A0A087XZH7_POEFO Loading...

Huntingtin-interacting protein 1-related protein

Component of clathrin-coated pits and vesicles, that may link the endocytic machinery to the actin cytoskeleton. Binds 3-phosphoinositides (via ENTH domain). May act through the ENTH domain to promote cell survival by stabilizing receptor tyrosine kinases following ligand-induced endocytosis.

AlphaFold DB , UniProt , Accession A0A087XZH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,013 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
1M55.5Low81.9Confident97 Ų9761.7 Ų61.748%0.47834%0.337SS..  0130.20-171.5178.6-111.600107.9I6 T28 L31 H35M1-I6 HydrophobicContact CG-CD1 4.33Å; M1-I6 HydrophobicContact CG-CG1 4.16Å; M1-I6 HydrophobicContact SD-CD1 3.99Å; M1-I6 HydrophobicContact SD-CG1 3.72Å; M1-T28 HydrophobicContact CE-CG2 3.79Å; M1-T28 HydrophobicContact SD-CG2 4.22Å; M1-L31 HydrophobicContact CE-CB 4.46Å; M1-H35 PolarHBondContact N-NE2 3.36Å
2D72.2Confident82.9Confident89 Ų8966.3 Ų66.348%0.47635%0.351SS..  trans-71.5128.3-179-178.60.2000110.8S4 K5 I6D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 PolarHBondContact OD1-N 3.25Å; D2-S4 VanDerWaalsContact OD1-N 3.08Å; D2-S4 PolarHBondContact OD1-OG 3.24Å; D2-S4 PolarHBondContact OD2-OG 3.05Å; D2-K5 HydrophobicContact CB-CD 4.14Å; D2-K5 HydrophobicContact CB-CG 4.08Å; D2-K5 WeakPolarHBondContact O-CB 3.31Å; D2-K5 PolarHBondContact O-N 3.46Å; D2-I6 PolarHBondContact O-N 3.31Å
3L71.4Confident83.8Confident100 Ų10061.2 Ų61.252%0.52432%0.324SS..Hα-helixtrans-55.9-31.9179.5-66.8172.4000111.8K5 I6 A7 E36L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 3.49Å; L3-I6 PolarHBondContact O-N 3.49Å; L3-A7 PolarHBondContact O-N 3.09Å; L3-A7 VanDerWaalsContact O-N 3.15Å; L3-E36 HydrophobicContact CD2-CG 4.17Å; L3-E36 WeakPolarHBondContact CD2-OE1 3.42Å
4S76.7Confident84.7Confident60 Ų6057 Ų5742%0.4230%0.302SS..Hα-helixtrans-61-40.4175.480.20000111.6D2 I6 A7 V8D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 PolarHBondContact OD1-N 3.25Å; D2-S4 VanDerWaalsContact OD1-N 3.08Å; D2-S4 PolarHBondContact OD1-OG 3.24Å; D2-S4 PolarHBondContact OD2-OG 3.05Å; S4-I6 PolarHBondContact O-N 3.12Å; S4-A7 PolarHBondContact O-N 2.96Å; S4-V8 VanDerWaalsContact O-CG2 3.28Å; S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.37Å
5K81.2Confident85.3Confident134 Ų13455.7 Ų55.758%0.58330%0.295SS*.Hα-helixtrans-69.5-33.9-179.5-65.9-178.5-179.8-1790112D2 L3 S9D2-K5 HydrophobicContact CB-CD 4.14Å; D2-K5 HydrophobicContact CB-CG 4.08Å; D2-K5 WeakPolarHBondContact O-CB 3.31Å; D2-K5 PolarHBondContact O-N 3.46Å; L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 3.49Å; K5-S9 WeakPolarHBondContact O-CB 3.43Å; K5-S9 PolarHBondContact O-N 3.43Å; K5-S9 PolarHBondContact O-OG 2.81Å
6I86.3Confident85.9Confident4 Ų457.6 Ų57.62%0.02131%0.31CS..Hα-helixtrans-67.2-49.4175.1-62.8170.1000109.7M1 D2 L3 S4 V8 S9 I10 E36 T41M1-I6 HydrophobicContact CG-CD1 4.33Å; M1-I6 HydrophobicContact CG-CG1 4.16Å; M1-I6 HydrophobicContact SD-CD1 3.99Å; M1-I6 HydrophobicContact SD-CG1 3.72Å; D2-I6 PolarHBondContact O-N 3.31Å; L3-I6 PolarHBondContact O-N 3.49Å; S4-I6 PolarHBondContact O-N 3.12Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.32Å; I6-S9 WeakPolarHBondContact O-CB 3.34Å; I6-S9 PolarHBondContact O-N 3.32Å; I6-S9 VanDerWaalsContact O-N 3.09Å; I6-I10 HydrophobicContact CG2-CD1 3.85Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.49Å; I6-I10 PolarHBondContact O-N 3.28Å; I6-E36 WeakPolarHBondContact CD1-OE1 3.39Å; I6-T41 HydrophobicContact CB-CG2 4.22Å; I6-T41 HydrophobicContact CG2-CG2 3.83Å
