPolarHBondContact O-CG1 3.12Å; C399-I403 PolarHBondContact O-N 2.91Å; L400-I403 HydrophobicContact CD2-CD1 4.44Å; L400-I403 PolarHBondContact O-N 3.15Å; I403-Q405 VanDerWaalsContact C-N 3.28Å; I403-Q405 PolarHBondContact O-N 3.29Å; I403-I406 PolarHBondContact O-N 3.05Å; I403-F407 HydrophobicContact CG2-CD2 4Å; I403-F407 HydrophobicContact CG2-CE1 4.39Å; I403-F407 HydrophobicContact CG2-CE2 3.63Å; I403-F407 HydrophobicContact CG2-CZ 3.85Å; I403-F407 PolarHBondContact O-N 3.14Å; I403-I422 HydrophobicContact CG2-CD1 3.85Å; I403-I422 HydrophobicContact CG2-CG1 4.06Å
404H89.2Confident81.5Confident41 Ų4127.7 Ų27.719%0.1917%0.165CC..Hα-helixtrans-59.9-41179.1-174.2-62.3000111.7L400 L401 S402 A408 N418 I422 T423L400-H404 VanDerWaalsContact O-CB 3.23Å; L400-H404 WeakPolarHBondContact O-CB 3.45Å; L400-H404 PolarHBondContact O-N 2.94Å; L401-H404 PolarHBondContact O-N 3.25Å; S402-H404 VanDerWaalsContact C-N 3.28Å; S402-H404 PolarHBondContact O-N 2.97Å; H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 3.45Å; H404-N418 VanDerWaalsContact CA-OD1 3.32Å; H404-N418 WeakPolarHBondContact CA-OD1 3.49Å; H404-N418 PolarHBondContact ND1-ND2 2.76Å; H404-N418 PolarHBondContact O-ND2 3.25Å; H404-I422 HydrophobicContact CB-CG2 3.84Å; H404-T423 PolarHBondContact NE2-OG1 3.44Å
405Q86.6Confident81.4Confident60 Ų6031.4 Ų31.428%0.2818%0.178SC..Hα-helixtrans-67.7-41.1177179.658.8-5.800112R258 L401 S402 I403 F407 A408 N409R258-Q405 VanDerWaalsContact CZ-CD 3.5Å; R258-Q405 VanDerWaalsContact CZ-OE1 3.25Å; R258-Q405 VanDerWaalsContact NH1-CD 3.25Å; L401-Q405 PolarHBondContact O-N 3.37Å; S402-Q405 PolarHBondContact O-N 3.42Å; S402-Q405 VanDerWaalsContact O-N 3.11Å; I403-Q405 VanDerWaalsContact C-N 3.28Å; I403-Q405 PolarHBondContact O-N 3.29Å; Q405-F407 VanDerWaalsContact C-N 3.33Å; Q405-F407 PolarHBondContact O-N 3.37Å; Q405-A408 PolarHBondContact O-N 3.46Å; Q405-N409 PolarHBondContact NE2-ND2 2.82Å; Q405-N409 PolarHBondContact O-N 3.02Å; Q405-N409 VanDerWaalsContact O-N 3.1Å
406I82.7Confident81Confident12 Ų1231.1 Ų31.16%0.06218%0.177CC..Hα-helixtrans-60.5-46.6177.8-63.7158.3000109.6R240 F288 L303 S402 I403 A408 N409 T410R240-I406 VanDerWaalsContact CZ-CD1 3.47Å; F288-I406 HydrophobicContact CD2-CD1 4.46Å; F288-I406 HydrophobicContact CE2-CD1 4.01Å; L303-I406 HydrophobicContact CB-CG2 4.16Å; L303-I406 HydrophobicContact CD2-CB 3.93Å; L303-I406 HydrophobicContact CD2-CD1 3.43Å; L303-I406 VanDerWaalsContact CD2-CD1 3.43Å; L303-I406 HydrophobicContact CD2-CG1 4.28Å; L303-I406 HydrophobicContact CD2-CG2 3.73Å; L303-I406 HydrophobicContact CG-CG2 4.49Å; S402-I406 WeakPolarHBondContact O-CD1 3.42Å; S402-I406 VanDerWaalsContact O-CG1 3.28Å; S402-I406 WeakPolarHBondContact O-CG1 3.41Å; S402-I406 PolarHBondContact O-N 3.5Å; I403-I406 PolarHBondContact O-N 3.05Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.58Å; I406-N409 PolarHBondContact O-N 3.36Å; I406-N409 VanDerWaalsContact O-N 3.16Å; I406-T410 VanDerWaalsContact O-CB 3.24Å; I406-T410 WeakPolarHBondContact O-CB 3.17Å; I406-T410 PolarHBondContact O-N 3.33Å; I406-T410 PolarHBondContact O-OG1 3.28Å
