A0A5K4FAL6_SCHMA Loading...

Adenylate cyclase

AlphaFold DB , UniProt , Accession A0A5K4FAL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 567 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.6Low80.1Confident227 Ų22788.8 Ų88.8100%1.11842%0.422SS*.  0130.60-149.9159.296.600108.5
2W68.6Low80.9Confident158 Ų15881.8 Ų81.860%0.59839%0.389SS*.  trans-70.9141.9-179.1-68.444000110.1R6 K7 I10W2-R6 HydrophobicContact CE3-CB 4.03Å; W2-K7 HydrophobicContact CB-CG 4.31Å; W2-K7 WeakPolarHBondContact O-CE 3.49Å; W2-I10 HydrophobicContact CD2-CD1 4.41Å; W2-I10 HydrophobicContact CE3-CD1 3.32Å; W2-I10 HydrophobicContact CE3-CG1 4.48Å; W2-I10 HydrophobicContact CH2-CD1 3.96Å; W2-I10 HydrophobicContact CZ3-CD1 3.06Å; W2-I10 HydrophobicContact CZ3-CG1 3.94Å
3S79.1Confident81.6Confident49 Ų4977.1 Ų77.134%0.34337%0.369SS..  trans-62.5149.5175.864.40000111.3E5 R6 K7S3-E5 PolarHBondContact O-N 2.9Å; S3-R6 PolarHBondContact O-N 3.17Å; S3-R6 WeakPolarHBondContact OG-CG 3.36Å; S3-K7 PolarHBondContact O-N 3.38Å
4S79.7Confident82.2Confident76 Ų7676.4 Ų76.453%0.53137%0.367SS..Hα-helixtrans-55.3-40.2-179.5-58.20000112.4R6 K7 I8S4-R6 VanDerWaalsContact C-N 3.34Å; S4-R6 PolarHBondContact O-N 2.89Å; S4-K7 WeakPolarHBondContact O-CB 3.16Å; S4-K7 PolarHBondContact O-N 3.37Å; S4-I8 WeakPolarHBondContact O-CG1 3.46Å; S4-I8 PolarHBondContact O-N 3.2Å; S4-I8 VanDerWaalsContact O-N 3.1Å
5E81.6Confident82.5Confident46 Ų4671.4 Ų71.422%0.21534%0.343CS..Hα-helixtrans-57.3-43.4174.8-55.6166.8148.100112.5S3 I8 A9 R184 F243S3-E5 PolarHBondContact O-N 2.9Å; E5-I8 PolarHBondContact O-N 3.19Å; E5-A9 PolarHBondContact O-N 3.07Å; E5-R184 VanDerWaalsContact CD-NH2 3.26Å; E5-R184 IonicContact OE1-CZ 3Å; E5-R184 IonicContact OE1-NH1 2.7Å; E5-R184 IonicContact OE1-NH2 3.17Å; E5-R184 PolarHBondContact OE1-NH2 2.8Å; E5-R184 IonicContact OE2-CZ 2.67Å; E5-R184 IonicContact OE2-NH1 2.7Å; E5-R184 PolarHBondContact OE2-NH1 2.85Å; E5-R184 IonicContact OE2-NH2 2.72Å; E5-R184 PolarHBondContact OE2-NH2 2.84Å; E5-R184 VanDerWaalsContact OE2-NH2 3.12Å; E5-F243 HydrophobicContact CG-CE1 4Å; E5-F243 HydrophobicContact CG-CZ 4.47Å
6R84.7Confident82.8Confident132 Ų13267.1 Ų67.150%0.49832%0.323SS..Hα-helixtrans-67.4-39.2179.7-73.2178.6-175.3-172.24.3111.1W2 S3 S4 I8 A9 I10 Y188W2-R6 HydrophobicContact CE3-CB 4.03Å; S3-R6 PolarHBondContact O-N 3.17Å; S3-R6 WeakPolarHBondContact OG-CG 3.36Å; S4-R6 VanDerWaalsContact C-N 3.34Å; S4-R6 PolarHBondContact O-N 2.89Å; R6-I8 VanDerWaalsContact C-N 3.28Å; R6-I8 PolarHBondContact O-N 2.97Å; R6-A9 PolarHBondContact O-N 2.92Å; R6-I10 WeakPolarHBondContact O-CD1 3.38Å; R6-I10 WeakPolarHBondContact O-CG1 3.37Å; R6-I10 PolarHBondContact O-N 2.78Å; R6-Y188 WeakPolarHBondContact CG-OH 3.33Å
7K86.2Confident83.2Confident103 Ų10366.9 Ų66.945%0.44832%0.322SS..Hα-helixtrans-60.2-41175.8-65.1-179.5-178.31790111W2 S3 S4 K11W2-K7 HydrophobicContact CB-CG 4.31Å; W2-K7 WeakPolarHBondContact O-CE 3.49Å; S3-K7 PolarHBondContact O-N 3.38Å; S4-K7 WeakPolarHBondContact O-CB 3.16Å; S4-K7 PolarHBondContact O-N 3.37Å; K7-K11 WeakPolarHBondContact O-CG 3.44Å; K7-K11 PolarHBondContact O-N 3.27Å; K7-K11 VanDerWaalsContact O-N 3.11Å
8I86.3Confident83.5Confident15 Ų1566.5 Ų66.58%0.07732%0.319CS..Hα-helixtrans-65.8-47.9176-68.8172000111S4 E5 R6 I10 K11 L12 I160 P238 T240 F243S4-I8 WeakPolarHBondContact O-CG1 3.46Å; S4-I8 PolarHBondContact O-N 3.2Å; S4-I8 VanDerWaalsContact O-N 3.1Å; E5-I8 PolarHBondContact O-N 3.19Å; R6-I8 VanDerWaalsContact C-N 3.28Å; R6-I8 PolarHBondContact O-N 2.97Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.05Å; I8-K11 PolarHBondContact O-N 3.28Å; I8-K11 VanDerWaalsContact O-N 3.13Å; I8-L12 HydrophobicContact CG2-CD1 4.04Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CG 3.11Å; I8-L12 PolarHBondContact O-N 3.36Å; I8-I160 HydrophobicContact CG2-CG2 4.32Å; I8-P238 HydrophobicContact CG1-CG 3.9Å; I8-P238 HydrophobicContact CG2-CG 4.4Å; I8-T240 HydrophobicContact CG2-CG2 3.55Å; I8-F243 HydrophobicContact CD1-CD2 3.87Å; I8-F243 HydrophobicContact CD1-CE2 3.17Å; I8-F243 HydrophobicContact CD1-CZ 3.89Å
9A87.3Confident83.9Confident6 Ų663 Ų635%0.0530%0.302CS..Hα-helixtrans-56.4-44.2178.100000111.6E5 R6 L12 V13 F157 I160 Y188E5-A9 PolarHBondContact O-N 3.07Å; R6-A9 PolarHBondContact O-N 2.92Å; A9-L12 PolarHBondContact O-N 3.21Å; A9-V13 WeakPolarHBondContact O-CG2 3.29Å; A9-V13 PolarHBondContact O-N 2.95Å; A9-F157 HydrophobicContact CB-CE1 4.23Å; A9-I160 HydrophobicContact CB-CD1 3.95Å; A9-Y188 HydrophobicContact CB-CD1 4.33Å; A9-Y188 HydrophobicContact CB-CE1 4.26Å; A9-Y188 HydrophobicContact CB-CE2 4.49Å
10I88.7Confident84.3Confident63 Ų6361.3 Ų61.332%0.32329%0.294SS..Hα-helixtrans-60.5-47.6175.8-65.2159.1000111.4W2 R6 I8 L12 V13 I14W2-I10 HydrophobicContact CD2-CD1 4.41Å; W2-I10 HydrophobicContact CE3-CD1 3.32Å; W2-I10 HydrophobicContact CE3-CG1 4.48Å; W2-I10 HydrophobicContact CH2-CD1 3.96Å; W2-I10 HydrophobicContact CZ3-CD1 3.06Å; W2-I10 HydrophobicContact CZ3-CG1 3.94Å; R6-I10 WeakPolarHBondContact O-CD1 3.38Å; R6-I10 WeakPolarHBondContact O-CG1 3.37Å; R6-I10 PolarHBondContact O-N 2.78Å; I8-I10 VanDerWaalsContact C-N 3.29Å; I8-I10 PolarHBondContact O-N 3.05Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.07Å; I10-V13 PolarHBondContact O-N 3.38Å; I10-I14 HydrophobicContact CG2-CD1 3.58Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.11Å; I10-I14 PolarHBondContact O-N 3.06Å
11K88.9Confident84.6Confident102 Ų10259.3 Ų59.344%0.44329%0.286SS..Hα-helixtrans-59.3-41.5178.8-74.1-176.4177.3-166.50111.7K7 I8 L15 P238K7-K11 WeakPolarHBondContact O-CG 3.44Å; K7-K11 PolarHBondContact O-N 3.27Å; K7-K11 VanDerWaalsContact O-N 3.11Å; I8-K11 PolarHBondContact O-N 3.28Å; I8-K11 VanDerWaalsContact O-N 3.13Å; K11-L15 PolarHBondContact O-N 2.91Å; K11-P238 HydrophobicContact CD-CG 4.11Å
12L88.9Confident86.5Confident5 Ų548.5 Ų48.53%0.02623%0.233CC..Hα-helixtrans-61.2-50174.2-70.4170.5000110.9I8 A9 I10 I14 L15 T16 C156 F157 L237I8-L12 HydrophobicContact CG2-CD1 4.04Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CG 3.11Å; I8-L12 PolarHBondContact O-N 3.36Å; A9-L12 PolarHBondContact O-N 3.21Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.07Å; L12-I14 VanDerWaalsContact C-N 3.35Å; L12-I14 PolarHBondContact O-N 3.37Å; L12-L15 PolarHBondContact O-N 3.3Å; L12-T16 WeakPolarHBondContact O-CG2 3.37Å; L12-T16 PolarHBondContact O-N 3.26Å; L12-T16 PolarHBondContact O-OG1 3.28Å; L12-T16 VanDerWaalsContact O-OG1 3.1Å; L12-C156 HydrophobicContact CD1-CB 3.73Å; L12-F157 HydrophobicContact CB-CE1 4.48Å; L12-F157 HydrophobicContact CD1-CD1 4.47Å; L12-F157 HydrophobicContact CD1-CE1 4.21Å; L12-L237 HydrophobicContact CD2-CD2 3.92Å
13V90.7Very high87.6Confident20 Ų2041.9 Ų41.912%0.12121%0.208CC..Hα-helixtrans-60.5-41.4179.3173.90000112.4A9 I10 T16 M17 F157 V195A9-V13 WeakPolarHBondContact O-CG2 3.29Å; A9-V13 PolarHBondContact O-N 2.95Å; I10-V13 PolarHBondContact O-N 3.38Å; V13-T16 VanDerWaalsContact C-OG1 3.3Å; V13-T16 VanDerWaalsContact CA-OG1 3.27Å; V13-T16 WeakPolarHBondContact CA-OG1 3.44Å; V13-T16 PolarHBondContact O-N 3.02Å; V13-T16 PolarHBondContact O-OG1 3.25Å; V13-M17 WeakPolarHBondContact O-CB 3.07Å; V13-M17 PolarHBondContact O-N 3.47Å; V13-F157 HydrophobicContact CG2-CZ 4.13Å; V13-V195 HydrophobicContact CG1-CB 3.93Å; V13-V195 HydrophobicContact CG1-CG1 3.86Å; V13-V195 HydrophobicContact CG1-CG2 3.73Å
14I89.2Confident88.2Confident68 Ų6840.4 Ų40.435%0.34920%0.198SC..Hα-helixtrans-65-48.3178.2-67.5171.1000110.7I10 L12 T16 M17 F18 M233I10-I14 HydrophobicContact CG2-CD1 3.58Å; I10-I14 HydrophobicContact CG2-CG1 4.17Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.11Å; I10-I14 PolarHBondContact O-N 3.06Å; L12-I14 VanDerWaalsContact C-N 3.35Å; L12-I14 PolarHBondContact O-N 3.37Å; I14-T16 PolarHBondContact O-N 2.68Å; I14-M17 WeakPolarHBondContact O-CB 3.35Å; I14-M17 PolarHBondContact O-N 2.93Å; I14-F18 HydrophobicContact CG2-CD2 4.02Å; I14-F18 HydrophobicContact CG2-CE2 3.71Å; I14-F18 WeakPolarHBondContact O-CD2 3.18Å; I14-F18 PolarHBondContact O-N 3.46Å; I14-M233 HydrophobicContact CG2-CE 3.83Å
15L87.7Confident88.8Confident1 Ų136.8 Ų36.81%0.00517%0.172CC..Hα-helixtrans-55.8-45.9176.4174.868.7000110.6K11 L12 M17 F18 T19 F149 M233 L234 L237K11-L15 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.3Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.08Å; L15-F18 PolarHBondContact O-N 3.39Å; L15-T19 PolarHBondContact O-N 3.48Å; L15-T19 PolarHBondContact O-OG1 3.2Å; L15-T19 VanDerWaalsContact O-OG1 3.1Å; L15-F149 HydrophobicContact CD2-CZ 4.27Å; L15-M233 HydrophobicContact CD1-CB 3.83Å; L15-L234 HydrophobicContact CD2-CD1 4.32Å; L15-L237 HydrophobicContact CD2-CD1 3.42Å; L15-L237 VanDerWaalsContact CD2-CD1 3.42Å; L15-L237 HydrophobicContact CD2-CD2 3.67Å; L15-L237 HydrophobicContact CD2-CG 3.67Å
16T86.7Confident89.4Confident3 Ų334.8 Ų34.82%0.01816%0.163CC..Hα-helixtrans-67.8-33.5-176.754.50000112.8L12 V13 I14 F18 T19 Q20 F149 I153 Y192L12-T16 WeakPolarHBondContact O-CG2 3.37Å; L12-T16 PolarHBondContact O-N 3.26Å; L12-T16 PolarHBondContact O-OG1 3.28Å; L12-T16 VanDerWaalsContact O-OG1 3.1Å; V13-T16 VanDerWaalsContact C-OG1 3.3Å; V13-T16 VanDerWaalsContact CA-OG1 3.27Å; V13-T16 WeakPolarHBondContact CA-OG1 3.44Å; V13-T16 PolarHBondContact O-N 3.02Å; V13-T16 PolarHBondContact O-OG1 3.25Å; I14-T16 PolarHBondContact O-N 2.68Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.45Å; T16-T19 PolarHBondContact O-N 3.14Å; T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 PolarHBondContact O-N 3.48Å; T16-F149 HydrophobicContact CG2-CE1 3.96Å; T16-I153 HydrophobicContact CG2-CD1 3.13Å; T16-I153 HydrophobicContact CG2-CG1 3.79Å; T16-Y192 HydrophobicContact CG2-CD2 4.31Å; T16-Y192 HydrophobicContact CG2-CE2 3.71Å
17M90Very high89.7Confident63 Ų6332.2 Ų32.231%0.3116%0.156SC..Hα-helixtrans-57.3-48.5174.2-173.5-169.37600110.7V13 I14 L15 S21 V195 A199V13-M17 WeakPolarHBondContact O-CB 3.07Å; V13-M17 PolarHBondContact O-N 3.47Å; I14-M17 WeakPolarHBondContact O-CB 3.35Å; I14-M17 PolarHBondContact O-N 2.93Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.08Å; M17-S21 WeakPolarHBondContact O-CB 3.41Å; M17-S21 PolarHBondContact O-N 3.07Å; M17-S21 PolarHBondContact O-OG 2.82Å; M17-V195 HydrophobicContact CB-CG1 3.69Å; M17-V195 HydrophobicContact CG-CG1 3.74Å; M17-V195 HydrophobicContact SD-CG1 4.32Å; M17-A199 HydrophobicContact CG-CB 3.93Å
18F89Confident90Very high60 Ų6028.1 Ų28.126%0.26314%0.139SC..Hα-helixtrans-69.1-44.7178.6-70.8-68.9000112I14 L15 T16 Q20 S21 F22 I229 S230 M233I14-F18 HydrophobicContact CG2-CD2 4.02Å; I14-F18 HydrophobicContact CG2-CE2 3.71Å; I14-F18 WeakPolarHBondContact O-CD2 3.18Å; I14-F18 PolarHBondContact O-N 3.46Å; L15-F18 PolarHBondContact O-N 3.39Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.45Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.15Å; F18-S21 WeakPolarHBondContact O-CB 3.43Å; F18-S21 PolarHBondContact O-N 3.18Å; F18-S21 VanDerWaalsContact O-N 3.15Å; F18-F22 VanDerWaalsContact O-CD1 3.31Å; F18-F22 WeakPolarHBondContact O-CD1 3.07Å; F18-F22 PolarHBondContact O-N 3.35Å; F18-I229 HydrophobicContact CD1-CG2 4.04Å; F18-I229 HydrophobicContact CE1-CG2 4.01Å; F18-S230 WeakPolarHBondContact CB-OG 3.49Å; F18-S230 PolarHBondContact O-OG 3.45Å; F18-M233 HydrophobicContact CD2-CG 4.19Å; F18-M233 HydrophobicContact CE2-CG 4.49Å
19T90.1Very high90.3Very high0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-60.5-42.5177.7-56.20000112.7L15 T16 F22 W23 F109 L112 F149L15-T19 PolarHBondContact O-N 3.48Å; L15-T19 PolarHBondContact O-OG1 3.2Å; L15-T19 VanDerWaalsContact O-OG1 3.1Å; T16-T19 PolarHBondContact O-N 3.14Å; T19-F22 HydrophobicContact CG2-CE1 3.88Å; T19-F22 HydrophobicContact CG2-CZ 3.87Å; T19-F22 WeakPolarHBondContact O-CD1 3.41Å; T19-W23 WeakPolarHBondContact O-CB 3.46Å; T19-W23 PolarHBondContact O-N 2.96Å; T19-F109 HydrophobicContact CG2-CD2 4.17Å; T19-F109 HydrophobicContact CG2-CE2 4.19Å; T19-L112 HydrophobicContact CG2-CD1 3.52Å; T19-F149 HydrophobicContact CG2-CD1 4.26Å; T19-F149 HydrophobicContact CG2-CE1 3.79Å; T19-F149 HydrophobicContact CG2-CZ 3.97Å
20Q92.1Very high90.6Very high29 Ų2927.8 Ų27.814%0.13614%0.137CC..Hα-helixtrans-64.7-41.8175.4-175.869.822.200111.6T16 F18 W23 S24 C196 A199 S200T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 PolarHBondContact O-N 3.48Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.15Å; Q20-W23 PolarHBondContact O-N 3.27Å; Q20-S24 WeakPolarHBondContact O-CB 3.06Å; Q20-S24 PolarHBondContact O-N 2.83Å; Q20-S24 PolarHBondContact O-OG 2.95Å; Q20-C196 HydrophobicContact CG-CB 3.95Å; Q20-C196 WeakPolarHBondContact CG-O 3.49Å; Q20-A199 HydrophobicContact CG-CB 4.41Å; Q20-S200 WeakPolarHBondContact CG-OG 2.94Å; Q20-S200 PolarHBondContact NE2-OG 3.07Å
21S91.4Very high90.8Very high20 Ų2025.7 Ų25.714%0.1413%0.126CC..Hα-helixtrans-57.7-57.6-178.4-64.70000111M17 F18 W23 S24 G25 V203M17-S21 WeakPolarHBondContact O-CB 3.41Å; M17-S21 PolarHBondContact O-N 3.07Å; M17-S21 PolarHBondContact O-OG 2.82Å; F18-S21 WeakPolarHBondContact O-CB 3.43Å; F18-S21 PolarHBondContact O-N 3.18Å; F18-S21 VanDerWaalsContact O-N 3.15Å; S21-W23 VanDerWaalsContact C-N 3.34Å; S21-W23 PolarHBondContact O-N 3.04Å; S21-S24 PolarHBondContact O-OG 3.3Å; S21-G25 PolarHBondContact O-N 3.49Å; S21-G25 VanDerWaalsContact O-N 3.15Å; S21-V203 WeakPolarHBondContact O-CG1 3.46Å
22F90.2Very high90.9Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-65.7-39.9-177.276.2-107.8000111.5F18 T19 G25 F26 F109 L112 I116 M223 C227 S230F18-F22 VanDerWaalsContact O-CD1 3.31Å; F18-F22 WeakPolarHBondContact O-CD1 3.07Å; F18-F22 PolarHBondContact O-N 3.35Å; T19-F22 HydrophobicContact CG2-CE1 3.88Å; T19-F22 HydrophobicContact CG2-CZ 3.87Å; T19-F22 WeakPolarHBondContact O-CD1 3.41Å; F22-G25 PolarHBondContact O-N 3.45Å; F22-F26 WeakPolarHBondContact O-CB 3.25Å; F22-F26 WeakPolarHBondContact O-CD2 3.29Å; F22-F26 PolarHBondContact O-N 3.04Å; F22-F109 AromaticContact CE1-CE2 3.65Å; F22-F109 HydrophobicContact CE1-CE2 3.65Å; F22-F109 AromaticContact CE1-CZ 3.95Å; F22-F109 HydrophobicContact CE1-CZ 3.95Å; F22-F109 AromaticContact CZ-CE2 3.85Å; F22-F109 HydrophobicContact CZ-CE2 3.85Å; F22-F109 HydrophobicContact CZ-CZ 4.15Å; F22-L112 HydrophobicContact CE2-CB 4.24Å; F22-L112 HydrophobicContact CZ-CB 4.2Å; F22-L112 HydrophobicContact CZ-CD1 4.37Å; F22-I116 HydrophobicContact CD2-CD1 3.07Å; F22-I116 HydrophobicContact CD2-CG1 4.5Å; F22-I116 HydrophobicContact CE2-CD1 3.08Å; F22-I116 HydrophobicContact CG-CD1 4.32Å; F22-I116 HydrophobicContact CZ-CD1 4.29Å; F22-M223 WeakPolarHBondContact O-CE 3.36Å; F22-C227 HydrophobicContact CB-CB 4.38Å; F22-C227 HydrophobicContact CG-CB 4.31Å; F22-S230 WeakPolarHBondContact CD1-OG 3.36Å
23W91.9Very high91.1Very high18 Ų1821 Ų217%0.06811%0.105CC..Hα-helixtrans-66.1-48.5-175.1179.5-91.9000111.2T19 Q20 S21 G25 F26 Q27 L81 L112 N115 I116 L146T19-W23 WeakPolarHBondContact O-CB 3.46Å; T19-W23 PolarHBondContact O-N 2.96Å; Q20-W23 PolarHBondContact O-N 3.27Å; S21-W23 VanDerWaalsContact C-N 3.34Å; S21-W23 PolarHBondContact O-N 3.04Å; W23-G25 VanDerWaalsContact C-N 3.33Å; W23-G25 PolarHBondContact O-N 3.4Å; W23-F26 PolarHBondContact O-N 3.39Å; W23-Q27 WeakPolarHBondContact O-CB 3.45Å; W23-Q27 PolarHBondContact O-N 3.36Å; W23-L81 HydrophobicContact CZ2-CD2 4.22Å; W23-L112 HydrophobicContact CD2-CD2 3.75Å; W23-L112 HydrophobicContact CE3-CB 4.04Å; W23-L112 HydrophobicContact CE3-CD2 3.35Å; W23-L112 HydrophobicContact CE3-CG 4.25Å; W23-L112 HydrophobicContact CH2-CD2 3.83Å; W23-L112 HydrophobicContact CZ2-CD2 4.21Å; W23-L112 HydrophobicContact CZ3-CB 4.09Å; W23-L112 HydrophobicContact CZ3-CD2 3.39Å; W23-L112 HydrophobicContact CZ3-CG 4.34Å; W23-N115 HydrophobicContact CH2-CB 4.16Å; W23-N115 HydrophobicContact CZ3-CB 3.89Å; W23-I116 HydrophobicContact CE3-CD1 4.35Å; W23-L146 HydrophobicContact CG-CB 4.27Å; W23-L146 HydrophobicContact CG-CD2 4.13Å
24S91.5Very high91.2Very high18 Ų1820 Ų2013%0.12610%0.1CC..Hα-helixtrans-64.4-37.5179.357.20000112.5Q20 S21 Q27 F28 S200Q20-S24 WeakPolarHBondContact O-CB 3.06Å; Q20-S24 PolarHBondContact O-N 2.83Å; Q20-S24 PolarHBondContact O-OG 2.95Å; S21-S24 PolarHBondContact O-OG 3.3Å; S24-Q27 PolarHBondContact O-N 2.82Å; S24-F28 WeakPolarHBondContact O-CB 3.44Å; S24-F28 PolarHBondContact O-N 2.95Å; S24-S200 VanDerWaalsContact CB-OG 3.23Å; S24-S200 WeakPolarHBondContact CB-OG 3.32Å; S24-S200 WeakPolarHBondContact OG-CA 3.17Å; S24-S200 PolarHBondContact OG-OG 2.98Å
25G92.6Very high91.3Very high0 Ų017.7 Ų17.70%09%0.087CC..Hα-helixtrans-66.9-41.6173.900000113.6S21 F22 W23 F28 L29S21-G25 PolarHBondContact O-N 3.49Å; S21-G25 VanDerWaalsContact O-N 3.15Å; F22-G25 PolarHBondContact O-N 3.45Å; W23-G25 VanDerWaalsContact C-N 3.33Å; W23-G25 PolarHBondContact O-N 3.4Å; G25-F28 PolarHBondContact O-N 2.9Å; G25-L29 VanDerWaalsContact O-CB 3.27Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3.02Å
26F92.9Very high91.4Very high4 Ų420.3 Ų20.32%0.01810%0.097CC..Hα-helixtrans-65.7-39174.6-96.3-73000112.6F22 W23 L29 T30 I116 S120 M223 L224F22-F26 WeakPolarHBondContact O-CB 3.25Å; F22-F26 WeakPolarHBondContact O-CD2 3.29Å; F22-F26 PolarHBondContact O-N 3.04Å; W23-F26 PolarHBondContact O-N 3.39Å; F26-L29 HydrophobicContact CD1-CD2 4.4Å; F26-L29 HydrophobicContact CE1-CD2 4.4Å; F26-L29 PolarHBondContact O-N 2.92Å; F26-T30 VanDerWaalsContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CB 3.44Å; F26-T30 PolarHBondContact O-N 3.34Å; F26-T30 PolarHBondContact O-OG1 3.23Å; F26-I116 HydrophobicContact CB-CG1 4.25Å; F26-I116 HydrophobicContact CD1-CG1 4.47Å; F26-I116 HydrophobicContact CD1-CG2 4.29Å; F26-I116 HydrophobicContact CD2-CB 4.44Å; F26-I116 HydrophobicContact CD2-CD1 3.88Å; F26-I116 HydrophobicContact CD2-CG1 3.84Å; F26-I116 HydrophobicContact CD2-CG2 3.79Å; F26-I116 HydrophobicContact CE1-CG2 3.94Å; F26-I116 HydrophobicContact CE2-CB 4.46Å; F26-I116 HydrophobicContact CE2-CD1 4.39Å; F26-I116 HydrophobicContact CE2-CG1 4.33Å; F26-I116 HydrophobicContact CE2-CG2 3.37Å; F26-I116 HydrophobicContact CG-CD1 4.38Å; F26-I116 HydrophobicContact CG-CG1 3.93Å; F26-I116 HydrophobicContact CG-CG2 4.23Å; F26-I116 HydrophobicContact CZ-CG2 3.48Å; F26-I116 VanDerWaalsContact CZ-CG2 3.48Å; F26-S120 VanDerWaalsContact CE1-OG 3.24Å; F26-S120 WeakPolarHBondContact CE1-OG 3.3Å; F26-S120 WeakPolarHBondContact CZ-OG 3.36Å; F26-M223 HydrophobicContact CD2-CB 3.95Å; F26-M223 HydrophobicContact CD2-CE 4.32Å; F26-M223 HydrophobicContact CE1-CB 4.32Å; F26-M223 VanDerWaalsContact CE2-C 3.47Å; F26-M223 HydrophobicContact CE2-CB 3.45Å; F26-M223 VanDerWaalsContact CE2-CB 3.45Å; F26-M223 WeakPolarHBondContact CE2-O 3.16Å; F26-M223 HydrophobicContact CZ-CB 3.64Å; F26-L224 HydrophobicContact CZ-CD2 3.94Å; F26-L224 HydrophobicContact CZ-CG 3.93Å
27Q92Very high91.6Very high78 Ų7822.5 Ų22.536%0.36411%0.105SC..Hα-helixtrans-64-44.4175.2-175.7173.5-3.400111W23 S24 T30 N31W23-Q27 WeakPolarHBondContact O-CB 3.45Å; W23-Q27 PolarHBondContact O-N 3.36Å; S24-Q27 PolarHBondContact O-N 2.82Å; Q27-T30 PolarHBondContact O-N 3.24Å; Q27-N31 WeakPolarHBondContact O-CB 3.35Å; Q27-N31 VanDerWaalsContact O-CG 3.23Å; Q27-N31 PolarHBondContact O-N 3.44Å; Q27-N31 PolarHBondContact O-OD1 2.94Å
28F92.3Very high91.6Very high18 Ų1820.4 Ų20.48%0.0799%0.094CC..Hα-helixtrans-59.5-51.9174.1-175.1-83.6000111S24 G25 T30 N31 Q32 A204 T207 I211 V333 Y336S24-F28 WeakPolarHBondContact O-CB 3.44Å; S24-F28 PolarHBondContact O-N 2.95Å; G25-F28 PolarHBondContact O-N 2.9Å; F28-T30 VanDerWaalsContact C-N 3.34Å; F28-T30 PolarHBondContact O-N 3.08Å; F28-N31 PolarHBondContact O-N 3.44Å; F28-Q32 HydrophobicContact CD1-CG 3.97Å; F28-Q32 HydrophobicContact CE1-CG 3.68Å; F28-Q32 HydrophobicContact CZ-CG 4.14Å; F28-Q32 WeakPolarHBondContact O-CG 3.47Å; F28-Q32 PolarHBondContact O-N 3.47Å; F28-A204 HydrophobicContact CD2-CB 4.32Å; F28-T207 HydrophobicContact CD1-CG2 3.7Å; F28-T207 HydrophobicContact CE1-CG2 4.33Å; F28-I211 HydrophobicContact CD1-CD1 4.26Å; F28-I211 HydrophobicContact CE1-CD1 4.1Å; F28-V333 HydrophobicContact CE1-CG1 4.34Å; F28-V333 HydrophobicContact CZ-CG1 4.5Å; F28-Y336 HydrophobicContact CD2-CE1 4.22Å; F28-Y336 AromaticContact CE2-CD1 3.59Å; F28-Y336 HydrophobicContact CE2-CD1 3.59Å; F28-Y336 AromaticContact CE2-CE1 3.51Å; F28-Y336 HydrophobicContact CE2-CE1 3.51Å; F28-Y336 AromaticContact CZ-CD1 3.95Å; F28-Y336 HydrophobicContact CZ-CD1 3.95Å; F28-Y336 HydrophobicContact CZ-CE1 4.31Å
29L93.5Very high91.6Very high0 Ų018.1 Ų18.10%08%0.084CC..Hα-helixtrans-56.1-46.4178.8179.366000112G25 F26 Q32 F33 I123 T207 I211 F216 T219 C220G25-L29 VanDerWaalsContact O-CB 3.27Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3.02Å; F26-L29 HydrophobicContact CD1-CD2 4.4Å; F26-L29 HydrophobicContact CE1-CD2 4.4Å; F26-L29 PolarHBondContact O-N 2.92Å; L29-Q32 PolarHBondContact O-N 3.47Å; L29-F33 VanDerWaalsContact O-CB 3.27Å; L29-F33 WeakPolarHBondContact O-CB 3.45Å; L29-F33 PolarHBondContact O-N 3.18Å; L29-I123 HydrophobicContact CD2-CD1 3.96Å; L29-I123 HydrophobicContact CG-CD1 4.06Å; L29-T207 HydrophobicContact CB-CG2 4.26Å; L29-I211 HydrophobicContact CD1-CD1 3.7Å; L29-I211 HydrophobicContact CD1-CG1 3.82Å; L29-F216 HydrophobicContact CD1-CD1 3.76Å; L29-F216 HydrophobicContact CD1-CE1 4.49Å; L29-T219 HydrophobicContact CD1-CG2 3.98Å; L29-C220 HydrophobicContact CD2-CB 3.95Å
30T93.4Very high91.5Very high13 Ų1322.5 Ų22.58%0.0810%0.104CC..Hα-helixtrans-65.8-43.3-178.8-56.60000111.3F26 Q27 F28 Q32 F33 I34 L132F26-T30 VanDerWaalsContact O-CB 3.28Å; F26-T30 WeakPolarHBondContact O-CB 3.44Å; F26-T30 PolarHBondContact O-N 3.34Å; F26-T30 PolarHBondContact O-OG1 3.23Å; Q27-T30 PolarHBondContact O-N 3.24Å; F28-T30 VanDerWaalsContact C-N 3.34Å; F28-T30 PolarHBondContact O-N 3.08Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 3.2Å; T30-F33 PolarHBondContact O-N 2.88Å; T30-I34 HydrophobicContact CG2-CD1 4.01Å; T30-I34 WeakPolarHBondContact O-CD1 3.1Å; T30-I34 VanDerWaalsContact O-CG1 3.26Å; T30-I34 WeakPolarHBondContact O-CG1 3.17Å; T30-I34 PolarHBondContact O-N 3.35Å; T30-L132 HydrophobicContact CG2-CD1 3.91Å; T30-L132 HydrophobicContact CG2-CD2 4.29Å
31N92.4Very high91.3Very high20 Ų2025.8 Ų25.811%0.10712%0.122CC..Hα-helixtrans-60.9-44.5176.7-73.4-0.3000111.6Q27 F28 Y35 L74 F321Q27-N31 WeakPolarHBondContact O-CB 3.35Å; Q27-N31 VanDerWaalsContact O-CG 3.23Å; Q27-N31 PolarHBondContact O-N 3.44Å; Q27-N31 PolarHBondContact O-OD1 2.94Å; F28-N31 PolarHBondContact O-N 3.44Å; N31-Y35 PolarHBondContact O-N 2.85Å; N31-L74 HydrophobicContact CB-CD2 4.2Å; N31-F321 HydrophobicContact CB-CE1 4.5Å; N31-F321 HydrophobicContact CB-CZ 4.45Å
32Q91.2Very high91Very high2 Ų227 Ų271%0.00913%0.133CC..Hα-helixtrans-66.6-40.8176.9-63.9-54.4-27.500112.1F28 L29 T30 I34 Y35 Y36 I211 F216 V333F28-Q32 HydrophobicContact CD1-CG 3.97Å; F28-Q32 HydrophobicContact CE1-CG 3.68Å; F28-Q32 HydrophobicContact CZ-CG 4.14Å; F28-Q32 WeakPolarHBondContact O-CG 3.47Å; F28-Q32 PolarHBondContact O-N 3.47Å; L29-Q32 PolarHBondContact O-N 3.47Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 3.2Å; Q32-I34 PolarHBondContact O-N 3.47Å; Q32-Y35 PolarHBondContact O-N 2.99Å; Q32-Y36 WeakPolarHBondContact O-CB 3.43Å; Q32-Y36 PolarHBondContact O-N 3.42Å; Q32-I211 HydrophobicContact CB-CD1 4.24Å; Q32-I211 HydrophobicContact CG-CD1 4.37Å; Q32-F216 HydrophobicContact CB-CE1 3.99Å; Q32-V333 HydrophobicContact CG-CG1 3.9Å
33F92.9Very high90.7Very high5 Ų530.2 Ų30.22%0.02217%0.167CC..Hα-helixtrans-64.2-40178.5-178.5-100.9000112.5L29 T30 Y36 R37 V122 I123 L129 F216L29-F33 VanDerWaalsContact O-CB 3.27Å; L29-F33 WeakPolarHBondContact O-CB 3.45Å; L29-F33 PolarHBondContact O-N 3.18Å; T30-F33 PolarHBondContact O-N 2.88Å; F33-Y36 PolarHBondContact O-N 3.42Å; F33-R37 WeakPolarHBondContact O-CB 3.26Å; F33-R37 PolarHBondContact O-N 3.14Å; F33-V122 HydrophobicContact CE1-CG1 4.41Å; F33-I123 HydrophobicContact CB-CG1 4.5Å; F33-I123 HydrophobicContact CD1-CG1 3.89Å; F33-I123 HydrophobicContact CD2-CG1 4.33Å; F33-I123 HydrophobicContact CD2-CG2 4.26Å; F33-I123 HydrophobicContact CE1-CG1 4.15Å; F33-I123 HydrophobicContact CE2-CG2 4.26Å; F33-I123 HydrophobicContact CG-CG1 3.98Å; F33-I123 HydrophobicContact CZ-CG1 4.47Å; F33-L129 HydrophobicContact CD1-CD2 4.07Å; F33-L129 HydrophobicContact CE1-CD2 3.83Å; F33-F216 HydrophobicContact CB-CD1 3.97Å; F33-F216 HydrophobicContact CB-CE1 4.06Å; F33-F216 HydrophobicContact CD2-CB 4.13Å; F33-F216 AromaticContact CD2-CD1 3.92Å; F33-F216 HydrophobicContact CD2-CD1 3.92Å; F33-F216 HydrophobicContact CD2-CD2 4.43Å; F33-F216 HydrophobicContact CD2-CE1 4.48Å; F33-F216 AromaticContact CD2-CG 3.91Å; F33-F216 HydrophobicContact CD2-CG 3.91Å; F33-F216 HydrophobicContact CG-CD1 4.46Å
34I93.2Very high90.1Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-60.3-48.4175.6-70.4163.1000110.5T30 Q32 R37 F38 T70 L73 L74 L77 L129 L132T30-I34 HydrophobicContact CG2-CD1 4.01Å; T30-I34 WeakPolarHBondContact O-CD1 3.1Å; T30-I34 VanDerWaalsContact O-CG1 3.26Å; T30-I34 WeakPolarHBondContact O-CG1 3.17Å; T30-I34 PolarHBondContact O-N 3.35Å; Q32-I34 PolarHBondContact O-N 3.47Å; I34-R37 PolarHBondContact O-N 3.1Å; I34-F38 HydrophobicContact CG2-CD2 3.85Å; I34-F38 HydrophobicContact CG2-CE2 3.57Å; I34-F38 VanDerWaalsContact O-CD2 3.3Å; I34-F38 WeakPolarHBondContact O-CD2 3.43Å; I34-F38 PolarHBondContact O-N 3.49Å; I34-F38 VanDerWaalsContact O-N 3.15Å; I34-T70 HydrophobicContact CG2-CG2 4.2Å; I34-L73 HydrophobicContact CG2-CD2 3.93Å; I34-L74 HydrophobicContact CD1-CD1 4.46Å; I34-L74 HydrophobicContact CG2-CD1 4.11Å; I34-L77 HydrophobicContact CD1-CD1 3.45Å; I34-L77 VanDerWaalsContact CD1-CD1 3.45Å; I34-L129 HydrophobicContact CG1-CD2 4.32Å; I34-L132 HydrophobicContact CD1-CD1 4Å; I34-L132 HydrophobicContact CG1-CD1 3.97Å
35Y90.8Very high89.1Confident20 Ų2032.8 Ų32.88%0.07818%0.184CC..Hα-helixtrans-60.5-46.5178.1-176.4-108.7000111.3N31 Q32 R37 F38 L39 V66 Q67 T70 F321 L322 M325N31-Y35 PolarHBondContact O-N 2.85Å; Q32-Y35 PolarHBondContact O-N 2.99Å; Y35-R37 PolarHBondContact O-N 3.44Å; Y35-F38 PolarHBondContact O-N 3.16Å; Y35-L39 HydrophobicContact CD1-CD1 3.9Å; Y35-L39 HydrophobicContact CE1-CD1 3.53Å; Y35-L39 HydrophobicContact CE1-CG 4.18Å; Y35-L39 PolarHBondContact O-N 3.2Å; Y35-V66 HydrophobicContact CD2-CG1 3.98Å; Y35-V66 HydrophobicContact CE2-CG1 3.7Å; Y35-Q67 HydrophobicContact CE2-CG 4.14Å; Y35-T70 HydrophobicContact CD2-CG2 4.16Å; Y35-F321 HydrophobicContact CG-CE2 4.5Å; Y35-L322 HydrophobicContact CD2-CD2 3.92Å; Y35-L322 HydrophobicContact CE2-CD2 4.14Å; Y35-M325 HydrophobicContact CD1-SD 4.16Å; Y35-M325 HydrophobicContact CE1-SD 4.07Å
36Y88.7Confident87.6Confident56 Ų5635.2 Ų35.222%0.2219%0.194CC..Hα-helixtrans-58-44.7175.6170.6-99.2000112.9Q32 F33 F38 L39 K40 Y46 F216Q32-Y36 WeakPolarHBondContact O-CB 3.43Å; Q32-Y36 PolarHBondContact O-N 3.42Å; F33-Y36 PolarHBondContact O-N 3.42Å; Y36-F38 VanDerWaalsContact C-N 3.32Å; Y36-F38 PolarHBondContact O-N 3.23Å; Y36-L39 WeakPolarHBondContact O-CB 3.49Å; Y36-L39 PolarHBondContact O-N 3.21Å; Y36-K40 HydrophobicContact CE1-CD 4.38Å; Y36-K40 PolarHBondContact O-N 3.34Å; Y36-Y46 HydrophobicContact CD2-CD1 4.14Å; Y36-Y46 AromaticContact CD2-CD2 3.59Å; Y36-Y46 HydrophobicContact CD2-CD2 3.59Å; Y36-Y46 HydrophobicContact CD2-CE2 4.1Å; Y36-Y46 AromaticContact CD2-CG 3.58Å; Y36-Y46 HydrophobicContact CD2-CG 3.58Å; Y36-Y46 HydrophobicContact CE2-CD1 4.19Å; Y36-Y46 HydrophobicContact CE2-CD2 4.32Å; Y36-Y46 AromaticContact CE2-CG 3.83Å; Y36-Y46 HydrophobicContact CE2-CG 3.83Å; Y36-F216 HydrophobicContact CD1-CD2 4.23Å; Y36-F216 AromaticContact CD1-CE2 3.84Å; Y36-F216 HydrophobicContact CD1-CE2 3.84Å; Y36-F216 HydrophobicContact CD1-CZ 4.44Å; Y36-F216 AromaticContact CD2-CE2 3.84Å; Y36-F216 HydrophobicContact CD2-CE2 3.84Å; Y36-F216 HydrophobicContact CD2-CZ 4.4Å; Y36-F216 HydrophobicContact CE1-CD2 4.5Å; Y36-F216 HydrophobicContact CE1-CE2 4.36Å; Y36-F216 HydrophobicContact CE2-CE2 4.35Å; Y36-F216 HydrophobicContact CG-CD2 4.39Å; Y36-F216 AromaticContact CG-CE2 3.55Å; Y36-F216 HydrophobicContact CG-CE2 3.55Å; Y36-F216 AromaticContact CG-CZ 3.93Å; Y36-F216 HydrophobicContact CG-CZ 3.93Å
37R90.6Very high85.6Confident48 Ų4842.3 Ų42.318%0.18123%0.227CC..Hα-helixtrans-63.6-41-178.7-175.458.4170.2-149.7-4.8111.4F33 I34 Y35 K40 D41 E126 L129F33-R37 WeakPolarHBondContact O-CB 3.26Å; F33-R37 PolarHBondContact O-N 3.14Å; I34-R37 PolarHBondContact O-N 3.1Å; Y35-R37 PolarHBondContact O-N 3.44Å; R37-K40 WeakPolarHBondContact O-CB 3.31Å; R37-K40 PolarHBondContact O-N 2.79Å; R37-D41 IonicContact NE-OD1 3.54Å; R37-D41 VanDerWaalsContact O-CG 3.24Å; R37-D41 PolarHBondContact O-N 3.03Å; R37-E126 IonicContact CZ-OE2 3.02Å; R37-E126 IonicContact NH1-OE2 2.87Å; R37-E126 PolarHBondContact NH1-OE2 3.27Å; R37-E126 PolarHBondContact NH2-O 2.9Å; R37-L129 HydrophobicContact CB-CD1 4Å; R37-L129 HydrophobicContact CB-CD2 4.06Å; R37-L129 HydrophobicContact CB-CG 4.38Å; R37-L129 HydrophobicContact CG-CD1 3.81Å; R37-L129 HydrophobicContact CG-CD2 4.01Å; R37-L129 HydrophobicContact CG-CG 3.96Å
38F91.5Very high83.3Confident19 Ų1942.1 Ų42.18%0.08323%0.232CC..Hα-helixtrans-68.3-32.9174.9-71.1-47000113.3I34 Y35 Y36 D41 A42 V66 R69 T70 L73 L129I34-F38 HydrophobicContact CG2-CD2 3.85Å; I34-F38 HydrophobicContact CG2-CE2 3.57Å; I34-F38 VanDerWaalsContact O-CD2 3.3Å; I34-F38 WeakPolarHBondContact O-CD2 3.43Å; I34-F38 PolarHBondContact O-N 3.49Å; I34-F38 VanDerWaalsContact O-N 3.15Å; Y35-F38 PolarHBondContact O-N 3.16Å; Y36-F38 VanDerWaalsContact C-N 3.32Å; Y36-F38 PolarHBondContact O-N 3.23Å; F38-D41 PolarHBondContact O-N 3.44Å; F38-A42 WeakPolarHBondContact O-CB 3.38Å; F38-A42 PolarHBondContact O-N 3.38Å; F38-V66 HydrophobicContact CB-CG1 3.83Å; F38-V66 HydrophobicContact CB-CG2 4.46Å; F38-R69 HydrophobicContact CD1-CB 4.41Å; F38-R69 HydrophobicContact CD2-CB 4.2Å; F38-R69 HydrophobicContact CE1-CB 4.39Å; F38-R69 HydrophobicContact CE2-CB 4.16Å; F38-R69 HydrophobicContact CG-CB 4.31Å; F38-R69 HydrophobicContact CZ-CB 4.26Å; F38-T70 WeakPolarHBondContact CD2-OG1 3.44Å; F38-L73 HydrophobicContact CE2-CB 4.25Å; F38-L73 HydrophobicContact CE2-CD2 3.93Å; F38-L73 HydrophobicContact CZ-CB 4.4Å; F38-L73 HydrophobicContact CZ-CD2 3.77Å; F38-L129 HydrophobicContact CD1-CD1 4.34Å; F38-L129 HydrophobicContact CE1-CD1 3.88Å; F38-L129 HydrophobicContact CE2-CD1 4.17Å; F38-L129 HydrophobicContact CZ-CD1 3.81Å
39L88.4Confident80.7Confident12 Ų1243 Ų436%0.06324%0.24CC..Hα-helixtrans-62.1-45.7170.3-74172.5000111.6Y35 Y36 D41 A42 G43 L44 Y46 V66Y35-L39 HydrophobicContact CD1-CD1 3.9Å; Y35-L39 HydrophobicContact CE1-CD1 3.53Å; Y35-L39 HydrophobicContact CE1-CG 4.18Å; Y35-L39 PolarHBondContact O-N 3.2Å; Y36-L39 WeakPolarHBondContact O-CB 3.49Å; Y36-L39 PolarHBondContact O-N 3.21Å; L39-D41 VanDerWaalsContact C-N 3.32Å; L39-D41 PolarHBondContact O-N 3.41Å; L39-A42 CarbonylContact O-C 3.57Å; L39-A42 PolarHBondContact O-N 3.07Å; L39-A42 VanDerWaalsContact O-N 3.15Å; L39-G43 PolarHBondContact O-N 2.76Å; L39-L44 HydrophobicContact CD2-CB 4.09Å; L39-L44 HydrophobicContact CD2-CD1 3.88Å; L39-L44 PolarHBondContact O-N 3.06Å; L39-Y46 HydrophobicContact CD1-CD2 3.97Å; L39-V66 HydrophobicContact CD2-CB 4.34Å; L39-V66 HydrophobicContact CD2-CG1 3.85Å; L39-V66 HydrophobicContact CD2-CG2 4.28Å; L39-V66 HydrophobicContact CG-CG1 3.92Å
40K87.4Confident78.5Confident92 Ų9248.4 Ų48.440%0.428%0.276SS..Hα-helixtrans-59.4-43.4176.5-174178.6179.4175.80111.2Y36 R37 A42 G43 E126Y36-K40 HydrophobicContact CE1-CD 4.38Å; Y36-K40 PolarHBondContact O-N 3.34Å; R37-K40 WeakPolarHBondContact O-CB 3.31Å; R37-K40 PolarHBondContact O-N 2.79Å; K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 2.87Å; K40-G43 PolarHBondContact O-N 3.41Å; K40-G43 VanDerWaalsContact O-N 3.14Å; K40-E126 IonicContact NZ-OE1 3.88Å; K40-E126 IonicContact NZ-OE2 3.44Å; K40-E126 PolarHBondContact NZ-OE2 3.16Å
41D87.6Confident75.8Confident99 Ų9956 Ų5653%0.52931%0.31SS..Hα-helixtrans-67-29.5177.4-66.3-17.4000112.7R37 F38 L39 G43R37-D41 IonicContact NE-OD1 3.54Å; R37-D41 VanDerWaalsContact O-CG 3.24Å; R37-D41 PolarHBondContact O-N 3.03Å; F38-D41 PolarHBondContact O-N 3.44Å; L39-D41 VanDerWaalsContact C-N 3.32Å; L39-D41 PolarHBondContact O-N 3.41Å; D41-G43 VanDerWaalsContact C-N 3.29Å
42A86.9Confident73.4Confident45 Ų4560 Ų6037%0.37233%0.332SS..THydrogen-bonded Turntrans-81.7-3174.200000113.7F38 L39 K40 L44 V66F38-A42 WeakPolarHBondContact O-CB 3.38Å; F38-A42 PolarHBondContact O-N 3.38Å; L39-A42 CarbonylContact O-C 3.57Å; L39-A42 PolarHBondContact O-N 3.07Å; L39-A42 VanDerWaalsContact O-N 3.15Å; K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 2.87Å; A42-L44 HydrophobicContact CB-CD1 4.27Å; A42-L44 HydrophobicContact CB-CG 4.26Å; A42-L44 PolarHBondContact O-N 3.13Å; A42-V66 HydrophobicContact CB-CG2 3.66Å
43G82Confident71.2Confident68 Ų6869.1 Ų69.170%0.70137%0.371SS*.THydrogen-bonded Turntrans71.914.4-177.300000114.5L39 K40 D41L39-G43 PolarHBondContact O-N 2.76Å; K40-G43 PolarHBondContact O-N 3.41Å; K40-G43 VanDerWaalsContact O-N 3.14Å; D41-G43 VanDerWaalsContact C-N 3.29Å
44L79.6Confident69Low17 Ų1773.3 Ų73.39%0.08940%0.402CS..  trans-86.1140.1-178.8-69.2173.5000111.3L39 A42 D59 K63L39-L44 HydrophobicContact CD2-CB 4.09Å; L39-L44 HydrophobicContact CD2-CD1 3.88Å; L39-L44 PolarHBondContact O-N 3.06Å; A42-L44 HydrophobicContact CB-CD1 4.27Å; A42-L44 HydrophobicContact CB-CG 4.26Å; A42-L44 PolarHBondContact O-N 3.13Å; L44-D59 HydrophobicContact CD2-CB 3.86Å; L44-K63 HydrophobicContact CD1-CG 4.06Å
45P70.6Confident67Low73 Ų7376.3 Ų76.347%0.47442%0.417SS..  trans-67.9136.4172.928.6-33.1000110.2
46Y61.3Low65Low51 Ų5178.8 Ų78.820%0.244%0.436CS..  trans-83.4-40.2175.6172.1-103.1000112.5Y36 L39 P48 V333Y36-Y46 HydrophobicContact CD2-CD1 4.14Å; Y36-Y46 AromaticContact CD2-CD2 3.59Å; Y36-Y46 HydrophobicContact CD2-CD2 3.59Å; Y36-Y46 HydrophobicContact CD2-CE2 4.1Å; Y36-Y46 AromaticContact CD2-CG 3.58Å; Y36-Y46 HydrophobicContact CD2-CG 3.58Å; Y36-Y46 HydrophobicContact CE2-CD1 4.19Å; Y36-Y46 HydrophobicContact CE2-CD2 4.32Å; Y36-Y46 AromaticContact CE2-CG 3.83Å; Y36-Y46 HydrophobicContact CE2-CG 3.83Å; L39-Y46 HydrophobicContact CD1-CD2 3.97Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; Y46-P48 VanDerWaalsContact O-N 3.17Å; Y46-V333 HydrophobicContact CE2-CG2 3.89Å; Y46-V333 WeakPolarHBondContact OH-CB 3.31Å; Y46-V333 WeakPolarHBondContact OH-CG2 3.48Å
47E51Low63.4Low153 Ų15383.4 Ų83.472%0.71546%0.464SS*.  trans-66.3114.7-172.5-72.1-178.7-173.600111S49E47-S49 PolarHBondContact O-N 3.23Å
48P44.2Very low61.8Low73 Ų7389.6 Ų89.647%0.47450%0.495SS..  trans-74.679.3156.431.7-23.6000106Y46Y46-P48 WeakPolarHBondContact O-CD 3.39Å; Y46-P48 VanDerWaalsContact O-N 3.17Å
49S38Very low60.8Low36 Ų3691.1 Ų91.125%0.25250%0.504SS..  trans-50.4136.2163.4166.10000107.4E47 Q51 N52E47-S49 PolarHBondContact O-N 3.23Å; S49-Q51 PolarHBondContact O-N 3.4Å; S49-Q51 PolarHBondContact OG-N 3.18Å; S49-N52 PolarHBondContact O-N 3.43Å
50P45.8Very low60.1Low114 Ų11496.1 Ų96.174%0.7453%0.525SS*.THydrogen-bonded Turntrans-56.7-14.9174.721.1-31.4000112.8
51Q38.7Very low59.7Low172 Ų17299.6 Ų99.680%0.80454%0.543SS*.THydrogen-bonded Turntrans-91.8-20.5174.3-64.8179.1-9.200113.9S49 K53S49-Q51 PolarHBondContact O-N 3.4Å; S49-Q51 PolarHBondContact OG-N 3.18Å; Q51-K53 VanDerWaalsContact C-N 3.32Å; Q51-K53 PolarHBondContact O-N 3.31Å; Q51-K53 VanDerWaalsContact O-N 3.17Å
52N41.9Very low59.5Low104 Ų10496.3 Ų96.356%0.55653%0.527SS*.  trans-89.967.2172.7-78.1-8.8000110.1S49 S54S49-N52 PolarHBondContact O-N 3.43Å; N52-S54 PolarHBondContact O-N 3.39Å
53K44.9Very low59.1Low194 Ų19495.8 Ų95.884%0.84352%0.517SS*.  trans-66.63.1-174.7-84-174.4176.31780116.4Q51Q51-K53 VanDerWaalsContact C-N 3.32Å; Q51-K53 PolarHBondContact O-N 3.31Å; Q51-K53 VanDerWaalsContact O-N 3.17Å
54S46.4Very low59.1Low94 Ų9494.3 Ų94.366%0.65749%0.493SS*.  trans-172.5115.5169.547.30000107N52N52-S54 PolarHBondContact O-N 3.39Å
55I50.8Low59.3Low62 Ų6297.8 Ų97.832%0.31851%0.509SS..  trans-55.1125156.8-61.8163.7000105.4D59 K63I55-D59 HydrophobicContact CG2-CB 3.85Å; I55-D59 VanDerWaalsContact CG2-OD2 3.29Å; I55-D59 WeakPolarHBondContact CG2-OD2 3.4Å; I55-K63 VanDerWaalsContact CD1-CE 3.45Å
56P49.1Very low60.1Low73 Ų7394.4 Ų94.447%0.47449%0.487SS..  trans-54149.8-174.1-23.631.8000112.1Q58 D59P56-Q58 HydrophobicContact CB-CB 4.33Å; P56-Q58 PolarHBondContact O-N 3.08Å; P56-D59 PolarHBondContact O-N 2.76Å; P56-D59 VanDerWaalsContact O-N 3.07Å
57D55.2Low61.2Low153 Ų15392.2 Ų92.282%0.81848%0.478SS*.G310 helixtrans-54-16.8172.9-90.5-31.3000113.4D59 K60D57-D59 PolarHBondContact O-N 3.49Å; D57-K60 WeakPolarHBondContact O-CB 3.47Å; D57-K60 PolarHBondContact O-N 3.32Å
58Q56.9Low62.7Low178 Ų17890.3 Ų90.383%0.83247%0.468SS*.G310 helixtrans-58.6-25.1174.7-71.5-177.3-21.300113.4P56P56-Q58 HydrophobicContact CB-CB 4.33Å; P56-Q58 PolarHBondContact O-N 3.08Å
59D69.9Low64.8Low51 Ų5192.9 Ų92.927%0.27347%0.468SS..G310 helixtrans-99.715.8-179.3-61.8-35.9000113.3L44 I55 P56 D57 E61 S62 K63L44-D59 HydrophobicContact CD2-CB 3.86Å; I55-D59 HydrophobicContact CG2-CB 3.85Å; I55-D59 VanDerWaalsContact CG2-OD2 3.29Å; I55-D59 WeakPolarHBondContact CG2-OD2 3.4Å; P56-D59 PolarHBondContact O-N 2.76Å; P56-D59 VanDerWaalsContact O-N 3.07Å; D57-D59 PolarHBondContact O-N 3.49Å; D59-E61 VanDerWaalsContact C-N 3.35Å; D59-E61 PolarHBondContact O-N 3.35Å; D59-S62 PolarHBondContact O-N 2.92Å; D59-S62 PolarHBondContact O-OG 2.94Å; D59-K63 WeakPolarHBondContact O-CB 3.19Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3.18Å
60K74.3Confident67.3Low116 Ų11691.2 Ų91.250%0.50446%0.456SS..Hα-helixtrans-61.3-43.4-178.2-173.5176.9178.5-178.50112.1D57 K63 D64D57-K60 WeakPolarHBondContact O-CB 3.47Å; D57-K60 PolarHBondContact O-N 3.32Å; K60-K63 PolarHBondContact O-N 3.43Å; K60-D64 WeakPolarHBondContact O-CB 3.45Å; K60-D64 VanDerWaalsContact O-CG 3.22Å; K60-D64 PolarHBondContact O-N 3.38Å
61E79Confident69.1Low166 Ų16685.9 Ų85.978%0.77642%0.422SS*.Hα-helixtrans-65.1-43.6-179.3-173.3174.7-173.400112.1D59 D64 E65D59-E61 VanDerWaalsContact C-N 3.35Å; D59-E61 PolarHBondContact O-N 3.35Å; E61-D64 PolarHBondContact O-N 2.85Å; E61-E65 WeakPolarHBondContact O-CB 3.44Å; E61-E65 PolarHBondContact O-N 3.44Å
62S82.5Confident71.4Confident29 Ų2982 Ų8220%0.20340%0.404CS..Hα-helixtrans-66.8-37.3177.8560000111.9D59 E65 V66D59-S62 PolarHBondContact O-N 2.92Å; D59-S62 PolarHBondContact O-OG 2.94Å; S62-E65 PolarHBondContact O-N 3.44Å; S62-V66 WeakPolarHBondContact O-CG2 3.39Å; S62-V66 PolarHBondContact O-N 3.3Å
63K78.8Confident73.7Confident35 Ų3577.5 Ų77.515%0.15238%0.379CS..Hα-helixtrans-64.1-45.9172-77-179.2173.9-172.50112.9L44 I55 D59 K60 E65 V66 Q67L44-K63 HydrophobicContact CD1-CG 4.06Å; I55-K63 VanDerWaalsContact CD1-CE 3.45Å; D59-K63 WeakPolarHBondContact O-CB 3.19Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3.18Å; K60-K63 PolarHBondContact O-N 3.43Å; K63-E65 PolarHBondContact O-N 3.44Å; K63-V66 PolarHBondContact O-N 3.03Å; K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.02Å
64D81.5Confident75.9Confident37 Ų3768.4 Ų68.420%0.19834%0.34CS..Hα-helixtrans-61.9-37.9178-72.3-12.7000110.2K60 E61 K68K60-D64 WeakPolarHBondContact O-CB 3.45Å; K60-D64 VanDerWaalsContact O-CG 3.22Å; K60-D64 PolarHBondContact O-N 3.38Å; E61-D64 PolarHBondContact O-N 2.85Å; D64-K68 VanDerWaalsContact O-CB 3.27Å; D64-K68 WeakPolarHBondContact O-CB 3.22Å; D64-K68 PolarHBondContact O-N 2.96Å
65E84.4Confident78Confident89 Ų8964.7 Ų64.742%0.41631%0.313SS..Hα-helixtrans-63.5-46.7173.7-172.5178.9-178.100112.3E61 S62 K63 Q67 K68 R69E61-E65 WeakPolarHBondContact O-CB 3.44Å; E61-E65 PolarHBondContact O-N 3.44Å; S62-E65 PolarHBondContact O-N 3.44Å; K63-E65 PolarHBondContact O-N 3.44Å; E65-Q67 PolarHBondContact O-N 2.7Å; E65-K68 PolarHBondContact O-N 2.77Å; E65-R69 HydrophobicContact CG-CG 4.42Å; E65-R69 WeakPolarHBondContact O-CG 3.45Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.98Å; E65-R69 IonicContact OE1-NE 2.87Å; E65-R69 PolarHBondContact OE1-NE 3.47Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å
66V87.5Confident79.9Confident3 Ų365.8 Ų65.82%0.01832%0.32CS..Hα-helixtrans-61.9-43.9178.1169.10000111.3Y35 F38 L39 A42 S62 K63 K68 R69 T70Y35-V66 HydrophobicContact CD2-CG1 3.98Å; Y35-V66 HydrophobicContact CE2-CG1 3.7Å; F38-V66 HydrophobicContact CB-CG1 3.83Å; F38-V66 HydrophobicContact CB-CG2 4.46Å; L39-V66 HydrophobicContact CD2-CB 4.34Å; L39-V66 HydrophobicContact CD2-CG1 3.85Å; L39-V66 HydrophobicContact CD2-CG2 4.28Å; L39-V66 HydrophobicContact CG-CG1 3.92Å; A42-V66 HydrophobicContact CB-CG2 3.66Å; S62-V66 WeakPolarHBondContact O-CG2 3.39Å; S62-V66 PolarHBondContact O-N 3.3Å; K63-V66 PolarHBondContact O-N 3.03Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 3.15Å; V66-R69 PolarHBondContact O-N 3.33Å; V66-T70 WeakPolarHBondContact O-CB 3.21Å; V66-T70 PolarHBondContact O-N 2.78Å; V66-T70 PolarHBondContact O-OG1 3.47Å
67Q84.6Confident82Confident5 Ų562.8 Ų62.82%0.02330%0.299CS..Hα-helixtrans-60.4-43.5174.8-72.6-171.69.200111.5Y35 K63 E65 T70 A71 Y511Y35-Q67 HydrophobicContact CE2-CG 4.14Å; K63-Q67 WeakPolarHBondContact O-CG 3.38Å; K63-Q67 PolarHBondContact O-N 3.02Å; E65-Q67 PolarHBondContact O-N 2.7Å; Q67-T70 PolarHBondContact O-N 3.34Å; Q67-A71 VanDerWaalsContact O-CB 3.28Å; Q67-A71 WeakPolarHBondContact O-CB 3.33Å; Q67-A71 PolarHBondContact O-N 3.44Å; Q67-Y511 PolarHBondContact OE1-OH 2.81Å
68K82.6Confident83.8Confident113 Ų11356.2 Ų56.249%0.49127%0.266SS..Hα-helixtrans-63.4-48.1178.3-176.6177.1178.9-176.70111.9D64 E65 V66 T70 A71 H72D64-K68 VanDerWaalsContact O-CB 3.27Å; D64-K68 WeakPolarHBondContact O-CB 3.22Å; D64-K68 PolarHBondContact O-N 2.96Å; E65-K68 PolarHBondContact O-N 2.77Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 3.15Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.95Å; K68-A71 PolarHBondContact O-N 3.28Å; K68-H72 PolarHBondContact O-CD2 3.27Å; K68-H72 PolarHBondContact O-N 3.45Å
69R87.5Confident85.4Confident127 Ų12749 Ų4948%0.47924%0.237SC..Hα-helixtrans-59.9-42.4177.3-72.4-177.2-178.7-156.33.2111.6F38 E65 V66 H72 L73F38-R69 HydrophobicContact CD1-CB 4.41Å; F38-R69 HydrophobicContact CD2-CB 4.2Å; F38-R69 HydrophobicContact CE1-CB 4.39Å; F38-R69 HydrophobicContact CE2-CB 4.16Å; F38-R69 HydrophobicContact CG-CB 4.31Å; F38-R69 HydrophobicContact CZ-CB 4.26Å; E65-R69 HydrophobicContact CG-CG 4.42Å; E65-R69 WeakPolarHBondContact O-CG 3.45Å; E65-R69 PolarHBondContact O-N 2.99Å; E65-R69 IonicContact OE1-CZ 3.98Å; E65-R69 IonicContact OE1-NE 2.87Å; E65-R69 PolarHBondContact OE1-NE 3.47Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å; V66-R69 PolarHBondContact O-N 3.33Å; R69-H72 PolarHBondContact O-N 3.45Å; R69-L73 PolarHBondContact O-N 2.84Å