7A87.3Confident86.3Confident30 Ų3061.5 Ų61.525%0.24833%0.325CS..Hα-helixtrans-59.7-41.8177.900000112.8L3 S4 S9 I10 N11L3-A7 PolarHBondContact O-N 3.09Å; L3-A7 VanDerWaalsContact O-N 3.15Å; S4-A7 PolarHBondContact O-N 2.96Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.17Å; A7-I10 PolarHBondContact O-N 2.95Å; A7-N11 PolarHBondContact O-N 3.4Å; A7-N11 VanDerWaalsContact O-N 3.09Å; A7-N11 PolarHBondContact O-ND2 3.35Å
8V91Very high86.6Confident72 Ų7261.8 Ų61.844%0.43633%0.325SS..Hα-helixtrans-62.5-41.2174.2170.90000111.2S4 I6 N11 K12S4-V8 VanDerWaalsContact O-CG2 3.28Å; S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.37Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.32Å; V8-N11 PolarHBondContact O-N 3.02Å; V8-K12 HydrophobicContact CG1-CD 4.06Å; V8-K12 HydrophobicContact CG1-CG 4.46Å; V8-K12 WeakPolarHBondContact O-CB 3.45Å; V8-K12 WeakPolarHBondContact O-CG 3.37Å; V8-K12 PolarHBondContact O-N 2.98Å
9S92.3Very high86.9Confident13 Ų1361.1 Ų61.19%0.09132%0.323CS..Hα-helixtrans-66.7-38.1178.5-62.70000112.2K5 I6 A7 K12 A13 T28K5-S9 WeakPolarHBondContact O-CB 3.43Å; K5-S9 PolarHBondContact O-N 3.43Å; K5-S9 PolarHBondContact O-OG 2.81Å; I6-S9 WeakPolarHBondContact O-CB 3.34Å; I6-S9 PolarHBondContact O-N 3.32Å; I6-S9 VanDerWaalsContact O-N 3.09Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.17Å; S9-K12 PolarHBondContact O-N 3.37Å; S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.02Å; S9-T28 VanDerWaalsContact OG-CG2 3.31Å; S9-T28 WeakPolarHBondContact OG-CG2 3.27Å
10I93.6Very high87.1Confident1 Ų159.2 Ų59.21%0.00532%0.316CS..Hα-helixtrans-61.1-49174.5-66.3158.7000110.4I6 A7 K12 A13 I14 C29 T41 F42 A45 V46I6-I10 HydrophobicContact CG2-CD1 3.85Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 WeakPolarHBondContact O-CG1 3.49Å; I6-I10 PolarHBondContact O-N 3.28Å; A7-I10 PolarHBondContact O-N 2.95Å; I10-K12 VanDerWaalsContact C-N 3.3Å; I10-K12 PolarHBondContact O-N 3.01Å; I10-A13 PolarHBondContact O-N 3.4Å; I10-A13 VanDerWaalsContact O-N 3.17Å; I10-I14 HydrophobicContact CG2-CD1 3.96Å; I10-I14 PolarHBondContact O-N 3.15Å; I10-C29 VanDerWaalsContact CG1-SG 3.57Å; I10-T41 HydrophobicContact CD1-CG2 4.43Å; I10-F42 HydrophobicContact CD1-CB 4.41Å; I10-F42 HydrophobicContact CD1-CD2 4.28Å; I10-F42 HydrophobicContact CG1-CD2 4.26Å; I10-A45 HydrophobicContact CB-CB 4.33Å; I10-A45 HydrophobicContact CD1-CB 3.97Å; I10-A45 HydrophobicContact CG2-CB 3.94Å; I10-V46 HydrophobicContact CG2-CG2 4.26Å
11N93.4Very high87.3Confident79 Ų7957 Ų5742%0.42231%0.305SS..Hα-helixtrans-64.6-33.6178.2-71.9-39000112.7A7 V8 I14A7-N11 PolarHBondContact O-N 3.4Å; A7-N11 VanDerWaalsContact O-N 3.09Å; A7-N11 PolarHBondContact O-ND2 3.35Å; V8-N11 PolarHBondContact O-N 3.02Å; N11-I14 CarbonylContact O-C 3.56Å
12K94.3Very high89Confident116 Ų11658.5 Ų58.550%0.50431%0.309SS..Hα-helixtrans-72.5-32.7174.2-74.2-178.9179.8-179.50112.5V8 S9 I10 N15V8-K12 HydrophobicContact CG1-CD 4.06Å; V8-K12 HydrophobicContact CG1-CG 4.46Å; V8-K12 WeakPolarHBondContact O-CB 3.45Å; V8-K12 WeakPolarHBondContact O-CG 3.37Å; V8-K12 PolarHBondContact O-N 2.98Å; S9-K12 PolarHBondContact O-N 3.37Å; I10-K12 VanDerWaalsContact C-N 3.3Å; I10-K12 PolarHBondContact O-N 3.01Å; K12-N15 PolarHBondContact O-ND2 3.38Å
13A93.8Very high89.7Confident1 Ų158.5 Ų58.51%0.00831%0.306CS..Hα-helixtrans-76.7-43176.900000112.1S9 I10 V21 H25 K60 V64S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.02Å; I10-A13 PolarHBondContact O-N 3.4Å; I10-A13 VanDerWaalsContact O-N 3.17Å; A13-V21 HydrophobicContact CB-CG1 3.95Å; A13-H25 HydrophobicContact CB-CB 3.97Å; A13-K60 WeakPolarHBondContact O-CE 3.44Å; A13-V64 HydrophobicContact CB-CG2 3.95Å