407F82.6Confident80.8Confident0 Ų030.5 Ų30.50%017%0.173CC..Hα-helixtrans-67.8-26.4177.4-70-8.7000115L303 V304 I307 I403 Q405 N409 V414 Y415 F417 N418 I422L303-F407 HydrophobicContact CD2-CE1 4.22Å; L303-F407 HydrophobicContact CG-CE1 4.29Å; V304-F407 HydrophobicContact CG2-CD1 3.96Å; V304-F407 HydrophobicContact CG2-CE1 4.06Å; I307-F407 HydrophobicContact CB-CE1 4.2Å; I307-F407 HydrophobicContact CB-CZ 3.59Å; I307-F407 HydrophobicContact CD1-CE1 4.02Å; I307-F407 HydrophobicContact CD1-CE2 4.26Å; I307-F407 HydrophobicContact CD1-CZ 3.39Å; I307-F407 HydrophobicContact CG1-CZ 4.01Å; I307-F407 HydrophobicContact CG2-CE1 4.43Å; I307-F407 HydrophobicContact CG2-CE2 4.02Å; I307-F407 HydrophobicContact CG2-CZ 3.41Å; I307-F407 VanDerWaalsContact CG2-CZ 3.41Å; I403-F407 HydrophobicContact CG2-CD2 4Å; I403-F407 HydrophobicContact CG2-CE1 4.39Å; I403-F407 HydrophobicContact CG2-CE2 3.63Å; I403-F407 HydrophobicContact CG2-CZ 3.85Å; I403-F407 PolarHBondContact O-N 3.14Å; Q405-F407 VanDerWaalsContact C-N 3.33Å; Q405-F407 PolarHBondContact O-N 3.37Å; F407-N409 VanDerWaalsContact C-N 3.34Å; F407-V414 HydrophobicContact CB-CG1 3.89Å; F407-V414 HydrophobicContact CD1-CG1 3.48Å; F407-V414 VanDerWaalsContact CD1-CG1 3.48Å; F407-V414 HydrophobicContact CE1-CG1 4.17Å; F407-V414 HydrophobicContact CG-CG1 3.8Å; F407-V414 CarbonylContact O-C 3.57Å; F407-Y415 WeakPolarHBondContact O-CA 3.49Å; F407-Y415 PolarHBondContact O-N 3.15Å; F407-Y415 VanDerWaalsContact O-N 3.09Å; F407-F417 HydrophobicContact CD2-CB 3.61Å; F407-F417 HydrophobicContact CE2-CB 3.62Å; F407-F417 HydrophobicContact CE2-CG 4.38Å; F407-F417 HydrophobicContact CG-CB 4.45Å; F407-F417 HydrophobicContact CZ-CB 4.45Å; F407-N418 WeakPolarHBondContact CB-OD1 3.39Å; F407-N418 WeakPolarHBondContact CD2-OD1 3.45Å; F407-I422 HydrophobicContact CD2-CG1 3.87Å; F407-I422 HydrophobicContact CE2-CD1 4.13Å; F407-I422 HydrophobicContact CE2-CG1 3.82Å
408A83.9Confident80.7Confident51 Ų5130.7 Ų30.742%0.42117%0.174SC..Hα-helixtrans-73.7-29.3174.400000112.2H404 Q405 I406H404-A408 WeakPolarHBondContact O-CB 3.49Å; H404-A408 PolarHBondContact O-N 3.45Å; Q405-A408 PolarHBondContact O-N 3.46Å; I406-A408 VanDerWaalsContact C-N 3.3Å; I406-A408 PolarHBondContact O-N 2.58Å
409N80.6Confident80.4Confident110 Ų11034.4 Ų34.459%0.58819%0.194SC*.Hα-helixtrans-103-21.4-173-65.6-10.7000114.1Q405 I406 F407Q405-N409 PolarHBondContact NE2-ND2 2.82Å; Q405-N409 PolarHBondContact O-N 3.02Å; Q405-N409 VanDerWaalsContact O-N 3.1Å; I406-N409 PolarHBondContact O-N 3.36Å; I406-N409 VanDerWaalsContact O-N 3.16Å; F407-N409 VanDerWaalsContact C-N 3.34Å
410T69Low80Confident17 Ų1734.5 Ų34.510%0.10420%0.195CC..SBendtrans-95.6115.1-173.8-60.70000111.4N301 V304 I406 V414N301-T410 HydrophobicContact CB-CG2 3.86Å; N301-T410 WeakPolarHBondContact OD1-CG2 2.89Å; N301-T410 PolarHBondContact OD1-OG1 3.47Å; V304-T410 HydrophobicContact CB-CG2 4.08Å; V304-T410 HydrophobicContact CG2-CG2 3.35Å; I406-T410 VanDerWaalsContact O-CB 3.24Å; I406-T410 WeakPolarHBondContact O-CB 3.17Å; I406-T410 PolarHBondContact O-N 3.33Å; I406-T410 PolarHBondContact O-OG1 3.28Å; T410-V414 WeakPolarHBondContact O-CB 3.34Å; T410-V414 WeakPolarHBondContact O-CG2 3.31Å
411G66.4Low79.8Confident54 Ų5435 Ų3556%0.55720%0.197SC*.SBendtrans65.6170.8163.600000116.1
412D67.6Low79.7Confident115 Ų11534.8 Ų34.862%0.61520%0.196SC*.SBendtrans-72.2139.5177.1-62.6-31.7000110.2V414D412-V414 PolarHBondContact O-N 3.48Å