70T90.2Very high86.6Confident0 Ų047.2 Ų47.20%023%0.229CC..Hα-helixtrans-60.8-51.7174.7-54.80000110.6I34 Y35 F38 V66 Q67 K68 H72 L73 L74 F321 L322I34-T70 HydrophobicContact CG2-CG2 4.2Å; Y35-T70 HydrophobicContact CD2-CG2 4.16Å; F38-T70 WeakPolarHBondContact CD2-OG1 3.44Å; V66-T70 WeakPolarHBondContact O-CB 3.21Å; V66-T70 PolarHBondContact O-N 2.78Å; V66-T70 PolarHBondContact O-OG1 3.47Å; Q67-T70 PolarHBondContact O-N 3.34Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.95Å; T70-H72 PolarHBondContact O-N 2.85Å; T70-H72 VanDerWaalsContact O-N 3.13Å; T70-L73 PolarHBondContact O-N 2.99Å; T70-L73 VanDerWaalsContact O-N 3.08Å; T70-L74 HydrophobicContact CG2-CD1 3.29Å; T70-L74 WeakPolarHBondContact O-CD1 3.49Å; T70-L74 PolarHBondContact O-N 3.23Å; T70-L74 VanDerWaalsContact O-N 3.09Å; T70-F321 HydrophobicContact CG2-CZ 4Å; T70-L322 HydrophobicContact CG2-CD1 4.38Å; T70-L322 HydrophobicContact CG2-CD2 3.82Å
71A85.2Confident87.5Confident3 Ų342.7 Ų42.73%0.02521%0.21CC..Hα-helixtrans-62-20.5178.700000114.2Q67 K68 P75 L322 A512Q67-A71 VanDerWaalsContact O-CB 3.28Å; Q67-A71 WeakPolarHBondContact O-CB 3.33Å; Q67-A71 PolarHBondContact O-N 3.44Å; K68-A71 PolarHBondContact O-N 3.28Å; A71-P75 WeakPolarHBondContact O-CD 3.21Å; A71-P75 WeakPolarHBondContact O-CG 3.4Å; A71-L322 HydrophobicContact CB-CD1 3.89Å; A71-A512 HydrophobicContact CB-CB 3.89Å
72H86.3Confident88.2Confident91 Ų9135 Ų3542%0.42117%0.174SC..Hα-helixtrans-84.1-38.9171.4-83.8-72.1000113.3K68 R69 T70K68-H72 PolarHBondContact O-CD2 3.27Å; K68-H72 PolarHBondContact O-N 3.45Å; R69-H72 PolarHBondContact O-N 3.45Å; T70-H72 PolarHBondContact O-N 2.85Å; T70-H72 VanDerWaalsContact O-N 3.13Å
73L90.9Very high88.7Confident8 Ų838.7 Ų38.74%0.04219%0.19CC..Hα-helixtrans-75-40.2-176.6-176.458.6000112.8I34 F38 R69 T70 L76 L77 L129 Y130I34-L73 HydrophobicContact CG2-CD2 3.93Å; F38-L73 HydrophobicContact CE2-CB 4.25Å; F38-L73 HydrophobicContact CE2-CD2 3.93Å; F38-L73 HydrophobicContact CZ-CB 4.4Å; F38-L73 HydrophobicContact CZ-CD2 3.77Å; R69-L73 PolarHBondContact O-N 2.84Å; T70-L73 PolarHBondContact O-N 2.99Å; T70-L73 VanDerWaalsContact O-N 3.08Å; L73-L76 HydrophobicContact CD1-CD2 4.27Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.3Å; L73-L76 VanDerWaalsContact O-N 3.13Å; L73-L77 HydrophobicContact CD1-CD2 4.43Å; L73-L77 HydrophobicContact CD1-CG 4.17Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.48Å; L73-L129 HydrophobicContact CD2-CB 4.01Å; L73-L129 HydrophobicContact CD2-CD1 4.1Å; L73-Y130 HydrophobicContact CD1-CD1 4.27Å; L73-Y130 HydrophobicContact CD1-CE1 4.21Å
74L91.2Very high89.4Confident3 Ų337.7 Ų37.72%0.01619%0.188CC..Hα-helixtrans-59.1-46.3-178.6-82.983.6000113.1N31 I34 T70 L76 L77 S78 F321N31-L74 HydrophobicContact CB-CD2 4.2Å; I34-L74 HydrophobicContact CD1-CD1 4.46Å; I34-L74 HydrophobicContact CG2-CD1 4.11Å; T70-L74 HydrophobicContact CG2-CD1 3.29Å; T70-L74 WeakPolarHBondContact O-CD1 3.49Å; T70-L74 PolarHBondContact O-N 3.23Å; T70-L74 VanDerWaalsContact O-N 3.09Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.5Å; L74-L77 PolarHBondContact O-N 3.4Å; L74-S78 WeakPolarHBondContact O-CB 3.31Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 PolarHBondContact O-OG 2.94Å; L74-F321 HydrophobicContact CD2-CE1 3.67Å; L74-F321 HydrophobicContact CD2-CZ 3.92Å
75P89.1Confident90Very high16 Ų1636 Ų3610%0.10418%0.178CC..Hα-helixtrans-61.3-38.2173.4-28.338.3000113.2A71 S78 A79 I504 P508A71-P75 WeakPolarHBondContact O-CD 3.21Å; A71-P75 WeakPolarHBondContact O-CG 3.4Å; P75-S78 PolarHBondContact O-N 3.41Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.23Å; P75-A79 PolarHBondContact O-N 2.92Å; P75-I504 WeakPolarHBondContact CB-O 3.42Å; P75-I504 WeakPolarHBondContact CG-O 3.32Å; P75-P508 HydrophobicContact CG-CB 3.73Å; P75-P508 HydrophobicContact CG-CG 4.08Å
76L91.8Very high90.2Very high86 Ų8633.6 Ų33.645%0.4517%0.169SC..Hα-helixtrans-63.5-46.1178.5178.763.3000111.4L73 L74 S78 A79 A80 I133L73-L76 HydrophobicContact CD1-CD2 4.27Å; L73-L76 WeakPolarHBondContact O-CB 3.32Å; L73-L76 PolarHBondContact O-N 3.3Å; L73-L76 VanDerWaalsContact O-N 3.13Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L76 PolarHBondContact O-N 3.5Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3.42Å; L76-A79 PolarHBondContact O-N 3.4Å; L76-A80 WeakPolarHBondContact O-CB 3.42Å; L76-A80 PolarHBondContact O-N 3.44Å; L76-I133 HydrophobicContact CD2-CD1 4.01Å; L76-I133 HydrophobicContact CG-CD1 4.4Å
77L93.4Very high90.3Very high9 Ų939.2 Ų39.25%0.04720%0.198CC..Hα-helixtrans-59.8-42.6175-67.4177.5000111.6I34 L73 L74 A80 L81 L132 I133 N136I34-L77 HydrophobicContact CD1-CD1 3.45Å; I34-L77 VanDerWaalsContact CD1-CD1 3.45Å; L73-L77 HydrophobicContact CD1-CD2 4.43Å; L73-L77 HydrophobicContact CD1-CG 4.17Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 HydrophobicContact CG-CG 4.23Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.48Å; L74-L77 PolarHBondContact O-N 3.4Å; L77-A80 WeakPolarHBondContact O-CB 3.43Å; L77-A80 PolarHBondContact O-N 2.93Å; L77-L81 PolarHBondContact O-N 3.23Å; L77-L81 VanDerWaalsContact O-N 3.1Å; L77-L132 HydrophobicContact CD1-CB 4.15Å; L77-L132 HydrophobicContact CD1-CD1 4.14Å; L77-L132 HydrophobicContact CD2-CB 3.56Å; L77-I133 HydrophobicContact CD2-CB 4.36Å; L77-I133 HydrophobicContact CD2-CG1 3.58Å; L77-N136 WeakPolarHBondContact O-CB 3.28Å
78S91.7Very high90.5Very high16 Ų1639.3 Ų39.311%0.11220%0.199CC..Hα-helixtrans-70.5-36.8179.6-57.20000112.6L74 P75 L76 A80 L81 L82 I504L74-S78 WeakPolarHBondContact O-CB 3.31Å; L74-S78 PolarHBondContact O-N 2.99Å; L74-S78 PolarHBondContact O-OG 2.94Å; P75-S78 PolarHBondContact O-N 3.41Å; L76-S78 VanDerWaalsContact C-N 3.29Å; L76-S78 PolarHBondContact O-N 3.42Å; S78-A80 VanDerWaalsContact C-N 3.33Å; S78-L81 PolarHBondContact O-N 3.06Å; S78-L82 VanDerWaalsContact O-CB 3.29Å; S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 WeakPolarHBondContact O-CG 3.42Å; S78-L82 PolarHBondContact O-N 3.01Å; S78-I504 VanDerWaalsContact CB-CG1 3.44Å; S78-I504 WeakPolarHBondContact OG-CD1 3.27Å
79A91.6Very high90.7Very high27 Ų2734.5 Ų34.522%0.22318%0.18CC..Hα-helixtrans-65.4-39173.100000111.2P75 L76 L81 L82 I83P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.23Å; P75-A79 PolarHBondContact O-N 2.92Å; L76-A79 PolarHBondContact O-N 3.4Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.41Å; A79-L82 PolarHBondContact O-N 3.36Å; A79-I83 HydrophobicContact CB-CD1 4.14Å; A79-I83 WeakPolarHBondContact O-CB 3.46Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 3.15Å
80A93.7Very high90.5Very high13 Ų1332.2 Ų32.211%0.10717%0.173CC..Hα-helixtrans-62.8-30.9174.100000112.9L76 L77 S78 P84 I133 N136 L137L76-A80 WeakPolarHBondContact O-CB 3.42Å; L76-A80 PolarHBondContact O-N 3.44Å; L77-A80 WeakPolarHBondContact O-CB 3.43Å; L77-A80 PolarHBondContact O-N 2.93Å; S78-A80 VanDerWaalsContact C-N 3.33Å; A80-P84 WeakPolarHBondContact O-CD 3.2Å; A80-P84 WeakPolarHBondContact O-CG 3.45Å; A80-I133 HydrophobicContact CB-CG2 3.88Å; A80-N136 HydrophobicContact CB-CB 4.18Å; A80-L137 HydrophobicContact CB-CD2 4.18Å; A80-L137 HydrophobicContact CB-CG 4.19Å; A80-L137 WeakPolarHBondContact O-CD2 3.19Å
81L94.5Very high90.2Very high20 Ų2035.3 Ų35.311%0.10519%0.192CC..Hα-helixtrans-76.3-50.1169.917361.4000111.4W23 L77 S78 A79 G85 N136 C139 G140W23-L81 HydrophobicContact CZ2-CD2 4.22Å; L77-L81 PolarHBondContact O-N 3.23Å; L77-L81 VanDerWaalsContact O-N 3.1Å; S78-L81 PolarHBondContact O-N 3.06Å; A79-L81 VanDerWaalsContact C-N 3.26Å; A79-L81 PolarHBondContact O-N 3.41Å; L81-G85 PolarHBondContact O-N 3.45Å; L81-G85 VanDerWaalsContact O-N 3.1Å; L81-N136 WeakPolarHBondContact CA-O 3.43Å; L81-N136 HydrophobicContact CB-CB 3.99Å; L81-C139 HydrophobicContact CD1-CB 3.68Å; L81-C139 VanDerWaalsContact CD1-SG 3.55Å; L81-G140 VanDerWaalsContact O-CA 3.28Å; L81-G140 WeakPolarHBondContact O-CA 3.41Å
82L94Very high90.3Very high5 Ų535.4 Ų35.43%0.02619%0.192CC..Hα-helixtrans-76.9-40-164.8-67.1175.4000112.8S78 A79 G85 L86 Y497 L500 L501 I504S78-L82 VanDerWaalsContact O-CB 3.29Å; S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 WeakPolarHBondContact O-CG 3.42Å; S78-L82 PolarHBondContact O-N 3.01Å; A79-L82 PolarHBondContact O-N 3.36Å; L82-G85 CarbonylContact O-C 3.5Å; L82-G85 PolarHBondContact O-N 3.45Å; L82-L86 PolarHBondContact O-N 3.02Å; L82-Y497 VanDerWaalsContact CA-OH 3.25Å; L82-Y497 WeakPolarHBondContact CA-OH 3.35Å; L82-Y497 HydrophobicContact CB-CE1 4.11Å; L82-Y497 HydrophobicContact CD2-CE1 3.91Å; L82-Y497 HydrophobicContact CD2-CE2 3.94Å; L82-Y497 WeakPolarHBondContact CD2-OH 3.4Å; L82-Y497 WeakPolarHBondContact O-CE1 3.38Å; L82-Y497 PolarHBondContact O-OH 2.87Å; L82-L500 HydrophobicContact CD1-CB 4.39Å; L82-L500 HydrophobicContact CD1-CD2 3.98Å; L82-L500 HydrophobicContact CD1-CG 3.85Å; L82-L500 HydrophobicContact CD2-CD2 3.78Å; L82-L500 HydrophobicContact CD2-CG 4.49Å; L82-L501 HydrophobicContact CB-CB 4.41Å; L82-L501 HydrophobicContact CB-CD1 3.64Å; L82-L501 HydrophobicContact CD1-CB 4.32Å; L82-L501 HydrophobicContact CD1-CD1 4.42Å; L82-I504 HydrophobicContact CD1-CG2 3.87Å
83I93Very high90Very high106 Ų10632 Ų3254%0.54418%0.179SC..Hα-helixtrans-62.8-53.5-177.4-64.2168.2000111.6A79 G85 L86 L501A79-I83 HydrophobicContact CB-CD1 4.14Å; A79-I83 WeakPolarHBondContact O-CB 3.46Å; A79-I83 WeakPolarHBondContact O-CG1 3.31Å; A79-I83 PolarHBondContact O-N 3.15Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 2.92Å; I83-L86 PolarHBondContact O-N 3.41Å; I83-L501 HydrophobicContact CG1-CD1 3.81Å
84P93.2Very high89.5Confident15 Ų1533 Ų3310%0.09719%0.187CC..Hα-helixtrans-64.8-34.9173.6-17.832.2000111.6A80 L86 L87 S88 L137 F141A80-P84 WeakPolarHBondContact O-CD 3.2Å; A80-P84 WeakPolarHBondContact O-CG 3.45Å; P84-L86 VanDerWaalsContact C-N 3.28Å; P84-L86 PolarHBondContact O-N 3.26Å; P84-L87 WeakPolarHBondContact O-CB 3.47Å; P84-L87 PolarHBondContact O-N 2.97Å; P84-L87 VanDerWaalsContact O-N 3.12Å; P84-S88 PolarHBondContact O-N 2.92Å; P84-S88 PolarHBondContact O-OG 2.95Å; P84-L137 HydrophobicContact CG-CD2 3.89Å; P84-F141 HydrophobicContact CB-CD1 4.02Å; P84-F141 HydrophobicContact CB-CD2 4.27Å; P84-F141 HydrophobicContact CB-CE1 3.96Å; P84-F141 HydrophobicContact CB-CE2 4.21Å; P84-F141 HydrophobicContact CB-CG 4.17Å; P84-F141 HydrophobicContact CB-CZ 4.06Å; P84-F141 HydrophobicContact CG-CE2 4.37Å; P84-F141 HydrophobicContact CG-CZ 4.37Å
85G92.8Very high89.1Confident0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-63.1-29.6178.100000114.6L81 L82 I83 S88 S89 G140 G144 Y497L81-G85 PolarHBondContact O-N 3.45Å; L81-G85 VanDerWaalsContact O-N 3.1Å; L82-G85 CarbonylContact O-C 3.5Å; L82-G85 PolarHBondContact O-N 3.45Å; I83-G85 VanDerWaalsContact C-N 3.26Å; I83-G85 PolarHBondContact O-N 2.92Å; G85-S88 VanDerWaalsContact CA-OG 3.28Å; G85-S88 WeakPolarHBondContact CA-OG 3.22Å; G85-S88 PolarHBondContact O-OG 2.93Å; G85-S89 WeakPolarHBondContact O-CB 3.38Å; G85-S89 PolarHBondContact O-N 3.36Å; G85-G140 VanDerWaalsContact CA-O 3.26Å; G85-G140 WeakPolarHBondContact CA-O 3.43Å; G85-G140 PolarHBondContact N-O 3.35Å; G85-G144 VanDerWaalsContact CA-CA 3.47Å; G85-Y497 WeakPolarHBondContact CA-OH 3.35Å
86L90.3Very high88.9Confident40 Ų4034.2 Ų34.221%0.20919%0.192CC..Hα-helixtrans-64.8-44.8172.4-176.868.3000110.1L82 I83 P84 S89 F90 L494 Y497 L498 L501L82-L86 PolarHBondContact O-N 3.02Å; I83-L86 PolarHBondContact O-N 3.41Å; P84-L86 VanDerWaalsContact C-N 3.28Å; P84-L86 PolarHBondContact O-N 3.26Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 3.4Å; L86-F90 VanDerWaalsContact O-CD2 3.27Å; L86-F90 WeakPolarHBondContact O-CD2 3.49Å; L86-L494 HydrophobicContact CD1-CD1 3.46Å; L86-L494 VanDerWaalsContact CD1-CD1 3.46Å; L86-Y497 HydrophobicContact CB-CD1 4.18Å; L86-Y497 HydrophobicContact CB-CE1 3.84Å; L86-Y497 HydrophobicContact CD1-CD1 3.77Å; L86-Y497 HydrophobicContact CD1-CE1 4.3Å; L86-Y497 PolarHBondContact N-OH 2.96Å; L86-L498 HydrophobicContact CD1-CD2 3.99Å; L86-L498 HydrophobicContact CD1-CG 4.32Å; L86-L498 HydrophobicContact CD2-CD2 3.95Å; L86-L501 HydrophobicContact CD2-CD2 4.43Å
87L88.4Confident88Confident121 Ų12132.1 Ų32.163%0.63418%0.181SC*.Hα-helixtrans-66.9-43.9178.5-176.160.3000111.5P84 S89 F90P84-L87 WeakPolarHBondContact O-CB 3.47Å; P84-L87 PolarHBondContact O-N 2.97Å; P84-L87 VanDerWaalsContact O-N 3.12Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.46Å; L87-F90 PolarHBondContact O-N 3.31Å
88S89.1Confident87Confident7 Ų737.7 Ų37.75%0.04921%0.207CC..Hα-helixtrans-71.4-21.8176.6660000112.8P84 G85 F90 T91 I92 G140 F141 G143P84-S88 PolarHBondContact O-N 2.92Å; P84-S88 PolarHBondContact O-OG 2.95Å; G85-S88 VanDerWaalsContact CA-OG 3.28Å; G85-S88 WeakPolarHBondContact CA-OG 3.22Å; G85-S88 PolarHBondContact O-OG 2.93Å; S88-F90 VanDerWaalsContact C-N 3.26Å; S88-F90 PolarHBondContact O-N 2.73Å; S88-T91 WeakPolarHBondContact CA-OG1 3.38Å; S88-T91 PolarHBondContact O-N 2.64Å; S88-T91 VanDerWaalsContact O-N 3.11Å; S88-T91 PolarHBondContact O-OG1 3.18Å; S88-I92 WeakPolarHBondContact O-CB 3.5Å; S88-I92 VanDerWaalsContact O-CG1 3.29Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.06Å; S88-G140 WeakPolarHBondContact CB-O 3.13Å; S88-G140 PolarHBondContact OG-O 3.15Å; S88-F141 VanDerWaalsContact CB-O 3.28Å; S88-F141 WeakPolarHBondContact CB-O 3.21Å; S88-G143 WeakPolarHBondContact OG-CA 3.18Å; S88-G143 PolarHBondContact OG-N 3.47Å
89S86.6Confident86.4Confident12 Ų1243.9 Ų43.98%0.08423%0.229CC..Hα-helixtrans-61.4-33.7174.577.80000113.1G85 L86 L87 S93G85-S89 WeakPolarHBondContact O-CB 3.38Å; G85-S89 PolarHBondContact O-N 3.36Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 3.4Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.46Å; S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 2.83Å; S89-S93 PolarHBondContact O-OG 3.27Å
90F83.6Confident86Confident78 Ų7842.7 Ų42.734%0.34222%0.219SC..Hα-helixtrans-68.6-41.3173.4-67.4-74.6000111.4L86 L87 S88 S93 S94 L494L86-F90 VanDerWaalsContact O-CD2 3.27Å; L86-F90 WeakPolarHBondContact O-CD2 3.49Å; L87-F90 PolarHBondContact O-N 3.31Å; S88-F90 VanDerWaalsContact C-N 3.26Å; S88-F90 PolarHBondContact O-N 2.73Å; F90-S93 PolarHBondContact O-N 3.13Å; F90-S94 PolarHBondContact O-N 3.42Å; F90-S94 PolarHBondContact O-OG 3.33Å; F90-L494 HydrophobicContact CE1-CD1 4.33Å; F90-L494 HydrophobicContact CE1-CD2 3.94Å; F90-L494 HydrophobicContact CE2-CD1 4.18Å; F90-L494 HydrophobicContact CZ-CD1 3.82Å; F90-L494 HydrophobicContact CZ-CD2 3.8Å; F90-L494 HydrophobicContact CZ-CG 4.49Å
91T83.8Confident85.6Confident65 Ų6542.6 Ų42.640%0.39922%0.216SC..Hα-helixtrans-68.1-42.5178.367.50000110.8S88 S93 S94 L95S88-T91 WeakPolarHBondContact CA-OG1 3.38Å; S88-T91 PolarHBondContact O-N 2.64Å; S88-T91 VanDerWaalsContact O-N 3.11Å; S88-T91 PolarHBondContact O-OG1 3.18Å; T91-S93 PolarHBondContact O-N 3.49Å; T91-S94 PolarHBondContact O-N 3.33Å; T91-S94 PolarHBondContact O-OG 2.92Å; T91-L95 VanDerWaalsContact O-CB 3.27Å; T91-L95 WeakPolarHBondContact O-CB 3.31Å; T91-L95 PolarHBondContact O-N 2.94Å
92I86.8Confident85.3Confident5 Ų546.8 Ų46.83%0.02623%0.23CC..Hα-helixtrans-63.4-40.8175.8-66.8-64.4000111.7S88 S94 L95 S96 A104 V107 L108 Q152S88-I92 WeakPolarHBondContact O-CB 3.5Å; S88-I92 VanDerWaalsContact O-CG1 3.29Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.06Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.49Å; I92-L95 HydrophobicContact CD1-CD2 4.35Å; I92-L95 PolarHBondContact O-N 3.09Å; I92-S96 WeakPolarHBondContact O-CB 3.47Å; I92-S96 PolarHBondContact O-N 3.36Å; I92-A104 HydrophobicContact CG2-CB 4.33Å; I92-V107 HydrophobicContact CD1-CB 4.06Å; I92-V107 HydrophobicContact CD1-CG1 3.66Å; I92-L108 HydrophobicContact CD1-CD2 4.33Å; I92-L108 HydrophobicContact CD1-CG 4.4Å; I92-L108 HydrophobicContact CG1-CD2 4.09Å; I92-L108 HydrophobicContact CG2-CD1 4.01Å; I92-L108 HydrophobicContact CG2-CD2 4.16Å; I92-L108 HydrophobicContact CG2-CG 4.08Å; I92-Q152 HydrophobicContact CG2-CG 4.21Å
93S81.3Confident84.9Confident21 Ų2149.9 Ų49.915%0.14725%0.249CC..Hα-helixtrans-60.6-44.2178-630000111.6S89 F90 T91 D97S89-S93 WeakPolarHBondContact O-CB 3.49Å; S89-S93 PolarHBondContact O-N 2.83Å; S89-S93 PolarHBondContact O-OG 3.27Å; F90-S93 PolarHBondContact O-N 3.13Å; T91-S93 PolarHBondContact O-N 3.49Å; S93-D97 PolarHBondContact O-N 3.33Å
94S78.9Confident84.7Confident29 Ų2944.9 Ų44.920%0.20322%0.223CC..Hα-helixtrans-70.6-41.3175.959.70000113.4F90 T91 I92 S96 D97 H98 W281F90-S94 PolarHBondContact O-N 3.42Å; F90-S94 PolarHBondContact O-OG 3.33Å; T91-S94 PolarHBondContact O-N 3.33Å; T91-S94 PolarHBondContact O-OG 2.92Å; I92-S94 VanDerWaalsContact C-N 3.33Å; I92-S94 PolarHBondContact O-N 3.49Å; S94-S96 VanDerWaalsContact C-N 3.28Å; S94-S96 PolarHBondContact O-N 2.97Å; S94-D97 PolarHBondContact O-N 3.46Å; S94-D97 VanDerWaalsContact O-N 3.12Å; S94-H98 PolarHBondContact O-N 2.92Å; S94-H98 VanDerWaalsContact O-N 3.13Å; S94-W281 PolarHBondContact OG-NE1 3.28Å
95L83.2Confident84.6Confident44 Ų4444.3 Ų44.323%0.2322%0.22CC..Hα-helixtrans-58.6-43.5175.6-17280.5000111.2T91 I92 D97 H98 Y99 V103 V107T91-L95 VanDerWaalsContact O-CB 3.27Å; T91-L95 WeakPolarHBondContact O-CB 3.31Å; T91-L95 PolarHBondContact O-N 2.94Å; I92-L95 HydrophobicContact CD1-CD2 4.35Å; I92-L95 PolarHBondContact O-N 3.09Å; L95-D97 PolarHBondContact O-N 3.12Å; L95-H98 PolarHBondContact O-N 3.08Å; L95-H98 VanDerWaalsContact O-N 3.16Å; L95-Y99 HydrophobicContact CD1-CD2 3.28Å; L95-Y99 HydrophobicContact CD1-CE2 3.62Å; L95-Y99 HydrophobicContact CD1-CG 4.33Å; L95-Y99 HydrophobicContact CG-CD2 4.05Å; L95-Y99 PolarHBondContact O-N 2.89Å; L95-V103 HydrophobicContact CD2-CG1 4.48Å; L95-V107 HydrophobicContact CD2-CB 4.44Å; L95-V107 HydrophobicContact CD2-CG2 3.87Å
96S85.5Confident84.4Confident0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-61.7-25.2178.5-173.70000112.9I92 S94 G100 R101 A104 Q152 Q241I92-S96 WeakPolarHBondContact O-CB 3.47Å; I92-S96 PolarHBondContact O-N 3.36Å; S94-S96 VanDerWaalsContact C-N 3.28Å; S94-S96 PolarHBondContact O-N 2.97Å; S96-G100 CarbonylContact O-C 3.43Å; S96-R101 VanDerWaalsContact C-NH1 3.32Å; S96-R101 WeakPolarHBondContact O-CD 3.3Å; S96-R101 PolarHBondContact O-NH1 3.29Å; S96-R101 WeakPolarHBondContact OG-CD 3.28Å; S96-R101 PolarHBondContact OG-NH1 3.24Å; S96-A104 VanDerWaalsContact CA-CB 3.49Å; S96-A104 VanDerWaalsContact CB-CB 3.42Å; S96-Q152 VanDerWaalsContact CB-OE1 3.26Å; S96-Q152 PolarHBondContact OG-OE1 3.15Å; S96-Q241 PolarHBondContact O-NE2 2.92Å
97D72.4Confident84.4Confident42 Ų4246 Ų4623%0.22524%0.237CC..Hα-helixtrans-88.6-30.2175.1-67-45.6000113S93 S94 L95 R101 Q241 K284S93-D97 PolarHBondContact O-N 3.33Å; S94-D97 PolarHBondContact O-N 3.46Å; S94-D97 VanDerWaalsContact O-N 3.12Å; L95-D97 PolarHBondContact O-N 3.12Å; D97-R101 IonicContact OD1-CZ 3.12Å; D97-R101 IonicContact OD1-NH1 3.09Å; D97-R101 PolarHBondContact OD1-NH1 3.43Å; D97-R101 IonicContact OD1-NH2 3.95Å; D97-R101 PolarHBondContact OD1-NH2 3.46Å; D97-Q241 PolarHBondContact O-NE2 2.67Å; D97-K284 IonicContact OD1-NZ 2.66Å; D97-K284 PolarHBondContact OD1-NZ 2.95Å; D97-K284 WeakPolarHBondContact OD2-CD 3.48Å; D97-K284 VanDerWaalsContact OD2-CE 3.29Å; D97-K284 WeakPolarHBondContact OD2-CE 3.19Å; D97-K284 IonicContact OD2-NZ 3.68Å; D97-K284 PolarHBondContact OD2-NZ 3.49Å
98H73.6Confident84.6Confident125 Ų12540.3 Ų40.358%0.57921%0.207SC*.Hα-helixtrans-88.4-45-175.8-167.357.1000113.9S94 L95S94-H98 PolarHBondContact O-N 2.92Å; S94-H98 VanDerWaalsContact O-N 3.13Å; L95-H98 PolarHBondContact O-N 3.08Å; L95-H98 VanDerWaalsContact O-N 3.16Å
99Y79.2Confident84.7Confident146 Ų14640.2 Ų40.257%0.57321%0.206SC*.SBendtrans-1023.7-172.9-69-78.7000113.8L95 V103L95-Y99 HydrophobicContact CD1-CD2 3.28Å; L95-Y99 HydrophobicContact CD1-CE2 3.62Å; L95-Y99 HydrophobicContact CD1-CG 4.33Å; L95-Y99 HydrophobicContact CG-CD2 4.05Å; L95-Y99 PolarHBondContact O-N 2.89Å; Y99-V103 WeakPolarHBondContact O-CG2 3.34Å
100G82.4Confident84.9Confident2 Ų241.2 Ų41.22%0.02122%0.217CC..  trans95.5156.1-17200000113.5S96 R102 E239 Q241S96-G100 CarbonylContact O-C 3.43Å; G100-R102 VanDerWaalsContact C-N 3.28Å; G100-R102 PolarHBondContact O-N 3.13Å; G100-E239 VanDerWaalsContact CA-CD 3.49Å; G100-E239 WeakPolarHBondContact CA-OE1 3.49Å; G100-E239 WeakPolarHBondContact CA-OE2 3.45Å; G100-Q241 VanDerWaalsContact CA-CD 3.48Å
101R86Confident85.4Confident11 Ų1137.5 Ų37.54%0.04220%0.201CC..Hα-helixtrans-65.8-32.8177.4-60-50.1-175.8-157.3-8.8111.2S96 D97 V103 A104 M105 V155 D159 E239 T240 Q241S96-R101 VanDerWaalsContact C-NH1 3.32Å; S96-R101 WeakPolarHBondContact O-CD 3.3Å; S96-R101 PolarHBondContact O-NH1 3.29Å; S96-R101 WeakPolarHBondContact OG-CD 3.28Å; S96-R101 PolarHBondContact OG-NH1 3.24Å; D97-R101 IonicContact OD1-CZ 3.12Å; D97-R101 IonicContact OD1-NH1 3.09Å; D97-R101 PolarHBondContact OD1-NH1 3.43Å; D97-R101 IonicContact OD1-NH2 3.95Å; D97-R101 PolarHBondContact OD1-NH2 3.46Å; R101-V103 PolarHBondContact O-N 3.11Å; R101-A104 PolarHBondContact O-N 3.22Å; R101-M105 VanDerWaalsContact O-CG 3.29Å; R101-M105 WeakPolarHBondContact O-CG 3.13Å; R101-M105 PolarHBondContact O-N 2.93Å; R101-V155 VanDerWaalsContact CZ-CG1 3.49Å; R101-D159 IonicContact CZ-OD2 2.63Å; R101-D159 IonicContact NE-OD2 2.77Å; R101-D159 PolarHBondContact NE-OD2 2.83Å; R101-D159 IonicContact NH2-OD1 2.76Å; R101-D159 IonicContact NH2-OD2 3.32Å; R101-D159 PolarHBondContact NH2-OD2 2.92Å; R101-E239 PolarHBondContact N-OE1 3.47Å; R101-E239 PolarHBondContact N-OE2 3Å; R101-T240 WeakPolarHBondContact CB-OG1 3.36Å; R101-T240 WeakPolarHBondContact CG-OG1 3.44Å; R101-Q241 HydrophobicContact CG-CG 3.97Å
102R86.6Confident85.8Confident109 Ų10934.4 Ų34.441%0.41118%0.183SC..Hα-helixtrans-63.8-43.7-178.1-175.7-179.3177.4-171.80.6111.8G100 M105 G106 W235 L237 E239G100-R102 VanDerWaalsContact C-N 3.28Å; G100-R102 PolarHBondContact O-N 3.13Å; R102-M105 PolarHBondContact O-N 3.15Å; R102-G106 PolarHBondContact O-N 3.04Å; R102-W235 PolarHBondContact NH2-O 3.35Å; R102-W235 VanDerWaalsContact NH2-O 3.13Å; R102-L237 HydrophobicContact CG-CB 4.3Å; R102-E239 WeakPolarHBondContact CB-OE2 3.32Å; R102-E239 PolarHBondContact N-OE2 3.31Å
103V87Confident86Confident70 Ų7035.6 Ų35.642%0.42419%0.19SC..Hα-helixtrans-64.7-45.6179.8176.50000110.4L95 Y99 R101 M105 G106 V107L95-V103 HydrophobicContact CD2-CG1 4.48Å; Y99-V103 WeakPolarHBondContact O-CG2 3.34Å; R101-V103 PolarHBondContact O-N 3.11Å; V103-M105 PolarHBondContact O-N 3.37Å; V103-G106 PolarHBondContact O-N 3.48Å; V103-G106 VanDerWaalsContact O-N 3.12Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 2.91Å
104A89.2Confident86.6Confident0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-60.8-43.9176.800000113I92 S96 R101 G106 V107 L108I92-A104 HydrophobicContact CG2-CB 4.33Å; S96-A104 VanDerWaalsContact CA-CB 3.49Å; S96-A104 VanDerWaalsContact CB-CB 3.42Å; R101-A104 PolarHBondContact O-N 3.22Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.15Å; A104-V107 PolarHBondContact O-N 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.33Å; A104-L108 PolarHBondContact O-N 3.4Å; A104-L108 VanDerWaalsContact O-N 3.1Å
105M89.1Confident87.3Confident3 Ų335.1 Ų35.12%0.01519%0.185CC..Hα-helixtrans-62.8-35.5174.4-70.3-68.2-82.100112.2R101 R102 V103 L108 F109 F149 Q152 I153 L237R101-M105 VanDerWaalsContact O-CG 3.29Å; R101-M105 WeakPolarHBondContact O-CG 3.13Å; R101-M105 PolarHBondContact O-N 2.93Å; R102-M105 PolarHBondContact O-N 3.15Å; V103-M105 PolarHBondContact O-N 3.37Å; M105-L108 HydrophobicContact SD-CD1 4.32Å; M105-F109 WeakPolarHBondContact O-CB 3.46Å; M105-F109 PolarHBondContact O-N 2.91Å; M105-F149 HydrophobicContact CB-CE2 4.43Å; M105-F149 HydrophobicContact CE-CD1 4.1Å; M105-F149 HydrophobicContact CE-CD2 3.69Å; M105-F149 HydrophobicContact CE-CE1 3.67Å; M105-F149 HydrophobicContact CE-CE2 3.22Å; M105-F149 HydrophobicContact CE-CG 4.11Å; M105-F149 HydrophobicContact CE-CZ 3.2Å; M105-F149 HydrophobicContact SD-CD2 3.76Å; M105-F149 HydrophobicContact SD-CE2 3.74Å; M105-F149 HydrophobicContact SD-CG 4.37Å; M105-F149 HydrophobicContact SD-CZ 4.32Å; M105-Q152 HydrophobicContact SD-CB 3.52Å; M105-Q152 VanDerWaalsContact SD-CB 3.52Å; M105-Q152 HydrophobicContact SD-CG 4.33Å; M105-I153 HydrophobicContact CE-CD1 4.03Å; M105-I153 HydrophobicContact CE-CG1 3.63Å; M105-L237 HydrophobicContact CB-CD1 4.41Å
106G89.3Confident87.8Confident25 Ų2533 Ų3326%0.25818%0.175SC..Hα-helixtrans-65.2-42.4175.300000113.5R102 V103 A104 F109 G110R102-G106 PolarHBondContact O-N 3.04Å; V103-G106 PolarHBondContact O-N 3.48Å; V103-G106 VanDerWaalsContact O-N 3.12Å; A104-G106 VanDerWaalsContact C-N 3.28Å; A104-G106 PolarHBondContact O-N 3.15Å; G106-F109 PolarHBondContact O-N 3.37Å; G106-G110 PolarHBondContact O-N 3.48Å
107V91.6Very high88.1Confident51 Ų5137.3 Ų37.331%0.30920%0.197SC..Hα-helixtrans-62.9-46175.6176.10000111I92 L95 V103 A104 F109 G110 G111I92-V107 HydrophobicContact CD1-CB 4.06Å; I92-V107 HydrophobicContact CD1-CG1 3.66Å; L95-V107 HydrophobicContact CD2-CB 4.44Å; L95-V107 HydrophobicContact CD2-CG2 3.87Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 2.91Å; A104-V107 PolarHBondContact O-N 3.22Å; V107-F109 VanDerWaalsContact C-N 3.31Å; V107-F109 PolarHBondContact O-N 2.85Å; V107-G110 PolarHBondContact O-N 2.85Å; V107-G110 VanDerWaalsContact O-N 3.14Å; V107-G111 PolarHBondContact O-N 3.02Å; V107-G111 VanDerWaalsContact O-N 3.11Å
108L92Very high89.2Confident1 Ų136.8 Ų36.81%0.00520%0.195CC..Hα-helixtrans-58.2-44.2176-71.1174.3000112.1I92 A104 M105 G110 G111 L112 G143 T148 F149 Q152I92-L108 HydrophobicContact CD1-CD2 4.33Å; I92-L108 HydrophobicContact CD1-CG 4.4Å; I92-L108 HydrophobicContact CG1-CD2 4.09Å; I92-L108 HydrophobicContact CG2-CD1 4.01Å; I92-L108 HydrophobicContact CG2-CD2 4.16Å; I92-L108 HydrophobicContact CG2-CG 4.08Å; A104-L108 WeakPolarHBondContact O-CG 3.33Å; A104-L108 PolarHBondContact O-N 3.4Å; A104-L108 VanDerWaalsContact O-N 3.1Å; M105-L108 HydrophobicContact SD-CD1 4.32Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 3.45Å; L108-G111 PolarHBondContact O-N 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.16Å; L108-L112 PolarHBondContact O-N 3.31Å; L108-G143 WeakPolarHBondContact CD2-O 3.22Å; L108-T148 WeakPolarHBondContact CD2-OG1 3.33Å; L108-F149 HydrophobicContact CB-CD2 3.86Å; L108-F149 HydrophobicContact CD1-CB 4.33Å; L108-F149 HydrophobicContact CD1-CD2 4.12Å; L108-Q152 HydrophobicContact CD1-CB 4.33Å; L108-Q152 HydrophobicContact CD1-CG 3.63Å
109F90.8Very high90.2Very high6 Ų630.9 Ų30.93%0.02617%0.168CC..Hα-helixtrans-64-37.6177.5-168.5-87.6000112.4T19 F22 M105 G106 V107 G111 L112 T113 V231 L234T19-F109 HydrophobicContact CG2-CD2 4.17Å; T19-F109 HydrophobicContact CG2-CE2 4.19Å; F22-F109 AromaticContact CE1-CE2 3.65Å; F22-F109 HydrophobicContact CE1-CE2 3.65Å; F22-F109 AromaticContact CE1-CZ 3.95Å; F22-F109 HydrophobicContact CE1-CZ 3.95Å; F22-F109 AromaticContact CZ-CE2 3.85Å; F22-F109 HydrophobicContact CZ-CE2 3.85Å; F22-F109 HydrophobicContact CZ-CZ 4.15Å; M105-F109 WeakPolarHBondContact O-CB 3.46Å; M105-F109 PolarHBondContact O-N 2.91Å; G106-F109 PolarHBondContact O-N 3.37Å; V107-F109 VanDerWaalsContact C-N 3.31Å; V107-F109 PolarHBondContact O-N 2.85Å; F109-G111 VanDerWaalsContact C-N 3.3Å; F109-G111 PolarHBondContact O-N 3.38Å; F109-L112 PolarHBondContact O-N 2.84Å; F109-T113 VanDerWaalsContact CE1-OG1 3.3Å; F109-T113 WeakPolarHBondContact CE1-OG1 3.27Å; F109-T113 PolarHBondContact O-N 3.47Å; F109-T113 PolarHBondContact O-OG1 2.73Å; F109-V231 HydrophobicContact CE1-CB 4.23Å; F109-V231 HydrophobicContact CE1-CG2 3.61Å; F109-V231 HydrophobicContact CZ-CB 4.5Å; F109-V231 HydrophobicContact CZ-CG2 3.95Å; F109-L234 HydrophobicContact CB-CD1 4.22Å; F109-L234 HydrophobicContact CB-CD2 4.09Å; F109-L234 HydrophobicContact CD1-CD2 3.95Å; F109-L234 HydrophobicContact CG-CD1 4.36Å; F109-L234 HydrophobicContact CG-CD2 4.06Å
110G91.1Very high91Very high32 Ų3224.1 Ų24.133%0.3314%0.142SC..Hα-helixtrans-57.5-42.2171.900000112.3G106 V107 L108 T113 S114G106-G110 PolarHBondContact O-N 3.48Å; V107-G110 PolarHBondContact O-N 2.85Å; V107-G110 VanDerWaalsContact O-N 3.14Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-G110 PolarHBondContact O-N 3.45Å; G110-T113 PolarHBondContact O-N 3.38Å; G110-S114 PolarHBondContact O-N 2.67Å
111G93.4Very high91.6Very high1 Ų128.2 Ų28.21%0.0116%0.163CC..Hα-helixtrans-64.4-41.5174.200000114V107 L108 F109 T113 S114 N115 C139 L142V107-G111 PolarHBondContact O-N 3.02Å; V107-G111 VanDerWaalsContact O-N 3.11Å; L108-G111 PolarHBondContact O-N 3.29Å; F109-G111 VanDerWaalsContact C-N 3.3Å; F109-G111 PolarHBondContact O-N 3.38Å; G111-T113 VanDerWaalsContact C-N 3.32Å; G111-T113 PolarHBondContact O-N 3.02Å; G111-S114 PolarHBondContact O-N 3Å; G111-S114 PolarHBondContact O-OG 3.37Å; G111-N115 PolarHBondContact O-N 3.44Å; G111-C139 VanDerWaalsContact C-SG 3.52Å; G111-C139 VanDerWaalsContact O-CB 3.28Å; G111-C139 WeakPolarHBondContact O-CB 3.3Å; G111-C139 PolarHBondContact O-SG 2.95Å; G111-L142 VanDerWaalsContact CA-CB 3.44Å
112L92.9Very high92.1Very high0 Ų027.8 Ų27.80%016%0.161CC..Hα-helixtrans-61.8-43.6174.9-62.7173.4000111.1T19 F22 W23 L108 F109 N115 I116 L146T19-L112 HydrophobicContact CG2-CD1 3.52Å; F22-L112 HydrophobicContact CE2-CB 4.24Å; F22-L112 HydrophobicContact CZ-CB 4.2Å; F22-L112 HydrophobicContact CZ-CD1 4.37Å; W23-L112 HydrophobicContact CD2-CD2 3.75Å; W23-L112 HydrophobicContact CE3-CB 4.04Å; W23-L112 HydrophobicContact CE3-CD2 3.35Å; W23-L112 HydrophobicContact CE3-CG 4.25Å; W23-L112 HydrophobicContact CH2-CD2 3.83Å; W23-L112 HydrophobicContact CZ2-CD2 4.21Å; W23-L112 HydrophobicContact CZ3-CB 4.09Å; W23-L112 HydrophobicContact CZ3-CD2 3.39Å; W23-L112 HydrophobicContact CZ3-CG 4.34Å; L108-L112 WeakPolarHBondContact O-CG 3.16Å; L108-L112 PolarHBondContact O-N 3.31Å; F109-L112 PolarHBondContact O-N 2.84Å; L112-N115 WeakPolarHBondContact O-CB 3.29Å; L112-N115 PolarHBondContact O-N 3.01Å; L112-I116 WeakPolarHBondContact O-CD1 3.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 2.89Å; L112-L146 HydrophobicContact CD2-CB 4.5Å
113T91.1Very high92.5Very high30 Ų3022.6 Ų22.618%0.18414%0.142CC..Hα-helixtrans-67.6-39.6-179-51.10000111.4F109 G110 G111 N115 I116 I117F109-T113 VanDerWaalsContact CE1-OG1 3.3Å; F109-T113 WeakPolarHBondContact CE1-OG1 3.27Å; F109-T113 PolarHBondContact O-N 3.47Å; F109-T113 PolarHBondContact O-OG1 2.73Å; G110-T113 PolarHBondContact O-N 3.38Å; G111-T113 VanDerWaalsContact C-N 3.32Å; G111-T113 PolarHBondContact O-N 3.02Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 2.93Å; T113-I116 PolarHBondContact O-N 3.3Å; T113-I117 HydrophobicContact CG2-CD1 3.98Å; T113-I117 HydrophobicContact CG2-CG1 4.45Å; T113-I117 VanDerWaalsContact O-CG1 3.32Å; T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.82Å
114S92.6Very high92.8Very high27 Ų2721.9 Ų21.919%0.18914%0.135CC..Hα-helixtrans-62.4-41.2177.676.30000112.1G110 G111 I116 I117 V118 T138G110-S114 PolarHBondContact O-N 2.67Å; G111-S114 PolarHBondContact O-N 3Å; G111-S114 PolarHBondContact O-OG 3.37Å; S114-I116 VanDerWaalsContact C-N 3.29Å; S114-I116 PolarHBondContact O-N 2.69Å; S114-I117 PolarHBondContact O-N 3.39Å; S114-V118 WeakPolarHBondContact O-CG2 3.5Å; S114-V118 PolarHBondContact O-N 2.95Å; S114-V118 VanDerWaalsContact O-N 3.16Å; S114-T138 PolarHBondContact OG-OG1 3.39Å
115N93.9Very high93.1Very high12 Ų1227.2 Ų27.26%0.06416%0.163CC..Hα-helixtrans-57.9-44.7175.4-172.1-97000111.8W23 G111 L112 T113 V118 S119 G135 N136 C139W23-N115 HydrophobicContact CH2-CB 4.16Å; W23-N115 HydrophobicContact CZ3-CB 3.89Å; G111-N115 PolarHBondContact O-N 3.44Å; L112-N115 WeakPolarHBondContact O-CB 3.29Å; L112-N115 PolarHBondContact O-N 3.01Å; T113-N115 VanDerWaalsContact C-N 3.34Å; T113-N115 PolarHBondContact O-N 2.93Å; N115-V118 PolarHBondContact O-N 3.4Å; N115-S119 WeakPolarHBondContact O-CB 3.26Å; N115-S119 PolarHBondContact O-N 3.42Å; N115-S119 PolarHBondContact O-OG 2.84Å; N115-G135 PolarHBondContact ND2-O 3.38Å; N115-N136 WeakPolarHBondContact ND2-CA 3.42Å; N115-N136 PolarHBondContact ND2-N 3.44Å; N115-N136 PolarHBondContact ND2-OD1 2.9Å; N115-N136 VanDerWaalsContact ND2-OD1 3.14Å; N115-C139 HydrophobicContact CB-CB 3.84Å
116I93.4Very high93.1Very high1 Ų130.7 Ų30.71%0.00518%0.179CC..Hα-helixtrans-69.1-42.1-176.5-74.9166.3000111.3F22 W23 F26 L112 T113 S114 V118 S119 S120 L224F22-I116 HydrophobicContact CD2-CD1 3.07Å; F22-I116 HydrophobicContact CD2-CG1 4.5Å; F22-I116 HydrophobicContact CE2-CD1 3.08Å; F22-I116 HydrophobicContact CG-CD1 4.32Å; F22-I116 HydrophobicContact CZ-CD1 4.29Å; W23-I116 HydrophobicContact CE3-CD1 4.35Å; F26-I116 HydrophobicContact CB-CG1 4.25Å; F26-I116 HydrophobicContact CD1-CG1 4.47Å; F26-I116 HydrophobicContact CD1-CG2 4.29Å; F26-I116 HydrophobicContact CD2-CB 4.44Å; F26-I116 HydrophobicContact CD2-CD1 3.88Å; F26-I116 HydrophobicContact CD2-CG1 3.84Å; F26-I116 HydrophobicContact CD2-CG2 3.79Å; F26-I116 HydrophobicContact CE1-CG2 3.94Å; F26-I116 HydrophobicContact CE2-CB 4.46Å; F26-I116 HydrophobicContact CE2-CD1 4.39Å; F26-I116 HydrophobicContact CE2-CG1 4.33Å; F26-I116 HydrophobicContact CE2-CG2 3.37Å; F26-I116 HydrophobicContact CG-CD1 4.38Å; F26-I116 HydrophobicContact CG-CG1 3.93Å; F26-I116 HydrophobicContact CG-CG2 4.23Å; F26-I116 HydrophobicContact CZ-CG2 3.48Å; F26-I116 VanDerWaalsContact CZ-CG2 3.48Å; L112-I116 WeakPolarHBondContact O-CD1 3.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 2.89Å; T113-I116 PolarHBondContact O-N 3.3Å; S114-I116 VanDerWaalsContact C-N 3.29Å; S114-I116 PolarHBondContact O-N 2.69Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.38Å; I116-S119 PolarHBondContact O-N 3.35Å; I116-S120 WeakPolarHBondContact O-CB 3.38Å; I116-S120 PolarHBondContact O-N 3.25Å; I116-S120 PolarHBondContact O-OG 3.44Å; I116-L224 HydrophobicContact CG2-CD2 3.79Å
117I93.5Very high93.3Very high90 Ų9032.4 Ų32.446%0.46218%0.182SC..Hα-helixtrans-58.6-49.6176.4-69165.7000109.6T113 S114 S120 L121T113-I117 HydrophobicContact CG2-CD1 3.98Å; T113-I117 HydrophobicContact CG2-CG1 4.45Å; T113-I117 VanDerWaalsContact O-CG1 3.32Å; T113-I117 WeakPolarHBondContact O-CG1 3.38Å; T113-I117 PolarHBondContact O-N 2.82Å; S114-I117 PolarHBondContact O-N 3.39Å; I117-S120 PolarHBondContact O-N 3.42Å; I117-L121 HydrophobicContact CG2-CD1 4.36Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.46Å
118V95.2Very high93.4Very high30 Ų3034.5 Ų34.518%0.18219%0.192CC..Hα-helixtrans-64.1-45.3179.2177.50000111.4S114 N115 I116 S120 L121 V122S114-V118 WeakPolarHBondContact O-CG2 3.5Å; S114-V118 PolarHBondContact O-N 2.95Å; S114-V118 VanDerWaalsContact O-N 3.16Å; N115-V118 PolarHBondContact O-N 3.4Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.38Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 2.98Å; V118-L121 PolarHBondContact O-N 2.86Å; V118-V122 WeakPolarHBondContact O-CG2 3.27Å; V118-V122 PolarHBondContact O-N 3.18Å
119S94.4Very high93.5Very high2 Ų234.9 Ų34.91%0.01419%0.194CC..Hα-helixtrans-63.1-38.5179.2-56.60000111.9N115 I116 V122 I123N115-S119 WeakPolarHBondContact O-CB 3.26Å; N115-S119 PolarHBondContact O-N 3.42Å; N115-S119 PolarHBondContact O-OG 2.84Å; I116-S119 PolarHBondContact O-N 3.35Å; S119-V122 PolarHBondContact O-N 2.99Å; S119-I123 VanDerWaalsContact O-CG1 3.3Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 3.21Å
120S95.1Very high93.6Very high4 Ų441.1 Ų41.13%0.02822%0.218CC..Hα-helixtrans-65.4-42.4175.5-56.50000111.5F26 I116 I117 V118 V122 I123 L124 L224F26-S120 VanDerWaalsContact CE1-OG 3.24Å; F26-S120 WeakPolarHBondContact CE1-OG 3.3Å; F26-S120 WeakPolarHBondContact CZ-OG 3.36Å; I116-S120 WeakPolarHBondContact O-CB 3.38Å; I116-S120 PolarHBondContact O-N 3.25Å; I116-S120 PolarHBondContact O-OG 3.44Å; I117-S120 PolarHBondContact O-N 3.42Å; V118-S120 VanDerWaalsContact C-N 3.3Å; V118-S120 PolarHBondContact O-N 2.98Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 3.41Å; S120-I123 PolarHBondContact O-N 3Å; S120-L124 VanDerWaalsContact O-CB 3.28Å; S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 WeakPolarHBondContact O-CG 3.26Å; S120-L124 PolarHBondContact O-N 2.7Å; S120-L224 WeakPolarHBondContact OG-CD2 3.17Å
121L96.2Very high93.8Very high87 Ų8743 Ų4346%0.45522%0.22SC..Hα-helixtrans-60.2-41.2174.6-71.1172.3000112I117 V118 L125I117-L121 HydrophobicContact CG2-CD1 4.36Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.46Å; V118-L121 PolarHBondContact O-N 2.86Å; L121-L125 HydrophobicContact CD2-CD1 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 PolarHBondContact O-N 2.7Å; L121-L125 VanDerWaalsContact O-N 3.11Å
122V96.3Very high94Very high2 Ų243 Ų431%0.01222%0.22CC..Hα-helixtrans-63.1-43.4176.9174.20000111.5F33 V118 S119 S120 E126 L127 L131 L132F33-V122 HydrophobicContact CE1-CG1 4.41Å; V118-V122 WeakPolarHBondContact O-CG2 3.27Å; V118-V122 PolarHBondContact O-N 3.18Å; S119-V122 PolarHBondContact O-N 2.99Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 3.41Å; V122-E126 CarbonylContact O-C 3.56Å; V122-E126 WeakPolarHBondContact O-CA 3.34Å; V122-E126 PolarHBondContact O-N 2.99Å; V122-E126 VanDerWaalsContact O-N 3.13Å; V122-L127 PolarHBondContact O-N 3.39Å; V122-L131 HydrophobicContact CG2-CB 3.69Å; V122-L132 HydrophobicContact CB-CD2 3.87Å; V122-L132 HydrophobicContact CB-CG 4.4Å; V122-L132 HydrophobicContact CG1-CD2 4Å; V122-L132 HydrophobicContact CG1-CG 4.06Å; V122-L132 HydrophobicContact CG2-CD2 3.97Å; V122-L132 HydrophobicContact CG2-CG 4.32Å
123I94.7Very high94.1Very high1 Ų145 Ų451%0.00523%0.23CC..Hα-helixtrans-70.8-48.2-179.3-65.8165.3000111.2L29 F33 S119 S120 L125 E126 F216 C220L29-I123 HydrophobicContact CD2-CD1 3.96Å; L29-I123 HydrophobicContact CG-CD1 4.06Å; F33-I123 HydrophobicContact CB-CG1 4.5Å; F33-I123 HydrophobicContact CD1-CG1 3.89Å; F33-I123 HydrophobicContact CD2-CG1 4.33Å; F33-I123 HydrophobicContact CD2-CG2 4.26Å; F33-I123 HydrophobicContact CE1-CG1 4.15Å; F33-I123 HydrophobicContact CE2-CG2 4.26Å; F33-I123 HydrophobicContact CG-CG1 3.98Å; F33-I123 HydrophobicContact CZ-CG1 4.47Å; S119-I123 VanDerWaalsContact O-CG1 3.3Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 3.21Å; S120-I123 PolarHBondContact O-N 3Å; I123-L125 PolarHBondContact O-N 3.19Å; I123-E126 PolarHBondContact O-N 3.33Å; I123-F216 HydrophobicContact CG2-CB 4.26Å; I123-C220 HydrophobicContact CG2-CB 4.09Å
124L94.1Very high94.2Very high54 Ų5448.2 Ų48.228%0.28325%0.246SC..Hα-helixtrans-67.5-34.8-174.8-68174.5000113S120 I217 C220 L221S120-L124 VanDerWaalsContact O-CB 3.28Å; S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 WeakPolarHBondContact O-CG 3.26Å; S120-L124 PolarHBondContact O-N 2.7Å; L124-I217 HydrophobicContact CD2-CB 4.47Å; L124-I217 HydrophobicContact CD2-CG2 3.73Å; L124-C220 HydrophobicContact CD2-CB 4.25Å; L124-L221 HydrophobicContact CD1-CD2 4.32Å; L124-L221 HydrophobicContact CD2-CD2 4.11Å; L124-L221 HydrophobicContact CD2-CG 4.25Å
125L93.8Very high94.3Very high113 Ų11346.9 Ų46.959%0.59224%0.237SC*.THydrogen-bonded Turntrans-102.16.8-178-60.3174.1000112.7L121 I123 L127L121-L125 HydrophobicContact CD2-CD1 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 PolarHBondContact O-N 2.7Å; L121-L125 VanDerWaalsContact O-N 3.11Å; I123-L125 PolarHBondContact O-N 3.19Å; L125-L127 HydrophobicContact CB-CD1 4.17Å; L125-L127 HydrophobicContact CB-CD2 3.83Å; L125-L127 HydrophobicContact CB-CG 3.68Å; L125-L127 HydrophobicContact CD1-CD1 4.21Å; L125-L127 PolarHBondContact O-N 2.66Å; L125-L127 VanDerWaalsContact O-N 3.15Å
126E89.8Confident94.4Very high75 Ų7547.2 Ų47.235%0.3524%0.238SC..THydrogen-bonded Turntrans45.641.7-174.2-67.4-162.8-172.400113.8R37 K40 V122 I123R37-E126 IonicContact CZ-OE2 3.02Å; R37-E126 IonicContact NH1-OE2 2.87Å; R37-E126 PolarHBondContact NH1-OE2 3.27Å; R37-E126 PolarHBondContact NH2-O 2.9Å; K40-E126 IonicContact NZ-OE1 3.88Å; K40-E126 IonicContact NZ-OE2 3.44Å; K40-E126 PolarHBondContact NZ-OE2 3.16Å; V122-E126 CarbonylContact O-C 3.56Å; V122-E126 WeakPolarHBondContact O-CA 3.34Å; V122-E126 PolarHBondContact O-N 2.99Å; V122-E126 VanDerWaalsContact O-N 3.13Å; I123-E126 PolarHBondContact O-N 3.33Å
127L93.3Very high94.4Very high61 Ų6150 Ų5032%0.31925%0.253SS..  trans-72.4174.8-176.7-55.5173.8000111.7V122 L125 L129 L131V122-L127 PolarHBondContact O-N 3.39Å; L125-L127 HydrophobicContact CB-CD1 4.17Å; L125-L127 HydrophobicContact CB-CD2 3.83Å; L125-L127 HydrophobicContact CB-CG 3.68Å; L125-L127 HydrophobicContact CD1-CD1 4.21Å; L125-L127 PolarHBondContact O-N 2.66Å; L125-L127 VanDerWaalsContact O-N 3.15Å; L127-L129 PolarHBondContact O-N 3.3Å; L127-L131 HydrophobicContact CB-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CD1 3.83Å; L127-L131 HydrophobicContact CG-CD1 4.39Å
128N93.9Very high94.5Very high95 Ų9547.9 Ų47.951%0.50824%0.244SC..  trans-56.9126.8174.2-171.7-4.2000111.7Y130 L131N128-Y130 PolarHBondContact O-N 3.13Å; N128-Y130 VanDerWaalsContact O-N 3.1Å; N128-Y130 WeakPolarHBondContact OD1-CD2 3.43Å; N128-Y130 PolarHBondContact OD1-N 3.07Å; N128-L131 WeakPolarHBondContact O-CB 3.31Å; N128-L131 PolarHBondContact O-N 2.93Å
129L94.6Very high94.4Very high9 Ų946.5 Ų46.55%0.04724%0.236CC..THydrogen-bonded Turntrans-54.7-30.1179.1-64.1177000112.8F33 I34 R37 F38 L73 L127 L131 L132F33-L129 HydrophobicContact CD1-CD2 4.07Å; F33-L129 HydrophobicContact CE1-CD2 3.83Å; I34-L129 HydrophobicContact CG1-CD2 4.32Å; R37-L129 HydrophobicContact CB-CD1 4Å; R37-L129 HydrophobicContact CB-CD2 4.06Å; R37-L129 HydrophobicContact CB-CG 4.38Å; R37-L129 HydrophobicContact CG-CD1 3.81Å; R37-L129 HydrophobicContact CG-CD2 4.01Å; R37-L129 HydrophobicContact CG-CG 3.96Å; F38-L129 HydrophobicContact CD1-CD1 4.34Å; F38-L129 HydrophobicContact CE1-CD1 3.88Å; F38-L129 HydrophobicContact CE2-CD1 4.17Å; F38-L129 HydrophobicContact CZ-CD1 3.81Å; L73-L129 HydrophobicContact CD2-CB 4.01Å; L73-L129 HydrophobicContact CD2-CD1 4.1Å; L127-L129 PolarHBondContact O-N 3.3Å; L129-L131 PolarHBondContact O-N 3.21Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 VanDerWaalsContact O-CG 3.28Å; L129-L132 WeakPolarHBondContact O-CG 3.39Å; L129-L132 PolarHBondContact O-N 3.04Å
130Y93.4Very high94.4Very high137 Ų13746.4 Ų46.454%0.53724%0.235SC..THydrogen-bonded Turntrans-65.3-18.6178.8-60.6-66.5000113.5L73 N128 L132 I133L73-Y130 HydrophobicContact CD1-CD1 4.27Å; L73-Y130 HydrophobicContact CD1-CE1 4.21Å; N128-Y130 PolarHBondContact O-N 3.13Å; N128-Y130 VanDerWaalsContact O-N 3.1Å; N128-Y130 WeakPolarHBondContact OD1-CD2 3.43Å; N128-Y130 PolarHBondContact OD1-N 3.07Å; Y130-L132 PolarHBondContact O-N 3.01Å; Y130-I133 HydrophobicContact CD1-CD1 4.11Å; Y130-I133 VanDerWaalsContact O-CB 3.23Å; Y130-I133 WeakPolarHBondContact O-CB 3.24Å; Y130-I133 WeakPolarHBondContact O-CG1 3.43Å; Y130-I133 PolarHBondContact O-N 3.36Å
131L95.2Very high94.3Very high73 Ų7352.6 Ų52.638%0.38226%0.262SS..Hα-helixtrans-65.6-19.9171.4-68.5174.9000112.6V122 L127 N128 L129 I133 L134 G135V122-L131 HydrophobicContact CG2-CB 3.69Å; L127-L131 HydrophobicContact CB-CD1 3.78Å; L127-L131 HydrophobicContact CD1-CD1 3.83Å; L127-L131 HydrophobicContact CG-CD1 4.39Å; N128-L131 WeakPolarHBondContact O-CB 3.31Å; N128-L131 PolarHBondContact O-N 2.93Å; L129-L131 PolarHBondContact O-N 3.21Å; L131-I133 PolarHBondContact O-N 2.86Å; L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.38Å; L131-L134 PolarHBondContact O-N 3.38Å; L131-G135 PolarHBondContact O-N 2.61Å