14I96.4Very high90.5Very high2 Ų260.1 Ų60.11%0.0131%0.309CS..SBendtrans-104.881.8-178-48.7174.3000108.4I10 N11 F42 V46 L49 L51 L57 K60 F61 V64I10-I14 HydrophobicContact CG2-CD1 3.96Å; I10-I14 PolarHBondContact O-N 3.15Å; N11-I14 CarbonylContact O-C 3.56Å; I14-F42 HydrophobicContact CD1-CE2 4.12Å; I14-V46 HydrophobicContact CD1-CG2 3.87Å; I14-L49 HydrophobicContact CB-CD1 3.87Å; I14-L49 HydrophobicContact CD1-CD1 4.3Å; I14-L49 HydrophobicContact CG2-CD1 3.62Å; I14-L51 HydrophobicContact CG2-CD2 4.42Å; I14-L57 HydrophobicContact CG2-CD2 3.95Å; I14-L57 VanDerWaalsContact O-CD2 3.3Å; I14-L57 WeakPolarHBondContact O-CD2 3.24Å; I14-K60 HydrophobicContact CG2-CB 4.5Å; I14-F61 HydrophobicContact CD1-CB 4.27Å; I14-F61 HydrophobicContact CD1-CD2 4.35Å; I14-F61 HydrophobicContact CG2-CB 4.01Å; I14-V64 HydrophobicContact CD1-CB 4.36Å; I14-V64 HydrophobicContact CD1-CG1 4.49Å; I14-V64 HydrophobicContact CG1-CB 4.26Å; I14-V64 HydrophobicContact CG1-CG2 4Å
15N94.4Very high91.3Very high37 Ų3758.5 Ų58.520%0.19830%0.295CS..  trans-125.2171.4-179.469.543.9000111.6K12 Q17 L57 K60K12-N15 PolarHBondContact O-ND2 3.38Å; N15-Q17 VanDerWaalsContact C-N 3.27Å; N15-Q17 PolarHBondContact O-N 2.94Å; N15-Q17 VanDerWaalsContact OD1-CB 3.29Å; N15-Q17 WeakPolarHBondContact OD1-CB 3.49Å; N15-Q17 PolarHBondContact OD1-N 2.93Å; N15-Q17 PolarHBondContact OD1-O 2.91Å; N15-L57 VanDerWaalsContact CA-CD2 3.44Å; N15-L57 WeakPolarHBondContact O-CD2 3.37Å; N15-K60 WeakPolarHBondContact O-CD 3.43Å; N15-K60 PolarHBondContact OD1-NZ 3.04Å
16T94.2Very high91.8Very high87 Ų8752.2 Ų52.253%0.53427%0.267SS..SBendtrans-78.5-6.2-177.453.30000114.2N54 L57T16-N54 WeakPolarHBondContact CG2-ND2 3.41Å; T16-L57 HydrophobicContact CG2-CD1 3.62Å; T16-L57 HydrophobicContact CG2-CD2 4.27Å; T16-L57 HydrophobicContact CG2-CG 3.79Å
17Q92.9Very high92Very high123 Ų12359.6 Ų59.658%0.57530%0.295SS*.SBendtrans-76.7127-178.5-59.3178.8-1600110.3N15 V19 K60N15-Q17 VanDerWaalsContact C-N 3.27Å; N15-Q17 PolarHBondContact O-N 2.94Å; N15-Q17 VanDerWaalsContact OD1-CB 3.29Å; N15-Q17 WeakPolarHBondContact OD1-CB 3.49Å; N15-Q17 PolarHBondContact OD1-N 2.93Å; N15-Q17 PolarHBondContact OD1-O 2.91Å; Q17-V19 HydrophobicContact CB-CG2 4.07Å; Q17-V19 PolarHBondContact O-N 3.48Å; Q17-K60 PolarHBondContact O-NZ 3.13Å
18E92.4Very high92.3Very high68 Ų6859.7 Ų59.732%0.31829%0.293SS..  trans-77.362179.2-157.7-173.5176.400111.6Y101 A182 A183 C186 R187E18-Y101 HydrophobicContact CG-CE2 4.09Å; E18-Y101 WeakPolarHBondContact CG-OH 3.44Å; E18-Y101 WeakPolarHBondContact OE1-CE2 3.39Å; E18-Y101 VanDerWaalsContact OE1-CZ 3.31Å; E18-Y101 PolarHBondContact OE1-OH 3Å; E18-A182 CarbonylContact O-C 3.57Å; E18-A183 VanDerWaalsContact CD-CB 3.49Å; E18-A183 HydrophobicContact CG-CB 4.07Å; E18-A183 PolarHBondContact O-N 2.91Å; E18-A183 WeakPolarHBondContact OE1-CB 3.27Å; E18-C186 HydrophobicContact CG-CB 4.25Å; E18-R187 IonicContact OE1-CZ 3.91Å; E18-R187 IonicContact OE1-NE 2.78Å; E18-R187 IonicContact OE1-NH2 2.91Å; E18-R187 PolarHBondContact OE1-NH2 3.4Å
19V92.4Very high92.4Very high48 Ų4856.4 Ų56.429%0.29127%0.273SS..SBendtrans-133150.8177.9-55.30000108.8Q17 K60 A182Q17-V19 HydrophobicContact CB-CG2 4.07Å; Q17-V19 PolarHBondContact O-N 3.48Å; V19-K60 WeakPolarHBondContact O-CE 3.47Å; V19-K60 PolarHBondContact O-NZ 2.87Å; V19-K60 VanDerWaalsContact O-NZ 3.16Å; V19-A182 HydrophobicContact CG1-CB 3.99Å