413F71.6Confident79.8Confident39 Ų3934.3 Ų34.317%0.17119%0.192CC..SBendtrans65.9-10.9174.1-46.7-73.4000118.4F167 E169 A170 L174 Y415 L416F167-F413 HydrophobicContact CD1-CD1 4.4Å; F167-F413 HydrophobicContact CD1-CE1 4.35Å; E169-F413 HydrophobicContact CB-CE2 4.3Å; E169-F413 HydrophobicContact CB-CZ 4.28Å; A170-F413 HydrophobicContact CB-CB 3.45Å; A170-F413 VanDerWaalsContact CB-CB 3.45Å; A170-F413 HydrophobicContact CB-CD1 3.77Å; A170-F413 HydrophobicContact CB-CD2 3.92Å; A170-F413 HydrophobicContact CB-CE1 4.48Å; A170-F413 HydrophobicContact CB-CG 3.44Å; A170-F413 VanDerWaalsContact CB-CG 3.44Å; L174-F413 HydrophobicContact CD1-CB 3.79Å; L174-F413 WeakPolarHBondContact CD1-O 2.96Å; L174-F413 HydrophobicContact CG-CB 4.33Å; F413-Y415 PolarHBondContact O-N 3.32Å; F413-Y415 VanDerWaalsContact O-N 3.11Å; F413-L416 HydrophobicContact CB-CD1 4.1Å; F413-L416 WeakPolarHBondContact O-CB 3.22Å; F413-L416 WeakPolarHBondContact O-CG 3.27Å; F413-L416 PolarHBondContact O-N 3.27Å
414V73.3Confident79.8Confident0 Ų034.6 Ų34.60%019%0.193CC..THydrogen-bonded Turntrans-58.5-30-177.6-178.30000112.4L174 V304 F407 T410 D412 L416 F417L174-V414 HydrophobicContact CD2-CB 4.45Å; L174-V414 HydrophobicContact CD2-CG2 3.74Å; V304-V414 HydrophobicContact CB-CG1 4.3Å; V304-V414 HydrophobicContact CG1-CB 4.32Å; V304-V414 HydrophobicContact CG1-CG1 3.8Å; V304-V414 HydrophobicContact CG1-CG2 3.47Å; V304-V414 VanDerWaalsContact CG1-CG2 3.47Å; V304-V414 HydrophobicContact CG2-CG1 3.59Å; V304-V414 HydrophobicContact CG2-CG2 4.31Å; F407-V414 HydrophobicContact CB-CG1 3.89Å; F407-V414 HydrophobicContact CD1-CG1 3.48Å; F407-V414 VanDerWaalsContact CD1-CG1 3.48Å; F407-V414 HydrophobicContact CE1-CG1 4.17Å; F407-V414 HydrophobicContact CG-CG1 3.8Å; F407-V414 CarbonylContact O-C 3.57Å; T410-V414 WeakPolarHBondContact O-CB 3.34Å; T410-V414 WeakPolarHBondContact O-CG2 3.31Å; D412-V414 PolarHBondContact O-N 3.48Å; V414-L416 PolarHBondContact O-N 2.92Å; V414-F417 HydrophobicContact CG1-CD2 4.17Å; V414-F417 WeakPolarHBondContact O-CB 3.41Å; V414-F417 PolarHBondContact O-N 3.37Å
415Y79.5Confident79.8Confident97 Ų9732.6 Ų32.638%0.3818%0.184SC..THydrogen-bonded Turntrans-54.1-23173.969.7-95.1000112.9F407 F413 F417 N418 D419F407-Y415 WeakPolarHBondContact O-CA 3.49Å; F407-Y415 PolarHBondContact O-N 3.15Å; F407-Y415 VanDerWaalsContact O-N 3.09Å; F413-Y415 PolarHBondContact O-N 3.32Å; F413-Y415 VanDerWaalsContact O-N 3.11Å; Y415-F417 PolarHBondContact O-N 3Å; Y415-N418 VanDerWaalsContact O-CB 3.26Å; Y415-N418 WeakPolarHBondContact O-CB 3.29Å; Y415-N418 PolarHBondContact O-N 2.88Å; Y415-D419 PolarHBondContact O-N 3.43Å
416L72.8Confident80Confident7 Ų729.8 Ų29.84%0.03717%0.171CC..Hα-helixtrans-58.1-31.2173.4-67.9174.2000112.1V163 F164 F167 A170 L174 F413 V414 N418 D419 L420V163-L416 HydrophobicContact CG1-CD2 4.49Å; F164-L416 HydrophobicContact CE1-CD1 4.38Å; F167-L416 HydrophobicContact CB-CD1 4.26Å; F167-L416 HydrophobicContact CD2-CD1 4.35Å; F167-L416 HydrophobicContact CD2-CD2 4.31Å; F167-L416 HydrophobicContact CE2-CD2 4.25Å; F167-L416 HydrophobicContact CG-CD1 4.24Å; A170-L416 HydrophobicContact CB-CD1 3.75Å; L174-L416 HydrophobicContact CD1-CD1 4.24Å; F413-L416 HydrophobicContact CB-CD1 4.1Å; F413-L416 WeakPolarHBondContact O-CB 3.22Å; F413-L416 WeakPolarHBondContact O-CG 3.27Å; F413-L416 PolarHBondContact O-N 3.27Å; V414-L416 PolarHBondContact O-N 2.92Å; L416-N418 VanDerWaalsContact C-N 3.25Å; L416-N418 PolarHBondContact O-N 3.05Å; L416-D419 PolarHBondContact O-N 3.18Å; L416-L420 WeakPolarHBondContact O-CB 3.37Å; L416-L420 VanDerWaalsContact O-CG 3.24Å; L416-L420 WeakPolarHBondContact O-CG 3.49Å; L416-L420 PolarHBondContact O-N 2.85Å