132L95.6Very high94.1Very high1 Ų151.8 Ų51.81%0.00526%0.258CS..Hα-helixtrans-62.2-25.2170.9-62.2172000112T30 I34 L77 V122 L129 Y130 L134 G135 N136T30-L132 HydrophobicContact CG2-CD1 3.91Å; T30-L132 HydrophobicContact CG2-CD2 4.29Å; I34-L132 HydrophobicContact CD1-CD1 4Å; I34-L132 HydrophobicContact CG1-CD1 3.97Å; L77-L132 HydrophobicContact CD1-CB 4.15Å; L77-L132 HydrophobicContact CD1-CD1 4.14Å; L77-L132 HydrophobicContact CD2-CB 3.56Å; V122-L132 HydrophobicContact CB-CD2 3.87Å; V122-L132 HydrophobicContact CB-CG 4.4Å; V122-L132 HydrophobicContact CG1-CD2 4Å; V122-L132 HydrophobicContact CG1-CG 4.06Å; V122-L132 HydrophobicContact CG2-CD2 3.97Å; V122-L132 HydrophobicContact CG2-CG 4.32Å; L129-L132 HydrophobicContact CD2-CD1 4.41Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 VanDerWaalsContact O-CG 3.28Å; L129-L132 WeakPolarHBondContact O-CG 3.39Å; L129-L132 PolarHBondContact O-N 3.04Å; Y130-L132 PolarHBondContact O-N 3.01Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 2.93Å; L132-G135 PolarHBondContact O-N 3.29Å; L132-N136 PolarHBondContact O-N 3.22Å; L132-N136 PolarHBondContact O-ND2 2.92Å
133I95.1Very high93.4Very high40 Ų4051.7 Ų51.721%0.20526%0.257CS..Hα-helixtrans-61.8-41.1173.9-61.8170.8000109.6L76 L77 A80 Y130 L131 G135 N136 L137L76-I133 HydrophobicContact CD2-CD1 4.01Å; L76-I133 HydrophobicContact CG-CD1 4.4Å; L77-I133 HydrophobicContact CD2-CB 4.36Å; L77-I133 HydrophobicContact CD2-CG1 3.58Å; A80-I133 HydrophobicContact CB-CG2 3.88Å; Y130-I133 HydrophobicContact CD1-CD1 4.11Å; Y130-I133 VanDerWaalsContact O-CB 3.23Å; Y130-I133 WeakPolarHBondContact O-CB 3.24Å; Y130-I133 WeakPolarHBondContact O-CG1 3.43Å; Y130-I133 PolarHBondContact O-N 3.36Å; L131-I133 PolarHBondContact O-N 2.86Å; I133-G135 PolarHBondContact O-N 2.88Å; I133-N136 PolarHBondContact O-N 3.5Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 HydrophobicContact CG2-CG 4.17Å; I133-L137 WeakPolarHBondContact O-CB 3.18Å; I133-L137 VanDerWaalsContact O-CG 3.32Å; I133-L137 WeakPolarHBondContact O-CG 3.25Å; I133-L137 PolarHBondContact O-N 3.3Å
134L94.6Very high92.9Very high98 Ų9851.8 Ų51.851%0.51326%0.258SS..Hα-helixtrans-62.5-42.9177.8-17963.6000111.7L131 L132 N136 L137 T138L131-L134 VanDerWaalsContact O-CB 3.32Å; L131-L134 WeakPolarHBondContact O-CB 3.38Å; L131-L134 PolarHBondContact O-N 3.38Å; L132-L134 VanDerWaalsContact C-N 3.29Å; L132-L134 PolarHBondContact O-N 2.93Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.17Å; L134-L137 PolarHBondContact O-N 3.02Å; L134-T138 HydrophobicContact CD1-CG2 4.48Å; L134-T138 WeakPolarHBondContact O-CG2 3.45Å; L134-T138 PolarHBondContact O-N 3.44Å; L134-T138 PolarHBondContact O-OG1 3.42Å; L134-T138 VanDerWaalsContact O-OG1 3.14Å
135G94.1Very high92.7Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-61.8-39.6175.200000112.6N115 L131 L132 I133 T138 C139N115-G135 PolarHBondContact ND2-O 3.38Å; L131-G135 PolarHBondContact O-N 2.61Å; L132-G135 PolarHBondContact O-N 3.29Å; I133-G135 PolarHBondContact O-N 2.88Å; G135-T138 PolarHBondContact O-OG1 3.45Å; G135-C139 WeakPolarHBondContact O-CB 3.46Å; G135-C139 PolarHBondContact O-N 3.09Å
136N95Very high92.5Very high18 Ų1845.2 Ų45.210%0.09622%0.224CC..Hα-helixtrans-71.6-41.6176.8-77.7-62.8000112.6L77 A80 L81 N115 L132 I133 L134 C139 G140L77-N136 WeakPolarHBondContact O-CB 3.28Å; A80-N136 HydrophobicContact CB-CB 4.18Å; L81-N136 WeakPolarHBondContact CA-O 3.43Å; L81-N136 HydrophobicContact CB-CB 3.99Å; N115-N136 WeakPolarHBondContact ND2-CA 3.42Å; N115-N136 PolarHBondContact ND2-N 3.44Å; N115-N136 PolarHBondContact ND2-OD1 2.9Å; N115-N136 VanDerWaalsContact ND2-OD1 3.14Å; L132-N136 PolarHBondContact O-N 3.22Å; L132-N136 PolarHBondContact O-ND2 2.92Å; I133-N136 PolarHBondContact O-N 3.5Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.17Å; N136-C139 PolarHBondContact O-N 3.44Å; N136-G140 PolarHBondContact O-N 3.02Å
137L95.2Very high92.4Very high59 Ų5942.6 Ų42.631%0.30921%0.212SC..Hα-helixtrans-60-47.9176-75.6171.3000111.8A80 P84 I133 L134 C139 G140 F141A80-L137 HydrophobicContact CB-CD2 4.18Å; A80-L137 HydrophobicContact CB-CG 4.19Å; A80-L137 WeakPolarHBondContact O-CD2 3.19Å; P84-L137 HydrophobicContact CG-CD2 3.89Å; I133-L137 HydrophobicContact CG2-CD1 3.89Å; I133-L137 HydrophobicContact CG2-CG 4.17Å; I133-L137 WeakPolarHBondContact O-CB 3.18Å; I133-L137 VanDerWaalsContact O-CG 3.32Å; I133-L137 WeakPolarHBondContact O-CG 3.25Å; I133-L137 PolarHBondContact O-N 3.3Å; L134-L137 PolarHBondContact O-N 3.02Å; L137-C139 VanDerWaalsContact C-N 3.34Å; L137-C139 PolarHBondContact O-N 2.82Å; L137-G140 PolarHBondContact O-N 3.04Å; L137-G140 VanDerWaalsContact O-N 3.15Å; L137-F141 WeakPolarHBondContact O-CD2 3.32Å; L137-F141 PolarHBondContact O-N 3.11Å
138T94.1Very high92.3Very high47 Ų4740.2 Ų40.229%0.28820%0.2SC..Hα-helixtrans-60.7-43.7179.653.20000111.9S114 L134 G135 G140 F141 L142S114-T138 PolarHBondContact OG-OG1 3.39Å; L134-T138 HydrophobicContact CD1-CG2 4.48Å; L134-T138 WeakPolarHBondContact O-CG2 3.45Å; L134-T138 PolarHBondContact O-N 3.44Å; L134-T138 PolarHBondContact O-OG1 3.42Å; L134-T138 VanDerWaalsContact O-OG1 3.14Å; G135-T138 PolarHBondContact O-OG1 3.45Å; T138-G140 VanDerWaalsContact C-N 3.35Å; T138-F141 PolarHBondContact O-N 3.26Å; T138-L142 WeakPolarHBondContact O-CB 3.02Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 2.99Å
139C94.6Very high92.2Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-63.4-39.3173.9-171.40000112.8L81 G111 N115 G135 N136 L137 L142 G143 G144L81-C139 HydrophobicContact CD1-CB 3.68Å; L81-C139 VanDerWaalsContact CD1-SG 3.55Å; G111-C139 VanDerWaalsContact C-SG 3.52Å; G111-C139 VanDerWaalsContact O-CB 3.28Å; G111-C139 WeakPolarHBondContact O-CB 3.3Å; G111-C139 PolarHBondContact O-SG 2.95Å; N115-C139 HydrophobicContact CB-CB 3.84Å; G135-C139 WeakPolarHBondContact O-CB 3.46Å; G135-C139 PolarHBondContact O-N 3.09Å; N136-C139 PolarHBondContact O-N 3.44Å; L137-C139 VanDerWaalsContact C-N 3.34Å; L137-C139 PolarHBondContact O-N 2.82Å; C139-L142 PolarHBondContact O-N 3.46Å; C139-G143 PolarHBondContact O-N 3.26Å; C139-G144 PolarHBondContact O-N 2.67Å; C139-G144 VanDerWaalsContact O-N 3.16Å
140G94Very high92Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-58.6-52.9174.100000111L81 G85 S88 N136 L137 T138 L142 G143 G144L81-G140 VanDerWaalsContact O-CA 3.28Å; L81-G140 WeakPolarHBondContact O-CA 3.41Å; G85-G140 VanDerWaalsContact CA-O 3.26Å; G85-G140 WeakPolarHBondContact CA-O 3.43Å; G85-G140 PolarHBondContact N-O 3.35Å; S88-G140 WeakPolarHBondContact CB-O 3.13Å; S88-G140 PolarHBondContact OG-O 3.15Å; N136-G140 PolarHBondContact O-N 3.02Å; L137-G140 PolarHBondContact O-N 3.04Å; L137-G140 VanDerWaalsContact O-N 3.15Å; T138-G140 VanDerWaalsContact C-N 3.35Å; G140-L142 VanDerWaalsContact C-N 3.28Å; G140-L142 PolarHBondContact O-N 3.36Å; G140-G143 PolarHBondContact O-N 3.16Å; G140-G143 VanDerWaalsContact O-N 3.11Å; G140-G144 PolarHBondContact O-N 3.27Å
141F93.5Very high91.9Very high135 Ų13529.8 Ų29.859%0.59216%0.156SC*.Hα-helixtrans-63.1-32.9179.5-75.6-66.1000113.5P84 S88 L137 T138 G143P84-F141 HydrophobicContact CB-CD1 4.02Å; P84-F141 HydrophobicContact CB-CD2 4.27Å; P84-F141 HydrophobicContact CB-CE1 3.96Å; P84-F141 HydrophobicContact CB-CE2 4.21Å; P84-F141 HydrophobicContact CB-CG 4.17Å; P84-F141 HydrophobicContact CB-CZ 4.06Å; P84-F141 HydrophobicContact CG-CE2 4.37Å; P84-F141 HydrophobicContact CG-CZ 4.37Å; S88-F141 VanDerWaalsContact CB-O 3.28Å; S88-F141 WeakPolarHBondContact CB-O 3.21Å; L137-F141 WeakPolarHBondContact O-CD2 3.32Å; L137-F141 PolarHBondContact O-N 3.11Å; T138-F141 PolarHBondContact O-N 3.26Å; F141-G143 PolarHBondContact O-N 3.47Å
142L91.2Very high91.7Very high70 Ų7026.8 Ų26.837%0.36614%0.14SC..THydrogen-bonded Turntrans-82.39.1177.6-70171.5000114.4G111 T138 C139 G140G111-L142 VanDerWaalsContact CA-CB 3.44Å; T138-L142 WeakPolarHBondContact O-CB 3.02Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 2.99Å; C139-L142 PolarHBondContact O-N 3.46Å; G140-L142 VanDerWaalsContact C-N 3.28Å; G140-L142 PolarHBondContact O-N 3.36Å
143G81.8Confident91.5Very high0 Ų026.8 Ų26.80%014%0.14CC..THydrogen-bonded Turntrans125.616.5164.800000116.2S88 L108 C139 G140 F141 T148S88-G143 WeakPolarHBondContact OG-CA 3.18Å; S88-G143 PolarHBondContact OG-N 3.47Å; L108-G143 WeakPolarHBondContact CD2-O 3.22Å; C139-G143 PolarHBondContact O-N 3.26Å; G140-G143 PolarHBondContact O-N 3.16Å; G140-G143 VanDerWaalsContact O-N 3.11Å; F141-G143 PolarHBondContact O-N 3.47Å; G143-T148 WeakPolarHBondContact O-CB 3.37Å; G143-T148 VanDerWaalsContact O-CG2 3.25Å; G143-T148 WeakPolarHBondContact O-CG2 3.48Å; G143-T148 PolarHBondContact O-OG1 3.29Å
144G84Confident91.2Very high2 Ų225 Ų252%0.02113%0.131CC..  trans84.319.3162.300000116.3G85 C139 G140 Y497G85-G144 VanDerWaalsContact CA-CA 3.47Å; C139-G144 PolarHBondContact O-N 2.67Å; C139-G144 VanDerWaalsContact O-N 3.16Å; G140-G144 PolarHBondContact O-N 3.27Å; G144-Y497 WeakPolarHBondContact CA-OH 3.46Å; G144-Y497 WeakPolarHBondContact O-CE2 3.48Å
145G89.5Confident91Very high2 Ų220.5 Ų20.52%0.02111%0.108CC..THydrogen-bonded Turntrans76.1-152.5168.600000115.5L147 T148 F149G145-L147 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.02Å; G145-T148 PolarHBondContact O-OG1 3.22Å; G145-F149 PolarHBondContact O-N 2.99Å
146L89.1Confident90.7Very high27 Ų2720.6 Ų20.614%0.14111%0.108CC..Hα-helixtrans-69.7-27.4-167.8-176.765.8000113.7W23 L112 F149 S150W23-L146 HydrophobicContact CG-CB 4.27Å; W23-L146 HydrophobicContact CG-CD2 4.13Å; L112-L146 HydrophobicContact CD2-CB 4.5Å; L146-F149 HydrophobicContact CD1-CD1 4.42Å; L146-F149 WeakPolarHBondContact O-CB 3.31Å; L146-F149 PolarHBondContact O-N 3.41Å; L146-S150 WeakPolarHBondContact O-CB 3.21Å; L146-S150 PolarHBondContact O-N 3.37Å
147L89.3Confident90.5Very high21 Ų2119.7 Ų19.711%0.1110%0.104CC..Hα-helixtrans-70.7-43.3-176.7-175.561.2000112.1G145 F149 S150 G151 Y314 E496 Y497 L500G145-L147 VanDerWaalsContact C-N 3.33Å; G145-L147 PolarHBondContact O-N 3.02Å; L147-F149 VanDerWaalsContact C-N 3.32Å; L147-S150 WeakPolarHBondContact O-CB 3.35Å; L147-S150 PolarHBondContact O-N 2.8Å; L147-G151 PolarHBondContact O-N 3.4Å; L147-Y314 HydrophobicContact CD1-CD2 4.3Å; L147-Y314 HydrophobicContact CD1-CE2 3.82Å; L147-E496 HydrophobicContact CD1-CB 4.27Å; L147-E496 HydrophobicContact CD2-CB 4.49Å; L147-Y497 HydrophobicContact CB-CD2 4.27Å; L147-Y497 VanDerWaalsContact CD2-CA 3.46Å; L147-Y497 HydrophobicContact CD2-CD2 3.75Å; L147-Y497 HydrophobicContact CD2-CG 4.16Å; L147-Y497 HydrophobicContact CG-CD2 4.13Å; L147-L500 HydrophobicContact CD2-CB 3.98Å; L147-L500 HydrophobicContact CD2-CD2 3.73Å; L147-L500 HydrophobicContact CD2-CG 4.49Å
148T90.7Very high90Very high11 Ų1116.9 Ų16.97%0.0679%0.089CC..Hα-helixtrans-67.7-34.7173.649.60000111.5L108 G143 G145 G151 Q152 Y497L108-T148 WeakPolarHBondContact CD2-OG1 3.33Å; G143-T148 WeakPolarHBondContact O-CB 3.37Å; G143-T148 VanDerWaalsContact O-CG2 3.25Å; G143-T148 WeakPolarHBondContact O-CG2 3.48Å; G143-T148 PolarHBondContact O-OG1 3.29Å; G145-T148 PolarHBondContact O-OG1 3.22Å; T148-G151 WeakPolarHBondContact O-CA 3.35Å; T148-G151 PolarHBondContact O-N 3.04Å; T148-Q152 WeakPolarHBondContact O-CG 3.25Å; T148-Q152 PolarHBondContact O-N 2.65Å; T148-Y497 HydrophobicContact CG2-CD2 3.74Å; T148-Y497 HydrophobicContact CG2-CE2 3.62Å
149F91Very high89.5Confident1 Ų115 Ų150%0.0048%0.077CC..Hα-helixtrans-57-50.6170.1-165.2-99.9000111.1L15 T16 T19 M105 L108 G145 L146 L147 G151 Q152 I153L15-F149 HydrophobicContact CD2-CZ 4.27Å; T16-F149 HydrophobicContact CG2-CE1 3.96Å; T19-F149 HydrophobicContact CG2-CD1 4.26Å; T19-F149 HydrophobicContact CG2-CE1 3.79Å; T19-F149 HydrophobicContact CG2-CZ 3.97Å; M105-F149 HydrophobicContact CB-CE2 4.43Å; M105-F149 HydrophobicContact CE-CD1 4.1Å; M105-F149 HydrophobicContact CE-CD2 3.69Å; M105-F149 HydrophobicContact CE-CE1 3.67Å; M105-F149 HydrophobicContact CE-CE2 3.22Å; M105-F149 HydrophobicContact CE-CG 4.11Å; M105-F149 HydrophobicContact CE-CZ 3.2Å; M105-F149 HydrophobicContact SD-CD2 3.76Å; M105-F149 HydrophobicContact SD-CE2 3.74Å; M105-F149 HydrophobicContact SD-CG 4.37Å; M105-F149 HydrophobicContact SD-CZ 4.32Å; L108-F149 HydrophobicContact CB-CD2 3.86Å; L108-F149 HydrophobicContact CD1-CB 4.33Å; L108-F149 HydrophobicContact CD1-CD2 4.12Å; G145-F149 PolarHBondContact O-N 2.99Å; L146-F149 HydrophobicContact CD1-CD1 4.42Å; L146-F149 WeakPolarHBondContact O-CB 3.31Å; L146-F149 PolarHBondContact O-N 3.41Å; L147-F149 VanDerWaalsContact C-N 3.32Å; F149-G151 VanDerWaalsContact C-N 3.29Å; F149-G151 PolarHBondContact O-N 3.31Å; F149-Q152 PolarHBondContact O-N 3.18Å; F149-Q152 VanDerWaalsContact O-N 3.12Å; F149-I153 HydrophobicContact CD1-CD1 3.55Å; F149-I153 HydrophobicContact CE1-CD1 3.75Å; F149-I153 HydrophobicContact CG-CD1 4.39Å; F149-I153 VanDerWaalsContact O-CD1 3.23Å; F149-I153 WeakPolarHBondContact O-CD1 3.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.33Å; F149-I153 PolarHBondContact O-N 3.4Å
150S91.4Very high89.1Confident18 Ų1815.1 Ų15.113%0.1268%0.078CC..Hα-helixtrans-57.8-38.2173.3-168.30000113.2L146 L147 I153 S154 Y192L146-S150 WeakPolarHBondContact O-CB 3.21Å; L146-S150 PolarHBondContact O-N 3.37Å; L147-S150 WeakPolarHBondContact O-CB 3.35Å; L147-S150 PolarHBondContact O-N 2.8Å; S150-I153 PolarHBondContact O-N 3.46Å; S150-S154 PolarHBondContact O-N 3.25Å; S150-S154 PolarHBondContact O-OG 3.01Å; S150-Y192 WeakPolarHBondContact CA-OH 3.31Å; S150-Y192 VanDerWaalsContact CB-OH 3.24Å; S150-Y192 WeakPolarHBondContact CB-OH 3.27Å; S150-Y192 PolarHBondContact OG-OH 3.4Å
151G91.1Very high88.6Confident3 Ų315.2 Ų15.23%0.0318%0.078CC..Hα-helixtrans-60-48.1172.100000112.7L147 T148 F149 I153 S154 V155L147-G151 PolarHBondContact O-N 3.4Å; T148-G151 WeakPolarHBondContact O-CA 3.35Å; T148-G151 PolarHBondContact O-N 3.04Å; F149-G151 VanDerWaalsContact C-N 3.29Å; F149-G151 PolarHBondContact O-N 3.31Å; G151-I153 VanDerWaalsContact C-N 3.32Å; G151-I153 PolarHBondContact O-N 2.93Å; G151-S154 WeakPolarHBondContact O-CB 3.4Å; G151-S154 PolarHBondContact O-N 2.98Å; G151-S154 VanDerWaalsContact O-N 3.13Å; G151-V155 WeakPolarHBondContact O-CG2 3.28Å; G151-V155 PolarHBondContact O-N 3.38Å
152Q89.9Confident87.8Confident10 Ų1010.9 Ų10.95%0.0476%0.059CC..Hα-helixtrans-63.7-35.4178.2-69.6-55.9-46.900112.7I92 S96 M105 L108 T148 F149 S154 V155 C156I92-Q152 HydrophobicContact CG2-CG 4.21Å; S96-Q152 VanDerWaalsContact CB-OE1 3.26Å; S96-Q152 PolarHBondContact OG-OE1 3.15Å; M105-Q152 HydrophobicContact SD-CB 3.52Å; M105-Q152 VanDerWaalsContact SD-CB 3.52Å; M105-Q152 HydrophobicContact SD-CG 4.33Å; L108-Q152 HydrophobicContact CD1-CB 4.33Å; L108-Q152 HydrophobicContact CD1-CG 3.63Å; T148-Q152 WeakPolarHBondContact O-CG 3.25Å; T148-Q152 PolarHBondContact O-N 2.65Å; F149-Q152 PolarHBondContact O-N 3.18Å; F149-Q152 VanDerWaalsContact O-N 3.12Å; Q152-S154 VanDerWaalsContact C-N 3.35Å; Q152-V155 WeakPolarHBondContact O-CB 3.46Å; Q152-V155 PolarHBondContact O-N 2.87Å; Q152-C156 PolarHBondContact O-N 3.27Å; Q152-C156 PolarHBondContact O-SG 2.99Å
153I91.5Very high86.7Confident0 Ų08.9 Ų8.90%05%0.049CC..Hα-helixtrans-66-40.5173.6-65.9144.7000110.9T16 M105 F149 S150 G151 V155 C156 F157 Y192T16-I153 HydrophobicContact CG2-CD1 3.13Å; T16-I153 HydrophobicContact CG2-CG1 3.79Å; M105-I153 HydrophobicContact CE-CD1 4.03Å; M105-I153 HydrophobicContact CE-CG1 3.63Å; F149-I153 HydrophobicContact CD1-CD1 3.55Å; F149-I153 HydrophobicContact CE1-CD1 3.75Å; F149-I153 HydrophobicContact CG-CD1 4.39Å; F149-I153 VanDerWaalsContact O-CD1 3.23Å; F149-I153 WeakPolarHBondContact O-CD1 3.46Å; F149-I153 WeakPolarHBondContact O-CG1 3.33Å; F149-I153 PolarHBondContact O-N 3.4Å; S150-I153 PolarHBondContact O-N 3.46Å; G151-I153 VanDerWaalsContact C-N 3.32Å; G151-I153 PolarHBondContact O-N 2.93Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 3.45Å; I153-C156 WeakPolarHBondContact O-CB 3.34Å; I153-C156 PolarHBondContact O-N 3.29Å; I153-C156 VanDerWaalsContact O-N 3.14Å; I153-F157 HydrophobicContact CG2-CD2 4Å; I153-F157 HydrophobicContact CG2-CE2 3.49Å; I153-F157 VanDerWaalsContact CG2-CE2 3.49Å; I153-F157 HydrophobicContact CG2-CZ 3.78Å; I153-F157 PolarHBondContact O-N 3.43Å; I153-Y192 HydrophobicContact CB-CE2 4.49Å; I153-Y192 HydrophobicContact CD1-CE2 3.86Å; I153-Y192 HydrophobicContact CG2-CD2 4Å; I153-Y192 HydrophobicContact CG2-CE2 3.9Å; I153-Y192 HydrophobicContact CG2-CG 4.37Å
154S90.4Very high86Confident4 Ų411 Ų113%0.0286%0.063CC..Hα-helixtrans-61.3-38.7174.8-58.40000111.5S150 G151 Q152 F157 A158S150-S154 PolarHBondContact O-N 3.25Å; S150-S154 PolarHBondContact O-OG 3.01Å; G151-S154 WeakPolarHBondContact O-CB 3.4Å; G151-S154 PolarHBondContact O-N 2.98Å; G151-S154 VanDerWaalsContact O-N 3.13Å; Q152-S154 VanDerWaalsContact C-N 3.35Å; S154-F157 PolarHBondContact O-N 3.28Å; S154-A158 PolarHBondContact O-N 3.1Å
155V89.3Confident84.9Confident2 Ų215.8 Ų15.81%0.0129%0.087CC..Hα-helixtrans-64.6-43.3172.4176.20000111.1R101 G151 Q152 I153 F157 A158 D159 F489R101-V155 VanDerWaalsContact CZ-CG1 3.49Å; G151-V155 WeakPolarHBondContact O-CG2 3.28Å; G151-V155 PolarHBondContact O-N 3.38Å; Q152-V155 WeakPolarHBondContact O-CB 3.46Å; Q152-V155 PolarHBondContact O-N 2.87Å; I153-V155 VanDerWaalsContact C-N 3.28Å; I153-V155 PolarHBondContact O-N 3.45Å; V155-F157 VanDerWaalsContact C-N 3.31Å; V155-F157 PolarHBondContact O-N 2.69Å; V155-A158 WeakPolarHBondContact O-CB 3.42Å; V155-A158 PolarHBondContact O-N 2.98Å; V155-A158 VanDerWaalsContact O-N 3.1Å; V155-D159 PolarHBondContact O-N 2.95Å; V155-F489 HydrophobicContact CG2-CB 3.89Å
156C88.6Confident83.5Confident2 Ų220.6 Ų20.61%0.01411%0.109CC..Hα-helixtrans-60.3-40.1175.2-66.60000112.2L12 Q152 I153 A158 D159 I160L12-C156 HydrophobicContact CD1-CB 3.73Å; Q152-C156 PolarHBondContact O-N 3.27Å; Q152-C156 PolarHBondContact O-SG 2.99Å; I153-C156 WeakPolarHBondContact O-CB 3.34Å; I153-C156 PolarHBondContact O-N 3.29Å; I153-C156 VanDerWaalsContact O-N 3.14Å; C156-A158 VanDerWaalsContact C-N 3.33Å; C156-D159 PolarHBondContact O-N 3.31Å; C156-I160 PolarHBondContact O-N 3.48Å; C156-I160 VanDerWaalsContact O-N 3.11Å
157F90Very high82.1Confident0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-66.3-35.4174.4-69.4-32.8000112.8A9 L12 V13 I153 S154 V155 I160 T161 Y188 M189 Y192A9-F157 HydrophobicContact CB-CE1 4.23Å; L12-F157 HydrophobicContact CB-CE1 4.48Å; L12-F157 HydrophobicContact CD1-CD1 4.47Å; L12-F157 HydrophobicContact CD1-CE1 4.21Å; V13-F157 HydrophobicContact CG2-CZ 4.13Å; I153-F157 HydrophobicContact CG2-CD2 4Å; I153-F157 HydrophobicContact CG2-CE2 3.49Å; I153-F157 VanDerWaalsContact CG2-CE2 3.49Å; I153-F157 HydrophobicContact CG2-CZ 3.78Å; I153-F157 PolarHBondContact O-N 3.43Å; S154-F157 PolarHBondContact O-N 3.28Å; V155-F157 VanDerWaalsContact C-N 3.31Å; V155-F157 PolarHBondContact O-N 2.69Å; F157-I160 HydrophobicContact CD1-CD1 3.94Å; F157-I160 WeakPolarHBondContact O-CG1 3.24Å; F157-T161 WeakPolarHBondContact O-CB 3.29Å; F157-T161 WeakPolarHBondContact O-CG2 3.5Å; F157-T161 PolarHBondContact O-N 3.03Å; F157-T161 PolarHBondContact O-OG1 3.15Å; F157-Y188 HydrophobicContact CD1-CD2 4.48Å; F157-M189 HydrophobicContact CB-CE 4.24Å; F157-M189 HydrophobicContact CD2-CG 4.01Å; F157-Y192 HydrophobicContact CE2-CD1 4.28Å; F157-Y192 HydrophobicContact CE2-CD2 4.4Å; F157-Y192 AromaticContact CE2-CG 3.84Å; F157-Y192 HydrophobicContact CE2-CG 3.84Å; F157-Y192 HydrophobicContact CZ-CG 4.33Å
158A85.4Confident80.6Confident0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-63.3-46.6172.100000110.6S154 V155 C156 I160 T161 K162 F489S154-A158 PolarHBondContact O-N 3.1Å; V155-A158 WeakPolarHBondContact O-CB 3.42Å; V155-A158 PolarHBondContact O-N 2.98Å; V155-A158 VanDerWaalsContact O-N 3.1Å; C156-A158 VanDerWaalsContact C-N 3.33Å; A158-I160 PolarHBondContact O-N 2.88Å; A158-T161 CarbonylContact O-C 3.51Å; A158-T161 PolarHBondContact O-N 2.72Å; A158-T161 PolarHBondContact O-OG1 3.24Å; A158-K162 WeakPolarHBondContact O-CG 3.35Å; A158-K162 PolarHBondContact O-N 2.91Å; A158-F489 HydrophobicContact CB-CD2 3.45Å; A158-F489 VanDerWaalsContact CB-CD2 3.45Å; A158-F489 HydrophobicContact CB-CE2 3.68Å; A158-F489 HydrophobicContact CB-CG 4.43Å
159D84Confident79Confident7 Ų730.2 Ų30.24%0.03717%0.168CC..Hα-helixtrans-59-43.6-179.3-71.3-19.8000111.9R101 V155 C156 T161 K162R101-D159 IonicContact CZ-OD2 2.63Å; R101-D159 IonicContact NE-OD2 2.77Å; R101-D159 PolarHBondContact NE-OD2 2.83Å; R101-D159 IonicContact NH2-OD1 2.76Å; R101-D159 IonicContact NH2-OD2 3.32Å; R101-D159 PolarHBondContact NH2-OD2 2.92Å; V155-D159 PolarHBondContact O-N 2.95Å; C156-D159 PolarHBondContact O-N 3.31Å; D159-T161 VanDerWaalsContact C-N 3.26Å; D159-T161 PolarHBondContact O-N 3.42Å; D159-K162 WeakPolarHBondContact OD1-CE 3.47Å; D159-K162 IonicContact OD1-NZ 3.06Å; D159-K162 PolarHBondContact OD1-NZ 3.44Å
160I84.5Confident77.4Confident3 Ų337.2 Ų37.22%0.01521%0.205CC..THydrogen-bonded Turntrans-77-3176.370176.3000114.6I8 A9 C156 F157 A158 R184 Y188I8-I160 HydrophobicContact CG2-CG2 4.32Å; A9-I160 HydrophobicContact CB-CD1 3.95Å; C156-I160 PolarHBondContact O-N 3.48Å; C156-I160 VanDerWaalsContact O-N 3.11Å; F157-I160 HydrophobicContact CD1-CD1 3.94Å; F157-I160 WeakPolarHBondContact O-CG1 3.24Å; A158-I160 PolarHBondContact O-N 2.88Å; I160-R184 PolarHBondContact O-NH2 2.52Å; I160-R184 VanDerWaalsContact O-NH2 3.17Å; I160-Y188 HydrophobicContact CD1-CD2 3.89Å; I160-Y188 HydrophobicContact CD1-CE2 3.76Å; I160-Y188 HydrophobicContact CG1-CD2 4.46Å; I160-Y188 HydrophobicContact CG1-CE2 4.32Å
161T83.6Confident76Confident2 Ų239.7 Ų39.71%0.01222%0.216CC..THydrogen-bonded Turntrans-119.816.5179.257.60000113.9F157 A158 D159 R184 R185 Y188F157-T161 WeakPolarHBondContact O-CB 3.29Å; F157-T161 WeakPolarHBondContact O-CG2 3.5Å; F157-T161 PolarHBondContact O-N 3.03Å; F157-T161 PolarHBondContact O-OG1 3.15Å; A158-T161 CarbonylContact O-C 3.51Å; A158-T161 PolarHBondContact O-N 2.72Å; A158-T161 PolarHBondContact O-OG1 3.24Å; D159-T161 VanDerWaalsContact C-N 3.26Å; D159-T161 PolarHBondContact O-N 3.42Å; T161-R184 HydrophobicContact CG2-CG 4.44Å; T161-R185 HydrophobicContact CG2-CB 4.02Å; T161-Y188 HydrophobicContact CG2-CD2 4.03Å; T161-Y188 HydrophobicContact CG2-CE2 4.03Å
162K77.1Confident74.5Confident43 Ų4345.4 Ų45.419%0.18725%0.246CC..PPolyproline II helixtrans-78.6152.5173.9-79.3168.5-178.5175.20112.4A158 D159 S482 S486A158-K162 WeakPolarHBondContact O-CG 3.35Å; A158-K162 PolarHBondContact O-N 2.91Å; D159-K162 WeakPolarHBondContact OD1-CE 3.47Å; D159-K162 IonicContact OD1-NZ 3.06Å; D159-K162 PolarHBondContact OD1-NZ 3.44Å; K162-S482 WeakPolarHBondContact CE-O 3.02Å; K162-S486 PolarHBondContact NZ-OG 3.45Å
163I69.4Low73.3Confident29 Ų2947.5 Ų47.515%0.14926%0.258CS..PPolyproline II helixtrans-87.8132.4163.7-57172.3000106.5D165 Q167 A168 Q177 Q178 L181I163-D165 PolarHBondContact O-N 2.99Å; I163-Q167 HydrophobicContact CG2-CB 4.42Å; I163-A168 HydrophobicContact CG2-CB 4.48Å; I163-Q177 HydrophobicContact CD1-CG 4.5Å; I163-Q178 HydrophobicContact CD1-CB 4.32Å; I163-L181 HydrophobicContact CB-CD1 4.42Å; I163-L181 HydrophobicContact CD1-CD1 3.9Å; I163-L181 HydrophobicContact CG1-CD1 3.17Å
164P66.5Low72.3Confident45 Ų4549.7 Ų49.729%0.29227%0.273SS..PPolyproline II helixtrans-57.1133.7171-21.332000110.8E166 Q167 A168P164-E166 PolarHBondContact O-N 3.45Å; P164-E166 VanDerWaalsContact O-N 3.16Å; P164-Q167 HydrophobicContact CB-CG 4.47Å; P164-Q167 PolarHBondContact O-N 2.99Å; P164-A168 PolarHBondContact O-N 3.48Å
165D60.3Low71.5Confident101 Ų10153.7 Ų53.754%0.5429%0.29SS..G310 helixtrans-57.4-33.4-174.1-77.6-19000112.4I163 Q167 A168 P169I163-D165 PolarHBondContact O-N 2.99Å; D165-Q167 VanDerWaalsContact C-N 3.34Å; D165-Q167 PolarHBondContact O-N 3.36Å; D165-A168 PolarHBondContact O-N 3.35Å; D165-P169 WeakPolarHBondContact O-CD 3.22Å
166E59.7Low70.8Confident104 Ų10455 Ų5549%0.48630%0.299SS..G310 helixtrans-66.8-30.2177.8-65.4175.6-175.100113.5P164 S251P164-E166 PolarHBondContact O-N 3.45Å; P164-E166 VanDerWaalsContact O-N 3.16Å; E166-S251 PolarHBondContact OE1-OG 3.16Å; E166-S251 VanDerWaalsContact OE1-OG 3.07Å; E166-S251 WeakPolarHBondContact OE2-CB 3.31Å; E166-S251 PolarHBondContact OE2-OG 3.39Å
167Q60.8Low70.3Confident113 Ų11359.1 Ų59.153%0.52832%0.318SS..G310 helixtrans-89.1-13.7-178.9-67.5178.6-2.200112.9I163 P164 D165I163-Q167 HydrophobicContact CG2-CB 4.42Å; P164-Q167 HydrophobicContact CB-CG 4.47Å; P164-Q167 PolarHBondContact O-N 2.99Å; D165-Q167 VanDerWaalsContact C-N 3.34Å; D165-Q167 PolarHBondContact O-N 3.36Å
168A58.1Low69.7Low37 Ų3761.7 Ų61.731%0.30633%0.33SS..THydrogen-bonded Turntrans-63.7-46.6-175.400000114.3I163 P164 D165I163-A168 HydrophobicContact CG2-CB 4.48Å; P164-A168 PolarHBondContact O-N 3.48Å; D165-A168 PolarHBondContact O-N 3.35Å
169P57.1Low69.4Low110 Ų11061.9 Ų61.971%0.71433%0.331SS*.THydrogen-bonded Turntrans-80.6-26.1179.229.6-32.9000113.7D165 L171D165-P169 WeakPolarHBondContact O-CD 3.22Å; P169-L171 VanDerWaalsContact C-N 3.28Å; P169-L171 PolarHBondContact O-N 3.33Å
170L57.7Low69.3Low148 Ų14863.7 Ų63.778%0.77534%0.344SS*.THydrogen-bonded Turntrans-76.8-12.1-176.3-64.9174.4000113.6
171L60.5Low69.2Low70 Ų7064.2 Ų64.237%0.36635%0.347SS..  trans-95.9105.7-171.8-142.379.7000112.1P169 N173 S174 Q177P169-L171 VanDerWaalsContact C-N 3.28Å; P169-L171 PolarHBondContact O-N 3.33Å; L171-N173 PolarHBondContact O-N 2.91Å; L171-S174 WeakPolarHBondContact O-CB 3.38Å; L171-S174 PolarHBondContact O-N 2.92Å; L171-Q177 HydrophobicContact CD2-CB 3.81Å; L171-Q177 HydrophobicContact CD2-CG 3.99Å
172D59.5Low69.1Low123 Ų12364.3 Ų64.366%0.65835%0.347SS*.THydrogen-bonded Turntrans-50.9-25.5169.9-175.542.9000112.7
173N66.4Low69.6Low54 Ų5464.7 Ų64.729%0.28935%0.348SS..THydrogen-bonded Turntrans-10724.7179.5-69.1-74.9000114.7L171 K175 C176 Q177L171-N173 PolarHBondContact O-N 2.91Å; N173-K175 VanDerWaalsContact C-N 3.31Å; N173-K175 PolarHBondContact O-N 3.09Å; N173-C176 PolarHBondContact O-N 3.34Å; N173-C176 VanDerWaalsContact O-N 3.1Å; N173-Q177 PolarHBondContact O-N 3.4Å
174S70.2Confident70.5Confident46 Ų4666.4 Ų66.432%0.32235%0.352SS..Hα-helixtrans-48.9-44.5-175.260.60000114L171 Q177 Q178L171-S174 WeakPolarHBondContact O-CB 3.38Å; L171-S174 PolarHBondContact O-N 2.92Å; S174-Q177 PolarHBondContact O-N 3.46Å; S174-Q178 WeakPolarHBondContact O-CB 3.35Å; S174-Q178 PolarHBondContact O-N 3.46Å
175K72.6Confident71.6Confident88 Ų8864.3 Ų64.338%0.38334%0.339SS..Hα-helixtrans-66.1-41.1179.7-65.6-172.9-178.5-174.40113.5N173 Q177 Q178 A179 I411 Q412N173-K175 VanDerWaalsContact C-N 3.31Å; N173-K175 PolarHBondContact O-N 3.09Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; K175-Q178 PolarHBondContact O-N 2.68Å; K175-A179 WeakPolarHBondContact O-CB 3.42Å; K175-A179 PolarHBondContact O-N 2.86Å; K175-I411 HydrophobicContact CB-CG2 4.24Å; K175-Q412 HydrophobicContact CD-CG 3.78Å
176C75.1Confident73.2Confident29 Ų2959.5 Ų59.520%0.19631%0.313CS..Hα-helixtrans-67.8-39.5177.2-176.40000110.7N173 A179 S180 I411N173-C176 PolarHBondContact O-N 3.34Å; N173-C176 VanDerWaalsContact O-N 3.1Å; C176-A179 PolarHBondContact O-N 2.89Å; C176-S180 PolarHBondContact O-N 3.08Å; C176-I411 HydrophobicContact CB-CG2 4.4Å
177Q78Confident74.7Confident89 Ų8956.2 Ų56.242%0.41630%0.302SS..Hα-helixtrans-63.9-45.9175.5-171.167.52.700111I163 L171 N173 S174 K175 A179 S180 L181I163-Q177 HydrophobicContact CD1-CG 4.5Å; L171-Q177 HydrophobicContact CD2-CB 3.81Å; L171-Q177 HydrophobicContact CD2-CG 3.99Å; N173-Q177 PolarHBondContact O-N 3.4Å; S174-Q177 PolarHBondContact O-N 3.46Å; K175-Q177 VanDerWaalsContact C-N 3.34Å; Q177-A179 PolarHBondContact O-N 3.42Å; Q177-S180 WeakPolarHBondContact O-CB 3.48Å; Q177-S180 PolarHBondContact O-N 3.04Å; Q177-S180 VanDerWaalsContact O-N 3.08Å; Q177-S180 PolarHBondContact O-OG 3.05Å; Q177-L181 PolarHBondContact O-N 3.16Å
178Q77.6Confident76.2Confident55 Ų5552 Ų5226%0.25728%0.281SS..Hα-helixtrans-57-48174.9-175.5-179.9-16.800111.5I163 S174 K175 S180 L181 E182 S478I163-Q178 HydrophobicContact CD1-CB 4.32Å; S174-Q178 WeakPolarHBondContact O-CB 3.35Å; S174-Q178 PolarHBondContact O-N 3.46Å; K175-Q178 PolarHBondContact O-N 2.68Å; Q178-S180 PolarHBondContact O-N 2.94Å; Q178-L181 PolarHBondContact O-N 3.21Å; Q178-L181 VanDerWaalsContact O-N 3.11Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.43Å; Q178-E182 PolarHBondContact NE2-OE1 3.13Å; Q178-E182 VanDerWaalsContact O-CG 3.29Å; Q178-E182 WeakPolarHBondContact O-CG 3.33Å; Q178-E182 PolarHBondContact O-N 3.06Å; Q178-S478 PolarHBondContact NE2-O 3.2Å
179A78.1Confident77.8Confident4 Ų450.5 Ų50.53%0.03327%0.268CS..Hα-helixtrans-61.2-31.4176.600000113.1K175 C176 Q177 R183 V364 V415K175-A179 WeakPolarHBondContact O-CB 3.42Å; K175-A179 PolarHBondContact O-N 2.86Å; C176-A179 PolarHBondContact O-N 2.89Å; Q177-A179 PolarHBondContact O-N 3.42Å; A179-R183 WeakPolarHBondContact O-CB 3.08Å; A179-R183 PolarHBondContact O-N 3.29Å; A179-V364 HydrophobicContact CB-CG2 4.27Å; A179-V415 HydrophobicContact CB-CG2 4.15Å
180S81.9Confident79.5Confident44 Ų4445.2 Ų45.231%0.30823%0.234SC..Hα-helixtrans-70.5-37175.384.10000112.6C176 Q177 Q178 R183 R184C176-S180 PolarHBondContact O-N 3.08Å; Q177-S180 WeakPolarHBondContact O-CB 3.48Å; Q177-S180 PolarHBondContact O-N 3.04Å; Q177-S180 VanDerWaalsContact O-N 3.08Å; Q177-S180 PolarHBondContact O-OG 3.05Å; Q178-S180 PolarHBondContact O-N 2.94Å; S180-R183 WeakPolarHBondContact O-CB 3.36Å; S180-R183 PolarHBondContact O-N 3.38Å; S180-R184 PolarHBondContact O-N 3.49Å; S180-R184 VanDerWaalsContact O-N 3.08Å
181L83.3Confident81.2Confident15 Ų1541.3 Ų41.38%0.07921%0.213CC..Hα-helixtrans-74-39.5177.2-70.8169.4000111.9I163 Q177 Q178 R183 R184 R185I163-L181 HydrophobicContact CB-CD1 4.42Å; I163-L181 HydrophobicContact CD1-CD1 3.9Å; I163-L181 HydrophobicContact CG1-CD1 3.17Å; Q177-L181 PolarHBondContact O-N 3.16Å; Q178-L181 PolarHBondContact O-N 3.21Å; Q178-L181 VanDerWaalsContact O-N 3.11Å; L181-R183 VanDerWaalsContact C-N 3.28Å; L181-R183 PolarHBondContact O-N 3.08Å; L181-R184 WeakPolarHBondContact O-CB 3.29Å; L181-R184 PolarHBondContact O-N 3.34Å; L181-R184 VanDerWaalsContact O-N 3.11Å; L181-R185 WeakPolarHBondContact O-CB 3.47Å; L181-R185 PolarHBondContact O-N 2.94Å
182E82.4Confident82.8Confident3 Ų338.6 Ų38.61%0.01420%0.198CC..Hα-helixtrans-55.4-45.9171-69.8170.5-170.400110.9Q178 R184 R185 L186 M362 R419 S474 S478Q178-E182 WeakPolarHBondContact CG-OE1 3.43Å; Q178-E182 PolarHBondContact NE2-OE1 3.13Å; Q178-E182 VanDerWaalsContact O-CG 3.29Å; Q178-E182 WeakPolarHBondContact O-CG 3.33Å; Q178-E182 PolarHBondContact O-N 3.06Å; E182-R184 VanDerWaalsContact C-N 3.34Å; E182-R184 PolarHBondContact O-N 2.83Å; E182-R185 PolarHBondContact O-N 3.41Å; E182-L186 PolarHBondContact O-N 3.41Å; E182-M362 HydrophobicContact CB-CE 3.68Å; E182-M362 WeakPolarHBondContact OE2-CE 3.5Å; E182-R419 IonicContact OE1-NH2 3.71Å; E182-S474 PolarHBondContact O-OG 3.17Å; E182-S478 WeakPolarHBondContact OE1-CA 3.29Å; E182-S478 WeakPolarHBondContact OE1-CB 3.38Å; E182-S478 VanDerWaalsContact OE2-CB 3.24Å; E182-S478 WeakPolarHBondContact OE2-CB 3.5Å
183R86.9Confident84.4Confident51 Ų5134.7 Ų34.719%0.19218%0.177CC..Hα-helixtrans-60.8-43.4175.7-177.1-174.4-50.8138.724.8112A179 S180 L181 L186 S187 T359 M362 K363A179-R183 WeakPolarHBondContact O-CB 3.08Å; A179-R183 PolarHBondContact O-N 3.29Å; S180-R183 WeakPolarHBondContact O-CB 3.36Å; S180-R183 PolarHBondContact O-N 3.38Å; L181-R183 VanDerWaalsContact C-N 3.28Å; L181-R183 PolarHBondContact O-N 3.08Å; R183-L186 PolarHBondContact O-N 3.23Å; R183-S187 PolarHBondContact O-N 2.88Å; R183-T359 VanDerWaalsContact CD-O 3.3Å; R183-T359 WeakPolarHBondContact CD-O 3.39Å; R183-T359 HydrophobicContact CG-CG2 3.39Å; R183-T359 PolarHBondContact NE-O 3.37Å; R183-M362 HydrophobicContact CB-SD 4.1Å; R183-M362 PolarHBondContact NH2-O 2.93Å; R183-K363 VanDerWaalsContact CZ-CA 3.47Å; R183-K363 VanDerWaalsContact NH2-CA 3.28Å
184R88.6Confident85.7Confident65 Ų6532.1 Ų32.125%0.24516%0.163CC..Hα-helixtrans-64.3-42.4179-171.816772163.413.9111.4E5 I160 T161 S180 L181 E182 S187 Y188E5-R184 VanDerWaalsContact CD-NH2 3.26Å; E5-R184 IonicContact OE1-CZ 3Å; E5-R184 IonicContact OE1-NH1 2.7Å; E5-R184 IonicContact OE1-NH2 3.17Å; E5-R184 PolarHBondContact OE1-NH2 2.8Å; E5-R184 IonicContact OE2-CZ 2.67Å; E5-R184 IonicContact OE2-NH1 2.7Å; E5-R184 PolarHBondContact OE2-NH1 2.85Å; E5-R184 IonicContact OE2-NH2 2.72Å; E5-R184 PolarHBondContact OE2-NH2 2.84Å; E5-R184 VanDerWaalsContact OE2-NH2 3.12Å; I160-R184 PolarHBondContact O-NH2 2.52Å; I160-R184 VanDerWaalsContact O-NH2 3.17Å; T161-R184 HydrophobicContact CG2-CG 4.44Å; S180-R184 PolarHBondContact O-N 3.49Å; S180-R184 VanDerWaalsContact O-N 3.08Å; L181-R184 WeakPolarHBondContact O-CB 3.29Å; L181-R184 PolarHBondContact O-N 3.34Å; L181-R184 VanDerWaalsContact O-N 3.11Å; E182-R184 VanDerWaalsContact C-N 3.34Å; E182-R184 PolarHBondContact O-N 2.83Å; R184-S187 WeakPolarHBondContact O-CB 3.23Å; R184-S187 PolarHBondContact O-N 3.42Å; R184-Y188 HydrophobicContact CG-CD2 4.36Å; R184-Y188 HydrophobicContact CG-CE1 4.43Å; R184-Y188 HydrophobicContact CG-CE2 3.74Å; R184-Y188 PolarHBondContact O-N 3.36Å
185R90.1Very high86.8Confident1 Ų131.1 Ų31.10%0.00416%0.155CC..Hα-helixtrans-63.3-45.4175.9-174.7177.459.5-137.2-0.5112T161 L181 E182 S187 Y188 M189 S474 S477T161-R185 HydrophobicContact CG2-CB 4.02Å; L181-R185 WeakPolarHBondContact O-CB 3.47Å; L181-R185 PolarHBondContact O-N 2.94Å; E182-R185 PolarHBondContact O-N 3.41Å; R185-S187 VanDerWaalsContact C-N 3.29Å; R185-S187 PolarHBondContact O-N 2.96Å; R185-Y188 PolarHBondContact O-N 2.94Å; R185-M189 HydrophobicContact CG-CE 3.7Å; R185-M189 HydrophobicContact CG-SD 4.04Å; R185-M189 WeakPolarHBondContact O-CG 3.33Å; R185-M189 PolarHBondContact O-N 3.17Å; R185-S474 PolarHBondContact NH2-O 3.4Å; R185-S477 VanDerWaalsContact CZ-CB 3.42Å; R185-S477 PolarHBondContact NH1-OG 3.47Å; R185-S477 PolarHBondContact NH2-OG 3.42Å; R185-S477 VanDerWaalsContact NH2-OG 3.12Å
186L91.9Very high87.8Confident1 Ų127.4 Ų27.41%0.00514%0.14CC..Hα-helixtrans-56-45.8173.2176.357.9000111.1E182 R183 Y188 M189 G190 M422 P470 V471E182-L186 PolarHBondContact O-N 3.41Å; R183-L186 PolarHBondContact O-N 3.23Å; L186-Y188 VanDerWaalsContact C-N 3.34Å; L186-Y188 PolarHBondContact O-N 3.11Å; L186-M189 PolarHBondContact O-N 2.81Å; L186-G190 PolarHBondContact O-N 3.44Å; L186-M422 HydrophobicContact CD2-CE 4.42Å; L186-P470 HydrophobicContact CD1-CB 4.4Å; L186-V471 HydrophobicContact CD1-CB 4.42Å; L186-V471 HydrophobicContact CD1-CG2 3.81Å; L186-V471 HydrophobicContact CD2-CG2 4.48Å
187S91.8Very high88.7Confident35 Ų3527.7 Ų27.725%0.24514%0.141CC..Hα-helixtrans-60.4-42.8177.9-173.80000112R183 R184 R185 I191R183-S187 PolarHBondContact O-N 2.88Å; R184-S187 WeakPolarHBondContact O-CB 3.23Å; R184-S187 PolarHBondContact O-N 3.42Å; R185-S187 VanDerWaalsContact C-N 3.29Å; R185-S187 PolarHBondContact O-N 2.96Å; S187-I191 VanDerWaalsContact O-CB 3.32Å; S187-I191 WeakPolarHBondContact O-CB 3.28Å; S187-I191 WeakPolarHBondContact O-CD1 3.21Å; S187-I191 WeakPolarHBondContact O-CG1 3.28Å; S187-I191 PolarHBondContact O-N 3.29Å
188Y92.6Very high89.4Confident24 Ų2425.8 Ų25.89%0.09413%0.133CC..Hα-helixtrans-66.7-44.7177.2-65.1-26.9000112.3R6 A9 F157 I160 T161 R184 R185 L186 I191 Y192R6-Y188 WeakPolarHBondContact CG-OH 3.33Å; A9-Y188 HydrophobicContact CB-CD1 4.33Å; A9-Y188 HydrophobicContact CB-CE1 4.26Å; A9-Y188 HydrophobicContact CB-CE2 4.49Å; F157-Y188 HydrophobicContact CD1-CD2 4.48Å; I160-Y188 HydrophobicContact CD1-CD2 3.89Å; I160-Y188 HydrophobicContact CD1-CE2 3.76Å; I160-Y188 HydrophobicContact CG1-CD2 4.46Å; I160-Y188 HydrophobicContact CG1-CE2 4.32Å; T161-Y188 HydrophobicContact CG2-CD2 4.03Å; T161-Y188 HydrophobicContact CG2-CE2 4.03Å; R184-Y188 HydrophobicContact CG-CD2 4.36Å; R184-Y188 HydrophobicContact CG-CE1 4.43Å; R184-Y188 HydrophobicContact CG-CE2 3.74Å; R184-Y188 PolarHBondContact O-N 3.36Å; R185-Y188 PolarHBondContact O-N 2.94Å; L186-Y188 VanDerWaalsContact C-N 3.34Å; L186-Y188 PolarHBondContact O-N 3.11Å; Y188-I191 PolarHBondContact O-N 3.08Å; Y188-Y192 VanDerWaalsContact O-CB 3.26Å; Y188-Y192 WeakPolarHBondContact O-CB 3.49Å; Y188-Y192 PolarHBondContact O-N 2.9Å
189M92.2Very high90.2Very high5 Ų523.6 Ų23.63%0.02512%0.124CC..Hα-helixtrans-64.8-41.5178.7-71.9176.5176.300112.5F157 R185 L186 Y192 D193 P470 K473 F489F157-M189 HydrophobicContact CB-CE 4.24Å; F157-M189 HydrophobicContact CD2-CG 4.01Å; R185-M189 HydrophobicContact CG-CE 3.7Å; R185-M189 HydrophobicContact CG-SD 4.04Å; R185-M189 WeakPolarHBondContact O-CG 3.33Å; R185-M189 PolarHBondContact O-N 3.17Å; L186-M189 PolarHBondContact O-N 2.81Å; M189-Y192 PolarHBondContact O-N 3.4Å; M189-D193 VanDerWaalsContact O-CB 3.27Å; M189-D193 WeakPolarHBondContact O-CB 3.37Å; M189-D193 PolarHBondContact O-N 2.82Å; M189-P470 HydrophobicContact CB-CB 3.74Å; M189-K473 HydrophobicContact SD-CB 4.1Å; M189-F489 HydrophobicContact CE-CD1 4.09Å; M189-F489 HydrophobicContact CE-CE1 3.28Å; M189-F489 HydrophobicContact CE-CE2 4.21Å; M189-F489 HydrophobicContact CE-CZ 3.38Å; M189-F489 HydrophobicContact SD-CE1 4.1Å; M189-F489 HydrophobicContact SD-CZ 4.29Å
190G93.1Very high90.8Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-72.4-35.4178.600000113.3L186 G194 S351 T355L186-G190 PolarHBondContact O-N 3.44Å; G190-G194 PolarHBondContact O-N 2.99Å; G190-S351 PolarHBondContact O-OG 3.1Å; G190-T355 WeakPolarHBondContact CA-OG1 3.43Å
191I93.1Very high91.3Very high65 Ų6522.2 Ų22.233%0.33311%0.114SC..Hα-helixtrans-63.2-47.2170.4-73167.6000110.2S187 Y188 G194 V195 F352S187-I191 VanDerWaalsContact O-CB 3.32Å; S187-I191 WeakPolarHBondContact O-CB 3.28Å; S187-I191 WeakPolarHBondContact O-CD1 3.21Å; S187-I191 WeakPolarHBondContact O-CG1 3.28Å; S187-I191 PolarHBondContact O-N 3.29Å; Y188-I191 PolarHBondContact O-N 3.08Å; I191-G194 PolarHBondContact O-N 3.35Å; I191-V195 HydrophobicContact CG2-CG2 4.45Å; I191-V195 VanDerWaalsContact O-CG2 3.31Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 3.17Å; I191-F352 HydrophobicContact CB-CE1 4.33Å; I191-F352 HydrophobicContact CG1-CD1 4.31Å; I191-F352 HydrophobicContact CG1-CE1 4.35Å; I191-F352 HydrophobicContact CG2-CE1 4.15Å
192Y93.4Very high91.6Very high14 Ų1424.4 Ų24.46%0.05514%0.135CC..Hα-helixtrans-57.5-51.4176.7161.1-103.2000111.9T16 S150 I153 F157 Y188 M189 G194 V195 C196T16-Y192 HydrophobicContact CG2-CD2 4.31Å; T16-Y192 HydrophobicContact CG2-CE2 3.71Å; S150-Y192 WeakPolarHBondContact CA-OH 3.31Å; S150-Y192 VanDerWaalsContact CB-OH 3.24Å; S150-Y192 WeakPolarHBondContact CB-OH 3.27Å; S150-Y192 PolarHBondContact OG-OH 3.4Å; I153-Y192 HydrophobicContact CB-CE2 4.49Å; I153-Y192 HydrophobicContact CD1-CE2 3.86Å; I153-Y192 HydrophobicContact CG2-CD2 4Å; I153-Y192 HydrophobicContact CG2-CE2 3.9Å; I153-Y192 HydrophobicContact CG2-CG 4.37Å; F157-Y192 HydrophobicContact CE2-CD1 4.28Å; F157-Y192 HydrophobicContact CE2-CD2 4.4Å; F157-Y192 AromaticContact CE2-CG 3.84Å; F157-Y192 HydrophobicContact CE2-CG 3.84Å; F157-Y192 HydrophobicContact CZ-CG 4.33Å; Y188-Y192 VanDerWaalsContact O-CB 3.26Å; Y188-Y192 WeakPolarHBondContact O-CB 3.49Å; Y188-Y192 PolarHBondContact O-N 2.9Å; M189-Y192 PolarHBondContact O-N 3.4Å; Y192-G194 PolarHBondContact O-N 2.98Å; Y192-V195 PolarHBondContact O-N 2.74Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.09Å; Y192-C196 PolarHBondContact O-N 2.79Å; Y192-C196 PolarHBondContact O-SG 3.5Å; Y192-C196 VanDerWaalsContact O-SG 3.41Å
193D92.4Very high92.1Very high40 Ų4024.9 Ų24.921%0.21414%0.138CC..Hα-helixtrans-58.1-47.4178.4-175.364.5000111.2M189 V195 C196 V197 S351 P470M189-D193 VanDerWaalsContact O-CB 3.27Å; M189-D193 WeakPolarHBondContact O-CB 3.37Å; M189-D193 PolarHBondContact O-N 2.82Å; D193-V195 PolarHBondContact O-N 3.17Å; D193-C196 PolarHBondContact O-N 3.45Å; D193-V197 VanDerWaalsContact O-CG2 3.27Å; D193-V197 WeakPolarHBondContact O-CG2 2.97Å; D193-V197 PolarHBondContact O-N 3.29Å; D193-S351 PolarHBondContact OD2-OG 3.06Å; D193-P470 HydrophobicContact CB-CG 4.39Å
194G94.3Very high92.2Very high0 Ų022.9 Ų22.90%013%0.132CC..Hα-helixtrans-59.2-44.2175.700000113.6G190 I191 Y192 V197 L198G190-G194 PolarHBondContact O-N 2.99Å; I191-G194 PolarHBondContact O-N 3.35Å; Y192-G194 PolarHBondContact O-N 2.98Å; G194-V197 PolarHBondContact O-N 3.25Å; G194-L198 WeakPolarHBondContact O-CB 3.04Å; G194-L198 WeakPolarHBondContact O-CG 3.08Å; G194-L198 PolarHBondContact O-N 3.04Å
195V94.5Very high92.3Very high26 Ų2621.1 Ų21.116%0.15813%0.13CC..Hα-helixtrans-64.7-45177.2170.70000111.2V13 M17 I191 Y192 D193 V197 L198 A199 F352V13-V195 HydrophobicContact CG1-CB 3.93Å; V13-V195 HydrophobicContact CG1-CG1 3.86Å; V13-V195 HydrophobicContact CG1-CG2 3.73Å; M17-V195 HydrophobicContact CB-CG1 3.69Å; M17-V195 HydrophobicContact CG-CG1 3.74Å; M17-V195 HydrophobicContact SD-CG1 4.32Å; I191-V195 HydrophobicContact CG2-CG2 4.45Å; I191-V195 VanDerWaalsContact O-CG2 3.31Å; I191-V195 WeakPolarHBondContact O-CG2 3.26Å; I191-V195 PolarHBondContact O-N 3.17Å; Y192-V195 PolarHBondContact O-N 2.74Å; D193-V195 PolarHBondContact O-N 3.17Å; V195-V197 VanDerWaalsContact C-N 3.33Å; V195-V197 PolarHBondContact O-N 3.03Å; V195-L198 PolarHBondContact O-N 2.88Å; V195-A199 VanDerWaalsContact O-CB 3.29Å; V195-A199 WeakPolarHBondContact O-CB 2.98Å; V195-A199 PolarHBondContact O-N 3.33Å; V195-F352 HydrophobicContact CG2-CE1 4.14Å; V195-F352 HydrophobicContact CG2-CZ 3.68Å
196C93Very high92.5Very high9 Ų925 Ų256%0.06115%0.154CC..Hα-helixtrans-60.9-44.1178.6-74.30000111.5Q20 Y192 D193 A199 S200Q20-C196 HydrophobicContact CG-CB 3.95Å; Q20-C196 WeakPolarHBondContact CG-O 3.49Å; Y192-C196 WeakPolarHBondContact CE2-SG 3.09Å; Y192-C196 PolarHBondContact O-N 2.79Å; Y192-C196 PolarHBondContact O-SG 3.5Å; Y192-C196 VanDerWaalsContact O-SG 3.41Å; D193-C196 PolarHBondContact O-N 3.45Å; C196-A199 PolarHBondContact O-N 3.39Å; C196-S200 PolarHBondContact O-N 3.34Å; C196-S200 PolarHBondContact O-OG 3.39Å
197V93.4Very high92.5Very high36 Ų3625 Ų2522%0.21815%0.154CC..Hα-helixtrans-67.7-39.7179.51770000111.4D193 G194 V195 S200 A201 S344 L347D193-V197 VanDerWaalsContact O-CG2 3.27Å; D193-V197 WeakPolarHBondContact O-CG2 2.97Å; D193-V197 PolarHBondContact O-N 3.29Å; G194-V197 PolarHBondContact O-N 3.25Å; V195-V197 VanDerWaalsContact C-N 3.33Å; V195-V197 PolarHBondContact O-N 3.03Å; V197-S200 PolarHBondContact O-N 3.17Å; V197-A201 WeakPolarHBondContact O-CB 2.97Å; V197-A201 PolarHBondContact O-N 3.2Å; V197-S344 WeakPolarHBondContact CG1-O 3.4Å; V197-L347 HydrophobicContact CG1-CB 3.86Å