20A89.9Confident92.4Very high22 Ų2256.9 Ų56.918%0.18227%0.274CS..PPolyproline II helixtrans-52.7145176.300000111.7K22 Q185 A189A20-K22 PolarHBondContact O-N 3.36Å; A20-Q185 HydrophobicContact CB-CB 4.24Å; A20-A189 HydrophobicContact CB-CB 4.26Å
21V92.2Very high92.3Very high13 Ų1360.8 Ų60.88%0.07930%0.295CS..PPolyproline II helixtrans-64.4124.8177.5178.70000108.4A13 E23 A26 K60 V64A13-V21 HydrophobicContact CB-CG1 3.95Å; V21-E23 PolarHBondContact O-N 2.93Å; V21-A26 HydrophobicContact CG1-CB 4.21Å; V21-K60 HydrophobicContact CG2-CB 4.19Å; V21-K60 HydrophobicContact CG2-CG 4.14Å; V21-V64 HydrophobicContact CG1-CG2 3.91Å; V21-V64 HydrophobicContact CG2-CG2 4.25Å
22K89.8Confident92.2Very high130 Ų13057.1 Ų57.157%0.56528%0.275SS*.PPolyproline II helixtrans-67.2124.1178.1-65.7-173.7176.5-172.70110.2A20 K24 H25 A26A20-K22 PolarHBondContact O-N 3.36Å; K22-K24 VanDerWaalsContact C-N 3.27Å; K22-K24 HydrophobicContact CB-CG 4.47Å; K22-K24 PolarHBondContact O-N 3.38Å; K22-H25 PolarHBondContact O-N 2.9Å; K22-A26 PolarHBondContact O-N 3.27Å
23E88.4Confident92.2Very high89 Ų8951.8 Ų51.842%0.41625%0.252SS..Hα-helixtrans-56.7-37.4-175.7-75.4-62.6159.300113V21 H25 A26 R27 K67V21-E23 PolarHBondContact O-N 2.93Å; E23-H25 PolarHBondContact O-N 3.05Å; E23-A26 PolarHBondContact O-N 2.96Å; E23-R27 VanDerWaalsContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.46Å; E23-K67 IonicContact OE1-NZ 3.62Å; E23-K67 PolarHBondContact OE1-NZ 3.46Å; E23-K67 IonicContact OE2-NZ 2.71Å; E23-K67 PolarHBondContact OE2-NZ 3.02Å
24K88.3Confident92.2Very high133 Ų13355.6 Ų55.658%0.57827%0.27SS*.Hα-helixtrans-55.9-37.6176.471.9-178.4-179.8-174.90113.6K22 T28K22-K24 VanDerWaalsContact C-N 3.27Å; K22-K24 HydrophobicContact CB-CG 4.47Å; K22-K24 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-N 2.93Å; K24-T28 PolarHBondContact O-OG1 2.85Å
25H92.4Very high91.9Very high27 Ų2760.8 Ų60.813%0.12529%0.294CS..Hα-helixtrans-79.4-39.1179.7-64.4-48.1000111.4A13 K22 E23 T28 C29A13-H25 HydrophobicContact CB-CB 3.97Å; K22-H25 PolarHBondContact O-N 2.9Å; E23-H25 PolarHBondContact O-N 3.05Å; H25-T28 PolarHBondContact O-N 3.18Å; H25-C29 PolarHBondContact O-N 3.38Å; H25-C29 PolarHBondContact O-SG 2.89Å
26A91.9Very high91.8Very high1 Ų161 Ų611%0.00829%0.293CS..Hα-helixtrans-61.5-44.4173.700000111.5V21 K22 E23 T28 C29 I30 K67V21-A26 HydrophobicContact CG1-CB 4.21Å; K22-A26 PolarHBondContact O-N 3.27Å; E23-A26 PolarHBondContact O-N 2.96Å; A26-T28 PolarHBondContact O-N 2.85Å; A26-C29 WeakPolarHBondContact O-CB 3.46Å; A26-C29 PolarHBondContact O-N 2.66Å; A26-C29 VanDerWaalsContact O-N 3.1Å; A26-I30 WeakPolarHBondContact O-CG1 3.45Å; A26-I30 PolarHBondContact O-N 3.29Å; A26-K67 HydrophobicContact CB-CD 3.96Å
27R91.2Very high91.7Very high160 Ų16063.7 Ų63.760%0.60430%0.298SS*.Hα-helixtrans-59.5-44.5175.2-173.9173.7-179.7169.8-0.5112E23 C29 I30 L31E23-R27 VanDerWaalsContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CB 3.45Å; E23-R27 PolarHBondContact O-N 3.46Å; R27-C29 VanDerWaalsContact C-N 3.3Å; R27-C29 PolarHBondContact O-N 3.42Å; R27-I30 PolarHBondContact O-N 3.39Å; R27-L31 HydrophobicContact CG-CD1 4.08Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 WeakPolarHBondContact O-CB 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.4Å; R27-L31 PolarHBondContact O-N 2.94Å