417F80.4Confident80.2Confident3 Ų329.5 Ų29.51%0.01317%0.17CC..Hα-helixtrans-66.5-27.2174.7-69.8-57000112.9L174 R308 F311 F407 V414 Y415 Y421 I422L174-F417 HydrophobicContact CB-CE2 4.16Å; L174-F417 HydrophobicContact CB-CZ 4.06Å; L174-F417 HydrophobicContact CD1-CE2 4.31Å; L174-F417 HydrophobicContact CD2-CE2 4.16Å; L174-F417 HydrophobicContact CG-CE2 4.46Å; R308-F417 HydrophobicContact CG-CE2 3.78Å; R308-F417 HydrophobicContact CG-CZ 4.15Å; F311-F417 HydrophobicContact CB-CE1 4.19Å; F311-F417 AromaticContact CD2-CD1 3.9Å; F311-F417 HydrophobicContact CD2-CD1 3.9Å; F311-F417 HydrophobicContact CD2-CE1 4.17Å; F311-F417 HydrophobicContact CE2-CD1 4.43Å; F311-F417 HydrophobicContact CG-CD1 4.48Å; F407-F417 HydrophobicContact CD2-CB 3.61Å; F407-F417 HydrophobicContact CE2-CB 3.62Å; F407-F417 HydrophobicContact CE2-CG 4.38Å; F407-F417 HydrophobicContact CG-CB 4.45Å; F407-F417 HydrophobicContact CZ-CB 4.45Å; V414-F417 HydrophobicContact CG1-CD2 4.17Å; V414-F417 WeakPolarHBondContact O-CB 3.41Å; V414-F417 PolarHBondContact O-N 3.37Å; Y415-F417 PolarHBondContact O-N 3Å; F417-Y421 HydrophobicContact CD1-CD2 4.09Å; F417-Y421 HydrophobicContact CD1-CE2 4.15Å; F417-Y421 PolarHBondContact O-N 2.98Å; F417-I422 PolarHBondContact O-N 3.45Å
418N84.4Confident80.4Confident5 Ų530 Ų303%0.02717%0.171CC..Iπ-helixtrans-64.1-47.3171.5-69.9-24.8000110.6H404 F407 Y415 L416 I422 T423H404-N418 VanDerWaalsContact CA-OD1 3.32Å; H404-N418 WeakPolarHBondContact CA-OD1 3.49Å; H404-N418 PolarHBondContact ND1-ND2 2.76Å; H404-N418 PolarHBondContact O-ND2 3.25Å; F407-N418 WeakPolarHBondContact CB-OD1 3.39Å; F407-N418 WeakPolarHBondContact CD2-OD1 3.45Å; Y415-N418 VanDerWaalsContact O-CB 3.26Å; Y415-N418 WeakPolarHBondContact O-CB 3.29Å; Y415-N418 PolarHBondContact O-N 2.88Å; L416-N418 VanDerWaalsContact C-N 3.25Å; L416-N418 PolarHBondContact O-N 3.05Å; N418-I422 PolarHBondContact O-N 3.26Å; N418-T423 VanDerWaalsContact O-CB 3.23Å; N418-T423 WeakPolarHBondContact O-CB 3.44Å; N418-T423 PolarHBondContact O-N 3.28Å; N418-T423 PolarHBondContact O-OG1 2.9Å
419D80.6Confident80.5Confident83 Ų8327.7 Ų27.744%0.44415%0.152SC..Iπ-helixtrans-70.1-35.5-179.2-69.5-24.5000113.3R160 Y415 L416R160-D419 PolarHBondContact NH2-O 3.38Å; Y415-D419 PolarHBondContact O-N 3.43Å; L416-D419 PolarHBondContact O-N 3.18Å
420L78.7Confident80.6Confident2 Ų222.4 Ų22.41%0.0112%0.124CC..Iπ-helixtrans-76.3-36.7179.4-71176.8000112.6Y154 G155 F156 R160 V163 F164 L416Y154-L420 HydrophobicContact CD2-CD1 4.46Å; Y154-L420 HydrophobicContact CD2-CD2 4.01Å; Y154-L420 HydrophobicContact CE2-CD1 4.4Å; Y154-L420 HydrophobicContact CE2-CD2 3.84Å; G155-L420 CarbonylContact C-O 3.44Å; G155-L420 WeakPolarHBondContact CA-O 3.15Å; F156-L420 PolarHBondContact N-O 3.24Å; R160-L420 HydrophobicContact CB-CD2 3.82Å; R160-L420 HydrophobicContact CG-CD2 3.8Å; V163-L420 HydrophobicContact CB-CD2 4.22Å; V163-L420 HydrophobicContact CG1-CD2 4.25Å; V163-L420 HydrophobicContact CG2-CD2 3.77Å; F164-L420 HydrophobicContact CE2-CD1 3.79Å; F164-L420 HydrophobicContact CZ-CD1 3.68Å; L416-L420 WeakPolarHBondContact O-CB 3.37Å; L416-L420 VanDerWaalsContact O-CG 3.24Å; L416-L420 WeakPolarHBondContact O-CG 3.49Å; L416-L420 PolarHBondContact O-N 2.85Å