198L93.4Very high92.4Very high49 Ų4923.4 Ų23.426%0.25714%0.142SC..Hα-helixtrans-65.7-39.5173.9-74.1-173.6000112.9G194 V195 S200 A201 A202 T345 L349 F352G194-L198 WeakPolarHBondContact O-CB 3.04Å; G194-L198 WeakPolarHBondContact O-CG 3.08Å; G194-L198 PolarHBondContact O-N 3.04Å; V195-L198 PolarHBondContact O-N 2.88Å; L198-S200 VanDerWaalsContact C-N 3.35Å; L198-A201 VanDerWaalsContact O-CB 3.29Å; L198-A201 WeakPolarHBondContact O-CB 3.27Å; L198-A201 PolarHBondContact O-N 2.97Å; L198-A201 VanDerWaalsContact O-N 3.15Å; L198-A202 PolarHBondContact O-N 3.44Å; L198-T345 HydrophobicContact CD2-CG2 4.41Å; L198-L349 HydrophobicContact CD2-CG 4.26Å; L198-F352 HydrophobicContact CD1-CD2 4.46Å; L198-F352 HydrophobicContact CD1-CE2 3.59Å; L198-F352 HydrophobicContact CD1-CZ 4.38Å; L198-F352 HydrophobicContact CG-CE2 4.29Å
199A93.3Very high92.3Very high9 Ų924 Ų247%0.07415%0.148CC..Hα-helixtrans-60.7-46.5175.500000110.8M17 Q20 V195 C196 A201 A202 V203M17-A199 HydrophobicContact CG-CB 3.93Å; Q20-A199 HydrophobicContact CG-CB 4.41Å; V195-A199 VanDerWaalsContact O-CB 3.29Å; V195-A199 WeakPolarHBondContact O-CB 2.98Å; V195-A199 PolarHBondContact O-N 3.33Å; C196-A199 PolarHBondContact O-N 3.39Å; A199-A201 VanDerWaalsContact C-N 3.28Å; A199-A201 PolarHBondContact O-N 3.28Å; A199-A202 PolarHBondContact O-N 3.37Å; A199-V203 WeakPolarHBondContact O-CG2 3.25Å; A199-V203 PolarHBondContact O-N 3.48Å
200S91.8Very high92.2Very high17 Ų1725 Ų2512%0.11915%0.153CC..Hα-helixtrans-62.9-33.1173.1-69.90000113.2Q20 S24 C196 V197 L198 A204Q20-S200 WeakPolarHBondContact CG-OG 2.94Å; Q20-S200 PolarHBondContact NE2-OG 3.07Å; S24-S200 VanDerWaalsContact CB-OG 3.23Å; S24-S200 WeakPolarHBondContact CB-OG 3.32Å; S24-S200 WeakPolarHBondContact OG-CA 3.17Å; S24-S200 PolarHBondContact OG-OG 2.98Å; C196-S200 PolarHBondContact O-N 3.34Å; C196-S200 PolarHBondContact O-OG 3.39Å; V197-S200 PolarHBondContact O-N 3.17Å; L198-S200 VanDerWaalsContact C-N 3.35Å; S200-A204 VanDerWaalsContact O-CB 3.26Å; S200-A204 WeakPolarHBondContact O-CB 3.36Å; S200-A204 PolarHBondContact O-N 3.45Å
201A90.7Very high92.1Very high1 Ų125.2 Ų25.21%0.00815%0.154CC..Hα-helixtrans-63.8-51.8177.300000112.4V197 L198 A199 V203 A204 S205 T345V197-A201 WeakPolarHBondContact O-CB 2.97Å; V197-A201 PolarHBondContact O-N 3.2Å; L198-A201 VanDerWaalsContact O-CB 3.29Å; L198-A201 WeakPolarHBondContact O-CB 3.27Å; L198-A201 PolarHBondContact O-N 2.97Å; L198-A201 VanDerWaalsContact O-N 3.15Å; A199-A201 VanDerWaalsContact C-N 3.28Å; A199-A201 PolarHBondContact O-N 3.28Å; A201-V203 VanDerWaalsContact C-N 3.28Å; A201-V203 PolarHBondContact O-N 3.34Å; A201-A204 PolarHBondContact O-N 2.98Å; A201-S205 PolarHBondContact O-N 3.16Å; A201-T345 WeakPolarHBondContact CB-OG1 3.19Å
202A91.2Very high91.7Very high61 Ų6125.3 Ų25.350%0.50416%0.156SC..Hα-helixtrans-59.4-43.7-179.700000110.8L198 A199 V206L198-A202 PolarHBondContact O-N 3.44Å; A199-A202 PolarHBondContact O-N 3.37Å; A202-V206 WeakPolarHBondContact O-CB 3.39Å; A202-V206 WeakPolarHBondContact O-CG2 3.28Å; A202-V206 PolarHBondContact O-N 3.24Å; A202-V206 VanDerWaalsContact O-N 3.13Å
203V92.8Very high91.5Very high14 Ų1430.8 Ų30.89%0.08518%0.182CC..Hα-helixtrans-71.1-45.8-179.4179.60000111.9S21 A199 A201 S205 V206 T207 M223S21-V203 WeakPolarHBondContact O-CG1 3.46Å; A199-V203 WeakPolarHBondContact O-CG2 3.25Å; A199-V203 PolarHBondContact O-N 3.48Å; A201-V203 VanDerWaalsContact C-N 3.28Å; A201-V203 PolarHBondContact O-N 3.34Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 3.03Å; V203-V206 PolarHBondContact O-N 3.33Å; V203-T207 WeakPolarHBondContact CG1-OG1 3.18Å; V203-T207 VanDerWaalsContact O-CB 3.23Å; V203-T207 WeakPolarHBondContact O-CB 3.14Å; V203-T207 PolarHBondContact O-N 3.46Å; V203-T207 PolarHBondContact O-OG1 3.1Å; V203-M223 HydrophobicContact CG1-CE 3.88Å; V203-M223 HydrophobicContact CG1-SD 4.06Å
204A89.4Confident91.3Very high8 Ų836.3 Ų36.37%0.06620%0.201CC..Hα-helixtrans-59.7-40.6-179.200000112.7F28 S200 A201 G208F28-A204 HydrophobicContact CD2-CB 4.32Å; S200-A204 VanDerWaalsContact O-CB 3.26Å; S200-A204 WeakPolarHBondContact O-CB 3.36Å; S200-A204 PolarHBondContact O-N 3.45Å; A201-A204 PolarHBondContact O-N 2.98Å; A204-G208 PolarHBondContact O-N 2.93Å; A204-G208 VanDerWaalsContact O-N 3.08Å
205S90.6Very high91.1Very high28 Ų2837.6 Ų37.620%0.19621%0.213CC..Hα-helixtrans-66.2-47.9174.7-70.30000112.6A201 V203 G208 V209 G337 G341A201-S205 PolarHBondContact O-N 3.16Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 3.03Å; S205-G208 PolarHBondContact O-N 3.33Å; S205-V209 WeakPolarHBondContact O-CG2 3.11Å; S205-V209 PolarHBondContact O-N 3.34Å; S205-G337 PolarHBondContact OG-O 2.9Å; S205-G341 WeakPolarHBondContact OG-CA 3.35Å
206V92.7Very high91Very high84 Ų8437.3 Ų37.351%0.50921%0.21SC..Hα-helixtrans-65.4-44.1-179.2171.50000110.7A202 V203 G208 V209 L210A202-V206 WeakPolarHBondContact O-CB 3.39Å; A202-V206 WeakPolarHBondContact O-CG2 3.28Å; A202-V206 PolarHBondContact O-N 3.24Å; A202-V206 VanDerWaalsContact O-N 3.13Å; V203-V206 PolarHBondContact O-N 3.33Å; V206-G208 VanDerWaalsContact C-N 3.34Å; V206-G208 PolarHBondContact O-N 3.32Å; V206-V209 PolarHBondContact O-N 3.27Å; V206-L210 HydrophobicContact CG1-CD1 3.69Å; V206-L210 HydrophobicContact CG1-CG 4.1Å; V206-L210 WeakPolarHBondContact O-CB 3.27Å; V206-L210 VanDerWaalsContact O-CG 3.22Å; V206-L210 WeakPolarHBondContact O-CG 3.5Å; V206-L210 PolarHBondContact O-N 3.15Å
207T92.5Very high91Very high1 Ų140.9 Ų40.91%0.00623%0.228CC..Hα-helixtrans-62.1-39.4177.9-59.20000111.7F28 L29 V203 L210 I211 T219F28-T207 HydrophobicContact CD1-CG2 3.7Å; F28-T207 HydrophobicContact CE1-CG2 4.33Å; L29-T207 HydrophobicContact CB-CG2 4.26Å; V203-T207 WeakPolarHBondContact CG1-OG1 3.18Å; V203-T207 VanDerWaalsContact O-CB 3.23Å; V203-T207 WeakPolarHBondContact O-CB 3.14Å; V203-T207 PolarHBondContact O-N 3.46Å; V203-T207 PolarHBondContact O-OG1 3.1Å; T207-L210 PolarHBondContact O-N 3.41Å; T207-I211 HydrophobicContact CG2-CD1 3.9Å; T207-I211 HydrophobicContact CG2-CG1 4.43Å; T207-I211 WeakPolarHBondContact O-CD1 3.27Å; T207-I211 WeakPolarHBondContact O-CG1 3.28Å; T207-I211 PolarHBondContact O-N 3.42Å; T207-T219 HydrophobicContact CG2-CG2 3.87Å
208G89.4Confident90.9Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-55.5-58.1173.700000111.8A204 S205 V206 L210 I211 D212A204-G208 PolarHBondContact O-N 2.93Å; A204-G208 VanDerWaalsContact O-N 3.08Å; S205-G208 PolarHBondContact O-N 3.33Å; V206-G208 VanDerWaalsContact C-N 3.34Å; V206-G208 PolarHBondContact O-N 3.32Å; G208-L210 VanDerWaalsContact C-N 3.3Å; G208-L210 PolarHBondContact O-N 3.27Å; G208-I211 WeakPolarHBondContact O-CB 3.19Å; G208-I211 PolarHBondContact O-N 2.87Å; G208-D212 PolarHBondContact O-N 3.27Å
209V90.5Very high90.9Very high37 Ų3739.5 Ų39.522%0.22422%0.222CC..Hα-helixtrans-60.8-37-179.2176.20000112.6S205 V206 D212 H213 D334 Y338S205-V209 WeakPolarHBondContact O-CG2 3.11Å; S205-V209 PolarHBondContact O-N 3.34Å; V206-V209 PolarHBondContact O-N 3.27Å; V209-D212 PolarHBondContact O-N 3.41Å; V209-H213 PolarHBondContact O-N 3.39Å; V209-H213 VanDerWaalsContact O-N 3.08Å; V209-D334 WeakPolarHBondContact CA-OD1 3.38Å; V209-D334 PolarHBondContact N-OD1 2.95Å; V209-Y338 HydrophobicContact CG2-CE1 4.15Å; V209-Y338 HydrophobicContact CG2-CE2 4.2Å; V209-Y338 WeakPolarHBondContact CG2-OH 3.44Å
210L91.2Very high91Very high25 Ų2539.1 Ų39.113%0.13122%0.218CC..Hα-helixtrans-66.4-37.8176.6-73.8175.2000112.1V206 T207 G208 Y214 G215 T219 I222V206-L210 HydrophobicContact CG1-CD1 3.69Å; V206-L210 HydrophobicContact CG1-CG 4.1Å; V206-L210 WeakPolarHBondContact O-CB 3.27Å; V206-L210 VanDerWaalsContact O-CG 3.22Å; V206-L210 WeakPolarHBondContact O-CG 3.5Å; V206-L210 PolarHBondContact O-N 3.15Å; T207-L210 PolarHBondContact O-N 3.41Å; G208-L210 VanDerWaalsContact C-N 3.3Å; G208-L210 PolarHBondContact O-N 3.27Å; L210-Y214 HydrophobicContact CD2-CD2 3.67Å; L210-Y214 HydrophobicContact CD2-CE2 3.92Å; L210-Y214 WeakPolarHBondContact O-CA 3.43Å; L210-Y214 WeakPolarHBondContact O-CB 3.19Å; L210-Y214 PolarHBondContact O-N 3.01Å; L210-G215 PolarHBondContact O-N 3.25Å; L210-T219 VanDerWaalsContact C-OG1 3.23Å; L210-T219 HydrophobicContact CB-CG2 3.96Å; L210-T219 WeakPolarHBondContact CB-OG1 3.32Å; L210-T219 HydrophobicContact CD1-CG2 4.42Å; L210-T219 PolarHBondContact O-OG1 2.78Å; L210-I222 HydrophobicContact CD1-CD1 3.98Å; L210-I222 HydrophobicContact CD1-CG2 4.27Å; L210-I222 HydrophobicContact CD2-CD1 4.02Å
211I90.4Very high91.2Very high5 Ų542.8 Ų42.83%0.02624%0.236CC..Hα-helixtrans-64.3-43.5177.4-71164.8000110.3F28 L29 Q32 T207 G208 G215 F216 T219 V333F28-I211 HydrophobicContact CD1-CD1 4.26Å; F28-I211 HydrophobicContact CE1-CD1 4.1Å; L29-I211 HydrophobicContact CD1-CD1 3.7Å; L29-I211 HydrophobicContact CD1-CG1 3.82Å; Q32-I211 HydrophobicContact CB-CD1 4.24Å; Q32-I211 HydrophobicContact CG-CD1 4.37Å; T207-I211 HydrophobicContact CG2-CD1 3.9Å; T207-I211 HydrophobicContact CG2-CG1 4.43Å; T207-I211 WeakPolarHBondContact O-CD1 3.27Å; T207-I211 WeakPolarHBondContact O-CG1 3.28Å; T207-I211 PolarHBondContact O-N 3.42Å; G208-I211 WeakPolarHBondContact O-CB 3.19Å; G208-I211 PolarHBondContact O-N 2.87Å; I211-G215 WeakPolarHBondContact O-CA 3.29Å; I211-G215 PolarHBondContact O-N 3.45Å; I211-F216 HydrophobicContact CD1-CD1 4.49Å; I211-F216 HydrophobicContact CD1-CE1 4.22Å; I211-F216 HydrophobicContact CG1-CD1 4.33Å; I211-F216 HydrophobicContact CG1-CE1 4.35Å; I211-F216 HydrophobicContact CG2-CD1 4.14Å; I211-F216 HydrophobicContact CG2-CD2 4.48Å; I211-F216 HydrophobicContact CG2-CE1 3.67Å; I211-F216 HydrophobicContact CG2-CE2 4.06Å; I211-F216 HydrophobicContact CG2-CZ 3.62Å; I211-T219 HydrophobicContact CG1-CG2 4.06Å; I211-T219 PolarHBondContact N-OG1 2.98Å; I211-V333 HydrophobicContact CD1-CG1 4.45Å; I211-V333 HydrophobicContact CG2-CG1 4.28Å
212D85.6Confident91.3Very high67 Ų6746.3 Ų46.336%0.35825%0.254SS..Hα-helixtrans-69.5-45.8-178.4-168.378.9000112.4G208 V209 D334G208-D212 PolarHBondContact O-N 3.27Å; V209-D212 PolarHBondContact O-N 3.41Å; D212-D334 WeakPolarHBondContact CB-OD1 3.43Å; D212-D334 WeakPolarHBondContact CB-OD2 3.45Å
213H88.7Confident91.3Very high130 Ų13043.5 Ų43.560%0.60223%0.231SC*.Hα-helixtrans-82.2-37.1-176.4-73.1-42.8000115.2V209V209-H213 PolarHBondContact O-N 3.39Å; V209-H213 VanDerWaalsContact O-N 3.08Å
214Y89Confident91.3Very high156 Ų15645.2 Ų45.261%0.61224%0.239SC*.Hα-helixtrans-117-7.7-171.7-59.2-78.6000113.5L210 T218L210-Y214 HydrophobicContact CD2-CD2 3.67Å; L210-Y214 HydrophobicContact CD2-CE2 3.92Å; L210-Y214 WeakPolarHBondContact O-CA 3.43Å; L210-Y214 WeakPolarHBondContact O-CB 3.19Å; L210-Y214 PolarHBondContact O-N 3.01Å; Y214-T218 WeakPolarHBondContact CB-OG1 3.38Å; Y214-T218 PolarHBondContact O-OG1 3.06Å
215G89.7Confident91.3Very high26 Ų2651.1 Ų51.127%0.26826%0.263SS..Hα-helixtrans81.9178.9-178.300000114.6L210 I211 T218 T219L210-G215 PolarHBondContact O-N 3.25Å; I211-G215 WeakPolarHBondContact O-CA 3.29Å; I211-G215 PolarHBondContact O-N 3.45Å; G215-T218 PolarHBondContact O-OG1 2.76Å; G215-T219 WeakPolarHBondContact O-CB 3.38Å; G215-T219 PolarHBondContact O-N 3.38Å; G215-T219 PolarHBondContact O-OG1 3.19Å
216F92.7Very high91.1Very high21 Ų2152.5 Ų52.59%0.09227%0.268CS..Hα-helixtrans-70.9-37.8-173.8-68.2-84.7000113.9L29 Q32 F33 Y36 I123 I211 C220L29-F216 HydrophobicContact CD1-CD1 3.76Å; L29-F216 HydrophobicContact CD1-CE1 4.49Å; Q32-F216 HydrophobicContact CB-CE1 3.99Å; F33-F216 HydrophobicContact CB-CD1 3.97Å; F33-F216 HydrophobicContact CB-CE1 4.06Å; F33-F216 HydrophobicContact CD2-CB 4.13Å; F33-F216 AromaticContact CD2-CD1 3.92Å; F33-F216 HydrophobicContact CD2-CD1 3.92Å; F33-F216 HydrophobicContact CD2-CD2 4.43Å; F33-F216 HydrophobicContact CD2-CE1 4.48Å; F33-F216 AromaticContact CD2-CG 3.91Å; F33-F216 HydrophobicContact CD2-CG 3.91Å; F33-F216 HydrophobicContact CG-CD1 4.46Å; Y36-F216 HydrophobicContact CD1-CD2 4.23Å; Y36-F216 AromaticContact CD1-CE2 3.84Å; Y36-F216 HydrophobicContact CD1-CE2 3.84Å; Y36-F216 HydrophobicContact CD1-CZ 4.44Å; Y36-F216 AromaticContact CD2-CE2 3.84Å; Y36-F216 HydrophobicContact CD2-CE2 3.84Å; Y36-F216 HydrophobicContact CD2-CZ 4.4Å; Y36-F216 HydrophobicContact CE1-CD2 4.5Å; Y36-F216 HydrophobicContact CE1-CE2 4.36Å; Y36-F216 HydrophobicContact CE2-CE2 4.35Å; Y36-F216 HydrophobicContact CG-CD2 4.39Å; Y36-F216 AromaticContact CG-CE2 3.55Å; Y36-F216 HydrophobicContact CG-CE2 3.55Å; Y36-F216 AromaticContact CG-CZ 3.93Å; Y36-F216 HydrophobicContact CG-CZ 3.93Å; I123-F216 HydrophobicContact CG2-CB 4.26Å; I211-F216 HydrophobicContact CD1-CD1 4.49Å; I211-F216 HydrophobicContact CD1-CE1 4.22Å; I211-F216 HydrophobicContact CG1-CD1 4.33Å; I211-F216 HydrophobicContact CG1-CE1 4.35Å; I211-F216 HydrophobicContact CG2-CD1 4.14Å; I211-F216 HydrophobicContact CG2-CD2 4.48Å; I211-F216 HydrophobicContact CG2-CE1 3.67Å; I211-F216 HydrophobicContact CG2-CE2 4.06Å; I211-F216 HydrophobicContact CG2-CZ 3.62Å; F216-C220 WeakPolarHBondContact O-CB 3.41Å; F216-C220 PolarHBondContact O-N 3.34Å
217I92.5Very high90.9Very high84 Ų8448.9 Ų48.943%0.43125%0.246SC..Hα-helixtrans-66.6-51-174.2-64.9177.3000111.1L124 T219 C220 L221L124-I217 HydrophobicContact CD2-CB 4.47Å; L124-I217 HydrophobicContact CD2-CG2 3.73Å; I217-T219 PolarHBondContact O-N 3.1Å; I217-C220 WeakPolarHBondContact O-CB 3.28Å; I217-C220 PolarHBondContact O-N 3.14Å; I217-L221 PolarHBondContact O-N 3.04Å; I217-L221 VanDerWaalsContact O-N 3.12Å
218T91.7Very high90.7Very high56 Ų5654.5 Ų54.534%0.34428%0.276SS..Hα-helixtrans-62.7-42.9178.6520000111.2Y214 G215 C220 L221 I222Y214-T218 WeakPolarHBondContact CB-OG1 3.38Å; Y214-T218 PolarHBondContact O-OG1 3.06Å; G215-T218 PolarHBondContact O-OG1 2.76Å; T218-C220 VanDerWaalsContact C-N 3.3Å; T218-C220 PolarHBondContact O-N 3.4Å; T218-L221 PolarHBondContact O-N 2.87Å; T218-I222 WeakPolarHBondContact O-CG1 3.43Å; T218-I222 PolarHBondContact O-N 2.93Å
219T93.7Very high90.5Very high0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-59.4-42.4175-55.90000111.3L29 T207 L210 I211 G215 I217 L221 I222 M223L29-T219 HydrophobicContact CD1-CG2 3.98Å; T207-T219 HydrophobicContact CG2-CG2 3.87Å; L210-T219 VanDerWaalsContact C-OG1 3.23Å; L210-T219 HydrophobicContact CB-CG2 3.96Å; L210-T219 WeakPolarHBondContact CB-OG1 3.32Å; L210-T219 HydrophobicContact CD1-CG2 4.42Å; L210-T219 PolarHBondContact O-OG1 2.78Å; I211-T219 HydrophobicContact CG1-CG2 4.06Å; I211-T219 PolarHBondContact N-OG1 2.98Å; G215-T219 WeakPolarHBondContact O-CB 3.38Å; G215-T219 PolarHBondContact O-N 3.38Å; G215-T219 PolarHBondContact O-OG1 3.19Å; I217-T219 PolarHBondContact O-N 3.1Å; T219-L221 PolarHBondContact O-N 2.79Å; T219-I222 PolarHBondContact O-N 3.45Å; T219-M223 HydrophobicContact CG2-CG 4.43Å; T219-M223 VanDerWaalsContact O-CG 3.29Å; T219-M223 WeakPolarHBondContact O-CG 3.22Å; T219-M223 PolarHBondContact O-N 3.47Å
220C94.9Very high90Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-59.4-44.2175.9-174.60000112.3L29 I123 L124 F216 I217 T218 M223 L224L29-C220 HydrophobicContact CD2-CB 3.95Å; I123-C220 HydrophobicContact CG2-CB 4.09Å; L124-C220 HydrophobicContact CD2-CB 4.25Å; F216-C220 WeakPolarHBondContact O-CB 3.41Å; F216-C220 PolarHBondContact O-N 3.34Å; I217-C220 WeakPolarHBondContact O-CB 3.28Å; I217-C220 PolarHBondContact O-N 3.14Å; T218-C220 VanDerWaalsContact C-N 3.3Å; T218-C220 PolarHBondContact O-N 3.4Å; C220-M223 PolarHBondContact O-N 3.4Å; C220-L224 PolarHBondContact O-N 2.87Å
221L94.6Very high89.5Confident95 Ų9557.1 Ų57.150%0.49729%0.29SS..Hα-helixtrans-64-41177.6-65.7176.1000112.6L124 I217 T218 T219 M223 L224 F225L124-L221 HydrophobicContact CD1-CD2 4.32Å; L124-L221 HydrophobicContact CD2-CD2 4.11Å; L124-L221 HydrophobicContact CD2-CG 4.25Å; I217-L221 PolarHBondContact O-N 3.04Å; I217-L221 VanDerWaalsContact O-N 3.12Å; T218-L221 PolarHBondContact O-N 2.87Å; T219-L221 PolarHBondContact O-N 2.79Å; L221-M223 VanDerWaalsContact C-N 3.35Å; L221-L224 HydrophobicContact CD2-CD1 4.44Å; L221-L224 PolarHBondContact O-N 3.04Å; L221-F225 PolarHBondContact O-N 2.88Å; L221-F225 VanDerWaalsContact O-N 3.08Å
222I92.9Very high88.9Confident75 Ų7558.7 Ų58.739%0.38531%0.307SS..Hα-helixtrans-63-43.3175.3-65.9167.5000110.4L210 T218 T219 F225 L226L210-I222 HydrophobicContact CD1-CD1 3.98Å; L210-I222 HydrophobicContact CD1-CG2 4.27Å; L210-I222 HydrophobicContact CD2-CD1 4.02Å; T218-I222 WeakPolarHBondContact O-CG1 3.43Å; T218-I222 PolarHBondContact O-N 2.93Å; T219-I222 PolarHBondContact O-N 3.45Å; I222-F225 WeakPolarHBondContact O-CB 3.37Å; I222-F225 PolarHBondContact O-N 3.41Å; I222-L226 PolarHBondContact O-N 2.92Å; I222-L226 VanDerWaalsContact O-N 3.15Å
223M91.9Very high88.5Confident2 Ų258.3 Ų58.31%0.0130%0.304CS..Hα-helixtrans-66.7-36.8177.9-69.1-57.4-52.200112.5F22 F26 V203 T219 C220 L221 F225 L226 C227F22-M223 WeakPolarHBondContact O-CE 3.36Å; F26-M223 HydrophobicContact CD2-CB 3.95Å; F26-M223 HydrophobicContact CD2-CE 4.32Å; F26-M223 HydrophobicContact CE1-CB 4.32Å; F26-M223 VanDerWaalsContact CE2-C 3.47Å; F26-M223 HydrophobicContact CE2-CB 3.45Å; F26-M223 VanDerWaalsContact CE2-CB 3.45Å; F26-M223 WeakPolarHBondContact CE2-O 3.16Å; F26-M223 HydrophobicContact CZ-CB 3.64Å; V203-M223 HydrophobicContact CG1-CE 3.88Å; V203-M223 HydrophobicContact CG1-SD 4.06Å; T219-M223 HydrophobicContact CG2-CG 4.43Å; T219-M223 VanDerWaalsContact O-CG 3.29Å; T219-M223 WeakPolarHBondContact O-CG 3.22Å; T219-M223 PolarHBondContact O-N 3.47Å; C220-M223 PolarHBondContact O-N 3.4Å; L221-M223 VanDerWaalsContact C-N 3.35Å; M223-F225 VanDerWaalsContact C-N 3.31Å; M223-F225 PolarHBondContact O-N 3.02Å; M223-L226 HydrophobicContact CE-CD1 4.25Å; M223-L226 PolarHBondContact O-N 3.43Å; M223-L226 HydrophobicContact SD-CD1 3.9Å; M223-C227 PolarHBondContact O-N 3.41Å; M223-C227 VanDerWaalsContact O-N 3.11Å
224L92.3Very high87.9Confident50 Ų5053.3 Ų53.326%0.26228%0.281SS..Hα-helixtrans-60.2-41.3171.8-82.1177.6000111.6F26 I116 S120 C220 L221 L226 C227 L228F26-L224 HydrophobicContact CZ-CD2 3.94Å; F26-L224 HydrophobicContact CZ-CG 3.93Å; I116-L224 HydrophobicContact CG2-CD2 3.79Å; S120-L224 WeakPolarHBondContact OG-CD2 3.17Å; C220-L224 PolarHBondContact O-N 2.87Å; L221-L224 HydrophobicContact CD2-CD1 4.44Å; L221-L224 PolarHBondContact O-N 3.04Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-L226 PolarHBondContact O-N 3.1Å; L224-C227 VanDerWaalsContact O-CB 3.29Å; L224-C227 WeakPolarHBondContact O-CB 3.44Å; L224-C227 PolarHBondContact O-N 2.97Å; L224-C227 VanDerWaalsContact O-N 3.15Å; L224-L228 PolarHBondContact O-N 2.85Å
225F89.9Confident87.2Confident131 Ų13155.3 Ų55.358%0.57529%0.288SS*.Hα-helixtrans-61.7-41.5175.7-179.2-101.1000112.2L221 I222 M223 C227 L228 I229L221-F225 PolarHBondContact O-N 2.88Å; L221-F225 VanDerWaalsContact O-N 3.08Å; I222-F225 WeakPolarHBondContact O-CB 3.37Å; I222-F225 PolarHBondContact O-N 3.41Å; M223-F225 VanDerWaalsContact C-N 3.31Å; M223-F225 PolarHBondContact O-N 3.02Å; F225-C227 VanDerWaalsContact C-N 3.27Å; F225-C227 PolarHBondContact O-N 3.13Å; F225-L228 WeakPolarHBondContact O-CB 3.42Å; F225-L228 PolarHBondContact O-N 3.31Å; F225-L228 VanDerWaalsContact O-N 3.16Å; F225-I229 HydrophobicContact CD1-CD1 4.49Å; F225-I229 HydrophobicContact CE1-CD1 4.12Å
226L87.3Confident86.6Confident58 Ų5857.6 Ų57.630%0.30430%0.299SS..Hα-helixtrans-62.9-31.7174.5-68.5175.3000113I222 M223 L224 I229 S230I222-L226 PolarHBondContact O-N 2.92Å; I222-L226 VanDerWaalsContact O-N 3.15Å; M223-L226 HydrophobicContact CE-CD1 4.25Å; M223-L226 PolarHBondContact O-N 3.43Å; M223-L226 HydrophobicContact SD-CD1 3.9Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-L226 PolarHBondContact O-N 3.1Å; L226-I229 HydrophobicContact CD2-CD1 4.19Å; L226-I229 PolarHBondContact O-N 3.35Å; L226-S230 PolarHBondContact O-OG 3.44Å
227C88.7Confident85.6Confident7 Ų757.1 Ų57.15%0.04730%0.298CS..Hα-helixtrans-63.7-40.1174.2-171.80000111.8F22 M223 L224 F225 I229 S230 V231F22-C227 HydrophobicContact CB-CB 4.38Å; F22-C227 HydrophobicContact CG-CB 4.31Å; M223-C227 PolarHBondContact O-N 3.41Å; M223-C227 VanDerWaalsContact O-N 3.11Å; L224-C227 VanDerWaalsContact O-CB 3.29Å; L224-C227 WeakPolarHBondContact O-CB 3.44Å; L224-C227 PolarHBondContact O-N 2.97Å; L224-C227 VanDerWaalsContact O-N 3.15Å; F225-C227 VanDerWaalsContact C-N 3.27Å; F225-C227 PolarHBondContact O-N 3.13Å; C227-I229 VanDerWaalsContact C-N 3.29Å; C227-I229 PolarHBondContact O-N 3.49Å; C227-S230 WeakPolarHBondContact O-CB 3.36Å; C227-S230 PolarHBondContact O-N 3.43Å; C227-S230 VanDerWaalsContact O-N 3.07Å; C227-V231 WeakPolarHBondContact O-CG2 3.44Å; C227-V231 PolarHBondContact O-N 2.87Å; C227-V231 VanDerWaalsContact O-N 3.17Å
228L87.1Confident84.5Confident119 Ų11955 Ų5562%0.62329%0.289SS*.Hα-helixtrans-61.6-36.1179.7-63.4176.3000112.6L224 F225 S230 V231 G232L224-L228 PolarHBondContact O-N 2.85Å; F225-L228 WeakPolarHBondContact O-CB 3.42Å; F225-L228 PolarHBondContact O-N 3.31Å; F225-L228 VanDerWaalsContact O-N 3.16Å; L228-S230 VanDerWaalsContact C-N 3.26Å; L228-S230 PolarHBondContact O-N 3.02Å; L228-V231 WeakPolarHBondContact O-CB 3.44Å; L228-V231 PolarHBondContact O-N 2.85Å; L228-G232 PolarHBondContact O-N 2.9Å
229I84.7Confident83.8Confident66 Ų6654.8 Ų54.834%0.33828%0.284SS..Hα-helixtrans-61-39.8175.7-60.2174.3000110.6F18 F225 L226 C227 G232 M233F18-I229 HydrophobicContact CD1-CG2 4.04Å; F18-I229 HydrophobicContact CE1-CG2 4.01Å; F225-I229 HydrophobicContact CD1-CD1 4.49Å; F225-I229 HydrophobicContact CE1-CD1 4.12Å; L226-I229 HydrophobicContact CD2-CD1 4.19Å; L226-I229 PolarHBondContact O-N 3.35Å; C227-I229 VanDerWaalsContact C-N 3.29Å; C227-I229 PolarHBondContact O-N 3.49Å; I229-G232 PolarHBondContact O-N 2.66Å; I229-M233 PolarHBondContact O-N 3.22Å
230S80.8Confident82.7Confident0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-70.5-36-178.8-53.20000112.4F18 F22 L226 C227 L228 G232 M233 L234F18-S230 WeakPolarHBondContact CB-OG 3.49Å; F18-S230 PolarHBondContact O-OG 3.45Å; F22-S230 WeakPolarHBondContact CD1-OG 3.36Å; L226-S230 PolarHBondContact O-OG 3.44Å; C227-S230 WeakPolarHBondContact O-CB 3.36Å; C227-S230 PolarHBondContact O-N 3.43Å; C227-S230 VanDerWaalsContact O-N 3.07Å; L228-S230 VanDerWaalsContact C-N 3.26Å; L228-S230 PolarHBondContact O-N 3.02Å; S230-G232 VanDerWaalsContact C-N 3.31Å; S230-G232 PolarHBondContact O-N 2.94Å; S230-M233 PolarHBondContact O-N 3.47Å; S230-L234 PolarHBondContact O-N 3.16Å
231V81.1Confident81.2Confident51 Ų5156.8 Ų56.831%0.30929%0.294SS..Hα-helixtrans-58.2-45.3173.6178.30000110.2F109 C227 L228 M233 L234F109-V231 HydrophobicContact CE1-CB 4.23Å; F109-V231 HydrophobicContact CE1-CG2 3.61Å; F109-V231 HydrophobicContact CZ-CB 4.5Å; F109-V231 HydrophobicContact CZ-CG2 3.95Å; C227-V231 WeakPolarHBondContact O-CG2 3.44Å; C227-V231 PolarHBondContact O-N 2.87Å; C227-V231 VanDerWaalsContact O-N 3.17Å; L228-V231 WeakPolarHBondContact O-CB 3.44Å; L228-V231 PolarHBondContact O-N 2.85Å; V231-M233 VanDerWaalsContact C-N 3.31Å; V231-M233 PolarHBondContact O-N 2.64Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 3.38Å
232G77.2Confident79.3Confident38 Ų3854.4 Ų54.439%0.39229%0.285SS..Hα-helixtrans-61.7-36.5178.800000113.4L228 I229 S230 L234L228-G232 PolarHBondContact O-N 2.9Å; I229-G232 PolarHBondContact O-N 2.66Å; S230-G232 VanDerWaalsContact C-N 3.31Å; S230-G232 PolarHBondContact O-N 2.94Å; G232-L234 PolarHBondContact O-N 3.1Å
233M77.6Confident77.4Confident60 Ų6053.1 Ų53.130%0.29628%0.277SS..Hα-helixtrans-72.4-26.8-179.8-68-57.2-64.400113.7I14 L15 F18 I229 S230 V231 W235 C236I14-M233 HydrophobicContact CG2-CE 3.83Å; L15-M233 HydrophobicContact CD1-CB 3.83Å; F18-M233 HydrophobicContact CD2-CG 4.19Å; F18-M233 HydrophobicContact CE2-CG 4.49Å; I229-M233 PolarHBondContact O-N 3.22Å; S230-M233 PolarHBondContact O-N 3.47Å; V231-M233 VanDerWaalsContact C-N 3.31Å; V231-M233 PolarHBondContact O-N 2.64Å; M233-W235 PolarHBondContact O-N 2.98Å; M233-C236 WeakPolarHBondContact O-CB 3.44Å; M233-C236 PolarHBondContact O-N 3.38Å
234L74.8Confident75.5Confident24 Ų2456.7 Ų56.713%0.12630%0.296CS..Hα-helixtrans-59.5-33.4178.3-172.572.6000111.9L15 F109 S230 V231 G232 C236 L237L15-L234 HydrophobicContact CD2-CD1 4.32Å; F109-L234 HydrophobicContact CB-CD1 4.22Å; F109-L234 HydrophobicContact CB-CD2 4.09Å; F109-L234 HydrophobicContact CD1-CD2 3.95Å; F109-L234 HydrophobicContact CG-CD1 4.36Å; F109-L234 HydrophobicContact CG-CD2 4.06Å; S230-L234 PolarHBondContact O-N 3.16Å; V231-L234 WeakPolarHBondContact O-CB 3.45Å; V231-L234 PolarHBondContact O-N 3.38Å; G232-L234 PolarHBondContact O-N 3.1Å; L234-C236 PolarHBondContact O-N 3.1Å; L234-L237 HydrophobicContact CD1-CD1 3.98Å; L234-L237 PolarHBondContact O-N 2.85Å
235W75.9Confident73.4Confident198 Ų19858.3 Ų58.375%0.7531%0.308SS*.THydrogen-bonded Turntrans-70.8-18.3177.1-71.6-15.6000114R102 M233 L237R102-W235 PolarHBondContact NH2-O 3.35Å; R102-W235 VanDerWaalsContact NH2-O 3.13Å; M233-W235 PolarHBondContact O-N 2.98Å; W235-L237 VanDerWaalsContact C-N 3.32Å; W235-L237 PolarHBondContact O-N 2.97Å
236C75.5Confident71.2Confident74 Ų7457.7 Ų57.750%0.531%0.306SS..THydrogen-bonded Turntrans-84.5-1.7179.5-66.70000114.3M233 L234M233-C236 WeakPolarHBondContact O-CB 3.44Å; M233-C236 PolarHBondContact O-N 3.38Å; L234-C236 PolarHBondContact O-N 3.1Å
237L73.4Confident69.3Low12 Ų1258 Ų586%0.06331%0.311CS..PPolyproline II helixtrans-71.4128.3-177-81.2179.4000113L12 L15 R102 M105 L234 W235L12-L237 HydrophobicContact CD2-CD2 3.92Å; L15-L237 HydrophobicContact CD2-CD1 3.42Å; L15-L237 VanDerWaalsContact CD2-CD1 3.42Å; L15-L237 HydrophobicContact CD2-CD2 3.67Å; L15-L237 HydrophobicContact CD2-CG 3.67Å; R102-L237 HydrophobicContact CG-CB 4.3Å; M105-L237 HydrophobicContact CB-CD1 4.41Å; L234-L237 HydrophobicContact CD1-CD1 3.98Å; L234-L237 PolarHBondContact O-N 2.85Å; W235-L237 VanDerWaalsContact C-N 3.32Å; W235-L237 PolarHBondContact O-N 2.97Å
238P68.7Low67.2Low38 Ų3859.9 Ų59.925%0.24733%0.327CS..PPolyproline II helixtrans-78.1150.6166.632.1-31.6000111.4I8 K11 T240I8-P238 HydrophobicContact CG1-CG 3.9Å; I8-P238 HydrophobicContact CG2-CG 4.4Å; K11-P238 HydrophobicContact CD-CG 4.11Å; P238-T240 PolarHBondContact O-N 3.29Å
239E76.6Confident64.9Low52 Ų5258.5 Ų58.524%0.24332%0.32CS..PPolyproline II helixtrans-75.9118.4173.8-177.149.7-113.900110.3G100 R101 R102 Q241 S242G100-E239 VanDerWaalsContact CA-CD 3.49Å; G100-E239 WeakPolarHBondContact CA-OE1 3.49Å; G100-E239 WeakPolarHBondContact CA-OE2 3.45Å; R101-E239 PolarHBondContact N-OE1 3.47Å; R101-E239 PolarHBondContact N-OE2 3Å; R102-E239 WeakPolarHBondContact CB-OE2 3.32Å; R102-E239 PolarHBondContact N-OE2 3.31Å; E239-Q241 HydrophobicContact CG-CB 4.38Å; E239-Q241 WeakPolarHBondContact OE1-CB 3.46Å; E239-Q241 WeakPolarHBondContact OE1-CG 3.4Å; E239-Q241 PolarHBondContact OE1-N 2.94Å; E239-Q241 VanDerWaalsContact OE1-N 3.09Å; E239-S242 PolarHBondContact O-OG 3.03Å
240T71.4Confident63.2Low2 Ų260.8 Ų60.81%0.01233%0.332CS..SBendtrans-87.1-20.3-176.150.10000113.3I8 R101 P238 S242 F243I8-T240 HydrophobicContact CG2-CG2 3.55Å; R101-T240 WeakPolarHBondContact CB-OG1 3.36Å; R101-T240 WeakPolarHBondContact CG-OG1 3.44Å; P238-T240 PolarHBondContact O-N 3.29Å; T240-S242 PolarHBondContact O-N 2.82Å; T240-F243 PolarHBondContact O-N 2.92Å
241Q63.5Low61.6Low40 Ų4061.4 Ų61.419%0.18734%0.337CS..THydrogen-bonded Turntrans-61.1-30.5172.7-72.5-161.5-9.100113.1S96 D97 G100 R101 E239 F243 N244S96-Q241 PolarHBondContact O-NE2 2.92Å; D97-Q241 PolarHBondContact O-NE2 2.67Å; G100-Q241 VanDerWaalsContact CA-CD 3.48Å; R101-Q241 HydrophobicContact CG-CG 3.97Å; E239-Q241 HydrophobicContact CG-CB 4.38Å; E239-Q241 WeakPolarHBondContact OE1-CB 3.46Å; E239-Q241 WeakPolarHBondContact OE1-CG 3.4Å; E239-Q241 PolarHBondContact OE1-N 2.94Å; E239-Q241 VanDerWaalsContact OE1-N 3.09Å; Q241-F243 PolarHBondContact O-N 3.24Å; Q241-F243 VanDerWaalsContact O-N 3.08Å; Q241-N244 WeakPolarHBondContact O-CB 3.3Å; Q241-N244 PolarHBondContact O-N 3.48Å
242S53.6Low60Low45 Ų4561.6 Ų61.632%0.31534%0.34SS..Hα-helixtrans-57.9-23-179.266.30000113.2E239 T240 N244 V245 Q246E239-S242 PolarHBondContact O-OG 3.03Å; T240-S242 PolarHBondContact O-N 2.82Å; S242-N244 PolarHBondContact O-N 3.24Å; S242-V245 PolarHBondContact O-N 3.34Å; S242-Q246 PolarHBondContact O-N 3.3Å
243F53Low58.4Low48 Ų4866.3 Ų66.321%0.21135%0.35CS..Hα-helixtrans-62.1-27.3171.7-96.2-99.3000113.1E5 I8 T240 Q241 T247E5-F243 HydrophobicContact CG-CE1 4Å; E5-F243 HydrophobicContact CG-CZ 4.47Å; I8-F243 HydrophobicContact CD1-CD2 3.87Å; I8-F243 HydrophobicContact CD1-CE2 3.17Å; I8-F243 HydrophobicContact CD1-CZ 3.89Å; T240-F243 PolarHBondContact O-N 2.92Å; Q241-F243 PolarHBondContact O-N 3.24Å; Q241-F243 VanDerWaalsContact O-N 3.08Å; F243-T247 WeakPolarHBondContact O-CG2 3.21Å; F243-T247 PolarHBondContact O-OG1 3.09Å
244N51.7Low57.1Low78 Ų7868.2 Ų68.242%0.41736%0.361SS..Hα-helixtrans-72.1-34.2173-63.7-28000111.6Q241 S242 T247Q241-N244 WeakPolarHBondContact O-CB 3.3Å; Q241-N244 PolarHBondContact O-N 3.48Å; S242-N244 PolarHBondContact O-N 3.24Å; N244-T247 PolarHBondContact O-OG1 2.87Å
245V48.3Very low55.6Low84 Ų8470.6 Ų70.651%0.50937%0.374SS..Hα-helixtrans-84.2-47-175.4-174.90000111.1S242 T247 A248 D249S242-V245 PolarHBondContact O-N 3.34Å; V245-T247 VanDerWaalsContact C-N 3.26Å; V245-T247 PolarHBondContact O-N 3.42Å; V245-A248 WeakPolarHBondContact O-CA 3.37Å; V245-A248 WeakPolarHBondContact O-CB 3.38Å; V245-A248 PolarHBondContact O-N 3.44Å; V245-D249 PolarHBondContact O-N 2.9Å
246Q44.7Very low53.8Low117 Ų11766.9 Ų66.955%0.54737%0.369SS..Hα-helixtrans-61.5-31.3-179.9-95.7179.4-11.900113.5S242 I250S242-Q246 PolarHBondContact O-N 3.3Å; Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.2Å; Q246-I250 PolarHBondContact O-N 2.91Å
247T46.6Very low52.3Low64 Ų6471.6 Ų71.639%0.39338%0.381SS..Hα-helixtrans-75.1-27.417451.70000113.1F243 N244 V245 S251F243-T247 WeakPolarHBondContact O-CG2 3.21Å; F243-T247 PolarHBondContact O-OG1 3.09Å; N244-T247 PolarHBondContact O-OG1 2.87Å; V245-T247 VanDerWaalsContact C-N 3.26Å; V245-T247 PolarHBondContact O-N 3.42Å; T247-S251 PolarHBondContact O-OG 2.89Å
248A45.2Very low50.8Low47 Ų4774.4 Ų74.439%0.38840%0.402SS..Hα-helixtrans-77.5-33.9173.700000111.8V245 S251 S252V245-A248 WeakPolarHBondContact O-CA 3.37Å; V245-A248 WeakPolarHBondContact O-CB 3.38Å; V245-A248 PolarHBondContact O-N 3.44Å; A248-S251 PolarHBondContact O-OG 3.18Å; A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.2Å
249D39.4Very low49.2Very low91 Ų9177.8 Ų77.849%0.48742%0.418SS..Hα-helixtrans-71.2-42.2179-69.7-20.9000111.9V245 S251 S252 F253V245-D249 PolarHBondContact O-N 2.9Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.17Å; D249-S252 PolarHBondContact O-N 3.37Å; D249-S252 PolarHBondContact O-OG 3.39Å; D249-F253 PolarHBondContact O-N 3.39Å; D249-F253 VanDerWaalsContact O-N 3.08Å
250I47.8Very low47.2Very low113 Ų11378.5 Ų78.558%0.57944%0.439SS*.Hα-helixtrans-63.1-39.4176.5-65.2167.5000110.8Q246 F253 D254Q246-I250 VanDerWaalsContact O-CG1 3.31Å; Q246-I250 WeakPolarHBondContact O-CG1 3.2Å; Q246-I250 PolarHBondContact O-N 2.91Å; I250-F253 WeakPolarHBondContact O-CB 3.43Å; I250-F253 PolarHBondContact O-N 3.09Å; I250-D254 PolarHBondContact O-N 3.27Å
251S48.4Very low45.5Very low14 Ų1484.3 Ų84.310%0.09847%0.474CS..Hα-helixtrans-73.7-32.1176.766.20000113E166 T247 A248 D249 F253 D254 N255E166-S251 PolarHBondContact OE1-OG 3.16Å; E166-S251 VanDerWaalsContact OE1-OG 3.07Å; E166-S251 WeakPolarHBondContact OE2-CB 3.31Å; E166-S251 PolarHBondContact OE2-OG 3.39Å; T247-S251 PolarHBondContact O-OG 2.89Å; A248-S251 PolarHBondContact O-OG 3.18Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.17Å; S251-F253 PolarHBondContact O-N 2.94Å; S251-D254 PolarHBondContact O-N 3.41Å; S251-N255 WeakPolarHBondContact O-CB 3.46Å; S251-N255 VanDerWaalsContact O-CG 3.23Å; S251-N255 PolarHBondContact O-N 2.95Å; S251-N255 PolarHBondContact O-ND2 3.19Å
252S45.9Very low44Very low54 Ų5487.4 Ų87.438%0.37850%0.501SS..Hα-helixtrans-62.2-33.9170.879.10000111.7A248 D249 N256A248-S252 WeakPolarHBondContact O-CB 3.49Å; A248-S252 PolarHBondContact O-N 3.2Å; D249-S252 PolarHBondContact O-N 3.37Å; D249-S252 PolarHBondContact O-OG 3.39Å; S252-N256 VanDerWaalsContact O-CB 3.25Å; S252-N256 WeakPolarHBondContact O-CB 3.45Å; S252-N256 PolarHBondContact O-N 3.05Å; S252-N256 PolarHBondContact O-ND2 3.24Å; S252-N256 VanDerWaalsContact O-ND2 3.14Å
253F44.5Very low42.9Very low137 Ų13789.9 Ų89.960%0.60152%0.524SS*.Hα-helixtrans-71-45.4174.5-164.2-93.9000111.9D249 I250 S251 N256 F257D249-F253 PolarHBondContact O-N 3.39Å; D249-F253 VanDerWaalsContact O-N 3.08Å; I250-F253 WeakPolarHBondContact O-CB 3.43Å; I250-F253 PolarHBondContact O-N 3.09Å; S251-F253 PolarHBondContact O-N 2.94Å; F253-N256 PolarHBondContact O-N 3.37Å; F253-F257 PolarHBondContact O-N 3.46Å
254D49.8Very low41.6Very low101 Ų10193.9 Ų93.954%0.5456%0.556SS.*Hα-helixtrans-65.4-39.7176.7-81.6-17.4000112.4I250 S251 F257 S258I250-D254 PolarHBondContact O-N 3.27Å; S251-D254 PolarHBondContact O-N 3.41Å; D254-F257 PolarHBondContact O-N 3.21Å; D254-S258 PolarHBondContact O-N 3.37Å; D254-S258 PolarHBondContact O-OG 3.48Å; D254-S258 VanDerWaalsContact O-OG 3.12Å
255N44.5Very low40.4Very low74 Ų7498 Ų9840%0.39658%0.579SS.*Hα-helixtrans-68.7-33.2175.5-73.1-26.6000111.9S251 F257 S258 N259S251-N255 WeakPolarHBondContact O-CB 3.46Å; S251-N255 VanDerWaalsContact O-CG 3.23Å; S251-N255 PolarHBondContact O-N 2.95Å; S251-N255 PolarHBondContact O-ND2 3.19Å; N255-F257 VanDerWaalsContact C-N 3.33Å; N255-S258 WeakPolarHBondContact CA-OG 3.45Å; N255-S258 PolarHBondContact O-OG 3.16Å; N255-N259 WeakPolarHBondContact O-CB 3.32Å; N255-N259 PolarHBondContact O-N 3.4Å; N255-N259 PolarHBondContact O-ND2 3.47Å
256N38Very low39.2Very low120 Ų120103 Ų10364%0.64260%0.598SS**Hα-helixtrans-71.6-28.9172.7-75.6-19.5000112.2S252 F253S252-N256 VanDerWaalsContact O-CB 3.25Å; S252-N256 WeakPolarHBondContact O-CB 3.45Å; S252-N256 PolarHBondContact O-N 3.05Å; S252-N256 PolarHBondContact O-ND2 3.24Å; S252-N256 VanDerWaalsContact O-ND2 3.14Å; F253-N256 PolarHBondContact O-N 3.37Å
257F43.7Very low38.3Very low173 Ų173100.2 Ų100.276%0.75960%0.601SS**Hα-helixtrans-75.4-35174.1-138.1-85.2000112.2F253 D254 N255F253-F257 PolarHBondContact O-N 3.46Å; D254-F257 PolarHBondContact O-N 3.21Å; N255-F257 VanDerWaalsContact C-N 3.33Å
258S40.8Very low37.2Very low71 Ų71106.9 Ų106.950%0.49763%0.625SS.*Hα-helixtrans-81.9-27.5176.959.90000113.7D254 N255 G260D254-S258 PolarHBondContact O-N 3.37Å; D254-S258 PolarHBondContact O-OG 3.48Å; D254-S258 VanDerWaalsContact O-OG 3.12Å; N255-S258 WeakPolarHBondContact CA-OG 3.45Å; N255-S258 PolarHBondContact O-OG 3.16Å; S258-G260 VanDerWaalsContact C-N 3.3Å; S258-G260 PolarHBondContact O-N 3.05Å
259N36.9Very low36.3Very low108 Ų108115.1 Ų115.158%0.57865%0.647SS**G310 helixtrans-86.39.2177.4-69.7-20.3000114.6N255 V261N255-N259 WeakPolarHBondContact O-CB 3.32Å; N255-N259 PolarHBondContact O-N 3.4Å; N255-N259 PolarHBondContact O-ND2 3.47Å; N259-V261 PolarHBondContact O-N 3.48Å; N259-V261 VanDerWaalsContact O-N 3.1Å
260G34.4Very low35.7Very low67 Ų67115.2 Ų115.269%0.69166%0.655SS**G310 helixtrans-60.3-11.9163.700000113.4S258S258-G260 VanDerWaalsContact C-N 3.3Å; S258-G260 PolarHBondContact O-N 3.05Å
261V35.8Very low34.6Very low124 Ų124114.5 Ų114.575%0.75266%0.66SS**G310 helixtrans-135.674.3177.6-170.90000109.9N259N259-V261 PolarHBondContact O-N 3.48Å; N259-V261 VanDerWaalsContact O-N 3.1Å
262S30.5Very low33.5Very low106 Ų106120.9 Ų120.974%0.74169%0.693SS**SBendtrans174.2132.8137.3-80.40000113
263A32.3Very low32.7Very low97 Ų97127 Ų12780%0.80272%0.716SS**  trans-21.3132.8175.700000119.1N265A263-N265 PolarHBondContact O-N 3.05Å
264C24.7Very low31.9Very low132 Ų132125.2 Ų125.289%0.89272%0.72SS**  trans-46.3108.7167.4-530000113.1
265N25.9Very low30.9Very low165 Ų165128.3 Ų128.388%0.88273%0.732SS**  trans-103.9112157.5-100.6-12.9000109.3A263 G267A263-N265 PolarHBondContact O-N 3.05Å; N265-G267 PolarHBondContact O-N 3.19Å
266M24.8Very low30.9Very low188 Ų188128.5 Ų128.593%0.92674%0.737SS**  trans-54.6101.8-178.6-165.478.680.700110.8F268M266-F268 PolarHBondContact O-N 3.46Å
267G25.6Very low31Very low58 Ų58130.5 Ų130.560%0.59874%0.742SS**  trans-73.5112.1172.800000110.9N265 Y269N265-G267 PolarHBondContact O-N 3.19Å; G267-Y269 PolarHBondContact O-N 3.49Å
268F22.2Very low30.8Very low204 Ų204131.2 Ų131.290%0.89575%0.745SS**  trans-71.574167.9-155.4-93.8000109.5M266M266-F268 PolarHBondContact O-N 3.46Å
269Y27.4Very low31Very low220 Ų220135.7 Ų135.786%0.86376%0.756SS**  trans-97.398.1162.8-79.3-78.2000108G267 S271G267-Y269 PolarHBondContact O-N 3.49Å; Y269-S271 PolarHBondContact O-N 3.36Å
270S25.5Very low31.7Very low93 Ų93134.9 Ų134.965%0.6575%0.751SS**  trans-58.2103.3170.744.50000109.8N272S270-N272 PolarHBondContact O-N 3.28Å
271S24.6Very low32.4Very low99 Ų99138.1 Ų138.169%0.69274%0.743SS**  trans-69.17516756.40000110Y269 Q273Y269-S271 PolarHBondContact O-N 3.36Å; S271-Q273 PolarHBondContact O-N 3.29Å; S271-Q273 VanDerWaalsContact O-N 3.15Å
272N26.9Very low33.2Very low147 Ų147136.9 Ų136.979%0.78673%0.731SS**  trans-8475.6157.9-79.8-4.6000108.1S270 S274S270-N272 PolarHBondContact O-N 3.28Å; N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.26Å; N272-S274 VanDerWaalsContact O-N 3.16Å
273Q28.9Very low34.3Very low182 Ų182136.6 Ų136.685%0.8572%0.721SS**  trans-7091.7159.2-72.8-176.9-0.400108S271S271-Q273 PolarHBondContact O-N 3.29Å; S271-Q273 VanDerWaalsContact O-N 3.15Å
274S25.9Very low35.5Very low100 Ų100134.2 Ų134.270%0.69969%0.692SS**SBendtrans-164.1116155.639.50000111.3N272N272-S274 VanDerWaalsContact C-N 3.35Å; N272-S274 PolarHBondContact O-N 3.26Å; N272-S274 VanDerWaalsContact O-N 3.16Å
275E30.6Very low37.4Very low167 Ų167129.4 Ų129.478%0.7866%0.661SS**  trans75.765.4169.3-52.8-142.3171.700120.1H277E275-H277 PolarHBondContact O-N 3Å
276P44Very low39.4Very low78 Ų78124.5 Ų124.551%0.50664%0.636SS.*Hα-helixtrans-75-12.5174.928.9-33.2000115.6N280P276-N280 VanDerWaalsContact O-CG 3.29Å; P276-N280 PolarHBondContact O-ND2 2.84Å
277H40Very low41.6Very low162 Ų162119.4 Ų119.475%0.7561%0.61SS**Hα-helixtrans-75.3-41.2-166.8-73-63.9000115.4E275E275-H277 PolarHBondContact O-N 3Å
278K38.9Very low43.9Very low187 Ų187117.5 Ų117.581%0.81359%0.586SS**Hα-helixtrans-91.8-28.8-175.6-128.1175.3-174.8177.50113.3
279K44.5Very low46.5Very low166 Ų166113 Ų11372%0.72257%0.57SS**Hα-helixtrans-75.2-23.8-174.6-136.8173.1-176.4177.80113.1
280N51.6Low49Very low91 Ų91106.5 Ų106.549%0.48755%0.55SS.*Hα-helixtrans-87.4-30-173.4-70.3-6.4000114.4P276 L282 L283P276-N280 VanDerWaalsContact O-CG 3.29Å; P276-N280 PolarHBondContact O-ND2 2.84Å; N280-L282 PolarHBondContact O-N 3.25Å; N280-L283 VanDerWaalsContact O-CB 3.26Å; N280-L283 WeakPolarHBondContact O-CB 3.27Å; N280-L283 PolarHBondContact O-N 3.37Å; N280-L283 VanDerWaalsContact O-N 3.1Å
281W49.4Very low51.7Low134 Ų134102.4 Ų102.451%0.50852%0.521SS..Hα-helixtrans-63.5-41.4175.8179.481.4000112.1S94 L283S94-W281 PolarHBondContact OG-NE1 3.28Å; W281-L283 VanDerWaalsContact C-N 3.26Å; W281-L283 PolarHBondContact O-N 3.47Å
282L52.7Low54.4Low98 Ų98101.6 Ų101.651%0.51351%0.512SS..Hα-helixtrans-67.6-26.8173.2-69.5172.5000112.3N280 K284 S285 T286N280-L282 PolarHBondContact O-N 3.25Å; L282-K284 PolarHBondContact O-N 3.44Å; L282-S285 PolarHBondContact O-OG 3.37Å; L282-T286 WeakPolarHBondContact O-CB 3.02Å; L282-T286 PolarHBondContact O-N 3.25Å; L282-T286 PolarHBondContact O-OG1 3.24Å
283L54.6Low57.1Low100 Ų100105 Ų10552%0.52451%0.514SS..Hα-helixtrans-65.4-40.7-171.3-163.771.2000112.1N280 W281 T286 E287N280-L283 VanDerWaalsContact O-CB 3.26Å; N280-L283 WeakPolarHBondContact O-CB 3.27Å; N280-L283 PolarHBondContact O-N 3.37Å; N280-L283 VanDerWaalsContact O-N 3.1Å; W281-L283 VanDerWaalsContact C-N 3.26Å; W281-L283 PolarHBondContact O-N 3.47Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 3.07Å; L283-E287 PolarHBondContact O-N 2.92Å
284K56.6Low59.7Low47 Ų47100.2 Ų100.220%0.20450%0.501CS..Hα-helixtrans-87.9-32-176.7-148.2177.5-171.4170.80114.5D97 L282 T286 E287 M288 S487D97-K284 IonicContact OD1-NZ 2.66Å; D97-K284 PolarHBondContact OD1-NZ 2.95Å; D97-K284 WeakPolarHBondContact OD2-CD 3.48Å; D97-K284 VanDerWaalsContact OD2-CE 3.29Å; D97-K284 WeakPolarHBondContact OD2-CE 3.19Å; D97-K284 IonicContact OD2-NZ 3.68Å; D97-K284 PolarHBondContact OD2-NZ 3.49Å; L282-K284 PolarHBondContact O-N 3.44Å; K284-T286 PolarHBondContact O-N 3.23Å; K284-E287 HydrophobicContact CG-CB 4.27Å; K284-E287 WeakPolarHBondContact O-CB 3.34Å; K284-E287 PolarHBondContact O-N 3.11Å; K284-E287 VanDerWaalsContact O-N 3.09Å; K284-M288 WeakPolarHBondContact O-CG 3.44Å; K284-M288 PolarHBondContact O-N 3.13Å; K284-S487 VanDerWaalsContact CE-OG 3.24Å; K284-S487 WeakPolarHBondContact CE-OG 3.28Å
285S63.8Low62.5Low32 Ų3296.8 Ų96.822%0.22448%0.478CS..Hα-helixtrans-58.8-38.4164.6570000109.9L282 M288 I289L282-S285 PolarHBondContact O-OG 3.37Å; S285-M288 PolarHBondContact O-N 3.32Å; S285-I289 WeakPolarHBondContact O-CB 3.39Å; S285-I289 WeakPolarHBondContact O-CD1 3.35Å; S285-I289 WeakPolarHBondContact O-CG1 3.23Å; S285-I289 PolarHBondContact O-N 3.4Å
286T67.9Low65.2Low61 Ų6194 Ų9437%0.37447%0.469SS..Hα-helixtrans-62.8-41.9170.3-56.50000112.2L282 L283 K284 M288 I289 N290L282-T286 WeakPolarHBondContact O-CB 3.02Å; L282-T286 PolarHBondContact O-N 3.25Å; L282-T286 PolarHBondContact O-OG1 3.24Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 3.07Å; K284-T286 PolarHBondContact O-N 3.23Å; T286-M288 PolarHBondContact O-N 3.15Å; T286-I289 PolarHBondContact O-N 3.43Å; T286-N290 WeakPolarHBondContact O-CB 3.14Å; T286-N290 PolarHBondContact O-N 2.96Å; T286-N290 PolarHBondContact O-ND2 3.43Å
287E72Confident67.4Low81 Ų8195.6 Ų95.638%0.37947%0.472SS..Hα-helixtrans-60.8-42.7172.6-75.3-177.1-177.700112.9L283 K284 N290 L291 S487L283-E287 PolarHBondContact O-N 2.92Å; K284-E287 HydrophobicContact CG-CB 4.27Å; K284-E287 WeakPolarHBondContact O-CB 3.34Å; K284-E287 PolarHBondContact O-N 3.11Å; K284-E287 VanDerWaalsContact O-N 3.09Å; E287-N290 PolarHBondContact O-N 3.14Å; E287-L291 VanDerWaalsContact O-CB 3.27Å; E287-L291 WeakPolarHBondContact O-CB 3.32Å; E287-L291 PolarHBondContact O-N 2.98Å; E287-S487 PolarHBondContact OE2-OG 3Å
288M73.8Confident69.7Low19 Ų1989.3 Ų89.39%0.09444%0.443CS..Hα-helixtrans-62.9-45.7176-70.5177.766.800110.9K284 S285 T286 N290 L291 V292 V491 L494K284-M288 WeakPolarHBondContact O-CG 3.44Å; K284-M288 PolarHBondContact O-N 3.13Å; S285-M288 PolarHBondContact O-N 3.32Å; T286-M288 PolarHBondContact O-N 3.15Å; M288-N290 VanDerWaalsContact C-N 3.35Å; M288-L291 PolarHBondContact O-N 3.3Å; M288-V292 WeakPolarHBondContact O-CG2 3.34Å; M288-V292 PolarHBondContact O-N 3.44Å; M288-V491 HydrophobicContact CB-CG2 3.93Å; M288-V491 HydrophobicContact CE-CB 4.48Å; M288-V491 HydrophobicContact CE-CG2 3.72Å; M288-V491 HydrophobicContact CG-CG2 4.06Å; M288-L494 HydrophobicContact CE-CD2 4.49Å