28T92.9Very high91.7Very high32 Ų3257.9 Ų57.920%0.19627%0.27CS..Hα-helixtrans-61.2-38.2174.1-62.40000112.2M1 S9 K24 H25 A26 G32M1-T28 HydrophobicContact CE-CG2 3.79Å; M1-T28 HydrophobicContact SD-CG2 4.22Å; S9-T28 VanDerWaalsContact OG-CG2 3.31Å; S9-T28 WeakPolarHBondContact OG-CG2 3.27Å; K24-T28 PolarHBondContact O-N 2.93Å; K24-T28 PolarHBondContact O-OG1 2.85Å; H25-T28 PolarHBondContact O-N 3.18Å; A26-T28 PolarHBondContact O-N 2.85Å; T28-G32 PolarHBondContact O-N 3.4Å
29C92.5Very high91.8Very high3 Ų354.6 Ų54.62%0.0226%0.255CS..Hα-helixtrans-63.7-45.6175.1-61.50000111.4I10 H25 A26 R27 G32 T33 L68I10-C29 VanDerWaalsContact CG1-SG 3.57Å; H25-C29 PolarHBondContact O-N 3.38Å; H25-C29 PolarHBondContact O-SG 2.89Å; A26-C29 WeakPolarHBondContact O-CB 3.46Å; A26-C29 PolarHBondContact O-N 2.66Å; A26-C29 VanDerWaalsContact O-N 3.1Å; R27-C29 VanDerWaalsContact C-N 3.3Å; R27-C29 PolarHBondContact O-N 3.42Å; C29-G32 PolarHBondContact O-N 3.29Å; C29-T33 WeakPolarHBondContact O-CG2 3.29Å; C29-T33 PolarHBondContact O-N 2.88Å; C29-T33 VanDerWaalsContact O-N 3.15Å; C29-L68 HydrophobicContact CB-CD1 3.9Å
30I93.6Very high91.7Very high23 Ų2357 Ų5712%0.11826%0.263CS..Hα-helixtrans-60-53.1177.1-66.6163.4000110.7A26 R27 G32 T33 H34 K67 L68 D71A26-I30 WeakPolarHBondContact O-CG1 3.45Å; A26-I30 PolarHBondContact O-N 3.29Å; R27-I30 PolarHBondContact O-N 3.39Å; I30-G32 PolarHBondContact O-N 2.85Å; I30-T33 PolarHBondContact O-N 3.37Å; I30-T33 PolarHBondContact O-OG1 3.01Å; I30-H34 PolarHBondContact O-CD2 3.46Å; I30-H34 PolarHBondContact O-N 3.45Å; I30-K67 HydrophobicContact CD1-CB 4.34Å; I30-L68 HydrophobicContact CG1-CD1 4Å; I30-D71 HydrophobicContact CD1-CB 4.19Å; I30-D71 HydrophobicContact CG2-CB 4.18Å; I30-D71 VanDerWaalsContact CG2-O 3.29Å; I30-D71 WeakPolarHBondContact CG2-O 3.4Å
31L91.3Very high91.8Very high83 Ų8357.2 Ų57.244%0.43526%0.262SS..Hα-helixtrans-59.4-36.4178.3-69.1174.8000111.9M1 R27 T33 H34 H35M1-L31 HydrophobicContact CE-CB 4.46Å; R27-L31 HydrophobicContact CG-CD1 4.08Å; R27-L31 HydrophobicContact CG-CG 4.41Å; R27-L31 WeakPolarHBondContact O-CB 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.4Å; R27-L31 PolarHBondContact O-N 2.94Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.17Å; L31-H34 PolarHBondContact O-N 3.17Å; L31-H35 PolarHBondContact O-N 2.94Å
32G91.6Very high92Very high1 Ų156.9 Ų56.91%0.0126%0.26CS..Hα-helixtrans-57.5-43173.200000112.6T28 C29 I30 H34 H35 E36T28-G32 PolarHBondContact O-N 3.4Å; C29-G32 PolarHBondContact O-N 3.29Å; I30-G32 PolarHBondContact O-N 2.85Å; G32-H34 VanDerWaalsContact C-N 3.32Å; G32-H34 PolarHBondContact O-N 3.47Å; G32-H35 PolarHBondContact O-N 3.49Å; G32-E36 PolarHBondContact O-N 2.96Å
33T94.4Very high92.3Very high4 Ų451.1 Ų51.13%0.02523%0.234CC..Hα-helixtrans-64.6-34.5177.569.20000113.3C29 I30 L31 K37 G38 L68 G72 H73 V76C29-T33 WeakPolarHBondContact O-CG2 3.29Å; C29-T33 PolarHBondContact O-N 2.88Å; C29-T33 VanDerWaalsContact O-N 3.15Å; I30-T33 PolarHBondContact O-N 3.37Å; I30-T33 PolarHBondContact O-OG1 3.01Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-T33 PolarHBondContact O-N 3.17Å; T33-K37 CarbonylContact O-C 3.58Å; T33-K37 VanDerWaalsContact O-CA 3.32Å; T33-K37 WeakPolarHBondContact O-CA 3.31Å; T33-K37 PolarHBondContact O-N 2.86Å; T33-G38 VanDerWaalsContact CA-O 3.27Å; T33-G38 WeakPolarHBondContact CA-O 3.4Å; T33-G38 WeakPolarHBondContact CB-O 3.5Å; T33-G38 PolarHBondContact O-N 2.88Å; T33-L68 HydrophobicContact CG2-CD2 3.76Å; T33-L68 HydrophobicContact CG2-CG 3.98Å; T33-G72 WeakPolarHBondContact OG1-CA 3.28Å; T33-H73 VanDerWaalsContact O-CB 3.29Å; T33-H73 WeakPolarHBondContact O-CB 3.46Å; T33-H73 PolarHBondContact OG1-N 2.82Å; T33-V76 HydrophobicContact CG2-CG2 3.78Å