421Y84Confident81.1Confident10 Ų1023.6 Ų23.64%0.03914%0.136CC..Iπ-helixtrans-135-62.1-168.9-60.8-80.3000114G155 F156 F311 I315 F417 T423 D424 Y425G155-Y421 VanDerWaalsContact CA-CZ 3.43Å; G155-Y421 PolarHBondContact N-OH 3.09Å; G155-Y421 WeakPolarHBondContact O-CE1 3.5Å; F156-Y421 VanDerWaalsContact N-CD1 3.34Å; F311-Y421 HydrophobicContact CB-CE2 3.94Å; F311-Y421 AromaticContact CD1-CD1 3.56Å; F311-Y421 HydrophobicContact CD1-CD1 3.56Å; F311-Y421 AromaticContact CD1-CD2 3.53Å; F311-Y421 HydrophobicContact CD1-CD2 3.53Å; F311-Y421 AromaticContact CD1-CE1 3.38Å; F311-Y421 HydrophobicContact CD1-CE1 3.38Å; F311-Y421 AromaticContact CD1-CE2 3.38Å; F311-Y421 HydrophobicContact CD1-CE2 3.38Å; F311-Y421 AromaticContact CD1-CG 3.62Å; F311-Y421 HydrophobicContact CD1-CG 3.62Å; F311-Y421 AromaticContact CD1-CZ 3.3Å; F311-Y421 AromaticContact CD2-CD2 3.98Å; F311-Y421 HydrophobicContact CD2-CD2 3.98Å; F311-Y421 HydrophobicContact CD2-CE2 4.13Å; F311-Y421 AromaticContact CE1-CD1 3.13Å; F311-Y421 HydrophobicContact CE1-CD1 3.13Å; F311-Y421 AromaticContact CE1-CD2 3.45Å; F311-Y421 HydrophobicContact CE1-CD2 3.45Å; F311-Y421 VanDerWaalsContact CE1-CD2 3.45Å; F311-Y421 AromaticContact CE1-CE1 3.51Å; F311-Y421 HydrophobicContact CE1-CE1 3.51Å; F311-Y421 AromaticContact CE1-CE2 3.82Å; F311-Y421 HydrophobicContact CE1-CE2 3.82Å; F311-Y421 AromaticContact CE1-CG 3.09Å; F311-Y421 HydrophobicContact CE1-CG 3.09Å; F311-Y421 AromaticContact CE1-CZ 3.84Å; F311-Y421 AromaticContact CE2-CD2 3.88Å; F311-Y421 HydrophobicContact CE2-CD2 3.88Å; F311-Y421 HydrophobicContact CE2-CE2 4.47Å; F311-Y421 HydrophobicContact CE2-CG 4.1Å; F311-Y421 AromaticContact CG-CD2 3.81Å; F311-Y421 HydrophobicContact CG-CD2 3.81Å; F311-Y421 HydrophobicContact CG-CE1 4.37Å; F311-Y421 AromaticContact CG-CE2 3.57Å; F311-Y421 HydrophobicContact CG-CE2 3.57Å; F311-Y421 HydrophobicContact CG-CG 4.32Å; F311-Y421 AromaticContact CG-CZ 3.88Å; F311-Y421 AromaticContact CZ-CD1 3.89Å; F311-Y421 HydrophobicContact CZ-CD1 3.89Å; F311-Y421 AromaticContact CZ-CD2 3.6Å; F311-Y421 HydrophobicContact CZ-CD2 3.6Å; F311-Y421 HydrophobicContact CZ-CE2 4.32Å; F311-Y421 AromaticContact CZ-CG 3.35Å; F311-Y421 HydrophobicContact CZ-CG 3.35Å; I315-Y421 HydrophobicContact CD1-CE1 3.66Å; F417-Y421 HydrophobicContact CD1-CD2 4.09Å; F417-Y421 HydrophobicContact CD1-CE2 4.15Å; F417-Y421 PolarHBondContact O-N 2.98Å; Y421-T423 PolarHBondContact O-N 2.76Å; Y421-D424 PolarHBondContact O-N 2.94Å; Y421-Y425 HydrophobicContact CD1-CE2 4.43Å; Y421-Y425 WeakPolarHBondContact O-CD2 3.29Å; Y421-Y425 PolarHBondContact O-N 2.99Å
422I87.1Confident81.5Confident0 Ų022.2 Ų22.20%012%0.116CC..Iπ-helixtrans-66.2-42.7-160.9-51.1-57.6000112.2I284 F311 L400 I403 H404 F407 F417 N418 D424 Y425 C426I284-I422 HydrophobicContact CD1-CD1 4.26Å; I284-I422 HydrophobicContact CG2-CD1 4.12Å; F311-I422 HydrophobicContact CE2-CD1 4.48Å; F311-I422 HydrophobicContact CZ-CD1 4.22Å; L400-I422 HydrophobicContact CB-CG2 4.36Å; L400-I422 HydrophobicContact CD2-CG2 4.42Å; L400-I422 WeakPolarHBondContact O-CG2 3.25Å; I403-I422 HydrophobicContact CG2-CD1 3.85Å; I403-I422 HydrophobicContact CG2-CG1 4.06Å; H404-I422 HydrophobicContact CB-CG2 3.84Å; F407-I422 HydrophobicContact CD2-CG1 3.87Å; F407-I422 HydrophobicContact CE2-CD1 4.13Å; F407-I422 HydrophobicContact CE2-CG1 3.82Å; F417-I422 PolarHBondContact O-N 3.45Å; N418-I422 PolarHBondContact O-N 3.26Å; I422-D424 VanDerWaalsContact C-N 3.3Å; I422-D424 PolarHBondContact O-N 3.36Å; I422-Y425 WeakPolarHBondContact O-CB 3.47Å; I422-Y425 PolarHBondContact O-N 3.48Å; I422-C426 PolarHBondContact O-N 3.3Å; I422-C426 PolarHBondContact O-SG 2.67Å; I422-C426 VanDerWaalsContact O-SG 3.34Å