289I76.6Confident72.2Confident109 Ų10980.8 Ų80.856%0.55941%0.407SS*.Hα-helixtrans-62.2-43.6176.2-68.9163.6000110.5S285 T286 L291 V292 R293S285-I289 WeakPolarHBondContact O-CB 3.39Å; S285-I289 WeakPolarHBondContact O-CD1 3.35Å; S285-I289 WeakPolarHBondContact O-CG1 3.23Å; S285-I289 PolarHBondContact O-N 3.4Å; T286-I289 PolarHBondContact O-N 3.43Å; I289-L291 VanDerWaalsContact C-N 3.34Å; I289-L291 PolarHBondContact O-N 3.32Å; I289-V292 PolarHBondContact O-N 3.46Å; I289-R293 VanDerWaalsContact O-CB 3.28Å; I289-R293 WeakPolarHBondContact O-CB 3.13Å; I289-R293 PolarHBondContact O-N 3.23Å
290N80.2Confident74.5Confident83 Ų8376.3 Ų76.344%0.44439%0.393SS..Hα-helixtrans-65.4-37.6177.5-75.2-16.1000111.6T286 E287 M288 R293 S294T286-N290 WeakPolarHBondContact O-CB 3.14Å; T286-N290 PolarHBondContact O-N 2.96Å; T286-N290 PolarHBondContact O-ND2 3.43Å; E287-N290 PolarHBondContact O-N 3.14Å; M288-N290 VanDerWaalsContact C-N 3.35Å; N290-R293 PolarHBondContact O-N 3.17Å; N290-S294 VanDerWaalsContact O-CB 3.31Å; N290-S294 WeakPolarHBondContact O-CB 3.42Å; N290-S294 PolarHBondContact O-N 2.98Å; N290-S294 PolarHBondContact O-OG 3.3Å
291L82.5Confident76.5Confident8 Ų873.5 Ų73.54%0.04238%0.378CS..Hα-helixtrans-64.9-43.9175-173.1153.2000111E287 M288 I289 R293 S294 A295 Y480 L484 L488 V491E287-L291 VanDerWaalsContact O-CB 3.27Å; E287-L291 WeakPolarHBondContact O-CB 3.32Å; E287-L291 PolarHBondContact O-N 2.98Å; M288-L291 PolarHBondContact O-N 3.3Å; I289-L291 VanDerWaalsContact C-N 3.34Å; I289-L291 PolarHBondContact O-N 3.32Å; L291-R293 VanDerWaalsContact C-N 3.33Å; L291-S294 PolarHBondContact O-N 3.47Å; L291-S294 PolarHBondContact O-OG 3.03Å; L291-A295 PolarHBondContact O-N 3.42Å; L291-A295 VanDerWaalsContact O-N 3.08Å; L291-Y480 HydrophobicContact CD1-CD1 4.46Å; L291-Y480 HydrophobicContact CD1-CE1 4.28Å; L291-Y480 HydrophobicContact CD2-CE1 4.26Å; L291-Y480 HydrophobicContact CG-CE1 4Å; L291-L484 HydrophobicContact CD1-CB 4.24Å; L291-L488 HydrophobicContact CD1-CB 4.07Å; L291-L488 HydrophobicContact CD1-CD1 4.44Å; L291-L488 HydrophobicContact CD2-CD1 3.89Å; L291-V491 HydrophobicContact CD2-CG2 4.46Å
292V80.6Confident78.6Confident82 Ų8267.2 Ų67.250%0.49736%0.355SS..Hα-helixtrans-64.3-40.2175.1172.50000110.8M288 I289 A295 V491M288-V292 WeakPolarHBondContact O-CG2 3.34Å; M288-V292 PolarHBondContact O-N 3.44Å; I289-V292 PolarHBondContact O-N 3.46Å; V292-A295 WeakPolarHBondContact O-CB 3.31Å; V292-A295 PolarHBondContact O-N 3.46Å; V292-V491 HydrophobicContact CG2-CG1 3.8Å; V292-V491 HydrophobicContact CG2-CG2 4.13Å
293R84.1Confident80.6Confident218 Ų21864.6 Ų64.682%0.82334%0.341SS*.Hα-helixtrans-70.2-34.8179.6-174177.2179.5175.60.8113.3I289 N290 L291 A295I289-R293 VanDerWaalsContact O-CB 3.28Å; I289-R293 WeakPolarHBondContact O-CB 3.13Å; I289-R293 PolarHBondContact O-N 3.23Å; N290-R293 PolarHBondContact O-N 3.17Å; L291-R293 VanDerWaalsContact C-N 3.33Å; R293-A295 VanDerWaalsContact C-N 3.32Å
294S84.3Confident82.6Confident82 Ų8262.5 Ų62.557%0.57333%0.332SS*.THydrogen-bonded Turntrans-91.88.7177.560.10000113.2N290 L291 N296N290-S294 VanDerWaalsContact O-CB 3.31Å; N290-S294 WeakPolarHBondContact O-CB 3.42Å; N290-S294 PolarHBondContact O-N 2.98Å; N290-S294 PolarHBondContact O-OG 3.3Å; L291-S294 PolarHBondContact O-N 3.47Å; L291-S294 PolarHBondContact O-OG 3.03Å; S294-N296 PolarHBondContact O-N 3.42Å
295A84.9Confident84.5Confident27 Ų2760.3 Ų60.322%0.22332%0.323CS..  trans-64126.5-177.300000111.4L291 V292 R293 T299 V300L291-A295 PolarHBondContact O-N 3.42Å; L291-A295 VanDerWaalsContact O-N 3.08Å; V292-A295 WeakPolarHBondContact O-CB 3.31Å; V292-A295 PolarHBondContact O-N 3.46Å; R293-A295 VanDerWaalsContact C-N 3.32Å; A295-T299 WeakPolarHBondContact CB-OG1 3.43Å; A295-V300 HydrophobicContact CB-CG2 3.87Å
296N86.7Confident86Confident110 Ų11058.8 Ų58.859%0.58831%0.312SS*.  trans-64.6152.9172.7-72.3-30.4000110.9S294 I298 T299 V300S294-N296 PolarHBondContact O-N 3.42Å; N296-I298 PolarHBondContact O-N 2.96Å; N296-I298 VanDerWaalsContact O-N 3.09Å; N296-T299 HydrophobicContact CB-CG2 4.18Å; N296-T299 PolarHBondContact N-OG1 2.9Å; N296-T299 WeakPolarHBondContact O-CA 3.45Å; N296-T299 WeakPolarHBondContact O-CB 3.41Å; N296-T299 PolarHBondContact O-N 3.31Å; N296-T299 PolarHBondContact O-OG1 3.36Å; N296-V300 PolarHBondContact O-N 3.19Å; N296-V300 VanDerWaalsContact O-N 3.11Å
297I89.7Confident87.4Confident111 Ų11158 Ų5857%0.56930%0.304SS*.Hα-helixtrans-53-38.4-179.7-168.1162.9000113.4T299 V300 L301I297-T299 VanDerWaalsContact C-N 3.34Å; I297-T299 PolarHBondContact O-N 2.94Å; I297-V300 PolarHBondContact O-N 3.38Å; I297-L301 HydrophobicContact CG1-CD1 4.21Å; I297-L301 HydrophobicContact CG1-CG 4.46Å; I297-L301 VanDerWaalsContact O-CG 3.26Å; I297-L301 WeakPolarHBondContact O-CG 3.39Å; I297-L301 PolarHBondContact O-N 2.84Å
298I89.2Confident88.6Confident30 Ų3055.1 Ų55.115%0.15429%0.291CS..Hα-helixtrans-63.3-42.4177.1-55.5174000110.8N296 V300 L301 V302 F475 L479 Y543N296-I298 PolarHBondContact O-N 2.96Å; N296-I298 VanDerWaalsContact O-N 3.09Å; I298-V300 VanDerWaalsContact C-N 3.34Å; I298-V300 PolarHBondContact O-N 3.38Å; I298-L301 PolarHBondContact O-N 3.33Å; I298-V302 HydrophobicContact CG2-CG2 4.16Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 2.92Å; I298-F475 HydrophobicContact CG2-CE1 4.37Å; I298-L479 HydrophobicContact CG2-CD1 4.1Å; I298-Y543 HydrophobicContact CD1-CD1 3.78Å; I298-Y543 HydrophobicContact CD1-CE1 3.42Å; I298-Y543 VanDerWaalsContact CD1-CE1 3.42Å; I298-Y543 HydrophobicContact CG1-CD1 4.29Å; I298-Y543 HydrophobicContact CG1-CE1 4.16Å
299T90.7Very high89.6Confident7 Ų754.2 Ų54.24%0.04329%0.286CS..Hα-helixtrans-65.3-41-17964.20000110.9A295 N296 I297 V302 L303 L479 Y480A295-T299 WeakPolarHBondContact CB-OG1 3.43Å; N296-T299 HydrophobicContact CB-CG2 4.18Å; N296-T299 PolarHBondContact N-OG1 2.9Å; N296-T299 WeakPolarHBondContact O-CA 3.45Å; N296-T299 WeakPolarHBondContact O-CB 3.41Å; N296-T299 PolarHBondContact O-N 3.31Å; N296-T299 PolarHBondContact O-OG1 3.36Å; I297-T299 VanDerWaalsContact C-N 3.34Å; I297-T299 PolarHBondContact O-N 2.94Å; T299-V302 PolarHBondContact O-N 3.23Å; T299-L303 VanDerWaalsContact O-CB 3.23Å; T299-L303 WeakPolarHBondContact O-CB 3.41Å; T299-L303 PolarHBondContact O-N 3.32Å; T299-L479 HydrophobicContact CG2-CB 4.14Å; T299-L479 HydrophobicContact CG2-CD1 3.6Å; T299-Y480 HydrophobicContact CG2-CE2 3.48Å; T299-Y480 VanDerWaalsContact CG2-CE2 3.48Å; T299-Y480 PolarHBondContact OG1-OH 3.09Å
300V92.6Very high90.5Very high72 Ų7249 Ų4944%0.43626%0.26SS..Hα-helixtrans-61.1-49.8173.6178.70000110.4A295 N296 I297 I298 V302 L303 T304A295-V300 HydrophobicContact CB-CG2 3.87Å; N296-V300 PolarHBondContact O-N 3.19Å; N296-V300 VanDerWaalsContact O-N 3.11Å; I297-V300 PolarHBondContact O-N 3.38Å; I298-V300 VanDerWaalsContact C-N 3.34Å; I298-V300 PolarHBondContact O-N 3.38Å; V300-V302 PolarHBondContact O-N 3.48Å; V300-L303 PolarHBondContact O-N 2.92Å; V300-T304 PolarHBondContact O-N 2.94Å; V300-T304 PolarHBondContact O-OG1 2.83Å
301L93.7Very high91.2Very high32 Ų3245.6 Ų45.617%0.16824%0.241CC..Hα-helixtrans-60.5-43.6-180-70.1170.2000112.6I297 I298 T304 V305 L536 Y539 I540I297-L301 HydrophobicContact CG1-CD1 4.21Å; I297-L301 HydrophobicContact CG1-CG 4.46Å; I297-L301 VanDerWaalsContact O-CG 3.26Å; I297-L301 WeakPolarHBondContact O-CG 3.39Å; I297-L301 PolarHBondContact O-N 2.84Å; I298-L301 PolarHBondContact O-N 3.33Å; L301-T304 PolarHBondContact O-N 3.41Å; L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 3.28Å; L301-L536 HydrophobicContact CD2-CD2 4.1Å; L301-Y539 HydrophobicContact CD1-CD1 3.85Å; L301-Y539 HydrophobicContact CD1-CE1 3.86Å; L301-I540 HydrophobicContact CB-CD1 3.87Å; L301-I540 HydrophobicContact CB-CG1 4.04Å; L301-I540 HydrophobicContact CD1-CG1 4.18Å
302V93.9Very high91.7Very high3 Ų345.2 Ų45.22%0.01824%0.239CC..Hα-helixtrans-70-36.2178.9-175.30000111I298 T299 V300 V305 L306 L472 F475 I476 I540I298-V302 HydrophobicContact CG2-CG2 4.16Å; I298-V302 WeakPolarHBondContact O-CG2 3.27Å; I298-V302 PolarHBondContact O-N 2.92Å; T299-V302 PolarHBondContact O-N 3.23Å; V300-V302 PolarHBondContact O-N 3.48Å; V302-V305 PolarHBondContact O-N 2.83Å; V302-L306 WeakPolarHBondContact O-CB 3.39Å; V302-L306 PolarHBondContact O-N 3.38Å; V302-L472 HydrophobicContact CG1-CD2 3.66Å; V302-F475 HydrophobicContact CG1-CD1 4.13Å; V302-F475 HydrophobicContact CG2-CD1 3.99Å; V302-F475 HydrophobicContact CG2-CE1 3.78Å; V302-I476 HydrophobicContact CB-CD1 4.32Å; V302-I476 HydrophobicContact CB-CG1 3.9Å; V302-I476 HydrophobicContact CG1-CD1 3.74Å; V302-I476 HydrophobicContact CG1-CG1 3.32Å; V302-I540 HydrophobicContact CG2-CD1 3.78Å
303L94.7Very high92.3Very high42 Ų4241.8 Ų41.822%0.2222%0.219CC..Hα-helixtrans-65.2-39.2174-170.767000111.3T299 V300 L306 F307 V491 I492 C495T299-L303 VanDerWaalsContact O-CB 3.23Å; T299-L303 WeakPolarHBondContact O-CB 3.41Å; T299-L303 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 2.92Å; L303-L306 PolarHBondContact O-N 3.26Å; L303-F307 WeakPolarHBondContact O-CB 3.29Å; L303-F307 PolarHBondContact O-N 2.9Å; L303-V491 HydrophobicContact CD2-CG1 4.37Å; L303-I492 HydrophobicContact CD1-CG1 4.27Å; L303-C495 HydrophobicContact CD1-CB 3.77Å; L303-C495 HydrophobicContact CG-CB 4.31Å
304T95.7Very high92.6Very high57 Ų5735.3 Ų35.335%0.3520%0.195SC..Hα-helixtrans-63.7-42172.3-54.50000111.8V300 L301 L306 F307 L308 L536V300-T304 PolarHBondContact O-N 2.94Å; V300-T304 PolarHBondContact O-OG1 2.83Å; L301-T304 PolarHBondContact O-N 3.41Å; T304-L306 VanDerWaalsContact C-N 3.34Å; T304-F307 WeakPolarHBondContact O-CB 3.46Å; T304-F307 PolarHBondContact O-N 2.76Å; T304-L308 HydrophobicContact CG2-CD1 4.21Å; T304-L308 HydrophobicContact CG2-CG 4.48Å; T304-L308 WeakPolarHBondContact O-CB 3.34Å; T304-L308 WeakPolarHBondContact O-CG 3.1Å; T304-L308 PolarHBondContact O-N 3.34Å; T304-L536 HydrophobicContact CG2-CD1 3.95Å
305V96.8Very high92.9Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-61.9-44.5174.4168.40000110.7L301 V302 L308 T309 L472 A533 L536 L537 I540L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 3.28Å; V302-V305 PolarHBondContact O-N 2.83Å; V305-L308 PolarHBondContact O-N 2.79Å; V305-T309 WeakPolarHBondContact O-CB 3.47Å; V305-T309 PolarHBondContact O-N 3.44Å; V305-T309 PolarHBondContact O-OG1 3.41Å; V305-L472 HydrophobicContact CG1-CD1 4.13Å; V305-L472 HydrophobicContact CG1-CD2 4.1Å; V305-A533 HydrophobicContact CG1-CB 4.42Å; V305-L536 HydrophobicContact CG2-CB 3.73Å; V305-L536 HydrophobicContact CG2-CD1 4.28Å; V305-L537 HydrophobicContact CG1-CD1 3.82Å; V305-L537 HydrophobicContact CG1-CD2 4.03Å; V305-L537 HydrophobicContact CG1-CG 3.79Å; V305-L537 HydrophobicContact CG2-CD2 4.37Å; V305-L537 HydrophobicContact CG2-CG 3.98Å; V305-I540 HydrophobicContact CG2-CD1 4.42Å
306L96.1Very high93.1Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-59.7-49.4176.6-179.363.8000110.6V302 L303 T304 L308 T309 T310 V469 L472 I476 I492 E496V302-L306 WeakPolarHBondContact O-CB 3.39Å; V302-L306 PolarHBondContact O-N 3.38Å; L303-L306 PolarHBondContact O-N 3.26Å; T304-L306 VanDerWaalsContact C-N 3.34Å; L306-L308 PolarHBondContact O-N 2.94Å; L306-T309 PolarHBondContact O-N 3.19Å; L306-T310 HydrophobicContact CD1-CG2 4.19Å; L306-T310 PolarHBondContact O-N 3.01Å; L306-T310 PolarHBondContact O-OG1 2.88Å; L306-V469 HydrophobicContact CD1-CG1 4.05Å; L306-V469 HydrophobicContact CD1-CG2 4.37Å; L306-L472 HydrophobicContact CB-CD1 4.39Å; L306-L472 HydrophobicContact CD1-CB 4.1Å; L306-L472 HydrophobicContact CD1-CD1 4.03Å; L306-I476 HydrophobicContact CD2-CD1 4.23Å; L306-I492 HydrophobicContact CD2-CG1 4.49Å; L306-I492 HydrophobicContact CD2-CG2 3.61Å; L306-E496 HydrophobicContact CD2-CG 4.5Å
307F97Very high93.1Very high46 Ų4627.4 Ų27.420%0.20215%0.15CC..Hα-helixtrans-54.2-51176.1178.6-91.1000112.4L303 T304 T309 T310 L311 L498 S499 I502L303-F307 WeakPolarHBondContact O-CB 3.29Å; L303-F307 PolarHBondContact O-N 2.9Å; T304-F307 WeakPolarHBondContact O-CB 3.46Å; T304-F307 PolarHBondContact O-N 2.76Å; F307-T309 VanDerWaalsContact C-N 3.3Å; F307-T309 PolarHBondContact O-N 3.01Å; F307-T310 PolarHBondContact O-N 3.36Å; F307-T310 PolarHBondContact O-OG1 2.77Å; F307-T310 VanDerWaalsContact O-OG1 3.13Å; F307-L311 HydrophobicContact CE1-CD2 4.1Å; F307-L311 WeakPolarHBondContact O-CB 3.3Å; F307-L311 PolarHBondContact O-N 2.96Å; F307-L498 HydrophobicContact CE2-CB 4.11Å; F307-S499 VanDerWaalsContact CE2-CA 3.42Å; F307-S499 WeakPolarHBondContact O-CB 3.31Å; F307-I502 HydrophobicContact CE2-CD1 4.3Å; F307-I502 HydrophobicContact CZ-CD1 3.76Å
308L97Very high93Very high19 Ų1922.7 Ų22.710%0.09913%0.125CC..Hα-helixtrans-65.3-36.3179.8-72.2175.1000111.8T304 V305 L306 L311 T312 L529 I532 A533 L536T304-L308 HydrophobicContact CG2-CD1 4.21Å; T304-L308 HydrophobicContact CG2-CG 4.48Å; T304-L308 WeakPolarHBondContact O-CB 3.34Å; T304-L308 WeakPolarHBondContact O-CG 3.1Å; T304-L308 PolarHBondContact O-N 3.34Å; V305-L308 PolarHBondContact O-N 2.79Å; L306-L308 PolarHBondContact O-N 2.94Å; L308-L311 HydrophobicContact CD2-CD2 4.34Å; L308-T312 WeakPolarHBondContact O-CG2 3.06Å; L308-T312 PolarHBondContact O-N 3.26Å; L308-T312 PolarHBondContact O-OG1 3.36Å; L308-L529 HydrophobicContact CD2-CD2 4.32Å; L308-I532 HydrophobicContact CD1-CB 4.36Å; L308-I532 HydrophobicContact CD1-CG2 3.94Å; L308-A533 HydrophobicContact CB-CB 3.85Å; L308-A533 HydrophobicContact CD1-CB 3.93Å; L308-L536 HydrophobicContact CD1-CD1 4.3Å
309T95.8Very high93Very high1 Ų121.2 Ų21.21%0.00612%0.118CC..Hα-helixtrans-67.1-46.3177.5-55.10000111V305 L306 F307 T312 T313 M430 I433 V468 V469V305-T309 WeakPolarHBondContact O-CB 3.47Å; V305-T309 PolarHBondContact O-N 3.44Å; V305-T309 PolarHBondContact O-OG1 3.41Å; L306-T309 PolarHBondContact O-N 3.19Å; F307-T309 VanDerWaalsContact C-N 3.3Å; F307-T309 PolarHBondContact O-N 3.01Å; T309-T312 PolarHBondContact O-N 3.43Å; T309-T312 PolarHBondContact O-OG1 3.32Å; T309-T313 HydrophobicContact CG2-CG2 4.41Å; T309-T313 VanDerWaalsContact O-CB 3.32Å; T309-T313 WeakPolarHBondContact O-CB 3.32Å; T309-T313 WeakPolarHBondContact O-CG2 3.43Å; T309-T313 PolarHBondContact O-N 2.92Å; T309-T313 VanDerWaalsContact O-N 3.16Å; T309-T313 PolarHBondContact O-OG1 2.95Å; T309-M430 HydrophobicContact CG2-CE 4.44Å; T309-M430 HydrophobicContact CG2-SD 3.88Å; T309-M430 WeakPolarHBondContact OG1-CE 3.34Å; T309-M430 PolarHBondContact OG1-SD 3.27Å; T309-M430 VanDerWaalsContact OG1-SD 3.34Å; T309-I433 HydrophobicContact CG2-CD1 3.96Å; T309-V468 HydrophobicContact CG2-CG1 4.06Å; T309-V469 HydrophobicContact CG2-CG2 4.5Å
310T94.7Very high93Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-71.1-34.9179.252.10000111.8L306 F307 T312 T313 Y314 V469 E496 S499L306-T310 HydrophobicContact CD1-CG2 4.19Å; L306-T310 PolarHBondContact O-N 3.01Å; L306-T310 PolarHBondContact O-OG1 2.88Å; F307-T310 PolarHBondContact O-N 3.36Å; F307-T310 PolarHBondContact O-OG1 2.77Å; F307-T310 VanDerWaalsContact O-OG1 3.13Å; T310-T312 VanDerWaalsContact C-N 3.33Å; T310-T312 PolarHBondContact O-N 2.91Å; T310-T313 PolarHBondContact O-N 3.45Å; T310-Y314 HydrophobicContact CG2-CD2 4.29Å; T310-Y314 HydrophobicContact CG2-CE1 4.28Å; T310-Y314 HydrophobicContact CG2-CE2 3.83Å; T310-Y314 WeakPolarHBondContact O-CB 3.38Å; T310-Y314 PolarHBondContact O-N 2.92Å; T310-V469 HydrophobicContact CG2-CG2 4.14Å; T310-E496 HydrophobicContact CG2-CG 4.05Å; T310-S499 VanDerWaalsContact CB-OG 3.31Å; T310-S499 WeakPolarHBondContact CB-OG 3.46Å; T310-S499 WeakPolarHBondContact OG1-CB 3.33Å; T310-S499 PolarHBondContact OG1-OG 2.85Å
311L95.1Very high93Very high11 Ų1117.7 Ų17.76%0.05810%0.097CC..Hα-helixtrans-54.7-45.7173.3178.364.9000112F307 L308 N315 S499 I502 G503 L529F307-L311 HydrophobicContact CE1-CD2 4.1Å; F307-L311 WeakPolarHBondContact O-CB 3.3Å; F307-L311 PolarHBondContact O-N 2.96Å; L308-L311 HydrophobicContact CD2-CD2 4.34Å; L311-N315 PolarHBondContact O-ND2 3.24Å; L311-S499 WeakPolarHBondContact CD1-O 3.37Å; L311-I502 HydrophobicContact CD1-CB 4.26Å; L311-I502 HydrophobicContact CD1-CG2 4.08Å; L311-G503 VanDerWaalsContact CD1-N 3.31Å; L311-L529 HydrophobicContact CD2-CD1 3.98Å
312T93.4Very high92.8Very high0 Ų016.2 Ų16.20%09%0.089CC..Hα-helixtrans-87.1-17.5-175.661.30000114.3L308 T309 T310 S526 L529 S530L308-T312 WeakPolarHBondContact O-CG2 3.06Å; L308-T312 PolarHBondContact O-N 3.26Å; L308-T312 PolarHBondContact O-OG1 3.36Å; T309-T312 PolarHBondContact O-N 3.43Å; T309-T312 PolarHBondContact O-OG1 3.32Å; T310-T312 VanDerWaalsContact C-N 3.33Å; T310-T312 PolarHBondContact O-N 2.91Å; T312-S526 WeakPolarHBondContact CG2-O 3.28Å; T312-L529 HydrophobicContact CG2-CB 3.59Å; T312-L529 HydrophobicContact CG2-CD1 4.12Å; T312-S530 PolarHBondContact OG1-OG 3.46Å; T312-S530 VanDerWaalsContact OG1-OG 3.09Å
313T92.1Very high92.7Very high10 Ų1016.1 Ų16.16%0.0619%0.088CC..Hα-helixtrans-106.2-42.8-172.759.50000113.3T309 T310 N315 E316 I433T309-T313 HydrophobicContact CG2-CG2 4.41Å; T309-T313 VanDerWaalsContact O-CB 3.32Å; T309-T313 WeakPolarHBondContact O-CB 3.32Å; T309-T313 WeakPolarHBondContact O-CG2 3.43Å; T309-T313 PolarHBondContact O-N 2.92Å; T309-T313 VanDerWaalsContact O-N 3.16Å; T309-T313 PolarHBondContact O-OG1 2.95Å; T310-T313 PolarHBondContact O-N 3.45Å; T313-N315 VanDerWaalsContact C-N 3.3Å; T313-N315 PolarHBondContact O-N 3.31Å; T313-E316 WeakPolarHBondContact O-CB 3.11Å; T313-E316 PolarHBondContact O-N 2.65Å; T313-I433 HydrophobicContact CG2-CD1 4.02Å; T313-I433 HydrophobicContact CG2-CG2 4.46Å
314Y90.2Very high92.5Very high81 Ų8114.1 Ų14.132%0.3188%0.078SC..THydrogen-bonded Turntrans-71.8-26.3-176.7-71-1.7000113L147 T310L147-Y314 HydrophobicContact CD1-CD2 4.3Å; L147-Y314 HydrophobicContact CD1-CE2 3.82Å; T310-Y314 HydrophobicContact CG2-CD2 4.29Å; T310-Y314 HydrophobicContact CG2-CE1 4.28Å; T310-Y314 HydrophobicContact CG2-CE2 3.83Å; T310-Y314 WeakPolarHBondContact O-CB 3.38Å; T310-Y314 PolarHBondContact O-N 2.92Å
315N90.2Very high92.1Very high0 Ų012 Ų120%06%0.064CC..THydrogen-bonded Turntrans-85.6-8.3-177.9-65.9-68.9000114L311 T313 G317 Q318 Y319 L500 G503 I504 L507L311-N315 PolarHBondContact O-ND2 3.24Å; T313-N315 VanDerWaalsContact C-N 3.3Å; T313-N315 PolarHBondContact O-N 3.31Å; N315-G317 VanDerWaalsContact C-N 3.29Å; N315-G317 PolarHBondContact O-N 3.13Å; N315-Q318 WeakPolarHBondContact O-CB 3.42Å; N315-Q318 PolarHBondContact O-N 3.02Å; N315-Y319 HydrophobicContact CB-CE1 4.44Å; N315-Y319 WeakPolarHBondContact O-CD1 3.49Å; N315-Y319 WeakPolarHBondContact O-CE1 3.48Å; N315-L500 WeakPolarHBondContact OD1-CD1 3.48Å; N315-L500 PolarHBondContact OD1-O 3.17Å; N315-G503 VanDerWaalsContact CG-C 3.48Å; N315-G503 WeakPolarHBondContact ND2-CA 3.24Å; N315-I504 WeakPolarHBondContact OD1-CA 3.46Å; N315-I504 PolarHBondContact OD1-N 2.6Å; N315-I504 VanDerWaalsContact OD1-N 3.1Å; N315-L507 HydrophobicContact CB-CD1 3.98Å
316E89.3Confident91.5Very high18 Ų1812.1 Ų12.18%0.0847%0.065CC..THydrogen-bonded Turntrans-56.6-40.2-170.9178.9167.5-146.200113.3T313 Q318 Y319 T320 K437T313-E316 WeakPolarHBondContact O-CB 3.11Å; T313-E316 PolarHBondContact O-N 2.65Å; E316-Q318 PolarHBondContact O-N 3.29Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; E316-Y319 PolarHBondContact O-N 2.99Å; E316-T320 WeakPolarHBondContact CG-OG1 3.2Å; E316-T320 WeakPolarHBondContact O-CB 3.41Å; E316-T320 PolarHBondContact O-N 3.38Å; E316-T320 PolarHBondContact O-OG1 3.38Å; E316-K437 IonicContact OE1-NZ 3.54Å; E316-K437 PolarHBondContact OE1-NZ 2.98Å; E316-K437 IonicContact OE2-NZ 3.02Å; E316-K437 PolarHBondContact OE2-NZ 3.25Å
317G86.4Confident90.8Very high35 Ų3514.8 Ų14.836%0.3618%0.082SC..Hα-helixtrans-64.4-17.8-179.300000114.7N315 F321N315-G317 VanDerWaalsContact C-N 3.29Å; N315-G317 PolarHBondContact O-N 3.13Å; G317-F321 WeakPolarHBondContact O-CD1 3.4Å
318Q87.8Confident90.2Very high12 Ų1215 Ų156%0.0569%0.088CC..Hα-helixtrans-77.2-22.2-176.6-65.1-70.3-23.500113.5N315 E316 F321 I504 P508N315-Q318 WeakPolarHBondContact O-CB 3.42Å; N315-Q318 PolarHBondContact O-N 3.02Å; E316-Q318 PolarHBondContact O-N 3.29Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; Q318-F321 WeakPolarHBondContact O-CE1 3.32Å; Q318-I504 HydrophobicContact CG-CD1 3.75Å; Q318-I504 HydrophobicContact CG-CG1 4.09Å; Q318-P508 HydrophobicContact CB-CG 4.05Å
319Y89.2Confident89.7Confident0 Ų014.7 Ų14.70%09%0.086CC..Hα-helixtrans-129.4-19-178.356.3-92.9000113.2N315 E316 F321 L322 Y323 L507 P508 V522 F523N315-Y319 HydrophobicContact CB-CE1 4.44Å; N315-Y319 WeakPolarHBondContact O-CD1 3.49Å; N315-Y319 WeakPolarHBondContact O-CE1 3.48Å; E316-Y319 PolarHBondContact O-N 2.99Å; Y319-F321 VanDerWaalsContact C-N 3.33Å; Y319-F321 PolarHBondContact O-N 3.48Å; Y319-L322 PolarHBondContact O-N 3.5Å; Y319-Y323 PolarHBondContact O-N 2.84Å; Y319-L507 HydrophobicContact CD1-CB 4.21Å; Y319-L507 HydrophobicContact CE1-CB 3.81Å; Y319-L507 HydrophobicContact CE1-CD1 4.11Å; Y319-P508 HydrophobicContact CD1-CG 4.25Å; Y319-V522 HydrophobicContact CD1-CG1 4.49Å; Y319-V522 HydrophobicContact CD2-CG1 3.97Å; Y319-V522 HydrophobicContact CE1-CG1 4.22Å; Y319-V522 HydrophobicContact CE2-CB 4.4Å; Y319-V522 HydrophobicContact CE2-CG1 3.65Å; Y319-V522 HydrophobicContact CG-CG1 4.38Å; Y319-F523 HydrophobicContact CD2-CE1 4.42Å; Y319-F523 HydrophobicContact CD2-CZ 4.11Å; Y319-F523 HydrophobicContact CE2-CD1 4.25Å; Y319-F523 AromaticContact CE2-CE1 3.69Å; Y319-F523 HydrophobicContact CE2-CE1 3.69Å; Y319-F523 HydrophobicContact CE2-CE2 4.49Å; Y319-F523 AromaticContact CE2-CZ 3.83Å; Y319-F523 HydrophobicContact CE2-CZ 3.83Å
320T92Very high89.2Confident4 Ų418.9 Ų18.93%0.02511%0.108CC..Hα-helixtrans-64.6-35.9179.9-600000112.5E316 Y323 L324 Y336 Y339E316-T320 WeakPolarHBondContact CG-OG1 3.2Å; E316-T320 WeakPolarHBondContact O-CB 3.41Å; E316-T320 PolarHBondContact O-N 3.38Å; E316-T320 PolarHBondContact O-OG1 3.38Å; T320-Y323 PolarHBondContact O-N 2.99Å; T320-L324 HydrophobicContact CG2-CD1 3.8Å; T320-L324 HydrophobicContact CG2-CG 4.35Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.37Å; T320-Y336 HydrophobicContact CG2-CE2 4.47Å; T320-Y339 HydrophobicContact CG2-CE1 4.23Å
321F91.3Very high88.8Confident1 Ų120 Ų200%0.00411%0.112CC..Hα-helixtrans-65.9-40.9175.685.3-84.7000111.6N31 Y35 T70 L74 G317 Q318 Y319 Y323 L324 M325 Y336N31-F321 HydrophobicContact CB-CE1 4.5Å; N31-F321 HydrophobicContact CB-CZ 4.45Å; Y35-F321 HydrophobicContact CG-CE2 4.5Å; T70-F321 HydrophobicContact CG2-CZ 4Å; L74-F321 HydrophobicContact CD2-CE1 3.67Å; L74-F321 HydrophobicContact CD2-CZ 3.92Å; G317-F321 WeakPolarHBondContact O-CD1 3.4Å; Q318-F321 WeakPolarHBondContact O-CE1 3.32Å; Y319-F321 VanDerWaalsContact C-N 3.33Å; Y319-F321 PolarHBondContact O-N 3.48Å; F321-Y323 VanDerWaalsContact C-N 3.34Å; F321-Y323 PolarHBondContact O-N 2.98Å; F321-L324 PolarHBondContact O-N 2.67Å; F321-M325 HydrophobicContact CD2-SD 3.87Å; F321-M325 VanDerWaalsContact O-CB 3.29Å; F321-M325 WeakPolarHBondContact O-CB 3.15Å; F321-M325 WeakPolarHBondContact O-CG 3.48Å; F321-M325 PolarHBondContact O-N 2.96Å; F321-Y336 HydrophobicContact CB-CD1 3.83Å; F321-Y336 HydrophobicContact CB-CD2 4.04Å; F321-Y336 HydrophobicContact CB-CE1 3.41Å; F321-Y336 VanDerWaalsContact CB-CE1 3.41Å; F321-Y336 HydrophobicContact CB-CE2 3.66Å; F321-Y336 HydrophobicContact CB-CG 4.13Å
322L89.8Confident88.4Confident0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-63.6-40.9174.8-67.3172.5000111.6Y35 T70 A71 Y319 G326 Y511Y35-L322 HydrophobicContact CD2-CD2 3.92Å; Y35-L322 HydrophobicContact CE2-CD2 4.14Å; T70-L322 HydrophobicContact CG2-CD1 4.38Å; T70-L322 HydrophobicContact CG2-CD2 3.82Å; A71-L322 HydrophobicContact CB-CD1 3.89Å; Y319-L322 PolarHBondContact O-N 3.5Å; L322-G326 PolarHBondContact O-N 3.15Å; L322-Y511 HydrophobicContact CB-CD1 4.49Å; L322-Y511 HydrophobicContact CB-CE1 3.73Å; L322-Y511 HydrophobicContact CD1-CD1 4.5Å; L322-Y511 HydrophobicContact CD1-CE1 4.35Å; L322-Y511 PolarHBondContact O-OH 3.02Å
323Y91.7Very high88Confident2 Ų220.9 Ų20.91%0.00812%0.12CC..Hα-helixtrans-61.2-45.2176.8177.1-114.5000112.4Y319 T320 F321 G326 F329 M440 F444 Y511 S519 F523Y319-Y323 PolarHBondContact O-N 2.84Å; T320-Y323 PolarHBondContact O-N 2.99Å; F321-Y323 VanDerWaalsContact C-N 3.34Å; F321-Y323 PolarHBondContact O-N 2.98Å; Y323-G326 PolarHBondContact O-N 3.18Å; Y323-F329 HydrophobicContact CD1-CE2 4.27Å; Y323-F329 HydrophobicContact CD2-CE2 4.48Å; Y323-F329 AromaticContact CE1-CE2 3.71Å; Y323-F329 HydrophobicContact CE1-CE2 3.71Å; Y323-F329 AromaticContact CE1-CZ 3.9Å; Y323-F329 HydrophobicContact CE1-CZ 3.9Å; Y323-F329 AromaticContact CE2-CE2 3.93Å; Y323-F329 HydrophobicContact CE2-CE2 3.93Å; Y323-F329 AromaticContact CZ-CE2 3.52Å; Y323-F329 AromaticContact CZ-CZ 3.83Å; Y323-F329 WeakPolarHBondContact O-CD2 3.48Å; Y323-M440 HydrophobicContact CD1-SD 4.42Å; Y323-M440 HydrophobicContact CE1-CG 4.1Å; Y323-M440 HydrophobicContact CE1-SD 3.97Å; Y323-M440 PolarHBondContact OH-O 3.34Å; Y323-F444 HydrophobicContact CE2-CB 4.41Å; Y323-F444 PolarHBondContact OH-N 3.11Å; Y323-Y511 WeakPolarHBondContact CA-OH 3.38Å; Y323-Y511 HydrophobicContact CD2-CE2 4.15Å; Y323-Y511 PolarHBondContact N-OH 2.72Å; Y323-S519 WeakPolarHBondContact CD2-O 3.33Å; Y323-F523 AromaticContact CD1-CE2 3.47Å; Y323-F523 HydrophobicContact CD1-CE2 3.47Å; Y323-F523 VanDerWaalsContact CD1-CE2 3.47Å; Y323-F523 AromaticContact CD1-CZ 3.91Å; Y323-F523 HydrophobicContact CD1-CZ 3.91Å; Y323-F523 HydrophobicContact CD2-CE2 4.06Å; Y323-F523 HydrophobicContact CE1-CD2 4.36Å; Y323-F523 AromaticContact CE1-CE2 3.71Å; Y323-F523 HydrophobicContact CE1-CE2 3.71Å; Y323-F523 HydrophobicContact CE1-CZ 4.36Å; Y323-F523 HydrophobicContact CE2-CE2 4.29Å; Y323-F523 AromaticContact CG-CE2 3.64Å; Y323-F523 HydrophobicContact CG-CE2 3.64Å; Y323-F523 HydrophobicContact CG-CZ 4.27Å
324L91.6Very high87.7Confident0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-79.1-26.4-178.5-65.1170.2000113.2T320 F321 G326 F329 W331 Y336 Y339 V455T320-L324 HydrophobicContact CG2-CD1 3.8Å; T320-L324 HydrophobicContact CG2-CG 4.35Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.37Å; F321-L324 PolarHBondContact O-N 2.67Å; L324-G326 VanDerWaalsContact C-N 3.29Å; L324-F329 HydrophobicContact CD2-CD1 4.28Å; L324-F329 HydrophobicContact CD2-CG 4.3Å; L324-F329 WeakPolarHBondContact O-CB 3.41Å; L324-W331 HydrophobicContact CB-CD2 4.16Å; L324-W331 HydrophobicContact CB-CE3 3.88Å; L324-W331 HydrophobicContact CB-CG 4.47Å; L324-W331 HydrophobicContact CB-CZ3 4.42Å; L324-W331 HydrophobicContact CD1-CE3 3.93Å; L324-W331 HydrophobicContact CD1-CH2 4.38Å; L324-W331 HydrophobicContact CD1-CZ3 3.66Å; L324-W331 HydrophobicContact CD2-CE3 4.38Å; L324-W331 HydrophobicContact CD2-CH2 4.29Å; L324-W331 HydrophobicContact CD2-CZ2 4.47Å; L324-W331 HydrophobicContact CD2-CZ3 4.22Å; L324-W331 HydrophobicContact CG-CE3 4.28Å; L324-W331 HydrophobicContact CG-CZ3 4.32Å; L324-W331 WeakPolarHBondContact O-CB 3.38Å; L324-W331 PolarHBondContact O-N 3.38Å; L324-Y336 HydrophobicContact CD1-CD2 3.91Å; L324-Y336 HydrophobicContact CD1-CE2 4.11Å; L324-Y339 HydrophobicContact CD1-CD1 3.76Å; L324-Y339 HydrophobicContact CD1-CE1 3.63Å; L324-Y339 HydrophobicContact CD1-CG 4.4Å; L324-V455 HydrophobicContact CD2-CG1 3.98Å; L324-V455 HydrophobicContact CD2-CG2 3.85Å
325M87.1Confident87.7Confident13 Ų1322.3 Ų22.36%0.06413%0.129CC..Hα-helixtrans-78.8-17.1171.4-70.6178.4174.900112.4Y35 F321 W331 V333 Y336Y35-M325 HydrophobicContact CD1-SD 4.16Å; Y35-M325 HydrophobicContact CE1-SD 4.07Å; F321-M325 HydrophobicContact CD2-SD 3.87Å; F321-M325 VanDerWaalsContact O-CB 3.29Å; F321-M325 WeakPolarHBondContact O-CB 3.15Å; F321-M325 WeakPolarHBondContact O-CG 3.48Å; F321-M325 PolarHBondContact O-N 2.96Å; M325-W331 WeakPolarHBondContact CG-O 3.34Å; M325-V333 HydrophobicContact CE-CB 4.28Å; M325-V333 HydrophobicContact CE-CG2 3.7Å; M325-Y336 HydrophobicContact CE-CG 4.45Å
326G83.9Confident87.7Confident1 Ų123 Ų231%0.0113%0.132CC..SBendtrans-81166.7174.600000114.4L322 Y323 L324 F329 N330L322-G326 PolarHBondContact O-N 3.15Å; Y323-G326 PolarHBondContact O-N 3.18Å; L324-G326 VanDerWaalsContact C-N 3.29Å; G326-F329 PolarHBondContact O-N 2.88Å; G326-N330 PolarHBondContact O-N 2.85Å
327P81.4Confident87.8Confident56 Ų5622.1 Ų22.136%0.36413%0.128SC..THydrogen-bonded Turntrans-64.8145.8171.828.3-34000110.8
328P83.6Confident88Confident51 Ų5126.8 Ų26.833%0.33114%0.135SC..THydrogen-bonded Turncis-86.91.64.535.7-37.6000115.1F444P328-F444 HydrophobicContact CG-CB 4.31Å
329F87.6Confident88.3Confident13 Ų1326.7 Ų26.76%0.05714%0.135CC..THydrogen-bonded Turntrans-79.3-46.5-171.4-54.3-82.6000112.9Y323 L324 G326 W331 A443 F444 H451 V455Y323-F329 HydrophobicContact CD1-CE2 4.27Å; Y323-F329 HydrophobicContact CD2-CE2 4.48Å; Y323-F329 AromaticContact CE1-CE2 3.71Å; Y323-F329 HydrophobicContact CE1-CE2 3.71Å; Y323-F329 AromaticContact CE1-CZ 3.9Å; Y323-F329 HydrophobicContact CE1-CZ 3.9Å; Y323-F329 AromaticContact CE2-CE2 3.93Å; Y323-F329 HydrophobicContact CE2-CE2 3.93Å; Y323-F329 AromaticContact CZ-CE2 3.52Å; Y323-F329 AromaticContact CZ-CZ 3.83Å; Y323-F329 WeakPolarHBondContact O-CD2 3.48Å; L324-F329 HydrophobicContact CD2-CD1 4.28Å; L324-F329 HydrophobicContact CD2-CG 4.3Å; L324-F329 WeakPolarHBondContact O-CB 3.41Å; G326-F329 PolarHBondContact O-N 2.88Å; F329-W331 VanDerWaalsContact C-N 3.3Å; F329-W331 HydrophobicContact CB-CG 4.45Å; F329-W331 PolarHBondContact O-N 3.45Å; F329-A443 HydrophobicContact CE1-CB 4.14Å; F329-A443 HydrophobicContact CZ-CB 3.78Å; F329-F444 HydrophobicContact CE2-CB 4.21Å; F329-F444 HydrophobicContact CZ-CB 4.39Å; F329-H451 HydrophobicContact CD1-CB 4.22Å; F329-H451 AromaticContact CD1-CD2 3.51Å; F329-H451 HydrophobicContact CE1-CB 3.63Å; F329-H451 AromaticContact CE1-CD2 3.84Å; F329-H451 HydrophobicContact CZ-CB 4.24Å; F329-V455 HydrophobicContact CD1-CG2 4.19Å; F329-V455 HydrophobicContact CE1-CG2 3.5Å; F329-V455 HydrophobicContact CZ-CG2 4.11Å
330N84.4Confident88.4Confident88 Ų8827.7 Ų27.747%0.47114%0.141SC..  trans48.845.2-179.1-64.8-42.5000113.7G326G326-N330 PolarHBondContact O-N 2.85Å
331W87.8Confident88.5Confident23 Ų2327.5 Ų27.59%0.08714%0.141CC..  trans-71.2147.5-179.4-72.28.6000112.8L324 M325 F329 Q335 Y339 N452 V455 F456L324-W331 HydrophobicContact CB-CD2 4.16Å; L324-W331 HydrophobicContact CB-CE3 3.88Å; L324-W331 HydrophobicContact CB-CG 4.47Å; L324-W331 HydrophobicContact CB-CZ3 4.42Å; L324-W331 HydrophobicContact CD1-CE3 3.93Å; L324-W331 HydrophobicContact CD1-CH2 4.38Å; L324-W331 HydrophobicContact CD1-CZ3 3.66Å; L324-W331 HydrophobicContact CD2-CE3 4.38Å; L324-W331 HydrophobicContact CD2-CH2 4.29Å; L324-W331 HydrophobicContact CD2-CZ2 4.47Å; L324-W331 HydrophobicContact CD2-CZ3 4.22Å; L324-W331 HydrophobicContact CG-CE3 4.28Å; L324-W331 HydrophobicContact CG-CZ3 4.32Å; L324-W331 WeakPolarHBondContact O-CB 3.38Å; L324-W331 PolarHBondContact O-N 3.38Å; M325-W331 WeakPolarHBondContact CG-O 3.34Å; F329-W331 VanDerWaalsContact C-N 3.3Å; F329-W331 HydrophobicContact CB-CG 4.45Å; F329-W331 PolarHBondContact O-N 3.45Å; W331-Q335 VanDerWaalsContact CA-OE1 3.25Å; W331-Q335 HydrophobicContact CB-CB 4.08Å; W331-Q335 HydrophobicContact CD2-CB 4.35Å; W331-Q335 HydrophobicContact CE3-CB 4.41Å; W331-Q335 HydrophobicContact CG-CB 4.24Å; W331-Y339 AromaticContact CH2-CD2 3.85Å; W331-Y339 HydrophobicContact CH2-CD2 3.85Å; W331-Y339 HydrophobicContact CH2-CG 4.02Å; W331-Y339 VanDerWaalsContact CZ3-CB 3.4Å; W331-Y339 HydrophobicContact CZ3-CD1 4.09Å; W331-Y339 AromaticContact CZ3-CD2 3.85Å; W331-Y339 HydrophobicContact CZ3-CD2 3.85Å; W331-Y339 AromaticContact CZ3-CG 3.52Å; W331-Y339 HydrophobicContact CZ3-CG 3.52Å; W331-N452 PolarHBondContact NE1-OD1 3.33Å; W331-V455 HydrophobicContact CH2-CG1 3.78Å; W331-V455 HydrophobicContact CZ2-CG1 4.28Å; W331-F456 HydrophobicContact CH2-CZ 4.26Å
332S85Confident88.6Confident24 Ų2430.8 Ų30.817%0.16816%0.158CC..  trans-79.5168.5169.370.90000112D334 Q335 Y336S332-D334 VanDerWaalsContact C-N 3.26Å; S332-D334 PolarHBondContact O-N 2.91Å; S332-Q335 PolarHBondContact O-N 3.14Å; S332-Q335 WeakPolarHBondContact OG-CG 3.41Å; S332-Q335 PolarHBondContact OG-N 2.85Å; S332-Y336 PolarHBondContact O-N 3.22Å
333V85.4Confident88.7Confident7 Ų731.8 Ų31.84%0.04216%0.163CC..Hα-helixtrans-59.4-38.2176.4177.60000111.8F28 Q32 Y46 I211 M325 Y336 G337F28-V333 HydrophobicContact CE1-CG1 4.34Å; F28-V333 HydrophobicContact CZ-CG1 4.5Å; Q32-V333 HydrophobicContact CG-CG1 3.9Å; Y46-V333 HydrophobicContact CE2-CG2 3.89Å; Y46-V333 WeakPolarHBondContact OH-CB 3.31Å; Y46-V333 WeakPolarHBondContact OH-CG2 3.48Å; I211-V333 HydrophobicContact CD1-CG1 4.45Å; I211-V333 HydrophobicContact CG2-CG1 4.28Å; M325-V333 HydrophobicContact CE-CB 4.28Å; M325-V333 HydrophobicContact CE-CG2 3.7Å; V333-Y336 PolarHBondContact O-N 3.15Å; V333-G337 PolarHBondContact O-N 3.42Å
334D85.6Confident88.7Confident21 Ų2132.6 Ų32.611%0.11217%0.169CC..Hα-helixtrans-63.6-48.6174.7-80.9-5000113.2V209 D212 S332 Y336 G337 Y338V209-D334 WeakPolarHBondContact CA-OD1 3.38Å; V209-D334 PolarHBondContact N-OD1 2.95Å; D212-D334 WeakPolarHBondContact CB-OD1 3.43Å; D212-D334 WeakPolarHBondContact CB-OD2 3.45Å; S332-D334 VanDerWaalsContact C-N 3.26Å; S332-D334 PolarHBondContact O-N 2.91Å; D334-Y336 VanDerWaalsContact C-N 3.26Å; D334-Y336 PolarHBondContact O-N 3.45Å; D334-G337 CarbonylContact O-C 3.58Å; D334-G337 WeakPolarHBondContact O-CA 3.38Å; D334-G337 PolarHBondContact O-N 3.21Å; D334-Y338 HydrophobicContact CB-CD2 4.47Å; D334-Y338 HydrophobicContact CB-CE2 4.29Å; D334-Y338 WeakPolarHBondContact O-CD2 3.3Å; D334-Y338 PolarHBondContact O-N 3.04Å
335Q89.8Confident88.9Confident99 Ų9935.1 Ų35.146%0.46318%0.184SC..Hα-helixtrans-59.7-41.7179.2-71.1175-8.800110.9W331 S332 Y338 Y339W331-Q335 VanDerWaalsContact CA-OE1 3.25Å; W331-Q335 HydrophobicContact CB-CB 4.08Å; W331-Q335 HydrophobicContact CD2-CB 4.35Å; W331-Q335 HydrophobicContact CE3-CB 4.41Å; W331-Q335 HydrophobicContact CG-CB 4.24Å; S332-Q335 PolarHBondContact O-N 3.14Å; S332-Q335 WeakPolarHBondContact OG-CG 3.41Å; S332-Q335 PolarHBondContact OG-N 2.85Å; Q335-Y338 PolarHBondContact O-N 3.35Å; Q335-Y339 WeakPolarHBondContact O-CB 3.44Å; Q335-Y339 PolarHBondContact O-N 3.47Å
336Y90.8Very high89.2Confident14 Ų1435.7 Ų35.76%0.05519%0.188CC..Hα-helixtrans-66.3-39.2172.9-179.4-106.6000112.6F28 T320 F321 L324 M325 S332 V333 D334 Y339 S340F28-Y336 HydrophobicContact CD2-CE1 4.22Å; F28-Y336 AromaticContact CE2-CD1 3.59Å; F28-Y336 HydrophobicContact CE2-CD1 3.59Å; F28-Y336 AromaticContact CE2-CE1 3.51Å; F28-Y336 HydrophobicContact CE2-CE1 3.51Å; F28-Y336 AromaticContact CZ-CD1 3.95Å; F28-Y336 HydrophobicContact CZ-CD1 3.95Å; F28-Y336 HydrophobicContact CZ-CE1 4.31Å; T320-Y336 HydrophobicContact CG2-CE2 4.47Å; F321-Y336 HydrophobicContact CB-CD1 3.83Å; F321-Y336 HydrophobicContact CB-CD2 4.04Å; F321-Y336 HydrophobicContact CB-CE1 3.41Å; F321-Y336 VanDerWaalsContact CB-CE1 3.41Å; F321-Y336 HydrophobicContact CB-CE2 3.66Å; F321-Y336 HydrophobicContact CB-CG 4.13Å; L324-Y336 HydrophobicContact CD1-CD2 3.91Å; L324-Y336 HydrophobicContact CD1-CE2 4.11Å; M325-Y336 HydrophobicContact CE-CG 4.45Å; S332-Y336 PolarHBondContact O-N 3.22Å; V333-Y336 PolarHBondContact O-N 3.15Å; D334-Y336 VanDerWaalsContact C-N 3.26Å; D334-Y336 PolarHBondContact O-N 3.45Å; Y336-Y339 HydrophobicContact CD2-CD1 4.11Å; Y336-Y339 HydrophobicContact CE2-CD1 4.09Å; Y336-Y339 HydrophobicContact CE2-CE1 4.42Å; Y336-Y339 PolarHBondContact O-N 3.19Å; Y336-S340 WeakPolarHBondContact O-CB 3.41Å; Y336-S340 PolarHBondContact O-N 3.42Å
337G90.9Very high89.7Confident0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-60.3-43.8174.700000112.8S205 V333 D334 G341S205-G337 PolarHBondContact OG-O 2.9Å; V333-G337 PolarHBondContact O-N 3.42Å; D334-G337 CarbonylContact O-C 3.58Å; D334-G337 WeakPolarHBondContact O-CA 3.38Å; D334-G337 PolarHBondContact O-N 3.21Å; G337-G341 PolarHBondContact O-N 3.39Å
338Y92.2Very high90.2Very high133 Ų13333.5 Ų33.552%0.52217%0.173SC..Hα-helixtrans-64.4-45.7173.3-73.5-61.7000112.1V209 D334 Q335 L342V209-Y338 HydrophobicContact CG2-CE1 4.15Å; V209-Y338 HydrophobicContact CG2-CE2 4.2Å; V209-Y338 WeakPolarHBondContact CG2-OH 3.44Å; D334-Y338 HydrophobicContact CB-CD2 4.47Å; D334-Y338 HydrophobicContact CB-CE2 4.29Å; D334-Y338 WeakPolarHBondContact O-CD2 3.3Å; D334-Y338 PolarHBondContact O-N 3.04Å; Q335-Y338 PolarHBondContact O-N 3.35Å; Y338-L342 VanDerWaalsContact O-CB 3.25Å; Y338-L342 WeakPolarHBondContact O-CB 3.4Å; Y338-L342 PolarHBondContact O-N 2.95Å
339Y92.9Very high90.7Very high11 Ų1135.8 Ų35.84%0.04318%0.182CC..Hα-helixtrans-62.3-47176.8165.8-96.5000112.5T320 L324 W331 Q335 Y336 G341 L342 N343 M440 V455 F456 L459T320-Y339 HydrophobicContact CG2-CE1 4.23Å; L324-Y339 HydrophobicContact CD1-CD1 3.76Å; L324-Y339 HydrophobicContact CD1-CE1 3.63Å; L324-Y339 HydrophobicContact CD1-CG 4.4Å; W331-Y339 AromaticContact CH2-CD2 3.85Å; W331-Y339 HydrophobicContact CH2-CD2 3.85Å; W331-Y339 HydrophobicContact CH2-CG 4.02Å; W331-Y339 VanDerWaalsContact CZ3-CB 3.4Å; W331-Y339 HydrophobicContact CZ3-CD1 4.09Å; W331-Y339 AromaticContact CZ3-CD2 3.85Å; W331-Y339 HydrophobicContact CZ3-CD2 3.85Å; W331-Y339 AromaticContact CZ3-CG 3.52Å; W331-Y339 HydrophobicContact CZ3-CG 3.52Å; Q335-Y339 WeakPolarHBondContact O-CB 3.44Å; Q335-Y339 PolarHBondContact O-N 3.47Å; Y336-Y339 HydrophobicContact CD2-CD1 4.11Å; Y336-Y339 HydrophobicContact CE2-CD1 4.09Å; Y336-Y339 HydrophobicContact CE2-CE1 4.42Å; Y336-Y339 PolarHBondContact O-N 3.19Å; Y339-G341 VanDerWaalsContact C-N 3.33Å; Y339-G341 PolarHBondContact O-N 3.48Å; Y339-L342 PolarHBondContact O-N 2.96Å; Y339-N343 VanDerWaalsContact O-CB 3.31Å; Y339-N343 WeakPolarHBondContact O-CB 3.28Å; Y339-N343 PolarHBondContact O-N 3.38Å; Y339-M440 WeakPolarHBondContact OH-CE 3.19Å; Y339-V455 HydrophobicContact CD2-CG1 4.09Å; Y339-V455 HydrophobicContact CE2-CG1 3.51Å; Y339-F456 HydrophobicContact CD2-CE1 4.33Å; Y339-L459 HydrophobicContact CD2-CD1 3.8Å; Y339-L459 HydrophobicContact CE2-CB 4.27Å; Y339-L459 HydrophobicContact CE2-CD1 3.55Å; Y339-L459 HydrophobicContact CE2-CG 4.49Å
340S91.5Very high90.9Very high20 Ų2039.6 Ų39.614%0.1420%0.198CC..Hα-helixtrans-62-43.4-179.8-172.60000111.1Y336 S344Y336-S340 WeakPolarHBondContact O-CB 3.41Å; Y336-S340 PolarHBondContact O-N 3.42Å; S340-S344 WeakPolarHBondContact O-CB 3.37Å; S340-S344 PolarHBondContact O-N 3.45Å; S340-S344 PolarHBondContact O-OG 2.95Å
341G93.2Very high91.3Very high1 Ų135.4 Ų35.41%0.0118%0.176CC..Hα-helixtrans-69.3-37.9174.700000113.6S205 G337 Y339 S344 T345S205-G341 WeakPolarHBondContact OG-CA 3.35Å; G337-G341 PolarHBondContact O-N 3.39Å; Y339-G341 VanDerWaalsContact C-N 3.33Å; Y339-G341 PolarHBondContact O-N 3.48Å; G341-S344 PolarHBondContact O-N 2.86Å; G341-T345 VanDerWaalsContact O-CB 3.23Å; G341-T345 WeakPolarHBondContact O-CB 3.37Å; G341-T345 PolarHBondContact O-N 3.37Å; G341-T345 PolarHBondContact O-OG1 3.01Å
342L93.5Very high91.5Very high70 Ų7037.4 Ų37.437%0.36619%0.185SC..Hα-helixtrans-62.6-48.2174.1179.865.4000111.3Y338 Y339 S344 T345 L346 F456 L459Y338-L342 VanDerWaalsContact O-CB 3.25Å; Y338-L342 WeakPolarHBondContact O-CB 3.4Å; Y338-L342 PolarHBondContact O-N 2.95Å; Y339-L342 PolarHBondContact O-N 2.96Å; L342-S344 VanDerWaalsContact C-N 3.35Å; L342-S344 PolarHBondContact O-N 3.14Å; L342-T345 PolarHBondContact O-N 3.48Å; L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CG 4.33Å; L342-L346 HydrophobicContact CG-CD1 4.02Å; L342-L346 WeakPolarHBondContact O-CG 3.23Å; L342-L346 PolarHBondContact O-N 3.17Å; L342-F456 HydrophobicContact CD2-CD1 4.37Å; L342-F456 HydrophobicContact CD2-CE1 4.19Å; L342-L459 HydrophobicContact CD2-CD1 4.26Å; L342-L459 HydrophobicContact CG-CD1 4.33Å
343N92.9Very high91.9Very high21 Ų2138 Ų3811%0.11220%0.195CC..Hα-helixtrans-56.2-50.4176.9-17937.4000110.8Y339 L346 L347 L459Y339-N343 VanDerWaalsContact O-CB 3.31Å; Y339-N343 WeakPolarHBondContact O-CB 3.28Å; Y339-N343 PolarHBondContact O-N 3.38Å; N343-L346 PolarHBondContact O-N 3Å; N343-L347 WeakPolarHBondContact O-CB 3.45Å; N343-L347 WeakPolarHBondContact O-CD1 3.36Å; N343-L347 VanDerWaalsContact O-CG 3.25Å; N343-L347 WeakPolarHBondContact O-CG 3.44Å; N343-L347 PolarHBondContact O-N 3.49Å; N343-L347 WeakPolarHBondContact OD1-CD1 3.47Å; N343-L459 HydrophobicContact CB-CD1 3.75Å; N343-L459 HydrophobicContact CB-CG 4.14Å
344S92.3Very high92.2Very high19 Ų1939 Ų3913%0.13320%0.2CC..Hα-helixtrans-66.8-38.8179.9-56.20000111.6V197 S340 G341 L342 L346 L347 G348V197-S344 WeakPolarHBondContact CG1-O 3.4Å; S340-S344 WeakPolarHBondContact O-CB 3.37Å; S340-S344 PolarHBondContact O-N 3.45Å; S340-S344 PolarHBondContact O-OG 2.95Å; G341-S344 PolarHBondContact O-N 2.86Å; L342-S344 VanDerWaalsContact C-N 3.35Å; L342-S344 PolarHBondContact O-N 3.14Å; S344-L346 PolarHBondContact O-N 3.05Å; S344-L347 PolarHBondContact O-N 3.46Å; S344-G348 PolarHBondContact O-N 3.41Å
345T94.2Very high92.5Very high52 Ų5238.1 Ų38.132%0.31920%0.196SC..Hα-helixtrans-61.3-47.8176.7-61.20000111.1L198 A201 G341 L342 G348 L349L198-T345 HydrophobicContact CD2-CG2 4.41Å; A201-T345 WeakPolarHBondContact CB-OG1 3.19Å; G341-T345 VanDerWaalsContact O-CB 3.23Å; G341-T345 WeakPolarHBondContact O-CB 3.37Å; G341-T345 PolarHBondContact O-N 3.37Å; G341-T345 PolarHBondContact O-OG1 3.01Å; L342-T345 PolarHBondContact O-N 3.48Å; T345-G348 PolarHBondContact O-N 3.22Å; T345-L349 HydrophobicContact CG2-CD1 3.92Å; T345-L349 HydrophobicContact CG2-CG 4.3Å; T345-L349 WeakPolarHBondContact O-CB 3.35Å; T345-L349 VanDerWaalsContact O-CG 3.31Å; T345-L349 WeakPolarHBondContact O-CG 3.32Å; T345-L349 PolarHBondContact O-N 3.12Å
346L94Very high92.6Very high26 Ų2640.9 Ų40.914%0.13620%0.202CC..Hα-helixtrans-64.8-45.9178.4-71167000111.3L342 N343 S344 G348 F350 L459 F460 V463L342-L346 HydrophobicContact CD1-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CG 4.33Å; L342-L346 HydrophobicContact CG-CD1 4.02Å; L342-L346 WeakPolarHBondContact O-CG 3.23Å; L342-L346 PolarHBondContact O-N 3.17Å; N343-L346 PolarHBondContact O-N 3Å; S344-L346 PolarHBondContact O-N 3.05Å; L346-G348 VanDerWaalsContact C-N 3.31Å; L346-G348 PolarHBondContact O-N 3.06Å; L346-F350 HydrophobicContact CD2-CE2 4.21Å; L346-F350 WeakPolarHBondContact O-CB 3.33Å; L346-F350 VanDerWaalsContact O-CD2 3.24Å; L346-F350 WeakPolarHBondContact O-CD2 3.16Å; L346-F350 PolarHBondContact O-N 3.11Å; L346-L459 HydrophobicContact CD1-CD2 3.29Å; L346-F460 HydrophobicContact CD1-CD1 4.41Å; L346-F460 HydrophobicContact CD1-CE1 4.1Å; L346-V463 HydrophobicContact CB-CG2 3.82Å; L346-V463 HydrophobicContact CD1-CG2 4.49Å
347L93.8Very high92.6Very high11 Ų1142.6 Ų42.66%0.05821%0.214CC..Hα-helixtrans-58.8-43175.6-73.8164.5000111.9V197 N343 S344 S351 S466V197-L347 HydrophobicContact CG1-CB 3.86Å; N343-L347 WeakPolarHBondContact O-CB 3.45Å; N343-L347 WeakPolarHBondContact O-CD1 3.36Å; N343-L347 VanDerWaalsContact O-CG 3.25Å; N343-L347 WeakPolarHBondContact O-CG 3.44Å; N343-L347 PolarHBondContact O-N 3.49Å; N343-L347 WeakPolarHBondContact OD1-CD1 3.47Å; S344-L347 PolarHBondContact O-N 3.46Å; L347-S351 WeakPolarHBondContact O-CB 3.39Å; L347-S351 PolarHBondContact O-N 3.36Å; L347-S466 PolarHBondContact O-OG 3.13Å