34H92.5Very high92.5Very high82 Ų8249.4 Ų49.438%0.3824%0.236SC..Hα-helixtrans-71-39.3175.2-74.9-76.3000111.9I30 L31 G32 K37 D71 H73I30-H34 PolarHBondContact O-CD2 3.46Å; I30-H34 PolarHBondContact O-N 3.45Å; L31-H34 PolarHBondContact O-N 3.17Å; G32-H34 VanDerWaalsContact C-N 3.32Å; G32-H34 PolarHBondContact O-N 3.47Å; H34-K37 PolarHBondContact O-N 2.94Å; H34-D71 PolarHBondContact NE2-O 2.91Å; H34-H73 AromaticContact ND1-CD2 3.98Å
35H91.1Very high92.8Very high111 Ų11143.6 Ų43.651%0.51421%0.213SC..Hα-helixtrans-65.2-41.3175.9-175.5-83.3000112.3M1 L31 G32M1-H35 PolarHBondContact N-NE2 3.36Å; L31-H35 PolarHBondContact O-N 2.94Å; G32-H35 PolarHBondContact O-N 3.49Å
36E91.6Very high92.9Very high40 Ų4042.4 Ų42.419%0.18721%0.207CC..Hα-helixtrans-86.2-7.7178.7-67177.5-169.200113.9L3 I6 G32 G38 T41L3-E36 HydrophobicContact CD2-CG 4.17Å; L3-E36 WeakPolarHBondContact CD2-OE1 3.42Å; I6-E36 WeakPolarHBondContact CD1-OE1 3.39Å; G32-E36 PolarHBondContact O-N 2.96Å; E36-G38 PolarHBondContact O-N 3.49Å; E36-T41 WeakPolarHBondContact OE1-CB 3.48Å; E36-T41 PolarHBondContact OE1-OG1 3.39Å; E36-T41 VanDerWaalsContact OE2-CB 3.28Å; E36-T41 WeakPolarHBondContact OE2-CB 3.48Å; E36-T41 PolarHBondContact OE2-N 2.97Å; E36-T41 PolarHBondContact OE2-OG1 3.32Å
37K93.3Very high92.9Very high145 Ų14547.4 Ų47.463%0.6323%0.234SC*.THydrogen-bonded Turntrans56.531.9-173.7-57.4-177.6178.2-179.90114.4T33 H34 H73 N75T33-K37 CarbonylContact O-C 3.58Å; T33-K37 VanDerWaalsContact O-CA 3.32Å; T33-K37 WeakPolarHBondContact O-CA 3.31Å; T33-K37 PolarHBondContact O-N 2.86Å; H34-K37 PolarHBondContact O-N 2.94Å; K37-H73 PolarHBondContact O-CE1 3.29Å; K37-H73 PolarHBondContact O-ND1 3.18Å; K37-N75 WeakPolarHBondContact O-CB 3.5Å; K37-N75 PolarHBondContact O-ND2 3.37Å
38G92.2Very high93Very high0 Ų050.1 Ų50.10%024%0.244CC..SBendtrans176.1-172.6-175.700000113.2T33 E36 D79T33-G38 VanDerWaalsContact CA-O 3.27Å; T33-G38 WeakPolarHBondContact CA-O 3.4Å; T33-G38 WeakPolarHBondContact CB-O 3.5Å; T33-G38 PolarHBondContact O-N 2.88Å; E36-G38 PolarHBondContact O-N 3.49Å; G38-D79 WeakPolarHBondContact CA-OD2 3.2Å
39A93.7Very high93Very high0 Ų050.1 Ų50.10%024%0.243CC..SBendtrans-108.424.4-177.500000113.6F42 W43 V76 D79A39-F42 HydrophobicContact CB-CB 4.49Å; A39-F42 PolarHBondContact O-N 3.47Å; A39-W43 PolarHBondContact O-N 3.32Å; A39-W43 VanDerWaalsContact O-N 3.07Å; A39-V76 HydrophobicContact CB-CB 4.32Å; A39-V76 HydrophobicContact CB-CG1 4.1Å; A39-V76 HydrophobicContact CB-CG2 4.1Å; A39-D79 HydrophobicContact CB-CB 4.32Å; A39-D79 PolarHBondContact N-OD2 2.86Å
40H91.4Very high93Very high99 Ų9953.1 Ų53.146%0.45826%0.262SS..Hα-helixtrans-61.5-55.2-170.9-62.5-72.4000112.9F42 W43 A44 D79H40-F42 VanDerWaalsContact C-N 3.3Å; H40-F42 PolarHBondContact O-N 3.36Å; H40-W43 PolarHBondContact O-N 2.76Å; H40-A44 WeakPolarHBondContact O-CB 3.36Å; H40-A44 PolarHBondContact O-N 3.34Å; H40-D79 IonicContact NE2-OD2 3.92Å
41T92.1Very high93Very high26 Ų2652.5 Ų52.516%0.1626%0.259CS..Hα-helixtrans-65.6-34.5179.7-620000112.1I6 I10 E36 A44 A45I6-T41 HydrophobicContact CB-CG2 4.22Å; I6-T41 HydrophobicContact CG2-CG2 3.83Å; I10-T41 HydrophobicContact CD1-CG2 4.43Å; E36-T41 WeakPolarHBondContact OE1-CB 3.48Å; E36-T41 PolarHBondContact OE1-OG1 3.39Å; E36-T41 VanDerWaalsContact OE2-CB 3.28Å; E36-T41 WeakPolarHBondContact OE2-CB 3.48Å; E36-T41 PolarHBondContact OE2-N 2.97Å; E36-T41 PolarHBondContact OE2-OG1 3.32Å; T41-A44 PolarHBondContact O-N 3.2Å; T41-A45 WeakPolarHBondContact O-CB 3.25Å; T41-A45 PolarHBondContact O-N 2.89Å