423T88Confident81.2Confident15 Ų1525.8 Ų25.89%0.09212%0.12CC..Hα-helixtrans-58.8-43.6178.2-62.50000111.4L262 P263 H404 N418 Y421 C426 V427L262-T423 HydrophobicContact CD2-CG2 4.06Å; P263-T423 HydrophobicContact CG-CG2 3.55Å; H404-T423 PolarHBondContact NE2-OG1 3.44Å; N418-T423 VanDerWaalsContact O-CB 3.23Å; N418-T423 WeakPolarHBondContact O-CB 3.44Å; N418-T423 PolarHBondContact O-N 3.28Å; N418-T423 PolarHBondContact O-OG1 2.9Å; Y421-T423 PolarHBondContact O-N 2.76Å; T423-C426 PolarHBondContact O-N 3.38Å; T423-V427 WeakPolarHBondContact O-CG2 3.24Å; T423-V427 PolarHBondContact O-N 2.9Å
424D87.4Confident81.7Confident5 Ų525.1 Ų25.13%0.02712%0.118CC..Hα-helixtrans-70.6-35.9179-72.3-26.7000111.7F156 R160 K265 Y421 I422 V427 W428F156-D424 HydrophobicContact CB-CB 3.57Å; F156-D424 HydrophobicContact CD1-CB 3.66Å; F156-D424 HydrophobicContact CD2-CB 3.93Å; F156-D424 HydrophobicContact CE1-CB 4.36Å; F156-D424 HydrophobicContact CG-CB 3.42Å; F156-D424 VanDerWaalsContact CG-CB 3.42Å; R160-D424 IonicContact NH2-OD2 3.91Å; K265-D424 WeakPolarHBondContact CE-OD1 3.17Å; K265-D424 IonicContact NZ-OD1 3.26Å; K265-D424 PolarHBondContact NZ-OD1 3.29Å; K265-D424 IonicContact NZ-OD2 2.68Å; Y421-D424 PolarHBondContact O-N 2.94Å; I422-D424 VanDerWaalsContact C-N 3.3Å; I422-D424 PolarHBondContact O-N 3.36Å; D424-V427 PolarHBondContact O-N 2.94Å; D424-W428 WeakPolarHBondContact O-CB 3.41Å; D424-W428 PolarHBondContact O-N 3.33Å
425Y89.3Confident82.1Confident0 Ų026.4 Ų26.40%012%0.124CC..Hα-helixtrans-62.1-45.2170.5-83.3-64.8000112.6F156 A277 S280 L281 I284 Y421 I422 V427 W428 V429F156-Y425 AromaticContact CD2-CD1 3.74Å; F156-Y425 HydrophobicContact CD2-CD1 3.74Å; F156-Y425 AromaticContact CD2-CD2 3.83Å; F156-Y425 HydrophobicContact CD2-CD2 3.83Å; F156-Y425 AromaticContact CD2-CE1 3.64Å; F156-Y425 HydrophobicContact CD2-CE1 3.64Å; F156-Y425 AromaticContact CD2-CE2 3.74Å; F156-Y425 HydrophobicContact CD2-CE2 3.74Å; F156-Y425 AromaticContact CD2-CG 3.79Å; F156-Y425 HydrophobicContact CD2-CG 3.79Å; F156-Y425 AromaticContact CD2-CZ 3.6Å; F156-Y425 AromaticContact CE2-CD1 3.54Å; F156-Y425 HydrophobicContact CE2-CD1 3.54Å; F156-Y425 HydrophobicContact CE2-CD2 4.47Å; F156-Y425 AromaticContact CE2-CE1 3.52Å; F156-Y425 HydrophobicContact CE2-CE1 3.52Å; F156-Y425 HydrophobicContact CE2-CE2 4.47Å; F156-Y425 AromaticContact CE2-CG 4Å; F156-Y425 HydrophobicContact CE2-CG 4Å; F156-Y425 AromaticContact CE2-CZ 3.98Å; A277-Y425 HydrophobicContact CB-CE1 4.49Å; A277-Y425 WeakPolarHBondContact O-CE1 3.42Å; A277-Y425 PolarHBondContact O-OH 2.85Å; S280-Y425 PolarHBondContact OG-OH 2.96Å; L281-Y425 HydrophobicContact CB-CD1 4.2Å; L281-Y425 HydrophobicContact CB-CE1 3.79Å; L281-Y425 HydrophobicContact CD1-CD1 3.95Å; L281-Y425 HydrophobicContact CD1-CE1 4.37Å; L281-Y425 HydrophobicContact CD1-CG 4.28Å; L281-Y425 HydrophobicContact CD2-CD1 4.4Å; L281-Y425 HydrophobicContact CG-CD1 4.42Å; L281-Y425 HydrophobicContact CG-CE1 4.49Å; I284-Y425 HydrophobicContact CD1-CD2 3.88Å; I284-Y425 HydrophobicContact CD1-CE2 3.58Å; Y421-Y425 HydrophobicContact CD1-CE2 4.43Å; Y421-Y425 WeakPolarHBondContact O-CD2 3.29Å; Y421-Y425 PolarHBondContact O-N 2.99Å; I422-Y425 WeakPolarHBondContact O-CB 3.47Å; I422-Y425 PolarHBondContact O-N 3.48Å; Y425-V427 VanDerWaalsContact C-N 3.29Å; Y425-V427 PolarHBondContact O-N 3.38Å; Y425-W428 AromaticContact CD1-CE3 3.96Å; Y425-W428 HydrophobicContact CD1-CE3 3.96Å; Y425-W428 HydrophobicContact CD1-CZ3 4.27Å; Y425-W428 HydrophobicContact CE1-CE3 4.17Å; Y425-W428 HydrophobicContact CE1-CZ3 4.12Å; Y425-W428 PolarHBondContact O-N 3.42Å; Y425-V429 WeakPolarHBondContact O-CB 3.27Å; Y425-V429 WeakPolarHBondContact O-CG2 3.09Å; Y425-V429 PolarHBondContact O-N 3.34Å