348G93.2Very high92.5Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-66.2-50.9179.300000112.9S344 T345 L346 F350 S351 F352S344-G348 PolarHBondContact O-N 3.41Å; T345-G348 PolarHBondContact O-N 3.22Å; L346-G348 VanDerWaalsContact C-N 3.31Å; L346-G348 PolarHBondContact O-N 3.06Å; G348-F350 PolarHBondContact O-N 3.46Å; G348-S351 VanDerWaalsContact O-CB 3.27Å; G348-S351 WeakPolarHBondContact O-CB 3.26Å; G348-S351 PolarHBondContact O-N 3.14Å; G348-S351 VanDerWaalsContact O-N 3.08Å; G348-F352 WeakPolarHBondContact O-CD2 3.5Å; G348-F352 WeakPolarHBondContact O-CE2 3.5Å; G348-F352 PolarHBondContact O-N 3.4Å
349L93.5Very high92.4Very high99 Ų9937.7 Ų37.752%0.51820%0.198SC..Hα-helixtrans-59.5-45.9178.2-71.5177.1000111.9L198 T345 S351 F352 G353L198-L349 HydrophobicContact CD2-CG 4.26Å; T345-L349 HydrophobicContact CG2-CD1 3.92Å; T345-L349 HydrophobicContact CG2-CG 4.3Å; T345-L349 WeakPolarHBondContact O-CB 3.35Å; T345-L349 VanDerWaalsContact O-CG 3.31Å; T345-L349 WeakPolarHBondContact O-CG 3.32Å; T345-L349 PolarHBondContact O-N 3.12Å; L349-S351 VanDerWaalsContact C-N 3.28Å; L349-S351 PolarHBondContact O-N 2.94Å; L349-F352 PolarHBondContact O-N 2.98Å; L349-G353 PolarHBondContact O-N 3.17Å
350F92.1Very high92.2Very high92 Ų9245 Ų4540%0.40423%0.225SC..Hα-helixtrans-72.5-21.6177.3-79.3-102.1000112.6L346 G348 F352 G353 L354 V463L346-F350 HydrophobicContact CD2-CE2 4.21Å; L346-F350 WeakPolarHBondContact O-CB 3.33Å; L346-F350 VanDerWaalsContact O-CD2 3.24Å; L346-F350 WeakPolarHBondContact O-CD2 3.16Å; L346-F350 PolarHBondContact O-N 3.11Å; G348-F350 PolarHBondContact O-N 3.46Å; F350-F352 VanDerWaalsContact C-N 3.33Å; F350-F352 PolarHBondContact O-N 3.39Å; F350-G353 PolarHBondContact O-N 3.27Å; F350-L354 HydrophobicContact CB-CD1 4.43Å; F350-L354 VanDerWaalsContact O-CB 3.27Å; F350-L354 WeakPolarHBondContact O-CB 3.25Å; F350-L354 VanDerWaalsContact O-CG 3.28Å; F350-L354 WeakPolarHBondContact O-CG 3.38Å; F350-L354 PolarHBondContact O-N 3.1Å; F350-V463 HydrophobicContact CB-CG1 3.4Å; F350-V463 VanDerWaalsContact CB-CG1 3.4Å; F350-V463 HydrophobicContact CD1-CG1 3.44Å; F350-V463 VanDerWaalsContact CD1-CG1 3.44Å; F350-V463 HydrophobicContact CD2-CG1 3.24Å; F350-V463 HydrophobicContact CE1-CG1 3.91Å; F350-V463 HydrophobicContact CE2-CG1 3.72Å; F350-V463 HydrophobicContact CG-CG1 3.05Å; F350-V463 HydrophobicContact CZ-CG1 4.03Å
351S92.5Very high91.9Very high0 Ų050.1 Ų50.10%024%0.242CC..Hα-helixtrans-60.7-44.3172.9-165.30000110.7G190 D193 L347 G348 L349 T355 S466G190-S351 PolarHBondContact O-OG 3.1Å; D193-S351 PolarHBondContact OD2-OG 3.06Å; L347-S351 WeakPolarHBondContact O-CB 3.39Å; L347-S351 PolarHBondContact O-N 3.36Å; G348-S351 VanDerWaalsContact O-CB 3.27Å; G348-S351 WeakPolarHBondContact O-CB 3.26Å; G348-S351 PolarHBondContact O-N 3.14Å; G348-S351 VanDerWaalsContact O-N 3.08Å; L349-S351 VanDerWaalsContact C-N 3.28Å; L349-S351 PolarHBondContact O-N 2.94Å; S351-T355 WeakPolarHBondContact O-CB 3.35Å; S351-T355 PolarHBondContact O-N 3.39Å; S351-T355 PolarHBondContact O-OG1 3.34Å; S351-S466 WeakPolarHBondContact CA-OG 3.45Å; S351-S466 WeakPolarHBondContact CB-OG 3.24Å; S351-S466 PolarHBondContact N-OG 2.96Å
352F93.3Very high91.3Very high66 Ų6650.5 Ų50.529%0.28924%0.243SC..Hα-helixtrans-63.3-49.6174.9-64.1-75.2000112I191 V195 L198 G348 L349 F350 W356I191-F352 HydrophobicContact CB-CE1 4.33Å; I191-F352 HydrophobicContact CG1-CD1 4.31Å; I191-F352 HydrophobicContact CG1-CE1 4.35Å; I191-F352 HydrophobicContact CG2-CE1 4.15Å; V195-F352 HydrophobicContact CG2-CE1 4.14Å; V195-F352 HydrophobicContact CG2-CZ 3.68Å; L198-F352 HydrophobicContact CD1-CD2 4.46Å; L198-F352 HydrophobicContact CD1-CE2 3.59Å; L198-F352 HydrophobicContact CD1-CZ 4.38Å; L198-F352 HydrophobicContact CG-CE2 4.29Å; G348-F352 WeakPolarHBondContact O-CD2 3.5Å; G348-F352 WeakPolarHBondContact O-CE2 3.5Å; G348-F352 PolarHBondContact O-N 3.4Å; L349-F352 PolarHBondContact O-N 2.98Å; F350-F352 VanDerWaalsContact C-N 3.33Å; F350-F352 PolarHBondContact O-N 3.39Å; F352-W356 VanDerWaalsContact O-CB 3.26Å; F352-W356 WeakPolarHBondContact O-CB 3.42Å; F352-W356 PolarHBondContact O-N 3.03Å
353G91.7Very high90.8Very high37 Ų3753.4 Ų53.438%0.38125%0.253SS..Hα-helixtrans-60.6-49-178.800000112.5L349 F350 W356 V357L349-G353 PolarHBondContact O-N 3.17Å; F350-G353 PolarHBondContact O-N 3.27Å; G353-W356 WeakPolarHBondContact O-CB 3.2Å; G353-W356 PolarHBondContact O-N 3.21Å; G353-V357 VanDerWaalsContact O-CG2 3.28Å; G353-V357 WeakPolarHBondContact O-CG2 3.44Å; G353-V357 PolarHBondContact O-N 3.21Å
354L92.1Very high89.8Confident27 Ų2753.2 Ų53.214%0.14125%0.252CS..Hα-helixtrans-74.5-34.2-178.7-61.6177.6000112.3F350 W356 V357 T358 Y425F350-L354 HydrophobicContact CB-CD1 4.43Å; F350-L354 VanDerWaalsContact O-CB 3.27Å; F350-L354 WeakPolarHBondContact O-CB 3.25Å; F350-L354 VanDerWaalsContact O-CG 3.28Å; F350-L354 WeakPolarHBondContact O-CG 3.38Å; F350-L354 PolarHBondContact O-N 3.1Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 2.54Å; L354-V357 PolarHBondContact O-N 3.16Å; L354-T358 WeakPolarHBondContact O-CB 3.33Å; L354-T358 VanDerWaalsContact O-CG2 3.25Å; L354-T358 WeakPolarHBondContact O-CG2 3.34Å; L354-T358 PolarHBondContact O-N 2.94Å; L354-T358 PolarHBondContact O-OG1 3.31Å; L354-Y425 HydrophobicContact CB-CE2 4.03Å; L354-Y425 WeakPolarHBondContact CB-OH 3.14Å; L354-Y425 HydrophobicContact CD1-CE2 4.19Å; L354-Y425 WeakPolarHBondContact CD1-OH 3.27Å; L354-Y425 HydrophobicContact CD2-CE2 4.2Å; L354-Y425 HydrophobicContact CG-CE2 4.36Å
355T92.4Very high88.6Confident3 Ų356.7 Ų56.72%0.01827%0.273CS..Hα-helixtrans-61.3-43.1169.3-63.30000110.6G190 S351 T358 T359 A467G190-T355 WeakPolarHBondContact CA-OG1 3.43Å; S351-T355 WeakPolarHBondContact O-CB 3.35Å; S351-T355 PolarHBondContact O-N 3.39Å; S351-T355 PolarHBondContact O-OG1 3.34Å; T355-T358 WeakPolarHBondContact CA-OG1 3.43Å; T355-T358 PolarHBondContact O-OG1 3.29Å; T355-T359 WeakPolarHBondContact O-CB 3.44Å; T355-T359 PolarHBondContact O-N 3.33Å; T355-T359 PolarHBondContact O-OG1 3.45Å; T355-A467 WeakPolarHBondContact OG1-CB 3.21Å
356W91.8Very high87Confident156 Ų15661 Ų6159%0.59129%0.287SS*.Hα-helixtrans-63.2-45.6176.5178.6-73.5000111.9F352 G353 L354 T359 R360F352-W356 VanDerWaalsContact O-CB 3.26Å; F352-W356 WeakPolarHBondContact O-CB 3.42Å; F352-W356 PolarHBondContact O-N 3.03Å; G353-W356 WeakPolarHBondContact O-CB 3.2Å; G353-W356 PolarHBondContact O-N 3.21Å; L354-W356 VanDerWaalsContact C-N 3.32Å; L354-W356 PolarHBondContact O-N 2.54Å; W356-T359 PolarHBondContact O-N 3.33Å; W356-R360 VanDerWaalsContact CZ2-NH2 3.35Å; W356-R360 WeakPolarHBondContact O-CB 3.29Å; W356-R360 PolarHBondContact O-N 3.15Å
357V91.2Very high85.1Confident51 Ų5169 Ų6931%0.30932%0.315SS..Hα-helixtrans-60.9-49.8177.1169.60000110.8G353 L354 T359 R360 W361G353-V357 VanDerWaalsContact O-CG2 3.28Å; G353-V357 WeakPolarHBondContact O-CG2 3.44Å; G353-V357 PolarHBondContact O-N 3.21Å; L354-V357 PolarHBondContact O-N 3.16Å; V357-T359 PolarHBondContact O-N 3.3Å; V357-R360 PolarHBondContact O-N 2.92Å; V357-W361 HydrophobicContact CG1-CD2 3.85Å; V357-W361 VanDerWaalsContact CG1-CE2 3.43Å; V357-W361 HydrophobicContact CG1-CE3 4.36Å; V357-W361 HydrophobicContact CG1-CG 4.31Å; V357-W361 HydrophobicContact CG1-CH2 4.18Å; V357-W361 HydrophobicContact CG1-CZ2 3.63Å; V357-W361 WeakPolarHBondContact O-CB 3.5Å; V357-W361 VanDerWaalsContact O-CG 3.27Å; V357-W361 PolarHBondContact O-N 2.69Å
358T89.3Confident82.6Confident8 Ų879.2 Ų79.25%0.04935%0.353CS..Hα-helixtrans-63.1-40.6178.852.70000111.9L354 T355 R360 W361 M362 Y425 V471L354-T358 WeakPolarHBondContact O-CB 3.33Å; L354-T358 VanDerWaalsContact O-CG2 3.25Å; L354-T358 WeakPolarHBondContact O-CG2 3.34Å; L354-T358 PolarHBondContact O-N 2.94Å; L354-T358 PolarHBondContact O-OG1 3.31Å; T355-T358 WeakPolarHBondContact CA-OG1 3.43Å; T355-T358 PolarHBondContact O-OG1 3.29Å; T358-R360 PolarHBondContact O-N 2.66Å; T358-W361 PolarHBondContact O-N 2.88Å; T358-M362 WeakPolarHBondContact O-CB 3.42Å; T358-M362 PolarHBondContact O-N 3.11Å; T358-Y425 HydrophobicContact CG2-CD1 3.71Å; T358-Y425 HydrophobicContact CG2-CD2 3.7Å; T358-Y425 HydrophobicContact CG2-CE1 3.97Å; T358-Y425 HydrophobicContact CG2-CE2 3.94Å; T358-Y425 HydrophobicContact CG2-CG 3.56Å; T358-V471 HydrophobicContact CG2-CG2 4.31Å
359T89.1Confident80.2Confident22 Ų2290.3 Ų90.314%0.13540%0.395CS..Hα-helixtrans-60.4-44.3174-64.60000111.5R183 T355 W356 V357 M362R183-T359 VanDerWaalsContact CD-O 3.3Å; R183-T359 WeakPolarHBondContact CD-O 3.39Å; R183-T359 HydrophobicContact CG-CG2 3.39Å; R183-T359 PolarHBondContact NE-O 3.37Å; T355-T359 WeakPolarHBondContact O-CB 3.44Å; T355-T359 PolarHBondContact O-N 3.33Å; T355-T359 PolarHBondContact O-OG1 3.45Å; W356-T359 PolarHBondContact O-N 3.33Å; V357-T359 PolarHBondContact O-N 3.3Å; T359-M362 PolarHBondContact O-N 2.65Å
360R88.5Confident77.3Confident164 Ų16494.5 Ų94.562%0.61941%0.414SS*.Hα-helixtrans-67.9-40.4175.4-80-168.2169.5-178.4-2.9112.3W356 V357 T358 M362 K363W356-R360 VanDerWaalsContact CZ2-NH2 3.35Å; W356-R360 WeakPolarHBondContact O-CB 3.29Å; W356-R360 PolarHBondContact O-N 3.15Å; V357-R360 PolarHBondContact O-N 2.92Å; T358-R360 PolarHBondContact O-N 2.66Å; R360-M362 PolarHBondContact O-N 3.12Å; R360-K363 WeakPolarHBondContact O-CB 3.3Å; R360-K363 PolarHBondContact O-N 3.3Å
361W85.9Confident74.6Confident128 Ų12894.5 Ų94.549%0.48543%0.425SS..Hα-helixtrans-65.3-23.7175.4-71.64.9000112.3V357 T358 K363 R421V357-W361 HydrophobicContact CG1-CD2 3.85Å; V357-W361 VanDerWaalsContact CG1-CE2 3.43Å; V357-W361 HydrophobicContact CG1-CE3 4.36Å; V357-W361 HydrophobicContact CG1-CG 4.31Å; V357-W361 HydrophobicContact CG1-CH2 4.18Å; V357-W361 HydrophobicContact CG1-CZ2 3.63Å; V357-W361 WeakPolarHBondContact O-CB 3.5Å; V357-W361 VanDerWaalsContact O-CG 3.27Å; V357-W361 PolarHBondContact O-N 2.69Å; T358-W361 PolarHBondContact O-N 2.88Å; W361-K363 PolarHBondContact O-N 3.41Å; W361-R421 PolarHBondContact O-NE 3.38Å; W361-R421 VanDerWaalsContact O-NE 3.15Å; W361-R421 PolarHBondContact O-NH1 3.39Å; W361-R421 PolarHBondContact O-NH2 3.14Å
362M81.1Confident71.8Confident8 Ų8103.3 Ų103.34%0.03947%0.467CS..THydrogen-bonded Turntrans-78.91172.7-157178.4-175.800113.1E182 R183 T358 T359 R360 V364 A418E182-M362 HydrophobicContact CB-CE 3.68Å; E182-M362 WeakPolarHBondContact OE2-CE 3.5Å; R183-M362 HydrophobicContact CB-SD 4.1Å; R183-M362 PolarHBondContact NH2-O 2.93Å; T358-M362 WeakPolarHBondContact O-CB 3.42Å; T358-M362 PolarHBondContact O-N 3.11Å; T359-M362 PolarHBondContact O-N 2.65Å; R360-M362 PolarHBondContact O-N 3.12Å; M362-V364 PolarHBondContact O-N 3.28Å; M362-A418 HydrophobicContact CG-CB 4.22Å
363K81.2Confident69.1Low131 Ų131104.3 Ų104.357%0.5749%0.487SS*.  trans-62.1110178.6-161.5172.4-179.9-175.10111.5R183 R360 W361R183-K363 VanDerWaalsContact CZ-CA 3.47Å; R183-K363 VanDerWaalsContact NH2-CA 3.28Å; R360-K363 WeakPolarHBondContact O-CB 3.3Å; R360-K363 PolarHBondContact O-N 3.3Å; W361-K363 PolarHBondContact O-N 3.41Å
364V73.2Confident66.2Low17 Ų17107.2 Ų107.210%0.10350%0.501CS..  trans-83.6121.4163.8-1800000106.2A179 M362 E414 V415 A418A179-V364 HydrophobicContact CB-CG2 4.27Å; M362-V364 PolarHBondContact O-N 3.28Å; V364-E414 HydrophobicContact CG1-CB 3.98Å; V364-E414 WeakPolarHBondContact CG1-OE2 3.4Å; V364-V415 HydrophobicContact CG2-CG2 4.28Å; V364-A418 HydrophobicContact CG2-CB 4.38Å
365V67.3Low63.2Low92 Ų92114.7 Ų114.756%0.55854%0.536SS*.  trans-91.3110.2-177.8176.80000106.5R367 E414V365-R367 PolarHBondContact O-N 3.13Å; V365-E414 PolarHBondContact N-OE2 2.99Å
366K59Low60.3Low143 Ų143119.6 Ų119.662%0.62257%0.567SS**  trans-61.4102.6170.6-171.1175.4-173.7176.50107.7R368K366-R368 PolarHBondContact O-N 3.4Å
367R55.3Low57.4Low195 Ų195119.7 Ų119.774%0.73658%0.579SS**  trans-65.4103.8169.4-146.3178.8-67.1-152.62.3105.3V365 R369 E414V365-R367 PolarHBondContact O-N 3.13Å; R367-R369 PolarHBondContact O-N 3.03Å; R367-E414 IonicContact NH2-OE1 3.98Å
368R41.5Very low54.6Low225 Ų225125 Ų12585%0.84960%0.604SS**  trans-54.7139.7171.3-75.1-174.4-174.1-176.11.2106.5K366 M370K366-R368 PolarHBondContact O-N 3.4Å; R368-M370 PolarHBondContact O-N 3.43Å
369R42.7Very low51.7Low233 Ų233129.2 Ų129.288%0.87963%0.63SS**  trans-49.8104.2170.5-70.6-174-125.5152.7-1.6107.4R367 S371R367-R369 PolarHBondContact O-N 3.03Å; R369-S371 PolarHBondContact O-N 3.06Å
370M32.1Very low48.9Very low187 Ų187135.1 Ų135.192%0.92166%0.661SS**  trans-77.270.7154.9-79.5176.488.200105.4R368R368-M370 PolarHBondContact O-N 3.43Å
371S36.6Very low46.2Very low91 Ų91136.5 Ų136.564%0.63668%0.675SS**  trans-148.540.2168.2-162.30000108.3R369R369-S371 PolarHBondContact O-N 3.06Å
372E33.8Very low43.4Very low186 Ų186135.5 Ų135.587%0.86969%0.687SS**SBendtrans-100.24.3148.7-103.8167.7-172.200109.9
373A34.9Very low40.8Very low86 Ų86142.3 Ų142.371%0.71173%0.729SS**SBendtrans-103.154.8172.900000110.4
374S32.2Very low38.2Very low98 Ų98140.7 Ų140.769%0.68573%0.734SS**  trans-161.555.9161.4-60.70000108P376S374-P376 VanDerWaalsContact C-CD 3.42Å; S374-P376 WeakPolarHBondContact O-CD 2.85Å
375E29.4Very low35.9Very low185 Ų185144.8 Ų144.886%0.86476%0.763SS**  trans-80.2103.7149.5-79.1-176.7156.900106.9
376P31.2Very low33.7Very low105 Ų105151.1 Ų151.168%0.68278%0.779SS**  trans-82.6116.214331.2-24.2000106.9S374 L378S374-P376 VanDerWaalsContact C-CD 3.42Å; S374-P376 WeakPolarHBondContact O-CD 2.85Å; P376-L378 PolarHBondContact O-N 2.91Å
377L30.1Very low32Very low158 Ų158152 Ų15283%0.82779%0.79SS**  trans-38.4102.6158.2-77141.8000110.6
378L33.4Very low30.7Very low162 Ų162148.3 Ų148.385%0.84879%0.794SS**  trans-127.880.1156-108155.2000107.5P376P376-L378 PolarHBondContact O-N 2.91Å
379T27.3Very low29.8Very low97 Ų97145.4 Ų145.460%0.59579%0.794SS**  trans-43.2142.6155.447.10000111.3
380N30.5Very low28.9Very low146 Ų146141.8 Ų141.878%0.78179%0.787SS**  trans91.991.1165.6-50.6-20.5000115.1
381Q30.7Very low28.6Very low194 Ų194140.7 Ų140.791%0.90778%0.779SS**  -164.5138.9105.9-100.2164.14.700111.4
382S28.3Very low28.2Very low106 Ų106142 Ų14274%0.74178%0.784SS**  trans-61.9141.2-169.342.60000114.6S384S382-S384 PolarHBondContact O-N 2.96Å
383V25.6Very low27.7Very low151 Ų151140.6 Ų140.692%0.91578%0.782SS**  trans-43.4112.9155.1177.90000110.7
384S27.5Very low27.4Very low98 Ų98141.2 Ų141.269%0.68578%0.781SS**  trans-145.9108.5155.768.90000111.1S382S382-S384 PolarHBondContact O-N 2.96Å
385S24.4Very low27.2Very low103 Ų103143.9 Ų143.972%0.7279%0.786SS**  trans48105.3143.2580000119.1N387S385-N387 PolarHBondContact O-N 3.12Å
386Y22.2Very low27Very low225 Ų225141.1 Ų141.188%0.88278%0.777SS**  trans-27.7120.5138.2-82-101.5000112.3
387N22.6Very low26.9Very low160 Ų160144.8 Ų144.886%0.85678%0.779SS**  trans176.4105145.8-89.8-16.8000110.1S385S385-N387 PolarHBondContact O-N 3.12Å
388S27Very low26.7Very low118 Ų118143.1 Ų143.183%0.82577%0.771SS**  trans-178.1101.8134.357.20000109.5
389I22.7Very low26.7Very low165 Ų165140.5 Ų140.585%0.84676%0.758SS**  trans-64.5118.1153.4-66.4159.8000106.4
390H25.2Very low26.9Very low157 Ų157142.5 Ų142.573%0.72776%0.764SS**  trans176.8102.5150.2-96.8-74.4000104.9
391E24.8Very low27.1Very low163 Ų163140.1 Ų140.176%0.76276%0.76SS**  96.8143.782-164.6172.1-154.400110.3
392V27.7Very low27.5Very low120 Ų120137.6 Ų137.673%0.72775%0.752SS**  trans92.381.9173.4-160.30000116.6S394V392-S394 PolarHBondContact O-N 2.9Å
393D24.5Very low28.1Very low155 Ų155138.7 Ų138.783%0.82975%0.748SS**  29.489.9113.7-68.9-27.9000117.3
394S28.6Very low29.2Very low100 Ų100134.3 Ų134.370%0.69972%0.724SS**  -175.882.4125.641.70000108V392 D396V392-S394 PolarHBondContact O-N 2.9Å; S394-D396 PolarHBondContact O-N 3.18Å
395I28.2Very low30.8Very low154 Ų154131.4 Ų131.479%0.7970%0.704SS**  trans-71.183.2154.4-59.9173000104.5Y397I395-Y397 HydrophobicContact CG2-CD2 4.15Å; I395-Y397 PolarHBondContact O-N 3.34Å
396D24.9Very low32.7Very low126 Ų126130.2 Ų130.267%0.67469%0.694SS**  trans-53.6100157.7-92.6-20.1000105.8S394 N398S394-D396 PolarHBondContact O-N 3.18Å; D396-N398 PolarHBondContact O-N 3.44Å
397Y28Very low35Very low182 Ų182122.6 Ų122.671%0.71467%0.674SS**  trans-67.260.1165.7-119.6-82.1000107.8I395 N399I395-Y397 HydrophobicContact CG2-CD2 4.15Å; I395-Y397 PolarHBondContact O-N 3.34Å; Y397-N399 HydrophobicContact CD1-CB 4.24Å; Y397-N399 VanDerWaalsContact CD1-CG 3.48Å; Y397-N399 WeakPolarHBondContact CD1-ND2 3.41Å; Y397-N399 PolarHBondContact O-N 2.8Å
398N25.9Very low37.3Very low123 Ų123117.3 Ų117.366%0.65865%0.645SS**  trans-72.474.8162.2-94.5-24.1000107.2D396 N400D396-N398 PolarHBondContact O-N 3.44Å; N398-N400 PolarHBondContact O-N 3Å
399N33Very low39.5Very low108 Ų108112.7 Ų112.758%0.57861%0.611SS**THydrogen-bonded Turntrans-67.221.1-178.2-122-3000113.7Y397 I403Y397-N399 HydrophobicContact CD1-CB 4.24Å; Y397-N399 VanDerWaalsContact CD1-CG 3.48Å; Y397-N399 WeakPolarHBondContact CD1-ND2 3.41Å; Y397-N399 PolarHBondContact O-N 2.8Å; N399-I403 VanDerWaalsContact O-CD1 3.22Å; N399-I403 WeakPolarHBondContact O-CD1 3.45Å
400N31.5Very low42.2Very low138 Ų138107.8 Ų107.874%0.73859%0.586SS**THydrogen-bonded Turntrans-111.6-7.7-174.7-76.5-9.8000115N398N398-N400 PolarHBondContact O-N 3Å
401S36.4Very low44.6Very low97 Ų97101.9 Ų101.968%0.67856%0.56SS**SBendtrans-96.5-12.5-175.454.40000116.2
402N39.3Very low47.1Very low140 Ų14097.1 Ų97.175%0.74954%0.537SS*.SBendtrans-101.7-3.3177.6-76.7-14.5000114.7S404N402-S404 PolarHBondContact O-N 3.36Å
403I40.8Very low49.7Very low129 Ų12991.5 Ų91.566%0.66250%0.503SS*.THydrogen-bonded Turntrans-70-16.4-172-67.9175000112.8N399N399-I403 VanDerWaalsContact O-CD1 3.22Å; N399-I403 WeakPolarHBondContact O-CD1 3.45Å
404S48.9Very low52.4Low59 Ų5985.9 Ų85.941%0.41347%0.472SS..THydrogen-bonded Turntrans-140.354.3-178.760.70000113.3N402N402-S404 PolarHBondContact O-N 3.36Å
405S59.7Low55Low37 Ų3781.8 Ų81.826%0.25944%0.443SS..  trans-56.9130.6164.458.50000109.3S407 N408 L409S405-S407 PolarHBondContact O-N 3.42Å; S405-S407 PolarHBondContact OG-OG 3.11Å; S405-N408 PolarHBondContact O-N 2.85Å; S405-N408 WeakPolarHBondContact OG-CB 3.41Å; S405-N408 PolarHBondContact OG-ND2 3.34Å; S405-L409 PolarHBondContact O-N 3.33Å
406P65.2Low57.5Low78 Ų7875.3 Ų75.351%0.50641%0.41SS..Hα-helixtrans-57-29.2-175.118.3-30.6000112.4L409 I410P406-L409 PolarHBondContact O-N 2.85Å; P406-I410 WeakPolarHBondContact O-CD1 3.33Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.48Å; P406-I410 PolarHBondContact O-N 3.22Å
407S69.3Low60.4Low66 Ų6674.9 Ų74.946%0.46240%0.399SS..Hα-helixtrans-60.3-45.1172.754.50000113.2S405 L409 I410 I411S405-S407 PolarHBondContact O-N 3.42Å; S405-S407 PolarHBondContact OG-OG 3.11Å; S407-L409 VanDerWaalsContact C-N 3.31Å; S407-L409 PolarHBondContact O-N 3.1Å; S407-I410 PolarHBondContact O-N 3.08Å; S407-I411 WeakPolarHBondContact O-CG1 3.12Å; S407-I411 PolarHBondContact O-N 3.45Å; S407-I411 VanDerWaalsContact O-N 3.09Å
408N71.1Confident63.2Low48 Ų4866.4 Ų66.426%0.25737%0.366SS..Hα-helixtrans-66-35.1179.6-86.5-27.2000112.1S405 Q412S405-N408 PolarHBondContact O-N 2.85Å; S405-N408 WeakPolarHBondContact OG-CB 3.41Å; S405-N408 PolarHBondContact OG-ND2 3.34Å; N408-Q412 WeakPolarHBondContact O-CG 3.41Å; N408-Q412 PolarHBondContact O-N 3Å; N408-Q412 VanDerWaalsContact O-N 3.1Å
409L73.9Confident66Low21 Ų2162.7 Ų62.711%0.1134%0.343CS..Hα-helixtrans-73.8-37.3178.8-158.8141.1000111.8S405 P406 S407 Q412 N413 Q555 I558S405-L409 PolarHBondContact O-N 3.33Å; P406-L409 PolarHBondContact O-N 2.85Å; S407-L409 VanDerWaalsContact C-N 3.31Å; S407-L409 PolarHBondContact O-N 3.1Å; L409-Q412 WeakPolarHBondContact O-CB 3.31Å; L409-Q412 PolarHBondContact O-N 3.35Å; L409-N413 PolarHBondContact O-N 2.89Å; L409-Q555 HydrophobicContact CD2-CB 3.36Å; L409-Q555 HydrophobicContact CD2-CG 3.57Å; L409-I558 HydrophobicContact CD1-CD1 3.98Å
410I78.4Confident68.6Low62 Ų6260.7 Ų60.732%0.31833%0.327SS..Hα-helixtrans-59.7-47.4171.4-68.1162.8000111.1P406 S407 Q412 N413 E414 Q555P406-I410 WeakPolarHBondContact O-CD1 3.33Å; P406-I410 VanDerWaalsContact O-CG1 3.24Å; P406-I410 WeakPolarHBondContact O-CG1 3.48Å; P406-I410 PolarHBondContact O-N 3.22Å; S407-I410 PolarHBondContact O-N 3.08Å; I410-Q412 VanDerWaalsContact C-N 3.3Å; I410-Q412 PolarHBondContact O-N 2.89Å; I410-N413 PolarHBondContact O-N 3.36Å; I410-E414 PolarHBondContact O-N 2.95Å; I410-Q555 VanDerWaalsContact CG1-NE2 3.34Å
411I77.4Confident71.3Confident34 Ų3458.7 Ų58.717%0.17431%0.309CS..Hα-helixtrans-61.1-41.5179-66.9166.5000110.6K175 C176 S407 E414 V415K175-I411 HydrophobicContact CB-CG2 4.24Å; C176-I411 HydrophobicContact CB-CG2 4.4Å; S407-I411 WeakPolarHBondContact O-CG1 3.12Å; S407-I411 PolarHBondContact O-N 3.45Å; S407-I411 VanDerWaalsContact O-N 3.09Å; I411-E414 PolarHBondContact O-N 3.39Å; I411-V415 WeakPolarHBondContact O-CG2 3.41Å; I411-V415 PolarHBondContact O-N 3.37Å
412Q77.3Confident73.9Confident62 Ų6254.6 Ų54.629%0.2928%0.28SS..Hα-helixtrans-60.6-45.5176-73.9173.240.700112.2K175 N408 L409 I410 E414 V415 L416K175-Q412 HydrophobicContact CD-CG 3.78Å; N408-Q412 WeakPolarHBondContact O-CG 3.41Å; N408-Q412 PolarHBondContact O-N 3Å; N408-Q412 VanDerWaalsContact O-N 3.1Å; L409-Q412 WeakPolarHBondContact O-CB 3.31Å; L409-Q412 PolarHBondContact O-N 3.35Å; I410-Q412 VanDerWaalsContact C-N 3.3Å; I410-Q412 PolarHBondContact O-N 2.89Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 3.36Å; Q412-V415 PolarHBondContact O-N 3.45Å; Q412-L416 WeakPolarHBondContact O-CG 3.43Å; Q412-L416 PolarHBondContact O-N 3.49Å
413N81.2Confident76.4Confident3 Ų348.1 Ų48.12%0.01625%0.245CC..Hα-helixtrans-61.5-39.1177.9-77.3-15.1000111.9L409 I410 R417 T551 D552 Q555L409-N413 PolarHBondContact O-N 2.89Å; I410-N413 PolarHBondContact O-N 3.36Å; N413-R417 WeakPolarHBondContact O-CB 3.48Å; N413-R417 WeakPolarHBondContact O-CG 3.36Å; N413-R417 PolarHBondContact O-N 3.18Å; N413-T551 WeakPolarHBondContact OD1-CB 3.35Å; N413-T551 PolarHBondContact OD1-OG1 3.25Å; N413-D552 PolarHBondContact ND2-OD1 3.14Å; N413-Q555 PolarHBondContact ND2-OE1 2.82Å
414E82.4Confident78.8Confident36 Ų3647.3 Ų47.317%0.16824%0.237CC..Hα-helixtrans-66.7-40.4175.3-68.7-165.1178.700113.1V364 V365 R367 I410 I411 Q412 R417 A418V364-E414 HydrophobicContact CG1-CB 3.98Å; V364-E414 WeakPolarHBondContact CG1-OE2 3.4Å; V365-E414 PolarHBondContact N-OE2 2.99Å; R367-E414 IonicContact NH2-OE1 3.98Å; I410-E414 PolarHBondContact O-N 2.95Å; I411-E414 PolarHBondContact O-N 3.39Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 3.36Å; E414-R417 PolarHBondContact O-N 3.4Å; E414-A418 PolarHBondContact O-N 3.26Å
415V82.1Confident80.8Confident15 Ų1545.4 Ų45.49%0.09122%0.221CC..Hα-helixtrans-64.3-45176.1172.70000111A179 V364 I411 Q412 R417 A418 R419A179-V415 HydrophobicContact CB-CG2 4.15Å; V364-V415 HydrophobicContact CG2-CG2 4.28Å; I411-V415 WeakPolarHBondContact O-CG2 3.41Å; I411-V415 PolarHBondContact O-N 3.37Å; Q412-V415 PolarHBondContact O-N 3.45Å; V415-R417 VanDerWaalsContact C-N 3.34Å; V415-R417 PolarHBondContact O-N 2.66Å; V415-A418 WeakPolarHBondContact O-CB 3.45Å; V415-A418 PolarHBondContact O-N 3.08Å; V415-R419 WeakPolarHBondContact O-CG 2.81Å; V415-R419 PolarHBondContact O-N 3.05Å
416L81.9Confident82.5Confident17 Ų1743.9 Ų43.99%0.08921%0.21CC..Hα-helixtrans-62.9-39.5176.6-70.5173000111.9Q412 R419 R420 I548 T551Q412-L416 WeakPolarHBondContact O-CG 3.43Å; Q412-L416 PolarHBondContact O-N 3.49Å; L416-R419 PolarHBondContact O-N 3.25Å; L416-R420 WeakPolarHBondContact O-CB 3.25Å; L416-R420 PolarHBondContact O-N 3.27Å; L416-I548 HydrophobicContact CB-CD1 4.07Å; L416-I548 HydrophobicContact CB-CG1 3.64Å; L416-I548 HydrophobicContact CD1-CG1 4.16Å; L416-I548 HydrophobicContact CG-CG1 4.47Å; L416-T551 HydrophobicContact CD1-CG2 4.16Å
417R85.4Confident83.9Confident118 Ų11841.2 Ų41.245%0.44519%0.191SC..Hα-helixtrans-65-38.3174.3-72.5172.2-167.8167.46.3112.1N413 E414 V415 R420 R421 D552N413-R417 WeakPolarHBondContact O-CB 3.48Å; N413-R417 WeakPolarHBondContact O-CG 3.36Å; N413-R417 PolarHBondContact O-N 3.18Å; E414-R417 PolarHBondContact O-N 3.4Å; V415-R417 VanDerWaalsContact C-N 3.34Å; V415-R417 PolarHBondContact O-N 2.66Å; R417-R420 PolarHBondContact O-N 3.11Å; R417-R421 WeakPolarHBondContact O-CG 3.36Å; R417-R421 PolarHBondContact O-N 3.05Å; R417-R421 VanDerWaalsContact O-N 3.14Å; R417-D552 IonicContact NH2-OD1 2.92Å; R417-D552 PolarHBondContact NH2-OD1 2.85Å; R417-D552 VanDerWaalsContact NH2-OD1 3.09Å; R417-D552 IonicContact NH2-OD2 2.88Å
418A85.6Confident85.1Confident4 Ų441.4 Ų41.43%0.03319%0.191CC..Hα-helixtrans-62.5-46.817300000111.6M362 V364 E414 V415 R420 R421 M422M362-A418 HydrophobicContact CG-CB 4.22Å; V364-A418 HydrophobicContact CG2-CB 4.38Å; E414-A418 PolarHBondContact O-N 3.26Å; V415-A418 WeakPolarHBondContact O-CB 3.45Å; V415-A418 PolarHBondContact O-N 3.08Å; A418-R420 PolarHBondContact O-N 2.9Å; A418-R421 WeakPolarHBondContact O-CB 3.32Å; A418-R421 PolarHBondContact O-N 3.1Å; A418-M422 PolarHBondContact O-N 3.43Å; A418-M422 VanDerWaalsContact O-N 3.15Å
419R85.2Confident86.3Confident44 Ų4439.1 Ų39.117%0.16618%0.18CC..Hα-helixtrans-59.5-41175.1-75177.6-179-172.7-2.9112.8E182 V415 L416 R421 M422 I423 F475 S478E182-R419 IonicContact OE1-NH2 3.71Å; V415-R419 WeakPolarHBondContact O-CG 2.81Å; V415-R419 PolarHBondContact O-N 3.05Å; L416-R419 PolarHBondContact O-N 3.25Å; R419-R421 PolarHBondContact O-N 3.46Å; R419-M422 VanDerWaalsContact O-CB 3.25Å; R419-M422 WeakPolarHBondContact O-CB 3.48Å; R419-M422 PolarHBondContact O-N 2.92Å; R419-I423 PolarHBondContact O-N 3.12Å; R419-F475 HydrophobicContact CB-CE2 4.03Å; R419-F475 HydrophobicContact CG-CE2 4.31Å; R419-S478 PolarHBondContact NH2-O 3.02Å
420R87.6Confident87.3Confident66 Ų6638.1 Ų38.125%0.24917%0.174CC..Hα-helixtrans-65.2-36.5176.2-173.5173.8174.2-148.7-4.7112.9L416 R417 A418 M422 I423 K424 T544 I548L416-R420 WeakPolarHBondContact O-CB 3.25Å; L416-R420 PolarHBondContact O-N 3.27Å; R417-R420 PolarHBondContact O-N 3.11Å; A418-R420 PolarHBondContact O-N 2.9Å; R420-M422 VanDerWaalsContact C-N 3.3Å; R420-I423 PolarHBondContact O-N 3.11Å; R420-K424 WeakPolarHBondContact O-CG 3.43Å; R420-K424 PolarHBondContact O-N 3.35Å; R420-K424 VanDerWaalsContact O-N 3.09Å; R420-T544 HydrophobicContact CB-CG2 4.42Å; R420-I548 HydrophobicContact CB-CD1 4.14Å
421R89.3Confident88.2Confident96 Ų9638.9 Ų38.936%0.36218%0.179SC..Hα-helixtrans-63.3-39.2173.8-74.1-177.2-77.1-1770.6111.5W361 R417 A418 R419 K424 Y425W361-R421 PolarHBondContact O-NE 3.38Å; W361-R421 VanDerWaalsContact O-NE 3.15Å; W361-R421 PolarHBondContact O-NH1 3.39Å; W361-R421 PolarHBondContact O-NH2 3.14Å; R417-R421 WeakPolarHBondContact O-CG 3.36Å; R417-R421 PolarHBondContact O-N 3.05Å; R417-R421 VanDerWaalsContact O-N 3.14Å; A418-R421 WeakPolarHBondContact O-CB 3.32Å; A418-R421 PolarHBondContact O-N 3.1Å; R419-R421 PolarHBondContact O-N 3.46Å; R421-K424 PolarHBondContact O-N 3.06Å; R421-Y425 PolarHBondContact O-N 3.49Å
422M89.3Confident89.1Confident11 Ų1137.6 Ų37.65%0.05417%0.173CC..Hα-helixtrans-61.5-48.2175-166.1178.1-177.700112.3L186 A418 R419 R420 K424 Y425 V426 V471 F475L186-M422 HydrophobicContact CD2-CE 4.42Å; A418-M422 PolarHBondContact O-N 3.43Å; A418-M422 VanDerWaalsContact O-N 3.15Å; R419-M422 VanDerWaalsContact O-CB 3.25Å; R419-M422 WeakPolarHBondContact O-CB 3.48Å; R419-M422 PolarHBondContact O-N 2.92Å; R420-M422 VanDerWaalsContact C-N 3.3Å; M422-K424 VanDerWaalsContact C-N 3.33Å; M422-K424 PolarHBondContact O-N 2.91Å; M422-Y425 WeakPolarHBondContact O-CB 3.49Å; M422-Y425 PolarHBondContact O-N 2.9Å; M422-V426 WeakPolarHBondContact O-CG2 3.35Å; M422-V426 PolarHBondContact O-N 3.03Å; M422-V426 VanDerWaalsContact O-N 3.16Å; M422-V471 HydrophobicContact CE-CB 4.06Å; M422-V471 HydrophobicContact CE-CG1 3.41Å; M422-V471 VanDerWaalsContact CE-CG1 3.41Å; M422-V471 WeakPolarHBondContact CE-O 3.45Å; M422-V471 HydrophobicContact CG-CG1 3.39Å; M422-V471 HydrophobicContact SD-CG1 4.31Å; M422-F475 HydrophobicContact CE-CB 3.74Å; M422-F475 HydrophobicContact SD-CB 3.91Å; M422-F475 HydrophobicContact SD-CD2 3.97Å; M422-F475 HydrophobicContact SD-CG 4.46Å
423I91.5Very high90Very high5 Ų534.6 Ų34.63%0.02616%0.159CC..Hα-helixtrans-61.3-40.6176.8-65.5161.9000111.5R419 R420 Y425 V426 I427 F475 I540R419-I423 PolarHBondContact O-N 3.12Å; R420-I423 PolarHBondContact O-N 3.11Å; I423-Y425 VanDerWaalsContact C-N 3.3Å; I423-Y425 PolarHBondContact O-N 3Å; I423-V426 PolarHBondContact O-N 3.34Å; I423-I427 HydrophobicContact CG2-CD1 3.85Å; I423-I427 HydrophobicContact CG2-CG1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.21Å; I423-I427 PolarHBondContact O-N 3.18Å; I423-F475 HydrophobicContact CD1-CE2 3.67Å; I423-F475 HydrophobicContact CD1-CZ 3.76Å; I423-F475 HydrophobicContact CG1-CD2 4.27Å; I423-F475 HydrophobicContact CG1-CE2 3.78Å; I423-F475 HydrophobicContact CG1-CZ 4.13Å; I423-I540 HydrophobicContact CD1-CG2 4.02Å
424K91.6Very high90.7Very high111 Ų11135.2 Ų35.248%0.48316%0.162SC..Hα-helixtrans-59.6-40176.7-74.8178.2-180-1740112.6R420 R421 M422 I427 C428R420-K424 WeakPolarHBondContact O-CG 3.43Å; R420-K424 PolarHBondContact O-N 3.35Å; R420-K424 VanDerWaalsContact O-N 3.09Å; R421-K424 PolarHBondContact O-N 3.06Å; M422-K424 VanDerWaalsContact C-N 3.33Å; M422-K424 PolarHBondContact O-N 2.91Å; K424-I427 PolarHBondContact O-N 3.11Å; K424-C428 PolarHBondContact O-N 3.31Å; K424-C428 VanDerWaalsContact O-N 3.08Å
425Y92.5Very high91.4Very high20 Ų2037 Ų378%0.07817%0.172CC..Hα-helixtrans-60.8-48.8174.2171-94.8000111.3L354 T358 R421 M422 I423 I427 C428 G429 S466 V468 V471L354-Y425 HydrophobicContact CB-CE2 4.03Å; L354-Y425 WeakPolarHBondContact CB-OH 3.14Å; L354-Y425 HydrophobicContact CD1-CE2 4.19Å; L354-Y425 WeakPolarHBondContact CD1-OH 3.27Å; L354-Y425 HydrophobicContact CD2-CE2 4.2Å; L354-Y425 HydrophobicContact CG-CE2 4.36Å; T358-Y425 HydrophobicContact CG2-CD1 3.71Å; T358-Y425 HydrophobicContact CG2-CD2 3.7Å; T358-Y425 HydrophobicContact CG2-CE1 3.97Å; T358-Y425 HydrophobicContact CG2-CE2 3.94Å; T358-Y425 HydrophobicContact CG2-CG 3.56Å; R421-Y425 PolarHBondContact O-N 3.49Å; M422-Y425 WeakPolarHBondContact O-CB 3.49Å; M422-Y425 PolarHBondContact O-N 2.9Å; I423-Y425 VanDerWaalsContact C-N 3.3Å; I423-Y425 PolarHBondContact O-N 3Å; Y425-I427 VanDerWaalsContact C-N 3.29Å; Y425-I427 PolarHBondContact O-N 2.57Å; Y425-C428 WeakPolarHBondContact O-CB 3.4Å; Y425-C428 PolarHBondContact O-N 2.82Å; Y425-C428 VanDerWaalsContact O-N 3.11Å; Y425-G429 PolarHBondContact O-N 2.92Å; Y425-S466 PolarHBondContact OH-O 3.29Å; Y425-V468 HydrophobicContact CE1-CG2 4.44Å; Y425-V471 HydrophobicContact CD1-CB 4.5Å; Y425-V471 HydrophobicContact CD1-CG1 4.22Å; Y425-V471 HydrophobicContact CD1-CG2 4.06Å; Y425-V471 HydrophobicContact CE1-CG2 3.94Å
426V94.2Very high92.1Very high4 Ų436.3 Ų36.32%0.02417%0.168CC..Hα-helixtrans-59.3-41.1177.6-178.30000111M422 I423 C428 G429 M430 V468 V471 L472 L537M422-V426 WeakPolarHBondContact O-CG2 3.35Å; M422-V426 PolarHBondContact O-N 3.03Å; M422-V426 VanDerWaalsContact O-N 3.16Å; I423-V426 PolarHBondContact O-N 3.34Å; V426-C428 VanDerWaalsContact C-N 3.35Å; V426-C428 PolarHBondContact O-N 3.45Å; V426-G429 PolarHBondContact O-N 2.86Å; V426-M430 HydrophobicContact CG1-CG 4.24Å; V426-M430 WeakPolarHBondContact O-CB 3.4Å; V426-M430 VanDerWaalsContact O-CG 3.31Å; V426-M430 WeakPolarHBondContact O-CG 3.34Å; V426-M430 PolarHBondContact O-N 3.45Å; V426-V468 HydrophobicContact CG1-CG1 4.16Å; V426-V471 HydrophobicContact CG2-CB 4.19Å; V426-V471 HydrophobicContact CG2-CG1 3.35Å; V426-L472 HydrophobicContact CG1-CD1 4.32Å; V426-L472 HydrophobicContact CG1-CD2 3.92Å; V426-L472 HydrophobicContact CG1-CG 4.05Å; V426-L472 HydrophobicContact CG2-CG 4.43Å; V426-L537 HydrophobicContact CB-CD1 4.41Å; V426-L537 HydrophobicContact CG1-CD1 3.5Å; V426-L537 HydrophobicContact CG1-CD2 3.92Å; V426-L537 HydrophobicContact CG1-CG 4.37Å
427I95.2Very high92.8Very high23 Ų2335.5 Ų35.512%0.11816%0.164CC..Hα-helixtrans-58.5-45.8175.5-71.5165.6000111.4I423 K424 Y425 M430 L431 F534 L537 L538I423-I427 HydrophobicContact CG2-CD1 3.85Å; I423-I427 HydrophobicContact CG2-CG1 4.33Å; I423-I427 WeakPolarHBondContact O-CG1 3.21Å; I423-I427 PolarHBondContact O-N 3.18Å; K424-I427 PolarHBondContact O-N 3.11Å; Y425-I427 VanDerWaalsContact C-N 3.29Å; Y425-I427 PolarHBondContact O-N 2.57Å; I427-M430 PolarHBondContact O-N 3.22Å; I427-L431 WeakPolarHBondContact O-CB 3.4Å; I427-L431 PolarHBondContact O-N 3.38Å; I427-F534 HydrophobicContact CG2-CD2 4.17Å; I427-F534 HydrophobicContact CG2-CE2 3.58Å; I427-F534 HydrophobicContact CG2-CZ 4.47Å; I427-L537 HydrophobicContact CD1-CB 4.48Å; I427-L537 HydrophobicContact CG1-CB 3.73Å; I427-L537 HydrophobicContact CG1-CD1 4.49Å; I427-L538 HydrophobicContact CD1-CD2 4.17Å; I427-L538 HydrophobicContact CG2-CD2 4.08Å
428C94.4Very high93.3Very high69 Ų6933.1 Ų33.147%0.46616%0.16SC..Hα-helixtrans-62.9-44.6176.8-178.90000111.3K424 Y425 V426 M430 L431 A432K424-C428 PolarHBondContact O-N 3.31Å; K424-C428 VanDerWaalsContact O-N 3.08Å; Y425-C428 WeakPolarHBondContact O-CB 3.4Å; Y425-C428 PolarHBondContact O-N 2.82Å; Y425-C428 VanDerWaalsContact O-N 3.11Å; V426-C428 VanDerWaalsContact C-N 3.35Å; V426-C428 PolarHBondContact O-N 3.45Å; C428-M430 PolarHBondContact O-N 3.04Å; C428-L431 PolarHBondContact O-N 3.5Å; C428-A432 PolarHBondContact O-N 3.31Å
429G95.4Very high93.8Very high1 Ų134.3 Ų34.31%0.0117%0.166CC..Hα-helixtrans-59.2-46.217500000112.4Y425 V426 A432 I433 F464Y425-G429 PolarHBondContact O-N 2.92Å; V426-G429 PolarHBondContact O-N 2.86Å; G429-A432 WeakPolarHBondContact O-CB 3.5Å; G429-A432 PolarHBondContact O-N 3.37Å; G429-A432 VanDerWaalsContact O-N 3.17Å; G429-I433 VanDerWaalsContact O-CG1 3.28Å; G429-I433 WeakPolarHBondContact O-CG1 3.48Å; G429-I433 PolarHBondContact O-N 2.92Å; G429-F464 WeakPolarHBondContact CA-O 3.24Å
430M95.7Very high94.3Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-65.1-40.4178.7-70.6-51.5-65.200113.2T309 V426 I427 C428 A432 I433 V434 V468 A533 F534 L537T309-M430 HydrophobicContact CG2-CE 4.44Å; T309-M430 HydrophobicContact CG2-SD 3.88Å; T309-M430 WeakPolarHBondContact OG1-CE 3.34Å; T309-M430 PolarHBondContact OG1-SD 3.27Å; T309-M430 VanDerWaalsContact OG1-SD 3.34Å; V426-M430 HydrophobicContact CG1-CG 4.24Å; V426-M430 WeakPolarHBondContact O-CB 3.4Å; V426-M430 VanDerWaalsContact O-CG 3.31Å; V426-M430 WeakPolarHBondContact O-CG 3.34Å; V426-M430 PolarHBondContact O-N 3.45Å; I427-M430 PolarHBondContact O-N 3.22Å; C428-M430 PolarHBondContact O-N 3.04Å; M430-A432 VanDerWaalsContact C-N 3.27Å; M430-A432 PolarHBondContact O-N 2.85Å; M430-I433 HydrophobicContact CE-CD1 4.01Å; M430-I433 WeakPolarHBondContact O-CB 3.49Å; M430-I433 PolarHBondContact O-N 3.23Å; M430-I433 VanDerWaalsContact O-N 3.17Å; M430-I433 HydrophobicContact SD-CD1 3.52Å; M430-I433 VanDerWaalsContact SD-CD1 3.52Å; M430-I433 HydrophobicContact SD-CG1 4.35Å; M430-V434 WeakPolarHBondContact O-CG2 3.41Å; M430-V434 PolarHBondContact O-N 3.41Å; M430-V468 HydrophobicContact SD-CG1 4.12Å; M430-A533 HydrophobicContact CE-CB 3.59Å; M430-F534 HydrophobicContact CB-CB 4.3Å; M430-F534 HydrophobicContact CB-CD2 4.34Å; M430-L537 HydrophobicContact CB-CD1 4.11Å; M430-L537 HydrophobicContact CG-CD1 3.37Å
431L96.3Very high94.7Very high78 Ų7829.1 Ų29.141%0.40815%0.146SC..Hα-helixtrans-61.2-39.4173.2-178.4138.6000111.1I427 C428 V434 I435 F534I427-L431 WeakPolarHBondContact O-CB 3.4Å; I427-L431 PolarHBondContact O-N 3.38Å; C428-L431 PolarHBondContact O-N 3.5Å; L431-V434 PolarHBondContact O-N 2.91Å; L431-I435 HydrophobicContact CD2-CD1 3.47Å; L431-I435 VanDerWaalsContact CD2-CD1 3.47Å; L431-I435 HydrophobicContact CD2-CG1 4.45Å; L431-I435 HydrophobicContact CG-CD1 4.12Å; L431-I435 WeakPolarHBondContact O-CG1 3.49Å; L431-I435 PolarHBondContact O-N 3.48Å; L431-F534 HydrophobicContact CB-CD2 4.07Å; L431-F534 HydrophobicContact CB-CE2 3.81Å; L431-F534 HydrophobicContact CD1-CE2 3.85Å; L431-F534 HydrophobicContact CD1-CZ 3.88Å; L431-F534 HydrophobicContact CG-CE2 4.42Å
432A96.2Very high94.9Very high6 Ų627.7 Ų27.75%0.0515%0.145CC..Hα-helixtrans-64.7-37.117400000112.6C428 G429 M430 I435 S436 V461 F464C428-A432 PolarHBondContact O-N 3.31Å; G429-A432 WeakPolarHBondContact O-CB 3.5Å; G429-A432 PolarHBondContact O-N 3.37Å; G429-A432 VanDerWaalsContact O-N 3.17Å; M430-A432 VanDerWaalsContact C-N 3.27Å; M430-A432 PolarHBondContact O-N 2.85Å; A432-I435 PolarHBondContact O-N 2.96Å; A432-S436 WeakPolarHBondContact O-CB 3.46Å; A432-S436 PolarHBondContact O-N 3.18Å; A432-V461 HydrophobicContact CB-CG1 4.25Å; A432-V461 WeakPolarHBondContact O-CG1 3.38Å; A432-F464 HydrophobicContact CB-CB 3.65Å
433I96Very high95.2Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-58.7-51.8171.7-48.4-169.6000110.1T309 T313 G429 M430 I435 S436 K437 R465T309-I433 HydrophobicContact CG2-CD1 3.96Å; T313-I433 HydrophobicContact CG2-CD1 4.02Å; T313-I433 HydrophobicContact CG2-CG2 4.46Å; G429-I433 VanDerWaalsContact O-CG1 3.28Å; G429-I433 WeakPolarHBondContact O-CG1 3.48Å; G429-I433 PolarHBondContact O-N 2.92Å; M430-I433 HydrophobicContact CE-CD1 4.01Å; M430-I433 WeakPolarHBondContact O-CB 3.49Å; M430-I433 PolarHBondContact O-N 3.23Å; M430-I433 VanDerWaalsContact O-N 3.17Å; M430-I433 HydrophobicContact SD-CD1 3.52Å; M430-I433 VanDerWaalsContact SD-CD1 3.52Å; M430-I433 HydrophobicContact SD-CG1 4.35Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 2.97Å; I433-S436 PolarHBondContact O-N 2.96Å; I433-K437 HydrophobicContact CG2-CG 4.06Å; I433-K437 VanDerWaalsContact O-CG 3.22Å; I433-K437 WeakPolarHBondContact O-CG 3.46Å; I433-K437 PolarHBondContact O-N 2.91Å; I433-R465 HydrophobicContact CD1-CB 4.44Å; I433-R465 VanDerWaalsContact CD1-CD 3.46Å; I433-R465 HydrophobicContact CD1-CG 3.53Å; I433-R465 HydrophobicContact CG1-CB 3.99Å; I433-R465 HydrophobicContact CG1-CG 3.6Å
434V97.6Very high95.1Very high15 Ų1529 Ų299%0.09115%0.15CC..Hα-helixtrans-55.6-50.4-178.7172.80000110.6M430 L431 K437 L438 S527 F531M430-V434 WeakPolarHBondContact O-CG2 3.41Å; M430-V434 PolarHBondContact O-N 3.41Å; L431-V434 PolarHBondContact O-N 2.91Å; V434-K437 PolarHBondContact O-N 3.38Å; V434-L438 HydrophobicContact CG1-CD1 4.2Å; V434-L438 WeakPolarHBondContact O-CG 3.48Å; V434-L438 PolarHBondContact O-N 3.09Å; V434-S527 PolarHBondContact O-OG 3.38Å; V434-F531 HydrophobicContact CG1-CB 4.46Å; V434-F531 HydrophobicContact CG1-CD2 4.31Å; V434-F531 HydrophobicContact CG2-CB 4.07Å
435I97.2Very high95.1Very high73 Ų7328.9 Ų28.937%0.37416%0.155SC..Hα-helixtrans-64.5-45.9-179.3-64.4172.2000111.2L431 A432 I433 K437 L438 L439 V461L431-I435 HydrophobicContact CD2-CD1 3.47Å; L431-I435 VanDerWaalsContact CD2-CD1 3.47Å; L431-I435 HydrophobicContact CD2-CG1 4.45Å; L431-I435 HydrophobicContact CG-CD1 4.12Å; L431-I435 WeakPolarHBondContact O-CG1 3.49Å; L431-I435 PolarHBondContact O-N 3.48Å; A432-I435 PolarHBondContact O-N 2.96Å; I433-I435 VanDerWaalsContact C-N 3.34Å; I433-I435 PolarHBondContact O-N 2.97Å; I435-K437 VanDerWaalsContact C-N 3.35Å; I435-K437 PolarHBondContact O-N 3.05Å; I435-L438 PolarHBondContact O-N 3.39Å; I435-L439 HydrophobicContact CG2-CD1 3.74Å; I435-L439 HydrophobicContact CG2-CG 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.25Å; I435-L439 PolarHBondContact O-N 3Å; I435-V461 HydrophobicContact CB-CG1 4.06Å; I435-V461 HydrophobicContact CG2-CG1 3.93Å
436S96.7Very high94.9Very high1 Ų131.8 Ų31.81%0.00717%0.168CC..Hα-helixtrans-58.1-45.8178.2169.40000111.6A432 I433 L439 M440 S458 C462A432-S436 WeakPolarHBondContact O-CB 3.46Å; A432-S436 PolarHBondContact O-N 3.18Å; I433-S436 PolarHBondContact O-N 2.96Å; S436-L439 PolarHBondContact O-N 3.16Å; S436-M440 PolarHBondContact O-N 3.17Å; S436-S458 WeakPolarHBondContact CB-O 3.29Å; S436-S458 PolarHBondContact O-OG 3.39Å; S436-S458 PolarHBondContact OG-O 3.29Å; S436-S458 PolarHBondContact OG-OG 3.11Å; S436-C462 WeakPolarHBondContact OG-CB 3.35Å
437K96Very high94.6Very high0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-66.9-39.5178.5-61.4-65172.1174.90112E316 I433 V434 I435 M440 G441 F523E316-K437 IonicContact OE1-NZ 3.54Å; E316-K437 PolarHBondContact OE1-NZ 2.98Å; E316-K437 IonicContact OE2-NZ 3.02Å; E316-K437 PolarHBondContact OE2-NZ 3.25Å; I433-K437 HydrophobicContact CG2-CG 4.06Å; I433-K437 VanDerWaalsContact O-CG 3.22Å; I433-K437 WeakPolarHBondContact O-CG 3.46Å; I433-K437 PolarHBondContact O-N 2.91Å; V434-K437 PolarHBondContact O-N 3.38Å; I435-K437 VanDerWaalsContact C-N 3.35Å; I435-K437 PolarHBondContact O-N 3.05Å; K437-M440 PolarHBondContact O-N 2.89Å; K437-G441 PolarHBondContact O-N 3.44Å; K437-F523 HydrophobicContact CD-CD1 4.16Å; K437-F523 WeakPolarHBondContact O-CB 2.94Å
438L96.5Very high94.1Very high68 Ų6840 Ų4036%0.35623%0.225SC..Hα-helixtrans-60.2-46.4172.9-71.2174.9000111.7V434 I435 M440 G441 L442 F524 S527V434-L438 HydrophobicContact CG1-CD1 4.2Å; V434-L438 WeakPolarHBondContact O-CG 3.48Å; V434-L438 PolarHBondContact O-N 3.09Å; I435-L438 PolarHBondContact O-N 3.39Å; L438-M440 VanDerWaalsContact C-N 3.34Å; L438-M440 PolarHBondContact O-N 2.92Å; L438-G441 PolarHBondContact O-N 3.28Å; L438-L442 WeakPolarHBondContact O-CB 3.41Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.08Å; L438-L442 PolarHBondContact O-N 3.4Å; L438-F524 HydrophobicContact CD2-CD1 3.84Å; L438-F524 HydrophobicContact CD2-CE1 4.2Å; L438-S527 WeakPolarHBondContact CD2-OG 3.18Å; L438-S527 VanDerWaalsContact CG-OG 3.28Å; L438-S527 WeakPolarHBondContact CG-OG 3.39Å
439L96.3Very high93.7Very high30 Ų3041.1 Ų41.116%0.15723%0.232CC..Hα-helixtrans-60.9-42.7178-73.2162000111.8I435 S436 L442 A443 F454 V457 V461I435-L439 HydrophobicContact CG2-CD1 3.74Å; I435-L439 HydrophobicContact CG2-CG 4.34Å; I435-L439 WeakPolarHBondContact O-CG 3.25Å; I435-L439 PolarHBondContact O-N 3Å; S436-L439 PolarHBondContact O-N 3.16Å; L439-L442 PolarHBondContact O-N 3.14Å; L439-A443 PolarHBondContact O-N 3.48Å; L439-A443 VanDerWaalsContact O-N 3.1Å; L439-F454 HydrophobicContact CD2-CD1 3.79Å; L439-F454 HydrophobicContact CD2-CE1 3.9Å; L439-V457 HydrophobicContact CD1-CG1 4.15Å; L439-V461 HydrophobicContact CD1-CB 4.47Å; L439-V461 HydrophobicContact CD1-CG2 4Å
440M95.4Very high93.4Very high1 Ų142 Ų421%0.00524%0.24CC..Hα-helixtrans-63.6-42.8177.1-168.762.770.500111.5Y323 Y339 S436 K437 L438 L442 A443 V455 F523Y323-M440 HydrophobicContact CD1-SD 4.42Å; Y323-M440 HydrophobicContact CE1-CG 4.1Å; Y323-M440 HydrophobicContact CE1-SD 3.97Å; Y323-M440 PolarHBondContact OH-O 3.34Å; Y339-M440 WeakPolarHBondContact OH-CE 3.19Å; S436-M440 PolarHBondContact O-N 3.17Å; K437-M440 PolarHBondContact O-N 2.89Å; L438-M440 VanDerWaalsContact C-N 3.34Å; L438-M440 PolarHBondContact O-N 2.92Å; M440-L442 VanDerWaalsContact C-N 3.34Å; M440-L442 PolarHBondContact O-N 3.44Å; M440-A443 WeakPolarHBondContact O-CB 3.49Å; M440-A443 PolarHBondContact O-N 3.12Å; M440-V455 HydrophobicContact CE-CG1 4.14Å; M440-V455 HydrophobicContact SD-CB 4.43Å; M440-V455 HydrophobicContact SD-CG1 4.26Å; M440-V455 HydrophobicContact SD-CG2 3.96Å; M440-F523 HydrophobicContact CB-CB 4.5Å; M440-F523 HydrophobicContact CB-CD1 3.91Å; M440-F523 HydrophobicContact CB-CD2 4.48Å; M440-F523 HydrophobicContact CB-CE1 4.22Å; M440-F523 HydrophobicContact CB-CG 4.05Å; M440-F523 HydrophobicContact CG-CD1 3.62Å; M440-F523 HydrophobicContact CG-CD2 3.93Å; M440-F523 HydrophobicContact CG-CE1 3.44Å; M440-F523 VanDerWaalsContact CG-CE1 3.44Å; M440-F523 HydrophobicContact CG-CE2 3.77Å; M440-F523 HydrophobicContact CG-CG 3.87Å; M440-F523 HydrophobicContact CG-CZ 3.52Å