42F95.6Very high93Very high6 Ų651.6 Ų51.63%0.02626%0.259CS..Hα-helixtrans-57-55.6175178.5-102.4000111.6I10 I14 A39 H40 A44 A45 V46 F61 V64 F65 L68I10-F42 HydrophobicContact CD1-CB 4.41Å; I10-F42 HydrophobicContact CD1-CD2 4.28Å; I10-F42 HydrophobicContact CG1-CD2 4.26Å; I14-F42 HydrophobicContact CD1-CE2 4.12Å; A39-F42 HydrophobicContact CB-CB 4.49Å; A39-F42 PolarHBondContact O-N 3.47Å; H40-F42 VanDerWaalsContact C-N 3.3Å; H40-F42 PolarHBondContact O-N 3.36Å; F42-A44 PolarHBondContact O-N 2.92Å; F42-A45 PolarHBondContact O-N 2.85Å; F42-V46 HydrophobicContact CD1-CG2 4.29Å; F42-V46 HydrophobicContact CD2-CG2 4.1Å; F42-V46 HydrophobicContact CE1-CG2 3.96Å; F42-V46 HydrophobicContact CE2-CG2 3.75Å; F42-V46 HydrophobicContact CG-CG2 4.37Å; F42-V46 HydrophobicContact CZ-CG2 3.68Å; F42-V46 WeakPolarHBondContact O-CB 3.45Å; F42-V46 VanDerWaalsContact O-CG2 3.26Å; F42-V46 WeakPolarHBondContact O-CG2 3.27Å; F42-V46 PolarHBondContact O-N 3.47Å; F42-F61 HydrophobicContact CE1-CE2 4.02Å; F42-F61 HydrophobicContact CZ-CD2 4.07Å; F42-F61 AromaticContact CZ-CE2 3.93Å; F42-F61 HydrophobicContact CZ-CE2 3.93Å; F42-V64 HydrophobicContact CE2-CG1 3.84Å; F42-F65 HydrophobicContact CD1-CD2 4.49Å; F42-F65 HydrophobicContact CE1-CB 4.31Å; F42-F65 AromaticContact CE1-CD2 3.62Å; F42-F65 HydrophobicContact CE1-CD2 3.62Å; F42-F65 HydrophobicContact CE1-CE2 4.36Å; F42-F65 HydrophobicContact CE1-CG 4.18Å; F42-F65 HydrophobicContact CZ-CB 3.99Å; F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CG 4.37Å; F42-L68 HydrophobicContact CB-CD2 4.09Å; F42-L68 HydrophobicContact CD1-CD2 3.96Å; F42-L68 HydrophobicContact CD2-CD2 3.52Å; F42-L68 HydrophobicContact CE1-CD2 4.26Å; F42-L68 HydrophobicContact CE2-CD2 3.86Å; F42-L68 HydrophobicContact CG-CD2 3.57Å; F42-L68 HydrophobicContact CZ-CD2 4.21Å
43W95.4Very high92.9Very high8 Ų855.9 Ų55.93%0.0329%0.289CS..Hα-helixtrans-67.5-35179.9-74.1113.9000113A39 H40 A45 V46 N47 F61 F65 S80 N83 L87A39-W43 PolarHBondContact O-N 3.32Å; A39-W43 VanDerWaalsContact O-N 3.07Å; H40-W43 PolarHBondContact O-N 2.76Å; W43-A45 VanDerWaalsContact C-N 3.3Å; W43-A45 PolarHBondContact O-N 3.2Å; W43-V46 HydrophobicContact CE3-CB 4.49Å; W43-V46 HydrophobicContact CE3-CG1 4.27Å; W43-V46 HydrophobicContact CZ3-CG1 4.27Å; W43-V46 PolarHBondContact O-N 3.4Å; W43-N47 VanDerWaalsContact O-CB 3.26Å; W43-N47 WeakPolarHBondContact O-CB 3.31Å; W43-N47 PolarHBondContact O-N 3.01Å; W43-N47 PolarHBondContact O-ND2 3.35Å; W43-N47 PolarHBondContact O-OD1 3.04Å; W43-F61 HydrophobicContact CH2-CE2 4.16Å; W43-F61 AromaticContact CH2-CZ 3.91Å; W43-F61 HydrophobicContact CH2-CZ 3.91Å; W43-F61 HydrophobicContact CZ3-CE2 4.14Å; W43-F61 HydrophobicContact CZ3-CZ 4.11Å; W43-F65 HydrophobicContact CH2-CE1 4.24Å; W43-F65 HydrophobicContact CH2-CE2 4.46Å; W43-F65 HydrophobicContact CH2-CZ 4.21Å; W43-F65 HydrophobicContact CZ2-CD2 4.24Å; W43-F65 HydrophobicContact CZ2-CE1 4.04Å; W43-F65 AromaticContact CZ2-CE2 3.63Å; W43-F65 HydrophobicContact CZ2-CE2 3.63Å; W43-F65 AromaticContact CZ2-CZ 3.55Å; W43-F65 HydrophobicContact CZ2-CZ 3.55Å; W43-S80 PolarHBondContact NE1-OG 3.32Å; W43-N83 HydrophobicContact CE3-CB 4.35Å; W43-N83 VanDerWaalsContact CE3-ND2 3.26Å; W43-N83 HydrophobicContact CH2-CB 3.92Å; W43-N83 HydrophobicContact CZ2-CB 4.27Å; W43-N83 HydrophobicContact CZ3-CB 3.97Å; W43-L87 HydrophobicContact CH2-CD1 4.26Å; W43-L87 HydrophobicContact CH2-CD2 4.3Å
44A93.1Very high92.8Very high54 Ų5457.9 Ų57.945%0.44630%0.3SS..Hα-helixtrans-62.3-36.6175.800000112.7H40 T41 F42H40-A44 WeakPolarHBondContact O-CB 3.36Å; H40-A44 PolarHBondContact O-N 3.34Å; T41-A44 PolarHBondContact O-N 3.2Å; F42-A44 PolarHBondContact O-N 2.92Å