426C89.3Confident82.3Confident0 Ų022.5 Ų22.50%011%0.11CC..Hα-helixtrans-57.1-43.7177.9-720000111.5L262 L400 I422 T423 Q430L262-C426 HydrophobicContact CD1-CB 3.63Å; L262-C426 HydrophobicContact CD2-CB 4.27Å; L400-C426 VanDerWaalsContact CB-SG 3.5Å; I422-C426 PolarHBondContact O-N 3.3Å; I422-C426 PolarHBondContact O-SG 2.67Å; I422-C426 VanDerWaalsContact O-SG 3.34Å; T423-C426 PolarHBondContact O-N 3.38Å; C426-Q430 VanDerWaalsContact O-CG 3.3Å; C426-Q430 WeakPolarHBondContact O-CG 3.47Å; C426-Q430 PolarHBondContact O-NE2 2.97Å
427V87.9Confident82.9Confident6 Ų623.4 Ų23.44%0.03611%0.114CC..Hα-helixtrans-73.4-42.9179.41780000111.3L262 P263 K265 V267 T423 D424 Y425 Q430 A431L262-V427 HydrophobicContact CB-CG2 4.14Å; L262-V427 HydrophobicContact CD1-CG2 4.39Å; P263-V427 HydrophobicContact CG-CG2 4.19Å; K265-V427 WeakPolarHBondContact O-CG1 3.46Å; V267-V427 HydrophobicContact CB-CG1 4.34Å; V267-V427 HydrophobicContact CG2-CB 4.01Å; V267-V427 HydrophobicContact CG2-CG1 3.67Å; T423-V427 WeakPolarHBondContact O-CG2 3.24Å; T423-V427 PolarHBondContact O-N 2.9Å; D424-V427 PolarHBondContact O-N 2.94Å; Y425-V427 VanDerWaalsContact C-N 3.29Å; Y425-V427 PolarHBondContact O-N 3.38Å; V427-Q430 PolarHBondContact O-N 3.48Å; V427-A431 PolarHBondContact O-N 3.03Å
428W86.3Confident83Confident10 Ų1024.7 Ų24.74%0.03812%0.12CC..Hα-helixtrans-65.1-43.5-178.6179.461.3000112.5F156 V267 V269 E274 A277 L278 D424 Y425 Q430 A431 L432F156-W428 HydrophobicContact CE1-CB 4.47Å; F156-W428 HydrophobicContact CE2-CB 3.95Å; F156-W428 AromaticContact CE2-CD2 3.95Å; F156-W428 HydrophobicContact CE2-CD2 3.95Å; F156-W428 AromaticContact CE2-CE3 3.76Å; F156-W428 HydrophobicContact CE2-CE3 3.76Å; F156-W428 HydrophobicContact CE2-CG 4.06Å; F156-W428 HydrophobicContact CZ-CB 3.56Å; F156-W428 AromaticContact CZ-CD2 3.65Å; F156-W428 HydrophobicContact CZ-CD2 3.65Å; F156-W428 AromaticContact CZ-CE3 3.97Å; F156-W428 HydrophobicContact CZ-CE3 3.97Å; F156-W428 AromaticContact CZ-CG 3.48Å; F156-W428 HydrophobicContact CZ-CG 3.48Å; F156-W428 VanDerWaalsContact CZ-CG 3.48Å; V267-W428 HydrophobicContact CB-CB 4.22Å; V267-W428 HydrophobicContact CG1-CB 3.96Å; V267-W428 HydrophobicContact CG1-CG 4.37Å; V269-W428 HydrophobicContact CG2-CD2 4.29Å; V269-W428 HydrophobicContact CG2-CG 4.28Å; V269-W428 HydrophobicContact CG2-CZ2 4.31Å; E274-W428 HydrophobicContact CG-CH2 4.5Å; E274-W428 HydrophobicContact CG-CZ2 4.01Å; A277-W428 HydrophobicContact CB-CH2 4.11Å; A277-W428 HydrophobicContact CB-CZ3 4.28Å; L278-W428 HydrophobicContact CD2-CH2 3.63Å; L278-W428 HydrophobicContact CD2-CZ3 4.04Å; L278-W428 HydrophobicContact CG-CH2 3.9Å; D424-W428 WeakPolarHBondContact O-CB 3.41Å; D424-W428 PolarHBondContact O-N 3.33Å; Y425-W428 AromaticContact CD1-CE3 3.96Å; Y425-W428 HydrophobicContact CD1-CE3 3.96Å; Y425-W428 HydrophobicContact CD1-CZ3 4.27Å; Y425-W428 HydrophobicContact CE1-CE3 4.17Å; Y425-W428 HydrophobicContact CE1-CZ3 4.12Å; Y425-W428 PolarHBondContact O-N 3.42Å; W428-Q430 VanDerWaalsContact C-N 3.26Å; W428-Q430 PolarHBondContact O-N 3.14Å; W428-A431 PolarHBondContact O-N 3.3Å; W428-L432 HydrophobicContact CD2-CD1 4.16Å; W428-L432 HydrophobicContact CD2-CG 4.32Å; W428-L432 HydrophobicContact CE3-CD1 4.16Å; W428-L432 HydrophobicContact CH2-CD1 4.03Å; W428-L432 HydrophobicContact CZ2-CD1 4Å; W428-L432 HydrophobicContact CZ2-CD2 3.8Å; W428-L432 HydrophobicContact CZ2-CG 4.3Å; W428-L432 HydrophobicContact CZ3-CD1 4.11Å; W428-L432 WeakPolarHBondContact O-CG 3.24Å; W428-L432 PolarHBondContact O-N 3.13Å