441G94.9Very high93.2Very high0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-68.3-28.5176.900000114.1K437 L438 F444 F524K437-G441 PolarHBondContact O-N 3.44Å; L438-G441 PolarHBondContact O-N 3.28Å; G441-F444 WeakPolarHBondContact O-CD1 3.1Å; G441-F444 WeakPolarHBondContact O-CE1 3.4Å; G441-F524 WeakPolarHBondContact O-CZ 3.39Å
442L94.5Very high93Very high65 Ų6540.9 Ų40.934%0.3423%0.234SC..Hα-helixtrans-83.3-15.7175.8-70.9169.8000113.4L438 L439 M440 F444 L445 F446 F524L438-L442 WeakPolarHBondContact O-CB 3.41Å; L438-L442 VanDerWaalsContact O-CG 3.31Å; L438-L442 WeakPolarHBondContact O-CG 3.08Å; L438-L442 PolarHBondContact O-N 3.4Å; L439-L442 PolarHBondContact O-N 3.14Å; M440-L442 VanDerWaalsContact C-N 3.34Å; M440-L442 PolarHBondContact O-N 3.44Å; L442-F444 VanDerWaalsContact C-N 3.3Å; L442-F444 PolarHBondContact O-N 3.23Å; L442-L445 HydrophobicContact CD2-CD1 3.81Å; L442-L445 WeakPolarHBondContact O-CB 3.28Å; L442-L445 PolarHBondContact O-N 3.33Å; L442-L445 VanDerWaalsContact O-N 3.14Å; L442-F446 HydrophobicContact CB-CE2 4.47Å; L442-F446 WeakPolarHBondContact O-CD2 3.14Å; L442-F524 HydrophobicContact CD2-CE1 4.17Å; L442-F524 HydrophobicContact CD2-CZ 3.86Å; L442-F524 HydrophobicContact CG-CE1 4.07Å; L442-F524 HydrophobicContact CG-CZ 4.06Å
443A94.3Very high92.8Very high0 Ų045.2 Ų45.20%026%0.256CS..G310 helixtrans-58.4-37.7-171.200000113.4F329 L439 M440 L445 F446 H451 F454 V455F329-A443 HydrophobicContact CE1-CB 4.14Å; F329-A443 HydrophobicContact CZ-CB 3.78Å; L439-A443 PolarHBondContact O-N 3.48Å; L439-A443 VanDerWaalsContact O-N 3.1Å; M440-A443 WeakPolarHBondContact O-CB 3.49Å; M440-A443 PolarHBondContact O-N 3.12Å; A443-L445 PolarHBondContact O-N 3.06Å; A443-F446 PolarHBondContact O-N 3.01Å; A443-H451 WeakPolarHBondContact O-CA 3.48Å; A443-H451 WeakPolarHBondContact O-CB 3.46Å; A443-F454 HydrophobicContact CB-CB 3.78Å; A443-V455 HydrophobicContact CB-CG2 3.96Å
444F90.4Very high92.8Very high43 Ų4347.9 Ų47.919%0.18927%0.267CS..G310 helixtrans-66.7-18.2-178.382.4-85.8000114.4Y323 P328 F329 G441 L442 F446 S519Y323-F444 HydrophobicContact CE2-CB 4.41Å; Y323-F444 PolarHBondContact OH-N 3.11Å; P328-F444 HydrophobicContact CG-CB 4.31Å; F329-F444 HydrophobicContact CE2-CB 4.21Å; F329-F444 HydrophobicContact CZ-CB 4.39Å; G441-F444 WeakPolarHBondContact O-CD1 3.1Å; G441-F444 WeakPolarHBondContact O-CE1 3.4Å; L442-F444 VanDerWaalsContact C-N 3.3Å; L442-F444 PolarHBondContact O-N 3.23Å; F444-F446 VanDerWaalsContact C-N 3.28Å; F444-F446 PolarHBondContact O-N 2.95Å; F444-S519 WeakPolarHBondContact CB-OG 3.26Å; F444-S519 WeakPolarHBondContact CD2-OG 3.4Å; F444-S519 WeakPolarHBondContact CG-OG 3.27Å
445L90.7Very high92.6Very high109 Ų10947.1 Ų47.157%0.57126%0.263SS*.G310 helixtrans-76.7-16.3-178.5-66.9170.1000112.9L442 A443L442-L445 HydrophobicContact CD2-CD1 3.81Å; L442-L445 WeakPolarHBondContact O-CB 3.28Å; L442-L445 PolarHBondContact O-N 3.33Å; L442-L445 VanDerWaalsContact O-N 3.14Å; A443-L445 PolarHBondContact O-N 3.06Å
446F90Very high92.5Very high81 Ų8147.3 Ų47.336%0.35526%0.261SS..SBendtrans-94.1138.7-174.9-67.3-83.8000112L442 A443 F444 H451 F454L442-F446 HydrophobicContact CB-CE2 4.47Å; L442-F446 WeakPolarHBondContact O-CD2 3.14Å; A443-F446 PolarHBondContact O-N 3.01Å; F444-F446 VanDerWaalsContact C-N 3.28Å; F444-F446 PolarHBondContact O-N 2.95Å; F446-H451 WeakPolarHBondContact O-CB 3.33Å; F446-H451 PolarHBondContact O-ND1 3Å; F446-F454 HydrophobicContact CD1-CD2 4.47Å; F446-F454 AromaticContact CD1-CE2 3.84Å; F446-F454 HydrophobicContact CD1-CE2 3.84Å; F446-F454 HydrophobicContact CD1-CZ 4.43Å; F446-F454 HydrophobicContact CD2-CD1 4.42Å; F446-F454 AromaticContact CD2-CD2 3.57Å; F446-F454 HydrophobicContact CD2-CD2 3.57Å; F446-F454 HydrophobicContact CD2-CE1 4.38Å; F446-F454 AromaticContact CD2-CE2 3.52Å; F446-F454 HydrophobicContact CD2-CE2 3.52Å; F446-F454 HydrophobicContact CD2-CG 4.05Å; F446-F454 AromaticContact CD2-CZ 3.96Å; F446-F454 HydrophobicContact CD2-CZ 3.96Å; F446-F454 AromaticContact CE1-CE2 3.73Å; F446-F454 HydrophobicContact CE1-CE2 3.73Å; F446-F454 AromaticContact CE1-CZ 3.87Å; F446-F454 HydrophobicContact CE1-CZ 3.87Å; F446-F454 HydrophobicContact CE2-CD1 4.06Å; F446-F454 AromaticContact CE2-CD2 3.82Å; F446-F454 HydrophobicContact CE2-CD2 3.82Å; F446-F454 AromaticContact CE2-CE1 3.66Å; F446-F454 HydrophobicContact CE2-CE1 3.66Å; F446-F454 AromaticContact CE2-CE2 3.41Å; F446-F454 HydrophobicContact CE2-CE2 3.41Å; F446-F454 VanDerWaalsContact CE2-CE2 3.41Å; F446-F454 HydrophobicContact CE2-CG 4.14Å; F446-F454 AromaticContact CE2-CZ 3.32Å; F446-F454 HydrophobicContact CE2-CZ 3.32Å; F446-F454 AromaticContact CG-CD2 3.93Å; F446-F454 HydrophobicContact CG-CD2 3.93Å; F446-F454 AromaticContact CG-CE2 3.74Å; F446-F454 HydrophobicContact CG-CE2 3.74Å; F446-F454 HydrophobicContact CG-CZ 4.47Å; F446-F454 HydrophobicContact CZ-CD2 4.37Å; F446-F454 AromaticContact CZ-CE1 3.98Å; F446-F454 HydrophobicContact CZ-CE1 3.98Å; F446-F454 AromaticContact CZ-CE2 3.52Å; F446-F454 HydrophobicContact CZ-CE2 3.52Å; F446-F454 AromaticContact CZ-CZ 3.27Å; F446-F454 HydrophobicContact CZ-CZ 3.27Å
447P88.1Confident92.5Very high104 Ų10450.3 Ų50.368%0.67528%0.279SS*.PPolyproline II helixtrans-65.9160.5174.227.8-34000111.4G450P447-G450 WeakPolarHBondContact O-CA 3.49Å; P447-G450 PolarHBondContact O-N 3Å
448S83.9Confident92.4Very high95 Ų9550.4 Ų50.466%0.66428%0.28SS*.THydrogen-bonded Turntrans-60.2135.317254.30000110.7H451S448-H451 WeakPolarHBondContact CA-CE1 3.37Å; S448-H451 VanDerWaalsContact CB-CE1 3.49Å; S448-H451 WeakPolarHBondContact CB-CE1 3.46Å; S448-H451 PolarHBondContact N-ND1 3.34Å
449P86.4Confident92.3Very high94 Ų9447.2 Ų47.261%0.6126%0.263SS*.THydrogen-bonded Turncis-92.54.94.436.5-36.2000114.7H451 N452 I453P449-H451 PolarHBondContact O-N 2.74Å; P449-N452 PolarHBondContact O-N 3.31Å; P449-I453 PolarHBondContact O-N 3.01Å
450G89.4Confident92.2Very high18 Ų1851.5 Ų51.519%0.18628%0.281CS..Hα-helixtrans-56.8-43.6-173.500000113.9P447 N452 I453 F454P447-G450 WeakPolarHBondContact O-CA 3.49Å; P447-G450 PolarHBondContact O-N 3Å; G450-N452 VanDerWaalsContact C-N 3.3Å; G450-N452 PolarHBondContact O-N 3.5Å; G450-I453 WeakPolarHBondContact O-CB 3.46Å; G450-I453 PolarHBondContact O-N 3.44Å; G450-F454 WeakPolarHBondContact O-CD2 3.42Å; G450-F454 PolarHBondContact O-N 3.46Å
451H90.1Very high92.2Very high11 Ų1153.2 Ų53.25%0.05129%0.291CS..Hα-helixtrans-56.8-41.4-179.855.4-108.3000113F329 A443 F446 S448 P449 F454 V455F329-H451 HydrophobicContact CD1-CB 4.22Å; F329-H451 AromaticContact CD1-CD2 3.51Å; F329-H451 HydrophobicContact CE1-CB 3.63Å; F329-H451 AromaticContact CE1-CD2 3.84Å; F329-H451 HydrophobicContact CZ-CB 4.24Å; A443-H451 WeakPolarHBondContact O-CA 3.48Å; A443-H451 WeakPolarHBondContact O-CB 3.46Å; F446-H451 WeakPolarHBondContact O-CB 3.33Å; F446-H451 PolarHBondContact O-ND1 3Å; S448-H451 WeakPolarHBondContact CA-CE1 3.37Å; S448-H451 VanDerWaalsContact CB-CE1 3.49Å; S448-H451 WeakPolarHBondContact CB-CE1 3.46Å; S448-H451 PolarHBondContact N-ND1 3.34Å; P449-H451 PolarHBondContact O-N 2.74Å; H451-F454 PolarHBondContact O-N 2.99Å; H451-V455 WeakPolarHBondContact O-CG2 3.32Å; H451-V455 PolarHBondContact O-N 3.27Å
452N91.8Very high92Very high44 Ų4453.3 Ų53.324%0.23529%0.292CS..Hα-helixtrans-67.9-38.6177.8-72-33.2000111.3W331 P449 G450 F454 V455 F456W331-N452 PolarHBondContact NE1-OD1 3.33Å; P449-N452 PolarHBondContact O-N 3.31Å; G450-N452 VanDerWaalsContact C-N 3.3Å; G450-N452 PolarHBondContact O-N 3.5Å; N452-F454 VanDerWaalsContact C-N 3.32Å; N452-F454 PolarHBondContact O-N 3.43Å; N452-V455 WeakPolarHBondContact O-CB 3.49Å; N452-V455 PolarHBondContact O-N 3.44Å; N452-F456 WeakPolarHBondContact O-CD2 3.18Å; N452-F456 PolarHBondContact O-N 2.85Å; N452-F456 VanDerWaalsContact O-N 3.08Å
453I93.5Very high91.9Very high98 Ų9850.5 Ų50.550%0.50328%0.277SS..Hα-helixtrans-60.2-44.5176.2-61.8170.5000110.1P449 G450 V455 F456 V457P449-I453 PolarHBondContact O-N 3.01Å; G450-I453 WeakPolarHBondContact O-CB 3.46Å; G450-I453 PolarHBondContact O-N 3.44Å; I453-V455 VanDerWaalsContact C-N 3.34Å; I453-V455 PolarHBondContact O-N 3.33Å; I453-F456 PolarHBondContact O-N 2.64Å; I453-V457 HydrophobicContact CG2-CG2 4.12Å; I453-V457 WeakPolarHBondContact O-CB 3.49Å; I453-V457 VanDerWaalsContact O-CG2 3.26Å; I453-V457 WeakPolarHBondContact O-CG2 3.4Å; I453-V457 PolarHBondContact O-N 2.87Å
454F94.3Very high91.7Very high55 Ų5555.6 Ų55.624%0.24130%0.3CS..Hα-helixtrans-61.8-38.6177.1-88.6-92.6000113L439 A443 F446 G450 H451 N452 V457 S458L439-F454 HydrophobicContact CD2-CD1 3.79Å; L439-F454 HydrophobicContact CD2-CE1 3.9Å; A443-F454 HydrophobicContact CB-CB 3.78Å; F446-F454 HydrophobicContact CD1-CD2 4.47Å; F446-F454 AromaticContact CD1-CE2 3.84Å; F446-F454 HydrophobicContact CD1-CE2 3.84Å; F446-F454 HydrophobicContact CD1-CZ 4.43Å; F446-F454 HydrophobicContact CD2-CD1 4.42Å; F446-F454 AromaticContact CD2-CD2 3.57Å; F446-F454 HydrophobicContact CD2-CD2 3.57Å; F446-F454 HydrophobicContact CD2-CE1 4.38Å; F446-F454 AromaticContact CD2-CE2 3.52Å; F446-F454 HydrophobicContact CD2-CE2 3.52Å; F446-F454 HydrophobicContact CD2-CG 4.05Å; F446-F454 AromaticContact CD2-CZ 3.96Å; F446-F454 HydrophobicContact CD2-CZ 3.96Å; F446-F454 AromaticContact CE1-CE2 3.73Å; F446-F454 HydrophobicContact CE1-CE2 3.73Å; F446-F454 AromaticContact CE1-CZ 3.87Å; F446-F454 HydrophobicContact CE1-CZ 3.87Å; F446-F454 HydrophobicContact CE2-CD1 4.06Å; F446-F454 AromaticContact CE2-CD2 3.82Å; F446-F454 HydrophobicContact CE2-CD2 3.82Å; F446-F454 AromaticContact CE2-CE1 3.66Å; F446-F454 HydrophobicContact CE2-CE1 3.66Å; F446-F454 AromaticContact CE2-CE2 3.41Å; F446-F454 HydrophobicContact CE2-CE2 3.41Å; F446-F454 VanDerWaalsContact CE2-CE2 3.41Å; F446-F454 HydrophobicContact CE2-CG 4.14Å; F446-F454 AromaticContact CE2-CZ 3.32Å; F446-F454 HydrophobicContact CE2-CZ 3.32Å; F446-F454 AromaticContact CG-CD2 3.93Å; F446-F454 HydrophobicContact CG-CD2 3.93Å; F446-F454 AromaticContact CG-CE2 3.74Å; F446-F454 HydrophobicContact CG-CE2 3.74Å; F446-F454 HydrophobicContact CG-CZ 4.47Å; F446-F454 HydrophobicContact CZ-CD2 4.37Å; F446-F454 AromaticContact CZ-CE1 3.98Å; F446-F454 HydrophobicContact CZ-CE1 3.98Å; F446-F454 AromaticContact CZ-CE2 3.52Å; F446-F454 HydrophobicContact CZ-CE2 3.52Å; F446-F454 AromaticContact CZ-CZ 3.27Å; F446-F454 HydrophobicContact CZ-CZ 3.27Å; G450-F454 WeakPolarHBondContact O-CD2 3.42Å; G450-F454 PolarHBondContact O-N 3.46Å; H451-F454 PolarHBondContact O-N 2.99Å; N452-F454 VanDerWaalsContact C-N 3.32Å; N452-F454 PolarHBondContact O-N 3.43Å; F454-V457 PolarHBondContact O-N 3.17Å; F454-S458 VanDerWaalsContact O-CB 3.31Å; F454-S458 WeakPolarHBondContact O-CB 3.47Å; F454-S458 PolarHBondContact O-N 3.45Å
455V94.8Very high91.8Very high0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-60.4-47.2174.1171.80000111L324 F329 W331 Y339 M440 A443 H451 N452 I453 S458 L459L324-V455 HydrophobicContact CD2-CG1 3.98Å; L324-V455 HydrophobicContact CD2-CG2 3.85Å; F329-V455 HydrophobicContact CD1-CG2 4.19Å; F329-V455 HydrophobicContact CE1-CG2 3.5Å; F329-V455 HydrophobicContact CZ-CG2 4.11Å; W331-V455 HydrophobicContact CH2-CG1 3.78Å; W331-V455 HydrophobicContact CZ2-CG1 4.28Å; Y339-V455 HydrophobicContact CD2-CG1 4.09Å; Y339-V455 HydrophobicContact CE2-CG1 3.51Å; M440-V455 HydrophobicContact CE-CG1 4.14Å; M440-V455 HydrophobicContact SD-CB 4.43Å; M440-V455 HydrophobicContact SD-CG1 4.26Å; M440-V455 HydrophobicContact SD-CG2 3.96Å; A443-V455 HydrophobicContact CB-CG2 3.96Å; H451-V455 WeakPolarHBondContact O-CG2 3.32Å; H451-V455 PolarHBondContact O-N 3.27Å; N452-V455 WeakPolarHBondContact O-CB 3.49Å; N452-V455 PolarHBondContact O-N 3.44Å; I453-V455 VanDerWaalsContact C-N 3.34Å; I453-V455 PolarHBondContact O-N 3.33Å; V455-S458 WeakPolarHBondContact O-CB 3.09Å; V455-S458 PolarHBondContact O-N 3.29Å; V455-L459 PolarHBondContact O-N 3.02Å
456F95.1Very high91.8Very high76 Ų7650.5 Ų50.533%0.33327%0.272SS..Hα-helixtrans-69.4-39.4178.3-71.2-66.7000113.1W331 Y339 L342 N452 I453 S458 L459 F460W331-F456 HydrophobicContact CH2-CZ 4.26Å; Y339-F456 HydrophobicContact CD2-CE1 4.33Å; L342-F456 HydrophobicContact CD2-CD1 4.37Å; L342-F456 HydrophobicContact CD2-CE1 4.19Å; N452-F456 WeakPolarHBondContact O-CD2 3.18Å; N452-F456 PolarHBondContact O-N 2.85Å; N452-F456 VanDerWaalsContact O-N 3.08Å; I453-F456 PolarHBondContact O-N 2.64Å; F456-S458 VanDerWaalsContact C-N 3.32Å; F456-S458 PolarHBondContact O-N 2.82Å; F456-L459 WeakPolarHBondContact O-CB 3.41Å; F456-L459 PolarHBondContact O-N 3.33Å; F456-F460 WeakPolarHBondContact O-CD2 3.38Å; F456-F460 PolarHBondContact O-N 3.16Å
457V95.5Very high91.7Very high65 Ų6546.8 Ų46.839%0.39426%0.256SS..Hα-helixtrans-61.3-43.3174.31730000110.5L439 I453 F454 L459 F460 V461L439-V457 HydrophobicContact CD1-CG1 4.15Å; I453-V457 HydrophobicContact CG2-CG2 4.12Å; I453-V457 WeakPolarHBondContact O-CB 3.49Å; I453-V457 VanDerWaalsContact O-CG2 3.26Å; I453-V457 WeakPolarHBondContact O-CG2 3.4Å; I453-V457 PolarHBondContact O-N 2.87Å; F454-V457 PolarHBondContact O-N 3.17Å; V457-L459 VanDerWaalsContact C-N 3.3Å; V457-L459 PolarHBondContact O-N 3.02Å; V457-F460 PolarHBondContact O-N 2.79Å; V457-V461 WeakPolarHBondContact O-CG2 3.46Å; V457-V461 PolarHBondContact O-N 3.45Å
458S95.2Very high92Very high1 Ų141.9 Ų41.91%0.00723%0.225CC..Hα-helixtrans-57.2-43.8174.1174.60000112.1S436 F454 V455 F456 V461 C462S436-S458 WeakPolarHBondContact CB-O 3.29Å; S436-S458 PolarHBondContact O-OG 3.39Å; S436-S458 PolarHBondContact OG-O 3.29Å; S436-S458 PolarHBondContact OG-OG 3.11Å; F454-S458 VanDerWaalsContact O-CB 3.31Å; F454-S458 WeakPolarHBondContact O-CB 3.47Å; F454-S458 PolarHBondContact O-N 3.45Å; V455-S458 WeakPolarHBondContact O-CB 3.09Å; V455-S458 PolarHBondContact O-N 3.29Å; F456-S458 VanDerWaalsContact C-N 3.32Å; F456-S458 PolarHBondContact O-N 2.82Å; S458-V461 PolarHBondContact O-N 3.29Å; S458-C462 WeakPolarHBondContact O-CB 3.35Å; S458-C462 PolarHBondContact O-N 3Å
459L93.8Very high92.5Very high1 Ų138 Ų381%0.00520%0.197CC..Hα-helixtrans-61-46176.9172.2166.8000111.6Y339 L342 N343 L346 V455 F456 V457 V461 C462 V463Y339-L459 HydrophobicContact CD2-CD1 3.8Å; Y339-L459 HydrophobicContact CE2-CB 4.27Å; Y339-L459 HydrophobicContact CE2-CD1 3.55Å; Y339-L459 HydrophobicContact CE2-CG 4.49Å; L342-L459 HydrophobicContact CD2-CD1 4.26Å; L342-L459 HydrophobicContact CG-CD1 4.33Å; N343-L459 HydrophobicContact CB-CD1 3.75Å; N343-L459 HydrophobicContact CB-CG 4.14Å; L346-L459 HydrophobicContact CD1-CD2 3.29Å; V455-L459 PolarHBondContact O-N 3.02Å; F456-L459 WeakPolarHBondContact O-CB 3.41Å; F456-L459 PolarHBondContact O-N 3.33Å; V457-L459 VanDerWaalsContact C-N 3.3Å; V457-L459 PolarHBondContact O-N 3.02Å; L459-V461 VanDerWaalsContact C-N 3.35Å; L459-V461 PolarHBondContact O-N 3.31Å; L459-C462 VanDerWaalsContact O-CB 3.31Å; L459-C462 WeakPolarHBondContact O-CB 3.29Å; L459-C462 PolarHBondContact O-N 2.9Å; L459-C462 VanDerWaalsContact O-N 3.15Å; L459-V463 PolarHBondContact O-N 3.1Å
460F94.2Very high92.8Very high121 Ų12133.7 Ų33.753%0.53117%0.169SC..Hα-helixtrans-64-38.2177.6-79.3-69000112.7L346 F456 V457 C462 V463L346-F460 HydrophobicContact CD1-CD1 4.41Å; L346-F460 HydrophobicContact CD1-CE1 4.1Å; F456-F460 WeakPolarHBondContact O-CD2 3.38Å; F456-F460 PolarHBondContact O-N 3.16Å; V457-F460 PolarHBondContact O-N 2.79Å; F460-C462 VanDerWaalsContact C-N 3.33Å; F460-V463 WeakPolarHBondContact O-CB 3.43Å; F460-V463 WeakPolarHBondContact O-CG2 3.47Å; F460-V463 PolarHBondContact O-N 2.99Å
461V94.8Very high92.9Very high37 Ų3732.9 Ų32.922%0.22416%0.16CC..Hα-helixtrans-65.2-39.1173.8175.10000110.8A432 I435 L439 V457 S458 L459 V463 F464A432-V461 HydrophobicContact CB-CG1 4.25Å; A432-V461 WeakPolarHBondContact O-CG1 3.38Å; I435-V461 HydrophobicContact CB-CG1 4.06Å; I435-V461 HydrophobicContact CG2-CG1 3.93Å; L439-V461 HydrophobicContact CD1-CB 4.47Å; L439-V461 HydrophobicContact CD1-CG2 4Å; V457-V461 WeakPolarHBondContact O-CG2 3.46Å; V457-V461 PolarHBondContact O-N 3.45Å; S458-V461 PolarHBondContact O-N 3.29Å; L459-V461 VanDerWaalsContact C-N 3.35Å; L459-V461 PolarHBondContact O-N 3.31Å; V461-V463 PolarHBondContact O-N 3.44Å; V461-V463 VanDerWaalsContact O-N 3.13Å; V461-F464 PolarHBondContact O-N 3.12Å
462C92.2Very high93.1Very high2 Ų232.5 Ų32.51%0.01416%0.158CC..Hα-helixtrans-60.3-24.1-179.6-163.70000113.1S436 S458 L459 F460 F464 R465S436-C462 WeakPolarHBondContact OG-CB 3.35Å; S458-C462 WeakPolarHBondContact O-CB 3.35Å; S458-C462 PolarHBondContact O-N 3Å; L459-C462 VanDerWaalsContact O-CB 3.31Å; L459-C462 WeakPolarHBondContact O-CB 3.29Å; L459-C462 PolarHBondContact O-N 2.9Å; L459-C462 VanDerWaalsContact O-N 3.15Å; F460-C462 VanDerWaalsContact C-N 3.33Å; C462-F464 PolarHBondContact O-N 2.66Å; C462-F464 VanDerWaalsContact O-N 3.16Å; C462-R465 WeakPolarHBondContact O-CB 3.36Å; C462-R465 PolarHBondContact O-N 3.42Å; C462-R465 PolarHBondContact SG-NE 3.11Å
463V92.1Very high93.1Very high5 Ų530.9 Ų30.93%0.0315%0.149CC..G310 helixtrans-56.4-34.6-178.7178.80000113.1L346 F350 L459 F460 V461 R465 S466L346-V463 HydrophobicContact CB-CG2 3.82Å; L346-V463 HydrophobicContact CD1-CG2 4.49Å; F350-V463 HydrophobicContact CB-CG1 3.4Å; F350-V463 VanDerWaalsContact CB-CG1 3.4Å; F350-V463 HydrophobicContact CD1-CG1 3.44Å; F350-V463 VanDerWaalsContact CD1-CG1 3.44Å; F350-V463 HydrophobicContact CD2-CG1 3.24Å; F350-V463 HydrophobicContact CE1-CG1 3.91Å; F350-V463 HydrophobicContact CE2-CG1 3.72Å; F350-V463 HydrophobicContact CG-CG1 3.05Å; F350-V463 HydrophobicContact CZ-CG1 4.03Å; L459-V463 PolarHBondContact O-N 3.1Å; F460-V463 WeakPolarHBondContact O-CB 3.43Å; F460-V463 WeakPolarHBondContact O-CG2 3.47Å; F460-V463 PolarHBondContact O-N 2.99Å; V461-V463 PolarHBondContact O-N 3.44Å; V461-V463 VanDerWaalsContact O-N 3.13Å; V463-R465 PolarHBondContact O-N 3.34Å; V463-S466 WeakPolarHBondContact O-CB 3.33Å; V463-S466 PolarHBondContact O-N 2.92Å
464F90.3Very high93Very high108 Ų10826.2 Ų26.247%0.47413%0.125SC..G310 helixtrans-67.3-14.2177.3-70.1-78.6000114.1G429 A432 V461 C462 S466G429-F464 WeakPolarHBondContact CA-O 3.24Å; A432-F464 HydrophobicContact CB-CB 3.65Å; V461-F464 PolarHBondContact O-N 3.12Å; C462-F464 PolarHBondContact O-N 2.66Å; C462-F464 VanDerWaalsContact O-N 3.16Å; F464-S466 PolarHBondContact O-N 3.32Å
465R90.9Very high92.7Very high40 Ų4024.1 Ų24.115%0.15112%0.116CC..G310 helixtrans-68.3-19.1170-177.5179.361.179.3-4.6112.5I433 C462 V463 V468I433-R465 HydrophobicContact CD1-CB 4.44Å; I433-R465 VanDerWaalsContact CD1-CD 3.46Å; I433-R465 HydrophobicContact CD1-CG 3.53Å; I433-R465 HydrophobicContact CG1-CB 3.99Å; I433-R465 HydrophobicContact CG1-CG 3.6Å; C462-R465 WeakPolarHBondContact O-CB 3.36Å; C462-R465 PolarHBondContact O-N 3.42Å; C462-R465 PolarHBondContact SG-NE 3.11Å; V463-R465 PolarHBondContact O-N 3.34Å; R465-V468 VanDerWaalsContact O-CB 3.27Å; R465-V468 WeakPolarHBondContact O-CB 3.08Å; R465-V468 WeakPolarHBondContact O-CG2 3.28Å; R465-V468 PolarHBondContact O-N 3.23Å
466S90.7Very high92.4Very high5 Ų524.3 Ų24.34%0.03512%0.117CC..THydrogen-bonded Turntrans-55.4148.2-174.3-165.20000111.4L347 S351 Y425 V463 F464 V468L347-S466 PolarHBondContact O-OG 3.13Å; S351-S466 WeakPolarHBondContact CA-OG 3.45Å; S351-S466 WeakPolarHBondContact CB-OG 3.24Å; S351-S466 PolarHBondContact N-OG 2.96Å; Y425-S466 PolarHBondContact OH-O 3.29Å; V463-S466 WeakPolarHBondContact O-CB 3.33Å; V463-S466 PolarHBondContact O-N 2.92Å; F464-S466 PolarHBondContact O-N 3.32Å; S466-V468 PolarHBondContact O-N 2.96Å
467A89.3Confident92Very high2 Ų220.7 Ų20.72%0.01710%0.101CC..THydrogen-bonded Turntrans56.97.8-176.100000117.6T355 V469 P470 V471T355-A467 WeakPolarHBondContact OG1-CB 3.21Å; A467-V469 PolarHBondContact O-N 3.47Å; A467-P470 VanDerWaalsContact C-CD 3.47Å; A467-P470 HydrophobicContact CB-CG 3.99Å; A467-P470 VanDerWaalsContact O-CD 3.32Å; A467-P470 WeakPolarHBondContact O-CD 3.47Å; A467-P470 VanDerWaalsContact O-CG 3.3Å; A467-P470 WeakPolarHBondContact O-CG 3.34Å; A467-V471 VanDerWaalsContact O-CB 3.28Å; A467-V471 WeakPolarHBondContact O-CB 3.34Å; A467-V471 WeakPolarHBondContact O-CG2 3.23Å; A467-V471 PolarHBondContact O-N 3.21Å; A467-V471 VanDerWaalsContact O-N 3.1Å
468V93.7Very high91.4Very high2 Ų217.7 Ų17.71%0.0128%0.083CC..Hα-helixtrans-60.8-46177.2163.80000112T309 Y425 V426 M430 R465 S466 V471 L472T309-V468 HydrophobicContact CG2-CG1 4.06Å; Y425-V468 HydrophobicContact CE1-CG2 4.44Å; V426-V468 HydrophobicContact CG1-CG1 4.16Å; M430-V468 HydrophobicContact SD-CG1 4.12Å; R465-V468 VanDerWaalsContact O-CB 3.27Å; R465-V468 WeakPolarHBondContact O-CB 3.08Å; R465-V468 WeakPolarHBondContact O-CG2 3.28Å; R465-V468 PolarHBondContact O-N 3.23Å; S466-V468 PolarHBondContact O-N 2.96Å; V468-V471 PolarHBondContact O-N 3.44Å; V468-L472 HydrophobicContact CG1-CD1 3.92Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 3.13Å
469V93.6Very high90.9Very high13 Ų1320.1 Ų20.18%0.07910%0.096CC..Hα-helixtrans-62.9-52.7178.9172.10000112.8L306 T309 T310 A467 V471 L472 K473 E496L306-V469 HydrophobicContact CD1-CG1 4.05Å; L306-V469 HydrophobicContact CD1-CG2 4.37Å; T309-V469 HydrophobicContact CG2-CG2 4.5Å; T310-V469 HydrophobicContact CG2-CG2 4.14Å; A467-V469 PolarHBondContact O-N 3.47Å; V469-V471 PolarHBondContact O-N 3.42Å; V469-L472 PolarHBondContact O-N 3.35Å; V469-K473 HydrophobicContact CG1-CD 4.2Å; V469-K473 HydrophobicContact CG1-CG 4.48Å; V469-K473 WeakPolarHBondContact O-CG 3.42Å; V469-K473 PolarHBondContact O-N 3.35Å; V469-E496 WeakPolarHBondContact CG1-OE1 3.2Å
470P93.1Very high90.3Very high4 Ų421.3 Ų21.33%0.02610%0.101CC..Hα-helixtrans-63.2-32.1178.522.9-33.7000112.6L186 M189 D193 A467 S474L186-P470 HydrophobicContact CD1-CB 4.4Å; M189-P470 HydrophobicContact CB-CB 3.74Å; D193-P470 HydrophobicContact CB-CG 4.39Å; A467-P470 VanDerWaalsContact C-CD 3.47Å; A467-P470 HydrophobicContact CB-CG 3.99Å; A467-P470 VanDerWaalsContact O-CD 3.32Å; A467-P470 WeakPolarHBondContact O-CD 3.47Å; A467-P470 VanDerWaalsContact O-CG 3.3Å; A467-P470 WeakPolarHBondContact O-CG 3.34Å; P470-S474 WeakPolarHBondContact O-CB 3.46Å; P470-S474 PolarHBondContact O-N 3.3Å
471V92.7Very high89.5Confident0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-62.2-55.8171172.50000109.7L186 T358 M422 Y425 V426 A467 V468 V469 K473 S474 F475L186-V471 HydrophobicContact CD1-CB 4.42Å; L186-V471 HydrophobicContact CD1-CG2 3.81Å; L186-V471 HydrophobicContact CD2-CG2 4.48Å; T358-V471 HydrophobicContact CG2-CG2 4.31Å; M422-V471 HydrophobicContact CE-CB 4.06Å; M422-V471 HydrophobicContact CE-CG1 3.41Å; M422-V471 VanDerWaalsContact CE-CG1 3.41Å; M422-V471 WeakPolarHBondContact CE-O 3.45Å; M422-V471 HydrophobicContact CG-CG1 3.39Å; M422-V471 HydrophobicContact SD-CG1 4.31Å; Y425-V471 HydrophobicContact CD1-CB 4.5Å; Y425-V471 HydrophobicContact CD1-CG1 4.22Å; Y425-V471 HydrophobicContact CD1-CG2 4.06Å; Y425-V471 HydrophobicContact CE1-CG2 3.94Å; V426-V471 HydrophobicContact CG2-CB 4.19Å; V426-V471 HydrophobicContact CG2-CG1 3.35Å; A467-V471 VanDerWaalsContact O-CB 3.28Å; A467-V471 WeakPolarHBondContact O-CB 3.34Å; A467-V471 WeakPolarHBondContact O-CG2 3.23Å; A467-V471 PolarHBondContact O-N 3.21Å; A467-V471 VanDerWaalsContact O-N 3.1Å; V468-V471 PolarHBondContact O-N 3.44Å; V469-V471 PolarHBondContact O-N 3.42Å; V471-K473 VanDerWaalsContact C-N 3.29Å; V471-K473 PolarHBondContact O-N 3.44Å; V471-S474 PolarHBondContact O-N 2.93Å; V471-S474 VanDerWaalsContact O-N 3.1Å; V471-F475 PolarHBondContact O-N 3.02Å
472L93.2Very high88.4Confident3 Ų318.9 Ų18.92%0.01610%0.096CC..Hα-helixtrans-52.6-46.4177.2-75.9166.5000112.5V302 V305 L306 V426 V468 V469 S474 F475 I476V302-L472 HydrophobicContact CG1-CD2 3.66Å; V305-L472 HydrophobicContact CG1-CD1 4.13Å; V305-L472 HydrophobicContact CG1-CD2 4.1Å; L306-L472 HydrophobicContact CB-CD1 4.39Å; L306-L472 HydrophobicContact CD1-CB 4.1Å; L306-L472 HydrophobicContact CD1-CD1 4.03Å; V426-L472 HydrophobicContact CG1-CD1 4.32Å; V426-L472 HydrophobicContact CG1-CD2 3.92Å; V426-L472 HydrophobicContact CG1-CG 4.05Å; V426-L472 HydrophobicContact CG2-CG 4.43Å; V468-L472 HydrophobicContact CG1-CD1 3.92Å; V468-L472 WeakPolarHBondContact O-CG 3.44Å; V468-L472 PolarHBondContact O-N 3.13Å; V469-L472 PolarHBondContact O-N 3.35Å; L472-S474 PolarHBondContact O-N 3.47Å; L472-F475 WeakPolarHBondContact O-CB 3.19Å; L472-F475 PolarHBondContact O-N 3.1Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.38Å
473K92.9Very high87.5Confident10 Ų1026 Ų264%0.04313%0.127CC..Hα-helixtrans-56.7-49.1175.8-76.7-174.3177.8177.60112.9M189 V469 V471 F475 I476 S477 F489 I492 E496M189-K473 HydrophobicContact SD-CB 4.1Å; V469-K473 HydrophobicContact CG1-CD 4.2Å; V469-K473 HydrophobicContact CG1-CG 4.48Å; V469-K473 WeakPolarHBondContact O-CG 3.42Å; V469-K473 PolarHBondContact O-N 3.35Å; V471-K473 VanDerWaalsContact C-N 3.29Å; V471-K473 PolarHBondContact O-N 3.44Å; K473-F475 VanDerWaalsContact C-N 3.29Å; K473-F475 PolarHBondContact O-N 2.85Å; K473-I476 PolarHBondContact O-N 3.47Å; K473-S477 WeakPolarHBondContact O-CB 3.26Å; K473-S477 PolarHBondContact O-N 3.44Å; K473-F489 HydrophobicContact CB-CE1 4.1Å; K473-I492 HydrophobicContact CD-CG2 4.31Å; K473-I492 HydrophobicContact CG-CG2 4.07Å; K473-E496 VanDerWaalsContact CE-CD 3.4Å; K473-E496 WeakPolarHBondContact CE-OE1 3.41Å; K473-E496 WeakPolarHBondContact CE-OE2 3.47Å; K473-E496 IonicContact NZ-OE1 3.92Å; K473-E496 PolarHBondContact NZ-OE1 3.27Å; K473-E496 IonicContact NZ-OE2 3.19Å; K473-E496 PolarHBondContact NZ-OE2 3.34Å
474S90.2Very high87Confident0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-65.1-35.3178.4-175.70000112.1E182 R185 P470 V471 L472 S478E182-S474 PolarHBondContact O-OG 3.17Å; R185-S474 PolarHBondContact NH2-O 3.4Å; P470-S474 WeakPolarHBondContact O-CB 3.46Å; P470-S474 PolarHBondContact O-N 3.3Å; V471-S474 PolarHBondContact O-N 2.93Å; V471-S474 VanDerWaalsContact O-N 3.1Å; L472-S474 PolarHBondContact O-N 3.47Å; S474-S478 PolarHBondContact O-N 2.88Å; S474-S478 VanDerWaalsContact O-N 3.11Å
475F88.6Confident86.7Confident12 Ų1224.1 Ų24.15%0.05312%0.121CC..Hα-helixtrans-66.6-50.6177.2-178.2-90000111.2I298 V302 R419 M422 I423 V471 L472 K473 S477 S478 L479I298-F475 HydrophobicContact CG2-CE1 4.37Å; V302-F475 HydrophobicContact CG1-CD1 4.13Å; V302-F475 HydrophobicContact CG2-CD1 3.99Å; V302-F475 HydrophobicContact CG2-CE1 3.78Å; R419-F475 HydrophobicContact CB-CE2 4.03Å; R419-F475 HydrophobicContact CG-CE2 4.31Å; M422-F475 HydrophobicContact CE-CB 3.74Å; M422-F475 HydrophobicContact SD-CB 3.91Å; M422-F475 HydrophobicContact SD-CD2 3.97Å; M422-F475 HydrophobicContact SD-CG 4.46Å; I423-F475 HydrophobicContact CD1-CE2 3.67Å; I423-F475 HydrophobicContact CD1-CZ 3.76Å; I423-F475 HydrophobicContact CG1-CD2 4.27Å; I423-F475 HydrophobicContact CG1-CE2 3.78Å; I423-F475 HydrophobicContact CG1-CZ 4.13Å; V471-F475 PolarHBondContact O-N 3.02Å; L472-F475 WeakPolarHBondContact O-CB 3.19Å; L472-F475 PolarHBondContact O-N 3.1Å; K473-F475 VanDerWaalsContact C-N 3.29Å; K473-F475 PolarHBondContact O-N 2.85Å; F475-S477 VanDerWaalsContact C-N 3.26Å; F475-S477 PolarHBondContact O-N 2.98Å; F475-S478 VanDerWaalsContact O-CB 3.28Å; F475-S478 WeakPolarHBondContact O-CB 3.06Å; F475-S478 PolarHBondContact O-N 2.85Å; F475-S478 PolarHBondContact O-OG 3.44Å; F475-L479 HydrophobicContact CD1-CD1 4.45Å; F475-L479 HydrophobicContact CE1-CD1 4.03Å
476I89.3Confident86.1Confident3 Ų322.7 Ų22.72%0.01512%0.117CC..Hα-helixtrans-59-43.9178.4-59.5168.7000109.6V302 L306 L472 K473 S478 L479 Y480 L488 I492V302-I476 HydrophobicContact CB-CD1 4.32Å; V302-I476 HydrophobicContact CB-CG1 3.9Å; V302-I476 HydrophobicContact CG1-CD1 3.74Å; V302-I476 HydrophobicContact CG1-CG1 3.32Å; L306-I476 HydrophobicContact CD2-CD1 4.23Å; L472-I476 WeakPolarHBondContact O-CG1 3.43Å; L472-I476 PolarHBondContact O-N 3.38Å; K473-I476 PolarHBondContact O-N 3.47Å; I476-S478 PolarHBondContact O-N 2.97Å; I476-L479 VanDerWaalsContact O-CB 3.31Å; I476-L479 WeakPolarHBondContact O-CB 3.34Å; I476-L479 PolarHBondContact O-N 3.4Å; I476-Y480 HydrophobicContact CG2-CE2 4.39Å; I476-L488 HydrophobicContact CG2-CD1 3.83Å; I476-L488 HydrophobicContact CG2-CD2 4.05Å; I476-L488 HydrophobicContact CG2-CG 4.3Å; I476-I492 HydrophobicContact CB-CD1 4.32Å; I476-I492 HydrophobicContact CD1-CD1 4.21Å; I476-I492 HydrophobicContact CD1-CG1 4.39Å; I476-I492 HydrophobicContact CG2-CD1 4.3Å
477S86.5Confident85.6Confident0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-67.4-17.5179.7-176.60000114.1R185 K473 F475 L479 Q485 F489R185-S477 VanDerWaalsContact CZ-CB 3.42Å; R185-S477 PolarHBondContact NH1-OG 3.47Å; R185-S477 PolarHBondContact NH2-OG 3.42Å; R185-S477 VanDerWaalsContact NH2-OG 3.12Å; K473-S477 WeakPolarHBondContact O-CB 3.26Å; K473-S477 PolarHBondContact O-N 3.44Å; F475-S477 VanDerWaalsContact C-N 3.26Å; F475-S477 PolarHBondContact O-N 2.98Å; S477-L479 VanDerWaalsContact C-N 3.25Å; S477-L479 PolarHBondContact O-N 3.28Å; S477-Q485 PolarHBondContact O-NE2 2.87Å; S477-F489 WeakPolarHBondContact OG-CE2 3.39Å
478S82.3Confident85.6Confident3 Ų322.7 Ų22.72%0.02112%0.116CC..Hα-helixtrans-71.2-19.517080.60000113.9Q178 E182 R419 S474 F475 I476 Y480Q178-S478 PolarHBondContact NE2-O 3.2Å; E182-S478 WeakPolarHBondContact OE1-CA 3.29Å; E182-S478 WeakPolarHBondContact OE1-CB 3.38Å; E182-S478 VanDerWaalsContact OE2-CB 3.24Å; E182-S478 WeakPolarHBondContact OE2-CB 3.5Å; R419-S478 PolarHBondContact NH2-O 3.02Å; S474-S478 PolarHBondContact O-N 2.88Å; S474-S478 VanDerWaalsContact O-N 3.11Å; F475-S478 VanDerWaalsContact O-CB 3.28Å; F475-S478 WeakPolarHBondContact O-CB 3.06Å; F475-S478 PolarHBondContact O-N 2.85Å; F475-S478 PolarHBondContact O-OG 3.44Å; I476-S478 PolarHBondContact O-N 2.97Å; S478-Y480 VanDerWaalsContact C-N 3.31Å
479L83.6Confident85.3Confident52 Ų5222.6 Ų22.627%0.27212%0.116SC..THydrogen-bonded Turntrans-85-8.7-178-55.1177.9000112.5I298 T299 F475 I476 S477I298-L479 HydrophobicContact CG2-CD1 4.1Å; T299-L479 HydrophobicContact CG2-CB 4.14Å; T299-L479 HydrophobicContact CG2-CD1 3.6Å; F475-L479 HydrophobicContact CD1-CD1 4.45Å; F475-L479 HydrophobicContact CE1-CD1 4.03Å; I476-L479 VanDerWaalsContact O-CB 3.31Å; I476-L479 WeakPolarHBondContact O-CB 3.34Å; I476-L479 PolarHBondContact O-N 3.4Å; S477-L479 VanDerWaalsContact C-N 3.25Å; S477-L479 PolarHBondContact O-N 3.28Å
480Y83.1Confident84.9Confident26 Ų2622.6 Ų22.610%0.10212%0.117CC..SBendtrans-125.7143.8-175.7-69.4-94.6000111.9L291 T299 I476 S478 L484 Q485 L488L291-Y480 HydrophobicContact CD1-CD1 4.46Å; L291-Y480 HydrophobicContact CD1-CE1 4.28Å; L291-Y480 HydrophobicContact CD2-CE1 4.26Å; L291-Y480 HydrophobicContact CG-CE1 4Å; T299-Y480 HydrophobicContact CG2-CE2 3.48Å; T299-Y480 VanDerWaalsContact CG2-CE2 3.48Å; T299-Y480 PolarHBondContact OG1-OH 3.09Å; I476-Y480 HydrophobicContact CG2-CE2 4.39Å; S478-Y480 VanDerWaalsContact C-N 3.31Å; Y480-L484 HydrophobicContact CD1-CB 4.44Å; Y480-L484 HydrophobicContact CD1-CD1 4.22Å; Y480-Q485 PolarHBondContact O-NE2 3.47Å; Y480-L488 HydrophobicContact CD2-CD1 3.88Å; Y480-L488 HydrophobicContact CD2-CD2 3.66Å; Y480-L488 HydrophobicContact CD2-CG 4.37Å; Y480-L488 HydrophobicContact CE2-CD1 3.7Å; Y480-L488 HydrophobicContact CE2-CD2 4.32Å; Y480-L488 HydrophobicContact CG-CD2 4.13Å
481T75.7Confident84.7Confident94 Ų9423 Ų2358%0.57712%0.119SC*.  trans-61.7150172.8-49.80000111.5K483 L484 Q485T481-K483 PolarHBondContact O-N 3.3Å; T481-K483 VanDerWaalsContact O-N 3.09Å; T481-L484 PolarHBondContact O-N 3.32Å; T481-Q485 WeakPolarHBondContact O-CG 3.29Å; T481-Q485 PolarHBondContact O-N 2.6Å
482S72.2Confident84.7Confident12 Ų1223 Ų238%0.08412%0.119CC..Hα-helixtrans-44.4-41.617945.40000114.1K162 L484 Q485K162-S482 WeakPolarHBondContact CE-O 3.02Å; S482-L484 VanDerWaalsContact C-N 3.3Å; S482-L484 PolarHBondContact O-N 3.1Å; S482-Q485 WeakPolarHBondContact O-CB 3.48Å; S482-Q485 PolarHBondContact O-N 3.4Å
483K74.3Confident84.6Confident151 Ų15123.7 Ų23.766%0.65713%0.125SC*.Hα-helixtrans-54.6-40.3178.6-172.1172.5-177.6173.10113.8T481T481-K483 PolarHBondContact O-N 3.3Å; T481-K483 VanDerWaalsContact O-N 3.09Å
484L81.6Confident84.4Confident67 Ų6724.9 Ų24.935%0.35113%0.132SC..Hα-helixtrans-92.4-5.1-177.2-65.9176.9000113.4L291 Y480 T481 S482 S486 S487 L488L291-L484 HydrophobicContact CD1-CB 4.24Å; Y480-L484 HydrophobicContact CD1-CB 4.44Å; Y480-L484 HydrophobicContact CD1-CD1 4.22Å; T481-L484 PolarHBondContact O-N 3.32Å; S482-L484 VanDerWaalsContact C-N 3.3Å; S482-L484 PolarHBondContact O-N 3.1Å; L484-S486 PolarHBondContact O-N 3.09Å; L484-S487 PolarHBondContact O-N 3.07Å; L484-L488 WeakPolarHBondContact O-CB 3.28Å; L484-L488 PolarHBondContact O-N 2.65Å
485Q82.2Confident84.6Confident8 Ų825.8 Ų25.84%0.03714%0.137CC..Hα-helixtrans-65.2-38.3-172.3-73.2179.1-1.500113S477 Y480 T481 S482 L488 F489S477-Q485 PolarHBondContact O-NE2 2.87Å; Y480-Q485 PolarHBondContact O-NE2 3.47Å; T481-Q485 WeakPolarHBondContact O-CG 3.29Å; T481-Q485 PolarHBondContact O-N 2.6Å; S482-Q485 WeakPolarHBondContact O-CB 3.48Å; S482-Q485 PolarHBondContact O-N 3.4Å; Q485-L488 WeakPolarHBondContact O-CB 3.09Å; Q485-L488 PolarHBondContact O-N 3.07Å; Q485-F489 WeakPolarHBondContact O-CD2 3.35Å; Q485-F489 PolarHBondContact O-N 3.4Å
486S78.9Confident84.8Confident9 Ų925.2 Ų25.26%0.06314%0.135CC..Hα-helixtrans-63-46.1177.437.60000111.8K162 L484 L488 F489 S490K162-S486 PolarHBondContact NZ-OG 3.45Å; L484-S486 PolarHBondContact O-N 3.09Å; S486-L488 VanDerWaalsContact C-N 3.32Å; S486-L488 PolarHBondContact O-N 3.11Å; S486-F489 PolarHBondContact O-N 3.42Å; S486-S490 PolarHBondContact O-N 3.4Å; S486-S490 VanDerWaalsContact O-N 3.13Å; S486-S490 PolarHBondContact O-OG 3.41Å
487S81.5Confident85Confident1 Ų125.1 Ų25.11%0.00713%0.134CC..Hα-helixtrans-66.3-36.5178-54.40000111.2K284 E287 L484 S490 V491K284-S487 VanDerWaalsContact CE-OG 3.24Å; K284-S487 WeakPolarHBondContact CE-OG 3.28Å; E287-S487 PolarHBondContact OE2-OG 3Å; L484-S487 PolarHBondContact O-N 3.07Å; S487-S490 WeakPolarHBondContact O-CB 3.27Å; S487-S490 PolarHBondContact O-N 3.19Å; S487-V491 WeakPolarHBondContact O-CG2 3.48Å; S487-V491 PolarHBondContact O-N 3.23Å
488L87.9Confident85.3Confident6 Ų628.1 Ų28.13%0.03115%0.15CC..Hα-helixtrans-60.2-45.9173.117972.5000112.3L291 I476 Y480 L484 Q485 S486 S490 V491 I492L291-L488 HydrophobicContact CD1-CB 4.07Å; L291-L488 HydrophobicContact CD1-CD1 4.44Å; L291-L488 HydrophobicContact CD2-CD1 3.89Å; I476-L488 HydrophobicContact CG2-CD1 3.83Å; I476-L488 HydrophobicContact CG2-CD2 4.05Å; I476-L488 HydrophobicContact CG2-CG 4.3Å; Y480-L488 HydrophobicContact CD2-CD1 3.88Å; Y480-L488 HydrophobicContact CD2-CD2 3.66Å; Y480-L488 HydrophobicContact CD2-CG 4.37Å; Y480-L488 HydrophobicContact CE2-CD1 3.7Å; Y480-L488 HydrophobicContact CE2-CD2 4.32Å; Y480-L488 HydrophobicContact CG-CD2 4.13Å; L484-L488 WeakPolarHBondContact O-CB 3.28Å; L484-L488 PolarHBondContact O-N 2.65Å; Q485-L488 WeakPolarHBondContact O-CB 3.09Å; Q485-L488 PolarHBondContact O-N 3.07Å; S486-L488 VanDerWaalsContact C-N 3.32Å; S486-L488 PolarHBondContact O-N 3.11Å; L488-S490 VanDerWaalsContact C-N 3.29Å; L488-S490 PolarHBondContact O-N 2.93Å; L488-V491 PolarHBondContact O-N 2.85Å; L488-V491 VanDerWaalsContact O-N 3.17Å; L488-I492 HydrophobicContact CG-CD1 4.08Å; L488-I492 WeakPolarHBondContact O-CG1 3.38Å; L488-I492 PolarHBondContact O-N 2.96Å
489F88.8Confident85.9Confident1 Ų128 Ų280%0.00415%0.149CC..Hα-helixtrans-65.9-32.5178-83.2-70.7000112.6V155 A158 M189 K473 S477 Q485 S486 I492 A493V155-F489 HydrophobicContact CG2-CB 3.89Å; A158-F489 HydrophobicContact CB-CD2 3.45Å; A158-F489 VanDerWaalsContact CB-CD2 3.45Å; A158-F489 HydrophobicContact CB-CE2 3.68Å; A158-F489 HydrophobicContact CB-CG 4.43Å; M189-F489 HydrophobicContact CE-CD1 4.09Å; M189-F489 HydrophobicContact CE-CE1 3.28Å; M189-F489 HydrophobicContact CE-CE2 4.21Å; M189-F489 HydrophobicContact CE-CZ 3.38Å; M189-F489 HydrophobicContact SD-CE1 4.1Å; M189-F489 HydrophobicContact SD-CZ 4.29Å; K473-F489 HydrophobicContact CB-CE1 4.1Å; S477-F489 WeakPolarHBondContact OG-CE2 3.39Å; Q485-F489 WeakPolarHBondContact O-CD2 3.35Å; Q485-F489 PolarHBondContact O-N 3.4Å; S486-F489 PolarHBondContact O-N 3.42Å; F489-I492 HydrophobicContact CD1-CD1 4.18Å; F489-I492 HydrophobicContact CE1-CD1 4.3Å; F489-I492 PolarHBondContact O-N 3Å; F489-A493 WeakPolarHBondContact O-CB 3.49Å; F489-A493 PolarHBondContact O-N 3.07Å
490S84.7Confident86.4Confident13 Ų1326.9 Ų26.99%0.09114%0.144CC..Hα-helixtrans-64.1-41.8170.3-55.70000112S486 S487 L488 A493 L494S486-S490 PolarHBondContact O-N 3.4Å; S486-S490 VanDerWaalsContact O-N 3.13Å; S486-S490 PolarHBondContact O-OG 3.41Å; S487-S490 WeakPolarHBondContact O-CB 3.27Å; S487-S490 PolarHBondContact O-N 3.19Å; L488-S490 VanDerWaalsContact C-N 3.29Å; L488-S490 PolarHBondContact O-N 2.93Å; S490-A493 PolarHBondContact O-N 3.32Å; S490-L494 WeakPolarHBondContact O-CB 3.48Å; S490-L494 PolarHBondContact O-N 2.81Å
491V88.5Confident86.8Confident11 Ų1127.5 Ų27.57%0.06715%0.149CC..Hα-helixtrans-64.8-41.9175.4171.80000111.1M288 L291 V292 L303 S487 L488 L494 C495M288-V491 HydrophobicContact CB-CG2 3.93Å; M288-V491 HydrophobicContact CE-CB 4.48Å; M288-V491 HydrophobicContact CE-CG2 3.72Å; M288-V491 HydrophobicContact CG-CG2 4.06Å; L291-V491 HydrophobicContact CD2-CG2 4.46Å; V292-V491 HydrophobicContact CG2-CG1 3.8Å; V292-V491 HydrophobicContact CG2-CG2 4.13Å; L303-V491 HydrophobicContact CD2-CG1 4.37Å; S487-V491 WeakPolarHBondContact O-CG2 3.48Å; S487-V491 PolarHBondContact O-N 3.23Å; L488-V491 PolarHBondContact O-N 2.85Å; L488-V491 VanDerWaalsContact O-N 3.17Å; V491-L494 PolarHBondContact O-N 3.31Å; V491-C495 WeakPolarHBondContact O-CB 3.44Å; V491-C495 PolarHBondContact O-N 3.31Å
492I92.3Very high87.7Confident2 Ų227.1 Ų27.11%0.0114%0.142CC..Hα-helixtrans-59.4-49.2174.5-73168000110.3L303 L306 K473 I476 L488 F489 L494 C495 E496L303-I492 HydrophobicContact CD1-CG1 4.27Å; L306-I492 HydrophobicContact CD2-CG1 4.49Å; L306-I492 HydrophobicContact CD2-CG2 3.61Å; K473-I492 HydrophobicContact CD-CG2 4.31Å; K473-I492 HydrophobicContact CG-CG2 4.07Å; I476-I492 HydrophobicContact CB-CD1 4.32Å; I476-I492 HydrophobicContact CD1-CD1 4.21Å; I476-I492 HydrophobicContact CD1-CG1 4.39Å; I476-I492 HydrophobicContact CG2-CD1 4.3Å; L488-I492 HydrophobicContact CG-CD1 4.08Å; L488-I492 WeakPolarHBondContact O-CG1 3.38Å; L488-I492 PolarHBondContact O-N 2.96Å; F489-I492 HydrophobicContact CD1-CD1 4.18Å; F489-I492 HydrophobicContact CE1-CD1 4.3Å; F489-I492 PolarHBondContact O-N 3Å; I492-L494 VanDerWaalsContact C-N 3.31Å; I492-L494 PolarHBondContact O-N 3.1Å; I492-C495 WeakPolarHBondContact O-CB 3.39Å; I492-C495 PolarHBondContact O-N 3.25Å; I492-C495 VanDerWaalsContact O-N 3.11Å; I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.44Å; I492-E496 PolarHBondContact O-N 3.41Å
493A90.8Very high88.6Confident17 Ų1726.6 Ų26.614%0.1414%0.138CC..Hα-helixtrans-60.1-42.2179.200000111.6F489 S490 C495 E496 Y497F489-A493 WeakPolarHBondContact O-CB 3.49Å; F489-A493 PolarHBondContact O-N 3.07Å; S490-A493 PolarHBondContact O-N 3.32Å; A493-C495 VanDerWaalsContact C-N 3.32Å; A493-C495 PolarHBondContact O-N 3.48Å; A493-E496 PolarHBondContact O-N 3.11Å; A493-Y497 VanDerWaalsContact O-CB 3.29Å; A493-Y497 WeakPolarHBondContact O-CB 3.35Å; A493-Y497 PolarHBondContact O-N 3.01Å
494L89.9Confident89.3Confident35 Ų3519.7 Ų19.718%0.18311%0.108CC..Hα-helixtrans-61.4-40174.6-173.570.7000112.1L86 F90 M288 S490 V491 I492 Y497 L498L86-L494 HydrophobicContact CD1-CD1 3.46Å; L86-L494 VanDerWaalsContact CD1-CD1 3.46Å; F90-L494 HydrophobicContact CE1-CD1 4.33Å; F90-L494 HydrophobicContact CE1-CD2 3.94Å; F90-L494 HydrophobicContact CE2-CD1 4.18Å; F90-L494 HydrophobicContact CZ-CD1 3.82Å; F90-L494 HydrophobicContact CZ-CD2 3.8Å; F90-L494 HydrophobicContact CZ-CG 4.49Å; M288-L494 HydrophobicContact CE-CD2 4.49Å; S490-L494 WeakPolarHBondContact O-CB 3.48Å; S490-L494 PolarHBondContact O-N 2.81Å; V491-L494 PolarHBondContact O-N 3.31Å; I492-L494 VanDerWaalsContact C-N 3.31Å; I492-L494 PolarHBondContact O-N 3.1Å; L494-Y497 WeakPolarHBondContact O-CB 3.5Å; L494-Y497 PolarHBondContact O-N 3.45Å; L494-L498 WeakPolarHBondContact O-CG 3.13Å; L494-L498 PolarHBondContact O-N 3.36Å
495C93.1Very high89.6Confident18 Ų1818.2 Ų18.212%0.12211%0.109CC..Hα-helixtrans-65.2-45.8177-174.80000111.9L303 V491 I492 A493 Y497 L498 S499L303-C495 HydrophobicContact CD1-CB 3.77Å; L303-C495 HydrophobicContact CG-CB 4.31Å; V491-C495 WeakPolarHBondContact O-CB 3.44Å; V491-C495 PolarHBondContact O-N 3.31Å; I492-C495 WeakPolarHBondContact O-CB 3.39Å; I492-C495 PolarHBondContact O-N 3.25Å; I492-C495 VanDerWaalsContact O-N 3.11Å; A493-C495 VanDerWaalsContact C-N 3.32Å; A493-C495 PolarHBondContact O-N 3.48Å; C495-Y497 PolarHBondContact O-N 3.09Å; C495-L498 PolarHBondContact O-N 2.98Å; C495-S499 PolarHBondContact O-N 3.08Å
496E94Very high90Very high0 Ų019.8 Ų19.80%012%0.121CC..Hα-helixtrans-59.1-39.3172.4-64.3-175.613900110.7L147 L306 T310 V469 K473 I492 A493 S499 L500L147-E496 HydrophobicContact CD1-CB 4.27Å; L147-E496 HydrophobicContact CD2-CB 4.49Å; L306-E496 HydrophobicContact CD2-CG 4.5Å; T310-E496 HydrophobicContact CG2-CG 4.05Å; V469-E496 WeakPolarHBondContact CG1-OE1 3.2Å; K473-E496 VanDerWaalsContact CE-CD 3.4Å; K473-E496 WeakPolarHBondContact CE-OE1 3.41Å; K473-E496 WeakPolarHBondContact CE-OE2 3.47Å; K473-E496 IonicContact NZ-OE1 3.92Å; K473-E496 PolarHBondContact NZ-OE1 3.27Å; K473-E496 IonicContact NZ-OE2 3.19Å; K473-E496 PolarHBondContact NZ-OE2 3.34Å; I492-E496 HydrophobicContact CG2-CG 4.46Å; I492-E496 WeakPolarHBondContact O-CG 3.44Å; I492-E496 PolarHBondContact O-N 3.41Å; A493-E496 PolarHBondContact O-N 3.11Å; E496-S499 WeakPolarHBondContact O-CB 3.36Å; E496-S499 PolarHBondContact O-N 3.32Å; E496-S499 PolarHBondContact O-OG 3.06Å; E496-L500 PolarHBondContact O-N 3.47Å
497Y92.6Very high90.6Very high1 Ų119.5 Ų19.50%0.00412%0.119CC..Hα-helixtrans-63.8-46.4178.7-156.9-78.8000113.1L82 G85 L86 G144 L147 T148 A493 L494 C495 S499 L500 L501L82-Y497 VanDerWaalsContact CA-OH 3.25Å; L82-Y497 WeakPolarHBondContact CA-OH 3.35Å; L82-Y497 HydrophobicContact CB-CE1 4.11Å; L82-Y497 HydrophobicContact CD2-CE1 3.91Å; L82-Y497 HydrophobicContact CD2-CE2 3.94Å; L82-Y497 WeakPolarHBondContact CD2-OH 3.4Å; L82-Y497 WeakPolarHBondContact O-CE1 3.38Å; L82-Y497 PolarHBondContact O-OH 2.87Å; G85-Y497 WeakPolarHBondContact CA-OH 3.35Å; L86-Y497 HydrophobicContact CB-CD1 4.18Å; L86-Y497 HydrophobicContact CB-CE1 3.84Å; L86-Y497 HydrophobicContact CD1-CD1 3.77Å; L86-Y497 HydrophobicContact CD1-CE1 4.3Å; L86-Y497 PolarHBondContact N-OH 2.96Å; G144-Y497 WeakPolarHBondContact CA-OH 3.46Å; G144-Y497 WeakPolarHBondContact O-CE2 3.48Å; L147-Y497 HydrophobicContact CB-CD2 4.27Å; L147-Y497 VanDerWaalsContact CD2-CA 3.46Å; L147-Y497 HydrophobicContact CD2-CD2 3.75Å; L147-Y497 HydrophobicContact CD2-CG 4.16Å; L147-Y497 HydrophobicContact CG-CD2 4.13Å; T148-Y497 HydrophobicContact CG2-CD2 3.74Å; T148-Y497 HydrophobicContact CG2-CE2 3.62Å; A493-Y497 VanDerWaalsContact O-CB 3.29Å; A493-Y497 WeakPolarHBondContact O-CB 3.35Å; A493-Y497 PolarHBondContact O-N 3.01Å; L494-Y497 WeakPolarHBondContact O-CB 3.5Å; L494-Y497 PolarHBondContact O-N 3.45Å; C495-Y497 PolarHBondContact O-N 3.09Å; Y497-S499 VanDerWaalsContact C-N 3.29Å; Y497-S499 PolarHBondContact O-N 2.77Å; Y497-L500 PolarHBondContact O-N 2.95Å; Y497-L501 PolarHBondContact O-N 3.31Å
498L93.3Very high91Very high64 Ų6419.5 Ų19.534%0.33512%0.119SC..Hα-helixtrans-62.3-37.8173.7-72171000111.8L86 F307 L494 C495 L500 L501 I502L86-L498 HydrophobicContact CD1-CD2 3.99Å; L86-L498 HydrophobicContact CD1-CG 4.32Å; L86-L498 HydrophobicContact CD2-CD2 3.95Å; F307-L498 HydrophobicContact CE2-CB 4.11Å; L494-L498 WeakPolarHBondContact O-CG 3.13Å; L494-L498 PolarHBondContact O-N 3.36Å; C495-L498 PolarHBondContact O-N 2.98Å; L498-L500 VanDerWaalsContact C-N 3.32Å; L498-L500 PolarHBondContact O-N 2.64Å; L498-L501 PolarHBondContact O-N 2.82Å; L498-I502 WeakPolarHBondContact O-CG1 3.21Å; L498-I502 PolarHBondContact O-N 3.07Å
499S95.1Very high91Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-64-39.217781.40000111.9F307 T310 L311 C495 E496 Y497 G503F307-S499 VanDerWaalsContact CE2-CA 3.42Å; F307-S499 WeakPolarHBondContact O-CB 3.31Å; T310-S499 VanDerWaalsContact CB-OG 3.31Å; T310-S499 WeakPolarHBondContact CB-OG 3.46Å; T310-S499 WeakPolarHBondContact OG1-CB 3.33Å; T310-S499 PolarHBondContact OG1-OG 2.85Å; L311-S499 WeakPolarHBondContact CD1-O 3.37Å; C495-S499 PolarHBondContact O-N 3.08Å; E496-S499 WeakPolarHBondContact O-CB 3.36Å; E496-S499 PolarHBondContact O-N 3.32Å; E496-S499 PolarHBondContact O-OG 3.06Å; Y497-S499 VanDerWaalsContact C-N 3.29Å; Y497-S499 PolarHBondContact O-N 2.77Å; S499-G503 PolarHBondContact O-N 3.44Å
500L93.5Very high91.1Very high29 Ų2928.2 Ų28.215%0.15216%0.155CC..Hα-helixtrans-68.2-45.8176.5-171.571.1000110.6L82 L147 N315 E496 Y497 L498 I502 G503 I504L82-L500 HydrophobicContact CD1-CB 4.39Å; L82-L500 HydrophobicContact CD1-CD2 3.98Å; L82-L500 HydrophobicContact CD1-CG 3.85Å; L82-L500 HydrophobicContact CD2-CD2 3.78Å; L82-L500 HydrophobicContact CD2-CG 4.49Å; L147-L500 HydrophobicContact CD2-CB 3.98Å; L147-L500 HydrophobicContact CD2-CD2 3.73Å; L147-L500 HydrophobicContact CD2-CG 4.49Å; N315-L500 WeakPolarHBondContact OD1-CD1 3.48Å; N315-L500 PolarHBondContact OD1-O 3.17Å; E496-L500 PolarHBondContact O-N 3.47Å; Y497-L500 PolarHBondContact O-N 2.95Å; L498-L500 VanDerWaalsContact C-N 3.32Å; L498-L500 PolarHBondContact O-N 2.64Å; L500-I502 VanDerWaalsContact C-N 3.34Å; L500-I502 PolarHBondContact O-N 3.25Å; L500-G503 PolarHBondContact O-N 3.4Å; L500-I504 WeakPolarHBondContact O-CB 3.49Å; L500-I504 PolarHBondContact O-N 2.83Å
501L92.7Very high91.3Very high39 Ų3927.8 Ų27.820%0.20415%0.152CC..Hα-helixtrans-58.5-43.2178.7178.364.2000112.5L82 I83 L86 Y497 L498L82-L501 HydrophobicContact CB-CB 4.41Å; L82-L501 HydrophobicContact CB-CD1 3.64Å; L82-L501 HydrophobicContact CD1-CB 4.32Å; L82-L501 HydrophobicContact CD1-CD1 4.42Å; I83-L501 HydrophobicContact CG1-CD1 3.81Å; L86-L501 HydrophobicContact CD2-CD2 4.43Å; Y497-L501 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 2.82Å
502I93.6Very high91.2Very high86 Ų8627.8 Ų27.844%0.44115%0.153SC..Hα-helixtrans-71.7-44.2178.3-69.7163.3000110.8F307 L311 L498 L500 I504 S506F307-I502 HydrophobicContact CE2-CD1 4.3Å; F307-I502 HydrophobicContact CZ-CD1 3.76Å; L311-I502 HydrophobicContact CD1-CB 4.26Å; L311-I502 HydrophobicContact CD1-CG2 4.08Å; L498-I502 WeakPolarHBondContact O-CG1 3.21Å; L498-I502 PolarHBondContact O-N 3.07Å; L500-I502 VanDerWaalsContact C-N 3.34Å; L500-I502 PolarHBondContact O-N 3.25Å; I502-I504 PolarHBondContact O-N 3.16Å; I502-S506 WeakPolarHBondContact O-CB 3.43Å; I502-S506 PolarHBondContact O-N 3.37Å; I502-S506 PolarHBondContact O-OG 3.12Å
503G92.7Very high91Very high0 Ų030.2 Ų30.20%017%0.173CC..Hα-helixtrans-69.4-32.4-175.400000113.9L311 N315 S499 L500 L507 P508L311-G503 VanDerWaalsContact CD1-N 3.31Å; N315-G503 VanDerWaalsContact CG-C 3.48Å; N315-G503 WeakPolarHBondContact ND2-CA 3.24Å; S499-G503 PolarHBondContact O-N 3.44Å; L500-G503 PolarHBondContact O-N 3.4Å; G503-L507 WeakPolarHBondContact O-CB 3.42Å; G503-L507 PolarHBondContact O-N 2.84Å; G503-P508 WeakPolarHBondContact O-CD 3.22Å
504I88.2Confident91Very high6 Ų630.2 Ų30.23%0.03117%0.172CC..Hα-helixtrans-72.8-29.7-178.6-154.7137.7000113.1P75 S78 L82 N315 Q318 L500 I502 P508P75-I504 WeakPolarHBondContact CB-O 3.42Å; P75-I504 WeakPolarHBondContact CG-O 3.32Å; S78-I504 VanDerWaalsContact CB-CG1 3.44Å; S78-I504 WeakPolarHBondContact OG-CD1 3.27Å; L82-I504 HydrophobicContact CD1-CG2 3.87Å; N315-I504 WeakPolarHBondContact OD1-CA 3.46Å; N315-I504 PolarHBondContact OD1-N 2.6Å; N315-I504 VanDerWaalsContact OD1-N 3.1Å; Q318-I504 HydrophobicContact CG-CD1 3.75Å; Q318-I504 HydrophobicContact CG-CG1 4.09Å; L500-I504 WeakPolarHBondContact O-CB 3.49Å; L500-I504 PolarHBondContact O-N 2.83Å; I502-I504 PolarHBondContact O-N 3.16Å; I504-P508 WeakPolarHBondContact O-CD 3.35Å; I504-P508 VanDerWaalsContact O-CG 3.29Å; I504-P508 WeakPolarHBondContact O-CG 3.16Å
505G86.9Confident90.7Very high36 Ų3629.7 Ų29.737%0.37117%0.17SC..Hα-helixtrans-80.6-45.7172.600000112Y509G505-Y509 WeakPolarHBondContact O-CB 3.39Å
506S91.4Very high90.2Very high42 Ų4234 Ų3429%0.29420%0.196SC..Hα-helixtrans-76.7-49.4-172.157.40000113.9I502 Y509 I510I502-S506 WeakPolarHBondContact O-CB 3.43Å; I502-S506 PolarHBondContact O-N 3.37Å; I502-S506 PolarHBondContact O-OG 3.12Å; S506-Y509 PolarHBondContact O-N 3.26Å; S506-I510 WeakPolarHBondContact O-CD1 3.47Å; S506-I510 WeakPolarHBondContact O-CG1 3.42Å; S506-I510 PolarHBondContact O-N 3.46Å
507L91.9Very high89.8Confident2 Ų241.1 Ų41.11%0.0123%0.227CC..Hα-helixtrans-71-47.8-170.3-61.1174.5000113.2N315 Y319 G503 Y509 I510 Y511 V522 V525N315-L507 HydrophobicContact CB-CD1 3.98Å; Y319-L507 HydrophobicContact CD1-CB 4.21Å; Y319-L507 HydrophobicContact CE1-CB 3.81Å; Y319-L507 HydrophobicContact CE1-CD1 4.11Å; G503-L507 WeakPolarHBondContact O-CB 3.42Å; G503-L507 PolarHBondContact O-N 2.84Å; L507-Y509 VanDerWaalsContact C-N 3.29Å; L507-Y509 PolarHBondContact O-N 3.27Å; L507-I510 PolarHBondContact O-N 3.13Å; L507-Y511 PolarHBondContact O-N 3.44Å; L507-V522 HydrophobicContact CB-CG1 3.94Å; L507-V522 HydrophobicContact CD2-CG1 4.16Å; L507-V522 WeakPolarHBondContact O-CG2 3.44Å; L507-V525 HydrophobicContact CD2-CG1 4.35Å
508P88.8Confident89.6Confident1 Ų142.3 Ų42.31%0.00624%0.235CC..Hα-helixtrans-64.5-32173.9-22.235.4000113.1P75 Q318 Y319 G503 I504 Y511 A512P75-P508 HydrophobicContact CG-CB 3.73Å; P75-P508 HydrophobicContact CG-CG 4.08Å; Q318-P508 HydrophobicContact CB-CG 4.05Å; Y319-P508 HydrophobicContact CD1-CG 4.25Å; G503-P508 WeakPolarHBondContact O-CD 3.22Å; I504-P508 WeakPolarHBondContact O-CD 3.35Å; I504-P508 VanDerWaalsContact O-CG 3.29Å; I504-P508 WeakPolarHBondContact O-CG 3.16Å; P508-Y511 WeakPolarHBondContact O-CB 3.09Å; P508-Y511 PolarHBondContact O-N 2.81Å; P508-A512 PolarHBondContact O-N 2.92Å
509Y88.4Confident89.2Confident142 Ų14239.9 Ų39.956%0.55722%0.223SC*.Hα-helixtrans-65.9-44.2174.2179.5-95.1000111.6G505 S506 L507 Y511 A512 A513G505-Y509 WeakPolarHBondContact O-CB 3.39Å; S506-Y509 PolarHBondContact O-N 3.26Å; L507-Y509 VanDerWaalsContact C-N 3.29Å; L507-Y509 PolarHBondContact O-N 3.27Å; Y509-Y511 PolarHBondContact O-N 3.33Å; Y509-A512 PolarHBondContact O-N 2.63Å; Y509-A513 WeakPolarHBondContact O-CB 3.34Å; Y509-A513 PolarHBondContact O-N 3.06Å
510I91Very high89Confident48 Ų4839.9 Ų39.925%0.24622%0.223CC..Hα-helixtrans-59.3-39.7172.9-64.1162.1000109.4S506 L507 A513 T514 V522 V525S506-I510 WeakPolarHBondContact O-CD1 3.47Å; S506-I510 WeakPolarHBondContact O-CG1 3.42Å; S506-I510 PolarHBondContact O-N 3.46Å; L507-I510 PolarHBondContact O-N 3.13Å; I510-A513 PolarHBondContact O-N 2.76Å; I510-T514 HydrophobicContact CG2-CG2 4.05Å; I510-T514 VanDerWaalsContact O-CB 3.31Å; I510-T514 WeakPolarHBondContact O-CB 3.46Å; I510-T514 WeakPolarHBondContact O-CG2 3.46Å; I510-T514 PolarHBondContact O-N 3.47Å; I510-T514 PolarHBondContact O-OG1 3.22Å; I510-V522 HydrophobicContact CB-CG2 4.04Å; I510-V522 HydrophobicContact CG2-CG2 3.85Å; I510-V525 HydrophobicContact CD1-CG1 4.22Å; I510-V525 HydrophobicContact CG2-CG2 4.35Å
511Y89.4Confident89Confident4 Ų439.2 Ų39.22%0.01622%0.222CC..Hα-helixtrans-58.3-55.8175.4-178.9-104.1000110.8Q67 L322 Y323 L507 P508 Y509 A513 T514 V515 V522Q67-Y511 PolarHBondContact OE1-OH 2.81Å; L322-Y511 HydrophobicContact CB-CD1 4.49Å; L322-Y511 HydrophobicContact CB-CE1 3.73Å; L322-Y511 HydrophobicContact CD1-CD1 4.5Å; L322-Y511 HydrophobicContact CD1-CE1 4.35Å; L322-Y511 PolarHBondContact O-OH 3.02Å; Y323-Y511 WeakPolarHBondContact CA-OH 3.38Å; Y323-Y511 HydrophobicContact CD2-CE2 4.15Å; Y323-Y511 PolarHBondContact N-OH 2.72Å; L507-Y511 PolarHBondContact O-N 3.44Å; P508-Y511 WeakPolarHBondContact O-CB 3.09Å; P508-Y511 PolarHBondContact O-N 2.81Å; Y509-Y511 PolarHBondContact O-N 3.33Å; Y511-A513 PolarHBondContact O-N 3.2Å; Y511-T514 PolarHBondContact O-N 3.4Å; Y511-T514 PolarHBondContact O-OG1 3.32Å; Y511-V515 HydrophobicContact CE1-CB 4.4Å; Y511-V515 HydrophobicContact CE1-CG2 4.16Å; Y511-V515 HydrophobicContact CE2-CB 4.5Å; Y511-V515 HydrophobicContact CE2-CG2 4.19Å; Y511-V515 WeakPolarHBondContact O-CB 3.37Å; Y511-V515 PolarHBondContact O-N 3.34Å; Y511-V522 HydrophobicContact CD2-CG2 4.24Å; Y511-V522 HydrophobicContact CG-CG2 4.39Å
512A86.7Confident89Confident11 Ų1137.3 Ų37.39%0.09121%0.212CC..Hα-helixtrans-58-35.9-179.300000113A71 P508 Y509A71-A512 HydrophobicContact CB-CB 3.89Å; P508-A512 PolarHBondContact O-N 2.92Å; Y509-A512 PolarHBondContact O-N 2.63Å
513A88.1Confident89.2Confident53 Ų5333.2 Ų33.244%0.43819%0.191SC..Hα-helixtrans-76.8-23.1178.600000113.9Y509 I510 Y511Y509-A513 WeakPolarHBondContact O-CB 3.34Å; Y509-A513 PolarHBondContact O-N 3.06Å; I510-A513 PolarHBondContact O-N 2.76Å; Y511-A513 PolarHBondContact O-N 3.2Å
514T89.9Confident89.3Confident18 Ų1836.5 Ų36.511%0.1121%0.206CC..Hα-helixtrans-111.2-15.5-171.958.20000114.4I510 Y511 T516 F517 C518 A521I510-T514 HydrophobicContact CG2-CG2 4.05Å; I510-T514 VanDerWaalsContact O-CB 3.31Å; I510-T514 WeakPolarHBondContact O-CB 3.46Å; I510-T514 WeakPolarHBondContact O-CG2 3.46Å; I510-T514 PolarHBondContact O-N 3.47Å; I510-T514 PolarHBondContact O-OG1 3.22Å; Y511-T514 PolarHBondContact O-N 3.4Å; Y511-T514 PolarHBondContact O-OG1 3.32Å; T514-T516 PolarHBondContact O-N 3.46Å; T514-F517 HydrophobicContact CG2-CE1 4.15Å; T514-F517 HydrophobicContact CG2-CE2 4.37Å; T514-F517 HydrophobicContact CG2-CZ 3.63Å; T514-F517 PolarHBondContact O-N 3.17Å; T514-F517 VanDerWaalsContact O-N 3.13Å; T514-C518 CarbonylContact O-C 3.29Å; T514-C518 VanDerWaalsContact O-C 3.29Å; T514-C518 PolarHBondContact O-N 3.29Å; T514-A521 HydrophobicContact CG2-CB 3.93Å; T514-A521 WeakPolarHBondContact OG1-CB 3.45Å
515V84Confident89.7Confident23 Ų2339 Ų3914%0.13922%0.221CC..THydrogen-bonded Turntrans-54.5-32.6-174.268.60000113.6Y511 F517Y511-V515 HydrophobicContact CE1-CB 4.4Å; Y511-V515 HydrophobicContact CE1-CG2 4.16Å; Y511-V515 HydrophobicContact CE2-CB 4.5Å; Y511-V515 HydrophobicContact CE2-CG2 4.19Å; Y511-V515 WeakPolarHBondContact O-CB 3.37Å; Y511-V515 PolarHBondContact O-N 3.34Å; V515-F517 PolarHBondContact O-N 3.02Å
516T82Confident90.1Very high108 Ų10837.2 Ų37.266%0.66320%0.203SC*.THydrogen-bonded Turntrans-70.8-29.9-176.755.90000113.9T514T514-T516 PolarHBondContact O-N 3.46Å
517F85.1Confident90.4Very high151 Ų15135.5 Ų35.566%0.66219%0.191SC*.THydrogen-bonded Turntrans-115.1-32.9-179.164.4-95000113.7T514 V515T514-F517 HydrophobicContact CG2-CE1 4.15Å; T514-F517 HydrophobicContact CG2-CE2 4.37Å; T514-F517 HydrophobicContact CG2-CZ 3.63Å; T514-F517 PolarHBondContact O-N 3.17Å; T514-F517 VanDerWaalsContact O-N 3.13Å; V515-F517 PolarHBondContact O-N 3.02Å
518C88.6Confident90.6Very high26 Ų2637 Ų3718%0.17621%0.207CC..  trans-147.990179.5-1760000110.1T514 G520 A521T514-C518 CarbonylContact O-C 3.29Å; T514-C518 VanDerWaalsContact O-C 3.29Å; T514-C518 PolarHBondContact O-N 3.29Å; C518-G520 PolarHBondContact O-N 3.09Å; C518-A521 HydrophobicContact CB-CB 4.19Å; C518-A521 VanDerWaalsContact O-CB 3.3Å; C518-A521 WeakPolarHBondContact O-CB 3.48Å; C518-A521 PolarHBondContact O-N 3Å; C518-A521 VanDerWaalsContact O-N 3.09Å
519S86.1Confident91Very high12 Ų1239.1 Ų39.18%0.08422%0.218CC..THydrogen-bonded Turntrans-59.4-29.1-17959.10000113.5Y323 F444Y323-S519 WeakPolarHBondContact CD2-O 3.33Å; F444-S519 WeakPolarHBondContact CB-OG 3.26Å; F444-S519 WeakPolarHBondContact CD2-OG 3.4Å; F444-S519 WeakPolarHBondContact CG-OG 3.27Å
520G90.5Very high91.3Very high0 Ų032.4 Ų32.40%019%0.192CC..THydrogen-bonded Turntrans-81.4-2177.600000116.2C518 V522 F523 F524C518-G520 PolarHBondContact O-N 3.09Å; G520-V522 VanDerWaalsContact C-N 3.33Å; G520-V522 PolarHBondContact O-N 3.29Å; G520-F523 PolarHBondContact O-N 3.18Å; G520-F523 VanDerWaalsContact O-N 3.07Å; G520-F524 PolarHBondContact O-N 2.83Å
521A93.2Very high91.6Very high15 Ų1535 Ų3512%0.12420%0.201CC..Hα-helixtrans-58.3-37.6-168.700000114.7T514 C518 F523 F524 V525T514-A521 HydrophobicContact CG2-CB 3.93Å; T514-A521 WeakPolarHBondContact OG1-CB 3.45Å; C518-A521 HydrophobicContact CB-CB 4.19Å; C518-A521 VanDerWaalsContact O-CB 3.3Å; C518-A521 WeakPolarHBondContact O-CB 3.48Å; C518-A521 PolarHBondContact O-N 3Å; C518-A521 VanDerWaalsContact O-N 3.09Å; A521-F523 PolarHBondContact O-N 2.97Å; A521-F524 WeakPolarHBondContact O-CB 3.29Å; A521-F524 PolarHBondContact O-N 3.39Å; A521-F524 VanDerWaalsContact O-N 3.09Å; A521-V525 PolarHBondContact O-N 2.92Å
522V93.8Very high92Very high0 Ų038.9 Ų38.90%022%0.222CC..Hα-helixtrans-62.9-32.9179.3-178.60000112.7Y319 L507 I510 Y511 G520 V525 S526Y319-V522 HydrophobicContact CD1-CG1 4.49Å; Y319-V522 HydrophobicContact CD2-CG1 3.97Å; Y319-V522 HydrophobicContact CE1-CG1 4.22Å; Y319-V522 HydrophobicContact CE2-CB 4.4Å; Y319-V522 HydrophobicContact CE2-CG1 3.65Å; Y319-V522 HydrophobicContact CG-CG1 4.38Å; L507-V522 HydrophobicContact CB-CG1 3.94Å; L507-V522 HydrophobicContact CD2-CG1 4.16Å; L507-V522 WeakPolarHBondContact O-CG2 3.44Å; I510-V522 HydrophobicContact CB-CG2 4.04Å; I510-V522 HydrophobicContact CG2-CG2 3.85Å; Y511-V522 HydrophobicContact CD2-CG2 4.24Å; Y511-V522 HydrophobicContact CG-CG2 4.39Å; G520-V522 VanDerWaalsContact C-N 3.33Å; G520-V522 PolarHBondContact O-N 3.29Å; V522-V525 PolarHBondContact O-N 2.94Å; V522-S526 WeakPolarHBondContact O-CB 3.45Å; V522-S526 PolarHBondContact O-N 2.98Å; V522-S526 PolarHBondContact O-OG 3.08Å
523F95.8Very high92.5Very high0 Ų038.3 Ų38.30%022%0.217CC..Hα-helixtrans-72.4-33.1176.5-63-75.1000111.6Y319 Y323 K437 M440 G520 A521 S526 S527Y319-F523 HydrophobicContact CD2-CE1 4.42Å; Y319-F523 HydrophobicContact CD2-CZ 4.11Å; Y319-F523 HydrophobicContact CE2-CD1 4.25Å; Y319-F523 AromaticContact CE2-CE1 3.69Å; Y319-F523 HydrophobicContact CE2-CE1 3.69Å; Y319-F523 HydrophobicContact CE2-CE2 4.49Å; Y319-F523 AromaticContact CE2-CZ 3.83Å; Y319-F523 HydrophobicContact CE2-CZ 3.83Å; Y323-F523 AromaticContact CD1-CE2 3.47Å; Y323-F523 HydrophobicContact CD1-CE2 3.47Å; Y323-F523 VanDerWaalsContact CD1-CE2 3.47Å; Y323-F523 AromaticContact CD1-CZ 3.91Å; Y323-F523 HydrophobicContact CD1-CZ 3.91Å; Y323-F523 HydrophobicContact CD2-CE2 4.06Å; Y323-F523 HydrophobicContact CE1-CD2 4.36Å; Y323-F523 AromaticContact CE1-CE2 3.71Å; Y323-F523 HydrophobicContact CE1-CE2 3.71Å; Y323-F523 HydrophobicContact CE1-CZ 4.36Å; Y323-F523 HydrophobicContact CE2-CE2 4.29Å; Y323-F523 AromaticContact CG-CE2 3.64Å; Y323-F523 HydrophobicContact CG-CE2 3.64Å; Y323-F523 HydrophobicContact CG-CZ 4.27Å; K437-F523 HydrophobicContact CD-CD1 4.16Å; K437-F523 WeakPolarHBondContact O-CB 2.94Å; M440-F523 HydrophobicContact CB-CB 4.5Å; M440-F523 HydrophobicContact CB-CD1 3.91Å; M440-F523 HydrophobicContact CB-CD2 4.48Å; M440-F523 HydrophobicContact CB-CE1 4.22Å; M440-F523 HydrophobicContact CB-CG 4.05Å; M440-F523 HydrophobicContact CG-CD1 3.62Å; M440-F523 HydrophobicContact CG-CD2 3.93Å; M440-F523 HydrophobicContact CG-CE1 3.44Å; M440-F523 VanDerWaalsContact CG-CE1 3.44Å; M440-F523 HydrophobicContact CG-CE2 3.77Å; M440-F523 HydrophobicContact CG-CG 3.87Å; M440-F523 HydrophobicContact CG-CZ 3.52Å; G520-F523 PolarHBondContact O-N 3.18Å; G520-F523 VanDerWaalsContact O-N 3.07Å; A521-F523 PolarHBondContact O-N 2.97Å; F523-S526 PolarHBondContact O-N 3.38Å; F523-S527 VanDerWaalsContact O-CB 3.25Å; F523-S527 WeakPolarHBondContact O-CB 3.45Å; F523-S527 PolarHBondContact O-N 3.36Å
524F95.9Very high92.9Very high69 Ų6937.1 Ų37.130%0.30320%0.202SC..Hα-helixtrans-65.3-42.6170.7-63.1-53.1000111.9L438 G441 L442 G520 A521 S527 G528L438-F524 HydrophobicContact CD2-CD1 3.84Å; L438-F524 HydrophobicContact CD2-CE1 4.2Å; G441-F524 WeakPolarHBondContact O-CZ 3.39Å; L442-F524 HydrophobicContact CD2-CE1 4.17Å; L442-F524 HydrophobicContact CD2-CZ 3.86Å; L442-F524 HydrophobicContact CG-CE1 4.07Å; L442-F524 HydrophobicContact CG-CZ 4.06Å; G520-F524 PolarHBondContact O-N 2.83Å; A521-F524 WeakPolarHBondContact O-CB 3.29Å; A521-F524 PolarHBondContact O-N 3.39Å; A521-F524 VanDerWaalsContact O-N 3.09Å; F524-S527 WeakPolarHBondContact O-CB 3.27Å; F524-S527 PolarHBondContact O-N 3.47Å; F524-G528 PolarHBondContact O-N 2.99Å
525V95.9Very high93.3Very high57 Ų5740.4 Ų40.435%0.34522%0.218SC..Hα-helixtrans-61-46.9173.9175.50000110.9L507 I510 A521 V522 S527 G528 L529L507-V525 HydrophobicContact CD2-CG1 4.35Å; I510-V525 HydrophobicContact CD1-CG1 4.22Å; I510-V525 HydrophobicContact CG2-CG2 4.35Å; A521-V525 PolarHBondContact O-N 2.92Å; V522-V525 PolarHBondContact O-N 2.94Å; V525-S527 VanDerWaalsContact C-N 3.29Å; V525-S527 PolarHBondContact O-N 3.41Å; V525-G528 PolarHBondContact O-N 3.09Å; V525-L529 HydrophobicContact CG1-CD1 4.27Å; V525-L529 WeakPolarHBondContact O-CG 3.24Å; V525-L529 PolarHBondContact O-N 3.31Å
526S95.7Very high93.8Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-62.6-36.7177.8-59.10000112.3T312 V522 F523 S530T312-S526 WeakPolarHBondContact CG2-O 3.28Å; V522-S526 WeakPolarHBondContact O-CB 3.45Å; V522-S526 PolarHBondContact O-N 2.98Å; V522-S526 PolarHBondContact O-OG 3.08Å; F523-S526 PolarHBondContact O-N 3.38Å; S526-S530 WeakPolarHBondContact O-CB 3.48Å; S526-S530 PolarHBondContact O-N 3.49Å; S526-S530 PolarHBondContact O-OG 3.25Å
527S97Very high94.4Very high6 Ų636.2 Ų36.24%0.04219%0.19CC..Hα-helixtrans-65.2-46.5173.7-1780000111.4V434 L438 F523 F524 V525 L529 S530 F531V434-S527 PolarHBondContact O-OG 3.38Å; L438-S527 WeakPolarHBondContact CD2-OG 3.18Å; L438-S527 VanDerWaalsContact CG-OG 3.28Å; L438-S527 WeakPolarHBondContact CG-OG 3.39Å; F523-S527 VanDerWaalsContact O-CB 3.25Å; F523-S527 WeakPolarHBondContact O-CB 3.45Å; F523-S527 PolarHBondContact O-N 3.36Å; F524-S527 WeakPolarHBondContact O-CB 3.27Å; F524-S527 PolarHBondContact O-N 3.47Å; V525-S527 VanDerWaalsContact C-N 3.29Å; V525-S527 PolarHBondContact O-N 3.41Å; S527-L529 PolarHBondContact O-N 3.36Å; S527-S530 CarbonylContact O-C 3.59Å; S527-S530 PolarHBondContact O-N 2.94Å; S527-F531 WeakPolarHBondContact O-CB 3.33Å; S527-F531 PolarHBondContact O-N 3.06Å
528G97Very high94.9Very high34 Ų3432.2 Ų32.235%0.35118%0.176SC..Hα-helixtrans-58.4-46176.200000112.8F524 V525 S530 F531 I532F524-G528 PolarHBondContact O-N 2.99Å; V525-G528 PolarHBondContact O-N 3.09Å; G528-S530 VanDerWaalsContact C-N 3.34Å; G528-S530 PolarHBondContact O-N 3.1Å; G528-F531 WeakPolarHBondContact O-CB 3.03Å; G528-F531 PolarHBondContact O-N 2.89Å; G528-I532 WeakPolarHBondContact O-CG1 3.48Å; G528-I532 PolarHBondContact O-N 3.35Å
529L96.7Very high95.2Very high45 Ų4537.2 Ų37.224%0.23619%0.192CC..Hα-helixtrans-61.8-41.3175.2-69.8173000112.2L308 L311 T312 V525 S527 F531 I532 A533L308-L529 HydrophobicContact CD2-CD2 4.32Å; L311-L529 HydrophobicContact CD2-CD1 3.98Å; T312-L529 HydrophobicContact CG2-CB 3.59Å; T312-L529 HydrophobicContact CG2-CD1 4.12Å; V525-L529 HydrophobicContact CG1-CD1 4.27Å; V525-L529 WeakPolarHBondContact O-CG 3.24Å; V525-L529 PolarHBondContact O-N 3.31Å; S527-L529 PolarHBondContact O-N 3.36Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.19Å; L529-I532 PolarHBondContact O-N 3.25Å; L529-A533 PolarHBondContact O-N 3.33Å
530S95.7Very high95.5Very high0 Ų036.8 Ų36.80%019%0.189CC..Hα-helixtrans-68.9-30.6176.6-55.30000112.1T312 S526 S527 G528 A533 F534T312-S530 PolarHBondContact OG1-OG 3.46Å; T312-S530 VanDerWaalsContact OG1-OG 3.09Å; S526-S530 WeakPolarHBondContact O-CB 3.48Å; S526-S530 PolarHBondContact O-N 3.49Å; S526-S530 PolarHBondContact O-OG 3.25Å; S527-S530 CarbonylContact O-C 3.59Å; S527-S530 PolarHBondContact O-N 2.94Å; G528-S530 VanDerWaalsContact C-N 3.34Å; G528-S530 PolarHBondContact O-N 3.1Å; S530-A533 PolarHBondContact O-N 3.11Å; S530-F534 PolarHBondContact O-N 3.2Å
531F97.6Very high95.6Very high102 Ų10237.7 Ų37.745%0.44720%0.195SC..Hα-helixtrans-70.4-37.7176.3-174.7-110.4000111.9V434 S527 G528 L529 A533 F534 I535V434-F531 HydrophobicContact CG1-CB 4.46Å; V434-F531 HydrophobicContact CG1-CD2 4.31Å; V434-F531 HydrophobicContact CG2-CB 4.07Å; S527-F531 WeakPolarHBondContact O-CB 3.33Å; S527-F531 PolarHBondContact O-N 3.06Å; G528-F531 WeakPolarHBondContact O-CB 3.03Å; G528-F531 PolarHBondContact O-N 2.89Å; L529-F531 VanDerWaalsContact C-N 3.31Å; L529-F531 PolarHBondContact O-N 3.19Å; F531-A533 VanDerWaalsContact C-N 3.33Å; F531-A533 PolarHBondContact O-N 2.97Å; F531-F534 HydrophobicContact CD2-CD1 4.15Å; F531-F534 HydrophobicContact CE2-CD1 4.09Å; F531-F534 HydrophobicContact CE2-CE1 4.44Å; F531-F534 WeakPolarHBondContact O-CB 3.35Å; F531-F534 PolarHBondContact O-N 3.43Å; F531-I535 HydrophobicContact CD1-CD1 3.89Å; F531-I535 HydrophobicContact CE1-CD1 3.55Å; F531-I535 HydrophobicContact CE1-CG1 4.26Å; F531-I535 HydrophobicContact CZ-CD1 4.09Å; F531-I535 HydrophobicContact CZ-CG1 4.38Å; F531-I535 WeakPolarHBondContact O-CG1 3.41Å; F531-I535 PolarHBondContact O-N 3.38Å
532I97.5Very high95.5Very high86 Ų8645.9 Ų45.944%0.44122%0.223SC..Hα-helixtrans-58.6-48170.7-65.2166.7000109.9L308 G528 L529 F534 I535 L536L308-I532 HydrophobicContact CD1-CB 4.36Å; L308-I532 HydrophobicContact CD1-CG2 3.94Å; G528-I532 WeakPolarHBondContact O-CG1 3.48Å; G528-I532 PolarHBondContact O-N 3.35Å; L529-I532 PolarHBondContact O-N 3.25Å; I532-F534 VanDerWaalsContact C-N 3.3Å; I532-F534 PolarHBondContact O-N 3.43Å; I532-I535 PolarHBondContact O-N 2.85Å; I532-I535 VanDerWaalsContact O-N 3.16Å; I532-L536 HydrophobicContact CG2-CD1 4.37Å; I532-L536 WeakPolarHBondContact O-CG 3.24Å; I532-L536 PolarHBondContact O-N 3.09Å
533A96.7Very high95.3Very high0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-61-37.7176.800000112.7V305 L308 M430 L529 S530 F531 L536 L537V305-A533 HydrophobicContact CG1-CB 4.42Å; L308-A533 HydrophobicContact CB-CB 3.85Å; L308-A533 HydrophobicContact CD1-CB 3.93Å; M430-A533 HydrophobicContact CE-CB 3.59Å; L529-A533 PolarHBondContact O-N 3.33Å; S530-A533 PolarHBondContact O-N 3.11Å; F531-A533 VanDerWaalsContact C-N 3.33Å; F531-A533 PolarHBondContact O-N 2.97Å; A533-L536 PolarHBondContact O-N 3.23Å; A533-L537 PolarHBondContact O-N 3.34Å
534F97Very high94.8Very high28 Ų2851.3 Ų51.312%0.12324%0.244CC..Hα-helixtrans-61-45.4172.6171.5-99.2000112.4I427 M430 L431 S530 F531 I532 L536 L537 L538I427-F534 HydrophobicContact CG2-CD2 4.17Å; I427-F534 HydrophobicContact CG2-CE2 3.58Å; I427-F534 HydrophobicContact CG2-CZ 4.47Å; M430-F534 HydrophobicContact CB-CB 4.3Å; M430-F534 HydrophobicContact CB-CD2 4.34Å; L431-F534 HydrophobicContact CB-CD2 4.07Å; L431-F534 HydrophobicContact CB-CE2 3.81Å; L431-F534 HydrophobicContact CD1-CE2 3.85Å; L431-F534 HydrophobicContact CD1-CZ 3.88Å; L431-F534 HydrophobicContact CG-CE2 4.42Å; S530-F534 PolarHBondContact O-N 3.2Å; F531-F534 HydrophobicContact CD2-CD1 4.15Å; F531-F534 HydrophobicContact CE2-CD1 4.09Å; F531-F534 HydrophobicContact CE2-CE1 4.44Å; F531-F534 WeakPolarHBondContact O-CB 3.35Å; F531-F534 PolarHBondContact O-N 3.43Å; I532-F534 VanDerWaalsContact C-N 3.3Å; I532-F534 PolarHBondContact O-N 3.43Å; F534-L536 PolarHBondContact O-N 3Å; F534-L537 PolarHBondContact O-N 3.16Å; F534-L538 HydrophobicContact CD1-CD1 4.18Å; F534-L538 HydrophobicContact CE1-CD1 3.57Å; F534-L538 HydrophobicContact CE1-CG 4.21Å; F534-L538 HydrophobicContact CZ-CD1 3.85Å; F534-L538 HydrophobicContact CZ-CD2 4.27Å; F534-L538 HydrophobicContact CZ-CG 4.19Å; F534-L538 PolarHBondContact O-N 3.41Å
535I96.8Very high94.4Very high87 Ų8753.8 Ų53.845%0.44626%0.255SS..Hα-helixtrans-61.2-44.2176.4-67.6170.1000111F531 I532 L537 L538 Y539F531-I535 HydrophobicContact CD1-CD1 3.89Å; F531-I535 HydrophobicContact CE1-CD1 3.55Å; F531-I535 HydrophobicContact CE1-CG1 4.26Å; F531-I535 HydrophobicContact CZ-CD1 4.09Å; F531-I535 HydrophobicContact CZ-CG1 4.38Å; F531-I535 WeakPolarHBondContact O-CG1 3.41Å; F531-I535 PolarHBondContact O-N 3.38Å; I532-I535 PolarHBondContact O-N 2.85Å; I532-I535 VanDerWaalsContact O-N 3.16Å; I535-L537 VanDerWaalsContact C-N 3.29Å; I535-L537 PolarHBondContact O-N 3.43Å; I535-L538 WeakPolarHBondContact O-CB 3.3Å; I535-L538 PolarHBondContact O-N 3.48Å; I535-L538 VanDerWaalsContact O-N 3.14Å; I535-Y539 PolarHBondContact O-N 3Å
536L96.3Very high94Very high39 Ų3958.2 Ų58.220%0.20427%0.27CS..Hα-helixtrans-60-40.1177.4-66.8176.2000111.6L301 T304 V305 L308 I532 A533 F534 Y539 I540L301-L536 HydrophobicContact CD2-CD2 4.1Å; T304-L536 HydrophobicContact CG2-CD1 3.95Å; V305-L536 HydrophobicContact CG2-CB 3.73Å; V305-L536 HydrophobicContact CG2-CD1 4.28Å; L308-L536 HydrophobicContact CD1-CD1 4.3Å; I532-L536 HydrophobicContact CG2-CD1 4.37Å; I532-L536 WeakPolarHBondContact O-CG 3.24Å; I532-L536 PolarHBondContact O-N 3.09Å; A533-L536 PolarHBondContact O-N 3.23Å; F534-L536 PolarHBondContact O-N 3Å; L536-Y539 WeakPolarHBondContact O-CB 3.25Å; L536-Y539 PolarHBondContact O-N 3.39Å; L536-I540 WeakPolarHBondContact O-CG1 3.14Å; L536-I540 PolarHBondContact O-N 3.38Å
537L94.7Very high93.4Very high3 Ų361.8 Ų61.82%0.01629%0.286CS..Hα-helixtrans-66.5-35.8174.8-76.8166.5000113.6V305 V426 I427 M430 A533 F534 I535 Y539 I540 S541V305-L537 HydrophobicContact CG1-CD1 3.82Å; V305-L537 HydrophobicContact CG1-CD2 4.03Å; V305-L537 HydrophobicContact CG1-CG 3.79Å; V305-L537 HydrophobicContact CG2-CD2 4.37Å; V305-L537 HydrophobicContact CG2-CG 3.98Å; V426-L537 HydrophobicContact CB-CD1 4.41Å; V426-L537 HydrophobicContact CG1-CD1 3.5Å; V426-L537 HydrophobicContact CG1-CD2 3.92Å; V426-L537 HydrophobicContact CG1-CG 4.37Å; I427-L537 HydrophobicContact CD1-CB 4.48Å; I427-L537 HydrophobicContact CG1-CB 3.73Å; I427-L537 HydrophobicContact CG1-CD1 4.49Å; M430-L537 HydrophobicContact CB-CD1 4.11Å; M430-L537 HydrophobicContact CG-CD1 3.37Å; A533-L537 PolarHBondContact O-N 3.34Å; F534-L537 PolarHBondContact O-N 3.16Å; I535-L537 VanDerWaalsContact C-N 3.29Å; I535-L537 PolarHBondContact O-N 3.43Å; L537-Y539 VanDerWaalsContact C-N 3.28Å; L537-Y539 PolarHBondContact O-N 2.98Å; L537-I540 HydrophobicContact CD2-CD1 4.27Å; L537-I540 PolarHBondContact O-N 3.37Å; L537-S541 VanDerWaalsContact O-CB 3.27Å; L537-S541 WeakPolarHBondContact O-CB 3.48Å; L537-S541 PolarHBondContact O-N 2.8Å
538L95.2Very high92.7Very high68 Ų6861.9 Ų61.936%0.35629%0.286SS..Hα-helixtrans-62.2-39.6172.7-68.3179.7000111.1I427 F534 I535 S541 R542I427-L538 HydrophobicContact CD1-CD2 4.17Å; I427-L538 HydrophobicContact CG2-CD2 4.08Å; F534-L538 HydrophobicContact CD1-CD1 4.18Å; F534-L538 HydrophobicContact CE1-CD1 3.57Å; F534-L538 HydrophobicContact CE1-CG 4.21Å; F534-L538 HydrophobicContact CZ-CD1 3.85Å; F534-L538 HydrophobicContact CZ-CD2 4.27Å; F534-L538 HydrophobicContact CZ-CG 4.19Å; F534-L538 PolarHBondContact O-N 3.41Å; I535-L538 WeakPolarHBondContact O-CB 3.3Å; I535-L538 PolarHBondContact O-N 3.48Å; I535-L538 VanDerWaalsContact O-N 3.14Å; L538-S541 PolarHBondContact O-N 3.39Å; L538-R542 WeakPolarHBondContact O-CG 3.38Å; L538-R542 PolarHBondContact O-N 2.67Å
539Y94.2Very high92.1Very high130 Ų13067.6 Ų67.651%0.5130%0.302SS..Hα-helixtrans-63.3-48.8174.2-179.3-94.2000111.8L301 I535 L536 L537 S541 R542 Y543L301-Y539 HydrophobicContact CD1-CD1 3.85Å; L301-Y539 HydrophobicContact CD1-CE1 3.86Å; I535-Y539 PolarHBondContact O-N 3Å; L536-Y539 WeakPolarHBondContact O-CB 3.25Å; L536-Y539 PolarHBondContact O-N 3.39Å; L537-Y539 VanDerWaalsContact C-N 3.28Å; L537-Y539 PolarHBondContact O-N 2.98Å; Y539-S541 VanDerWaalsContact C-N 3.33Å; Y539-S541 PolarHBondContact O-N 3.35Å; Y539-R542 WeakPolarHBondContact O-CB 3.44Å; Y539-R542 PolarHBondContact O-N 3.49Å; Y539-Y543 PolarHBondContact O-N 2.85Å
540I92.2Very high91.4Very high3 Ų370.2 Ų70.22%0.01532%0.316CS..Hα-helixtrans-57.5-46176.1-64.6161.7000110.6L301 V302 V305 I423 L536 L537 R542 Y543 T544L301-I540 HydrophobicContact CB-CD1 3.87Å; L301-I540 HydrophobicContact CB-CG1 4.04Å; L301-I540 HydrophobicContact CD1-CG1 4.18Å; V302-I540 HydrophobicContact CG2-CD1 3.78Å; V305-I540 HydrophobicContact CG2-CD1 4.42Å; I423-I540 HydrophobicContact CD1-CG2 4.02Å; L536-I540 WeakPolarHBondContact O-CG1 3.14Å; L536-I540 PolarHBondContact O-N 3.38Å; L537-I540 HydrophobicContact CD2-CD1 4.27Å; L537-I540 PolarHBondContact O-N 3.37Å; I540-R542 VanDerWaalsContact C-N 3.32Å; I540-R542 PolarHBondContact O-N 2.76Å; I540-Y543 WeakPolarHBondContact O-CB 3.31Å; I540-Y543 PolarHBondContact O-N 3.5Å; I540-Y543 VanDerWaalsContact O-N 3.16Å; I540-T544 PolarHBondContact O-N 3.32Å; I540-T544 PolarHBondContact O-OG1 2.93Å
541S92.4Very high90.5Very high19 Ų1971.3 Ų71.313%0.13332%0.323CS..Hα-helixtrans-61.5-38.2178.6-177.90000112.9L537 L538 Y539 K545L537-S541 VanDerWaalsContact O-CB 3.27Å; L537-S541 WeakPolarHBondContact O-CB 3.48Å; L537-S541 PolarHBondContact O-N 2.8Å; L538-S541 PolarHBondContact O-N 3.39Å; Y539-S541 VanDerWaalsContact C-N 3.33Å; Y539-S541 PolarHBondContact O-N 3.35Å; S541-K545 WeakPolarHBondContact O-CB 3.21Å; S541-K545 PolarHBondContact O-N 2.88Å
542R91.9Very high89.6Confident188 Ų18869.3 Ų69.371%0.70932%0.316SS*.Hα-helixtrans-66.6-41.9173.9-76.7178.9176.1-175.80.1111.7L538 Y539 I540 K545 K546L538-R542 WeakPolarHBondContact O-CG 3.38Å; L538-R542 PolarHBondContact O-N 2.67Å; Y539-R542 WeakPolarHBondContact O-CB 3.44Å; Y539-R542 PolarHBondContact O-N 3.49Å; I540-R542 VanDerWaalsContact C-N 3.32Å; I540-R542 PolarHBondContact O-N 2.76Å; R542-K545 PolarHBondContact O-N 3.02Å; R542-K546 PolarHBondContact O-N 2.74Å; R542-K546 VanDerWaalsContact O-N 3.11Å
543Y88.5Confident88.6Confident107 Ų10771 Ų7142%0.4232%0.321SS..Hα-helixtrans-60-53.1176.5-177.5-85.8000111.1I298 Y539 I540 K545 K546 E547I298-Y543 HydrophobicContact CD1-CD1 3.78Å; I298-Y543 HydrophobicContact CD1-CE1 3.42Å; I298-Y543 VanDerWaalsContact CD1-CE1 3.42Å; I298-Y543 HydrophobicContact CG1-CD1 4.29Å; I298-Y543 HydrophobicContact CG1-CE1 4.16Å; Y539-Y543 PolarHBondContact O-N 2.85Å; I540-Y543 WeakPolarHBondContact O-CB 3.31Å; I540-Y543 PolarHBondContact O-N 3.5Å; I540-Y543 VanDerWaalsContact O-N 3.16Å; Y543-K545 PolarHBondContact O-N 3.2Å; Y543-K546 WeakPolarHBondContact O-CB 3.44Å; Y543-K546 PolarHBondContact O-N 3.08Å; Y543-E547 PolarHBondContact O-N 3.02Å
544T86.1Confident87.7Confident6 Ų675.1 Ų75.14%0.03734%0.343CS..Hα-helixtrans-61.1-32.5178.1-510000112.3R420 I540 E547 I548R420-T544 HydrophobicContact CB-CG2 4.42Å; I540-T544 PolarHBondContact O-N 3.32Å; I540-T544 PolarHBondContact O-OG1 2.93Å; T544-E547 PolarHBondContact O-N 3.31Å; T544-I548 HydrophobicContact CG2-CD1 4.29Å; T544-I548 WeakPolarHBondContact O-CG1 3.18Å; T544-I548 PolarHBondContact O-N 3.33Å; T544-I548 VanDerWaalsContact O-N 3.12Å
545K87.8Confident86.6Confident122 Ų12275.6 Ų75.653%0.5335%0.346SS..Hα-helixtrans-64.9-40.1174.2-175.2-175.6179.1-173.80112S541 R542 Y543 K549S541-K545 WeakPolarHBondContact O-CB 3.21Å; S541-K545 PolarHBondContact O-N 2.88Å; R542-K545 PolarHBondContact O-N 3.02Å; Y543-K545 PolarHBondContact O-N 3.2Å; K545-K549 PolarHBondContact O-N 3.03Å; K545-K549 VanDerWaalsContact O-N 3.17Å
546K87.4Confident85.4Confident150 Ų15073.7 Ų73.765%0.65234%0.34SS*.Hα-helixtrans-66.3-42.5177-72.1-177.3177.3-173.90111R542 Y543 I548 K549 N550R542-K546 PolarHBondContact O-N 2.74Å; R542-K546 VanDerWaalsContact O-N 3.11Å; Y543-K546 WeakPolarHBondContact O-CB 3.44Å; Y543-K546 PolarHBondContact O-N 3.08Å; K546-I548 PolarHBondContact O-N 3.04Å; K546-K549 PolarHBondContact O-N 3.18Å; K546-K549 VanDerWaalsContact O-N 3.14Å; K546-N550 PolarHBondContact O-N 3.29Å; K546-N550 PolarHBondContact O-OD1 3.45Å
547E83.6Confident84.3Confident74 Ų7474.2 Ų74.235%0.34634%0.343SS..Hα-helixtrans-57.6-47.1176.8-166.7-179173.400111.8Y543 T544 K549 N550 T551Y543-E547 PolarHBondContact O-N 3.02Å; T544-E547 PolarHBondContact O-N 3.31Å; E547-K549 VanDerWaalsContact C-N 3.33Å; E547-K549 PolarHBondContact O-N 2.99Å; E547-N550 PolarHBondContact O-N 2.79Å; E547-T551 PolarHBondContact O-N 3.1Å; E547-T551 PolarHBondContact O-OG1 2.6Å
548I80.8Confident83Confident8 Ų876.2 Ų76.24%0.04135%0.353CS..Hα-helixtrans-61-40.4175.6-66.9164.6000112.1L416 R420 T544 K546 N550 T551 D552L416-I548 HydrophobicContact CB-CD1 4.07Å; L416-I548 HydrophobicContact CB-CG1 3.64Å; L416-I548 HydrophobicContact CD1-CG1 4.16Å; L416-I548 HydrophobicContact CG-CG1 4.47Å; R420-I548 HydrophobicContact CB-CD1 4.14Å; T544-I548 HydrophobicContact CG2-CD1 4.29Å; T544-I548 WeakPolarHBondContact O-CG1 3.18Å; T544-I548 PolarHBondContact O-N 3.33Å; T544-I548 VanDerWaalsContact O-N 3.12Å; K546-I548 PolarHBondContact O-N 3.04Å; I548-N550 VanDerWaalsContact C-N 3.29Å; I548-N550 PolarHBondContact O-N 3.38Å; I548-T551 WeakPolarHBondContact CA-OG1 3.41Å; I548-T551 PolarHBondContact O-N 3.32Å; I548-T551 PolarHBondContact O-OG1 2.93Å; I548-D552 WeakPolarHBondContact O-CB 3.42Å; I548-D552 VanDerWaalsContact O-CG 3.31Å; I548-D552 PolarHBondContact O-N 3.27Å
549K84.3Confident81.5Confident155 Ų15576.6 Ų76.667%0.67436%0.355SS*.Hα-helixtrans-64.4-38.5178.7-171.6-178.1177-1730111.1K545 K546 E547 F553K545-K549 PolarHBondContact O-N 3.03Å; K545-K549 VanDerWaalsContact O-N 3.17Å; K546-K549 PolarHBondContact O-N 3.18Å; K546-K549 VanDerWaalsContact O-N 3.14Å; E547-K549 VanDerWaalsContact C-N 3.33Å; E547-K549 PolarHBondContact O-N 2.99Å; K549-F553 WeakPolarHBondContact O-CB 3.31Å; K549-F553 PolarHBondContact O-N 2.96Å
550N83.1Confident80Confident100 Ų10077 Ų7754%0.53536%0.361SS..Hα-helixtrans-68.7-38.4177.9-67.91.8000111.5K546 E547 I548 F553 N554K546-N550 PolarHBondContact O-N 3.29Å; K546-N550 PolarHBondContact O-OD1 3.45Å; E547-N550 PolarHBondContact O-N 2.79Å; I548-N550 VanDerWaalsContact C-N 3.29Å; I548-N550 PolarHBondContact O-N 3.38Å; N550-F553 PolarHBondContact O-N 3.23Å; N550-N554 VanDerWaalsContact O-CG 3.26Å; N550-N554 PolarHBondContact O-N 3Å; N550-N554 PolarHBondContact O-OD1 3.07Å
551T77.2Confident78.6Confident23 Ų2382.9 Ų82.914%0.14139%0.391CS..Hα-helixtrans-71.2-38.4175.957.40000112.5N413 L416 E547 I548 F553 N554 Q555N413-T551 WeakPolarHBondContact OD1-CB 3.35Å; N413-T551 PolarHBondContact OD1-OG1 3.25Å; L416-T551 HydrophobicContact CD1-CG2 4.16Å; E547-T551 PolarHBondContact O-N 3.1Å; E547-T551 PolarHBondContact O-OG1 2.6Å; I548-T551 WeakPolarHBondContact CA-OG1 3.41Å; I548-T551 PolarHBondContact O-N 3.32Å; I548-T551 PolarHBondContact O-OG1 2.93Å; T551-F553 VanDerWaalsContact C-N 3.33Å; T551-N554 PolarHBondContact O-N 3.49Å; T551-Q555 PolarHBondContact O-N 2.93Å
552D78.8Confident77Confident59 Ų5986.6 Ų86.632%0.31641%0.413SS..Hα-helixtrans-62.9-38.8173.3-72.1-30.2000110.9N413 R417 I548 Q555 S556N413-D552 PolarHBondContact ND2-OD1 3.14Å; R417-D552 IonicContact NH2-OD1 2.92Å; R417-D552 PolarHBondContact NH2-OD1 2.85Å; R417-D552 VanDerWaalsContact NH2-OD1 3.09Å; R417-D552 IonicContact NH2-OD2 2.88Å; I548-D552 WeakPolarHBondContact O-CB 3.42Å; I548-D552 VanDerWaalsContact O-CG 3.31Å; I548-D552 PolarHBondContact O-N 3.27Å; D552-Q555 WeakPolarHBondContact O-CB 3.04Å; D552-Q555 PolarHBondContact O-N 3.32Å; D552-S556 PolarHBondContact O-N 3.1Å; D552-S556 VanDerWaalsContact O-N 3.1Å
553F76.7Confident75.3Confident123 Ų12382.9 Ų82.954%0.53941%0.407SS..Hα-helixtrans-67.3-42.1174.7-178.8-101.2000112.9K549 N550 T551 Q555 S556 N557K549-F553 WeakPolarHBondContact O-CB 3.31Å; K549-F553 PolarHBondContact O-N 2.96Å; N550-F553 PolarHBondContact O-N 3.23Å; T551-F553 VanDerWaalsContact C-N 3.33Å; F553-Q555 PolarHBondContact O-N 3.26Å; F553-S556 PolarHBondContact O-N 3.42Å; F553-S556 PolarHBondContact O-OG 2.87Å; F553-N557 WeakPolarHBondContact CE1-ND2 3.28Å; F553-N557 WeakPolarHBondContact CZ-ND2 3.39Å; F553-N557 VanDerWaalsContact O-CG 3.29Å; F553-N557 PolarHBondContact O-N 2.95Å; F553-N557 VanDerWaalsContact O-N 3.11Å; F553-N557 PolarHBondContact O-OD1 3.12Å
554N76.4Confident73.6Confident85 Ų8581.5 Ų81.546%0.45541%0.411SS..Hα-helixtrans-64.2-32.6174.3-69.8-6.8000111.3N550 T551 I558N550-N554 VanDerWaalsContact O-CG 3.26Å; N550-N554 PolarHBondContact O-N 3Å; N550-N554 PolarHBondContact O-OD1 3.07Å; T551-N554 PolarHBondContact O-N 3.49Å; N554-I558 WeakPolarHBondContact O-CD1 3.33Å; N554-I558 VanDerWaalsContact O-CG1 3.24Å; N554-I558 WeakPolarHBondContact O-CG1 3.26Å; N554-I558 PolarHBondContact O-N 2.92Å; N554-I558 VanDerWaalsContact O-N 3.1Å
555Q73.3Confident71.9Confident39 Ų3987 Ų8718%0.18245%0.445CS..Hα-helixtrans-64.1-47.4174.5-163.8170.5-12.100112.3L409 I410 N413 T551 D552 F553 N557 I558 I559L409-Q555 HydrophobicContact CD2-CB 3.36Å; L409-Q555 HydrophobicContact CD2-CG 3.57Å; I410-Q555 VanDerWaalsContact CG1-NE2 3.34Å; N413-Q555 PolarHBondContact ND2-OE1 2.82Å; T551-Q555 PolarHBondContact O-N 2.93Å; D552-Q555 WeakPolarHBondContact O-CB 3.04Å; D552-Q555 PolarHBondContact O-N 3.32Å; F553-Q555 PolarHBondContact O-N 3.26Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.46Å; Q555-I558 PolarHBondContact O-N 3.24Å; Q555-I559 HydrophobicContact CG-CD1 4Å; Q555-I559 WeakPolarHBondContact O-CG1 3.19Å; Q555-I559 PolarHBondContact O-N 2.85Å; Q555-I559 VanDerWaalsContact O-N 3.07Å
556S73.6Confident69.7Low46 Ų4689 Ų8932%0.32246%0.461SS..Hα-helixtrans-61.5-42.8178.952.30000111.3D552 F553 I558 I559 E560D552-S556 PolarHBondContact O-N 3.1Å; D552-S556 VanDerWaalsContact O-N 3.1Å; F553-S556 PolarHBondContact O-N 3.42Å; F553-S556 PolarHBondContact O-OG 2.87Å; S556-I558 VanDerWaalsContact C-N 3.34Å; S556-I558 PolarHBondContact O-N 3.16Å; S556-I559 PolarHBondContact O-N 3.36Å; S556-E560 WeakPolarHBondContact O-CG 3.48Å; S556-E560 PolarHBondContact O-N 2.75Å
557N72.6Confident67.4Low51 Ų5189.4 Ų89.427%0.27348%0.483SS..Hα-helixtrans-63.8-39.1178.6-64.2-1.9000112F553 Q555 I561F553-N557 WeakPolarHBondContact CE1-ND2 3.28Å; F553-N557 WeakPolarHBondContact CZ-ND2 3.39Å; F553-N557 VanDerWaalsContact O-CG 3.29Å; F553-N557 PolarHBondContact O-N 2.95Å; F553-N557 VanDerWaalsContact O-N 3.11Å; F553-N557 PolarHBondContact O-OD1 3.12Å; Q555-N557 VanDerWaalsContact C-N 3.32Å; Q555-N557 PolarHBondContact O-N 3.46Å; N557-I561 VanDerWaalsContact O-CD1 3.25Å; N557-I561 WeakPolarHBondContact O-CD1 3.43Å; N557-I561 WeakPolarHBondContact O-CG1 3.21Å; N557-I561 PolarHBondContact O-N 3.15Å; N557-I561 VanDerWaalsContact O-N 3.11Å
558I66.9Low66.6Low44 Ų4490.2 Ų90.223%0.22649%0.49CS..Hα-helixtrans-66.4-40.7177.1-69.2164.3000111.1L409 N554 Q555 S556 I561 V562L409-I558 HydrophobicContact CD1-CD1 3.98Å; N554-I558 WeakPolarHBondContact O-CD1 3.33Å; N554-I558 VanDerWaalsContact O-CG1 3.24Å; N554-I558 WeakPolarHBondContact O-CG1 3.26Å; N554-I558 PolarHBondContact O-N 2.92Å; N554-I558 VanDerWaalsContact O-N 3.1Å; Q555-I558 PolarHBondContact O-N 3.24Å; S556-I558 VanDerWaalsContact C-N 3.34Å; S556-I558 PolarHBondContact O-N 3.16Å; I558-I561 PolarHBondContact O-N 3.18Å; I558-V562 WeakPolarHBondContact O-CG2 2.97Å; I558-V562 PolarHBondContact O-N 3.34Å
559I64.1Low65.9Low76 Ų7694.5 Ų94.539%0.3951%0.513SS..Hα-helixtrans-65.4-45.4178-65.5165.5000110.2Q555 S556 I561 V562 D563Q555-I559 HydrophobicContact CG-CD1 4Å; Q555-I559 WeakPolarHBondContact O-CG1 3.19Å; Q555-I559 PolarHBondContact O-N 2.85Å; Q555-I559 VanDerWaalsContact O-N 3.07Å; S556-I559 PolarHBondContact O-N 3.36Å; I559-I561 PolarHBondContact O-N 3.05Å; I559-V562 PolarHBondContact O-N 2.92Å; I559-V562 VanDerWaalsContact O-N 3.09Å; I559-D563 WeakPolarHBondContact CG2-OD2 3.38Å; I559-D563 PolarHBondContact O-N 3.45Å
560E63.4Low64.8Low139 Ų13991.2 Ų91.265%0.6551%0.505SS*.Hα-helixtrans-61.4-27.2176.2-75.9178.7-171.700113.7S556 P564S556-E560 WeakPolarHBondContact O-CG 3.48Å; S556-E560 PolarHBondContact O-N 2.75Å; E560-P564 VanDerWaalsContact O-CD 3.3Å; E560-P564 WeakPolarHBondContact O-CD 3.4Å
561I62.3Low63.8Low127 Ų12790.6 Ų90.665%0.65150%0.503SS*.Hα-helixtrans-81-25.9176-66.9161.7000112.2N557 I558 I559 P564N557-I561 VanDerWaalsContact O-CD1 3.25Å; N557-I561 WeakPolarHBondContact O-CD1 3.43Å; N557-I561 WeakPolarHBondContact O-CG1 3.21Å; N557-I561 PolarHBondContact O-N 3.15Å; N557-I561 VanDerWaalsContact O-N 3.11Å; I558-I561 PolarHBondContact O-N 3.18Å; I559-I561 PolarHBondContact O-N 3.05Å; I561-P564 WeakPolarHBondContact O-CD 3.25Å; I561-P564 WeakPolarHBondContact O-CG 3.22Å
562V58.3Low62.9Low97 Ų9794.9 Ų94.959%0.58853%0.525SS*.Hα-helixtrans-86.9-31.9179.5174.90000111.9I558 I559 P564I558-V562 WeakPolarHBondContact O-CG2 2.97Å; I558-V562 PolarHBondContact O-N 3.34Å; I559-V562 PolarHBondContact O-N 2.92Å; I559-V562 VanDerWaalsContact O-N 3.09Å; V562-P564 WeakPolarHBondContact O-CD 3.1Å
563D56.5Low61.9Low110 Ų11097.3 Ų97.359%0.58854%0.539SS*.G310 helixtrans-73.4-13.7179.9-72.5-18.8000117.8I559 V565I559-D563 WeakPolarHBondContact CG2-OD2 3.38Å; I559-D563 PolarHBondContact O-N 3.45Å; D563-V565 PolarHBondContact O-N 2.83Å
564P52.6Low60.8Low78 Ų7895.4 Ų95.451%0.50654%0.539SS..G310 helixtrans-817.2-179.232-25.8000113.6E560 I561 V562E560-P564 VanDerWaalsContact O-CD 3.3Å; E560-P564 WeakPolarHBondContact O-CD 3.4Å; I561-P564 WeakPolarHBondContact O-CD 3.25Å; I561-P564 WeakPolarHBondContact O-CG 3.22Å; V562-P564 WeakPolarHBondContact O-CD 3.1Å
565V50.7Low59.6Low122 Ų12296.2 Ų96.274%0.73955%0.546SS*.G310 helixtrans-89.8-8.7174.6-176.60000112.5D563D563-V565 PolarHBondContact O-N 2.83Å
566N41.4Very low58.5Low164 Ų164101 Ų10188%0.87758%0.576SS**  trans-115.721.8-179.4-78.8-13.1000114.8
567S39.5Very low57.1Low158 Ų158106 Ų106100%1.10560%0.599SS**  trans-118.80162.264.90000109.4

Retrieved 567 of 567 residues in 854.6 ms (Link to these results)

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