429V85.4Confident82.9Confident3 Ų326 Ų262%0.01813%0.126CC..Hα-helixtrans-60.3-37.5177.6169.50000111.6L281 L396 I397 L400 Y425 A431 L432L281-V429 HydrophobicContact CD2-CG2 4.23Å; L396-V429 HydrophobicContact CD2-CB 4.1Å; L396-V429 HydrophobicContact CD2-CG1 3.57Å; L396-V429 HydrophobicContact CD2-CG2 3.51Å; I397-V429 HydrophobicContact CD1-CG1 4.14Å; I397-V429 HydrophobicContact CG1-CB 4.38Å; I397-V429 HydrophobicContact CG1-CG1 3.76Å; L400-V429 HydrophobicContact CD1-CG2 4.12Å; Y425-V429 WeakPolarHBondContact O-CB 3.27Å; Y425-V429 WeakPolarHBondContact O-CG2 3.09Å; Y425-V429 PolarHBondContact O-N 3.34Å; V429-A431 VanDerWaalsContact C-N 3.28Å; V429-A431 PolarHBondContact O-N 3.23Å; V429-L432 PolarHBondContact O-N 3.37Å
430Q83.3Confident83.1Confident0 Ų021.9 Ų21.90%010%0.104CC..Hα-helixtrans-65.8-30.3175.2-72.9177.787.100112.8M92 T94 I397 C426 V427 W428M92-Q430 HydrophobicContact CB-CB 4.19Å; M92-Q430 HydrophobicContact CB-CG 4.29Å; M92-Q430 HydrophobicContact SD-CB 4.06Å; M92-Q430 HydrophobicContact SD-CG 3.67Å; T94-Q430 PolarHBondContact OG1-NE2 2.98Å; T94-Q430 VanDerWaalsContact OG1-NE2 3.12Å; T94-Q430 PolarHBondContact OG1-OE1 2.99Å; I397-Q430 HydrophobicContact CD1-CG 3.42Å; I397-Q430 VanDerWaalsContact CD1-CG 3.42Å; I397-Q430 HydrophobicContact CG1-CG 4.3Å; C426-Q430 VanDerWaalsContact O-CG 3.3Å; C426-Q430 WeakPolarHBondContact O-CG 3.47Å; C426-Q430 PolarHBondContact O-NE2 2.97Å; V427-Q430 PolarHBondContact O-N 3.48Å; W428-Q430 VanDerWaalsContact C-N 3.26Å; W428-Q430 PolarHBondContact O-N 3.14Å
431A80.7Confident83.4Confident42 Ų4223.5 Ų23.535%0.34711%0.111SC..Hα-helixtrans-84.6-19.5179.100000113.9V427 W428 V429 R433V427-A431 PolarHBondContact O-N 3.03Å; W428-A431 PolarHBondContact O-N 3.3Å; V429-A431 VanDerWaalsContact C-N 3.28Å; V429-A431 PolarHBondContact O-N 3.23Å; A431-R433 PolarHBondContact O-N 3.25Å
432L74.9Confident83.4Confident25 Ų2524.6 Ų24.613%0.13112%0.117CC..  trans-65.5124.5178-71.9174.7000110.2L342 K393 W428 V429L342-L432 HydrophobicContact CD1-CB 3.33Å; L342-L432 HydrophobicContact CD1-CD1 3.69Å; L342-L432 HydrophobicContact CD1-CG 4.14Å; L342-L432 HydrophobicContact CD2-CD1 4.01Å; L342-L432 HydrophobicContact CG-CB 4.15Å; L342-L432 HydrophobicContact CG-CD1 3.98Å; K393-L432 VanDerWaalsContact CE-O 3.23Å; K393-L432 WeakPolarHBondContact CE-O 3.37Å; K393-L432 PolarHBondContact NZ-O 2.8Å; W428-L432 HydrophobicContact CD2-CD1 4.16Å; W428-L432 HydrophobicContact CD2-CG 4.32Å; W428-L432 HydrophobicContact CE3-CD1 4.16Å; W428-L432 HydrophobicContact CH2-CD1 4.03Å; W428-L432 HydrophobicContact CZ2-CD1 4Å; W428-L432 HydrophobicContact CZ2-CD2 3.8Å; W428-L432 HydrophobicContact CZ2-CG 4.3Å; W428-L432 HydrophobicContact CZ3-CD1 4.11Å; W428-L432 WeakPolarHBondContact O-CG 3.24Å; W428-L432 PolarHBondContact O-N 3.13Å; V429-L432 PolarHBondContact O-N 3.37Å
433R60.9Low83Confident189 Ų18926.8 Ų26.871%0.71313%0.127SC*.  trans-81.80178.9-71-177175.3175.5-4.8112.4E100 K393 A431E100-R433 IonicContact OE1-NH2 2.74Å; K393-R433 PolarHBondContact NZ-OXT 3.38Å; A431-R433 PolarHBondContact O-N 3.25Å

Retrieved 433 of 433 residues in 105.2 ms (Link to these results)

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