45A94Very high92.9Very high11 Ų1155 Ų559%0.09129%0.29CS..Hα-helixtrans-77-47.9175.200000111.8I10 T41 F42 W43 N47 R48I10-A45 HydrophobicContact CB-CB 4.33Å; I10-A45 HydrophobicContact CD1-CB 3.97Å; I10-A45 HydrophobicContact CG2-CB 3.94Å; T41-A45 WeakPolarHBondContact O-CB 3.25Å; T41-A45 PolarHBondContact O-N 2.89Å; F42-A45 PolarHBondContact O-N 2.85Å; W43-A45 VanDerWaalsContact C-N 3.3Å; W43-A45 PolarHBondContact O-N 3.2Å; A45-N47 VanDerWaalsContact C-N 3.33Å; A45-N47 PolarHBondContact O-N 2.85Å; A45-R48 WeakPolarHBondContact O-CB 3.48Å; A45-R48 PolarHBondContact O-N 2.81Å; A45-R48 VanDerWaalsContact O-N 3.08Å
46V94.4Very high93.1Very high2 Ų250.7 Ų50.71%0.01227%0.272CS..Hα-helixtrans-61.6-39-177.3167.30000112.4I10 I14 F42 W43 R48 L49 L51 F61I10-V46 HydrophobicContact CG2-CG2 4.26Å; I14-V46 HydrophobicContact CD1-CG2 3.87Å; F42-V46 HydrophobicContact CD1-CG2 4.29Å; F42-V46 HydrophobicContact CD2-CG2 4.1Å; F42-V46 HydrophobicContact CE1-CG2 3.96Å; F42-V46 HydrophobicContact CE2-CG2 3.75Å; F42-V46 HydrophobicContact CG-CG2 4.37Å; F42-V46 HydrophobicContact CZ-CG2 3.68Å; F42-V46 WeakPolarHBondContact O-CB 3.45Å; F42-V46 VanDerWaalsContact O-CG2 3.26Å; F42-V46 WeakPolarHBondContact O-CG2 3.27Å; F42-V46 PolarHBondContact O-N 3.47Å; W43-V46 HydrophobicContact CE3-CB 4.49Å; W43-V46 HydrophobicContact CE3-CG1 4.27Å; W43-V46 HydrophobicContact CZ3-CG1 4.27Å; W43-V46 PolarHBondContact O-N 3.4Å; V46-R48 PolarHBondContact O-N 3.38Å; V46-L49 WeakPolarHBondContact O-CB 3.42Å; V46-L49 PolarHBondContact O-N 3.45Å; V46-L51 HydrophobicContact CG1-CD1 3.67Å; V46-F61 HydrophobicContact CG1-CD2 3.66Å; V46-F61 HydrophobicContact CG1-CE2 3.65Å; V46-F61 HydrophobicContact CG2-CD2 4.11Å; V46-F61 HydrophobicContact CG2-CE2 4.38Å
47N92.6Very high93.3Very high106 Ų10649.2 Ų49.257%0.56727%0.265SS*.THydrogen-bonded Turntrans-64.9-11.9178.9-70.9-4.7000113.4W43 A45W43-N47 VanDerWaalsContact O-CB 3.26Å; W43-N47 WeakPolarHBondContact O-CB 3.31Å; W43-N47 PolarHBondContact O-N 3.01Å; W43-N47 PolarHBondContact O-ND2 3.35Å; W43-N47 PolarHBondContact O-OD1 3.04Å; A45-N47 VanDerWaalsContact C-N 3.33Å; A45-N47 PolarHBondContact O-N 2.85Å
48R92.8Very high93.5Very high216 Ų21642.3 Ų42.382%0.81524%0.235SC*.THydrogen-bonded Turntrans-93.7-7.8173.4-59.1176.8-177.9-174.5-0.5112.9A45 V46A45-R48 WeakPolarHBondContact O-CB 3.48Å; A45-R48 PolarHBondContact O-N 2.81Å; A45-R48 VanDerWaalsContact O-N 3.08Å; V46-R48 PolarHBondContact O-N 3.38Å
49L93.6Very high93.7Very high33 Ų3342.4 Ų42.417%0.17324%0.235CC..SBendtrans-86.7141.2179.6-61.9178.1000110.7I14 V46 L51I14-L49 HydrophobicContact CB-CD1 3.87Å; I14-L49 HydrophobicContact CD1-CD1 4.3Å; I14-L49 HydrophobicContact CG2-CD1 3.62Å; V46-L49 WeakPolarHBondContact O-CB 3.42Å; V46-L49 PolarHBondContact O-N 3.45Å; L49-L51 HydrophobicContact CB-CD2 3.94Å; L49-L51 HydrophobicContact CB-CG 4.19Å; L49-L51 HydrophobicContact CD1-CD2 4.5Å; L49-L51 PolarHBondContact O-N 3.25Å
50P93.4Very high93.9Very high65 Ų6542.5 Ų42.542%0.42224%0.236SC..  trans-80.262-179.835.2-37.4000111.4S52 S53 N54 L57P50-S52 PolarHBondContact O-N 3.04Å; P50-S53 WeakPolarHBondContact CB-OG 3.4Å; P50-S53 PolarHBondContact O-N 2.73Å; P50-S53 PolarHBondContact O-OG 3.21Å; P50-N54 PolarHBondContact O-N 3.47Å; P50-L57 HydrophobicContact CG-CD1 3.93Å
51L93.9Very high94.2Very high11 Ų1137.9 Ų37.96%0.05821%0.214CC..THydrogen-bonded Turntrans-65.2-25-175.3-61.6-172.4000113.8I14 V46 L49 L57 C58 F61 M90 W94I14-L51 HydrophobicContact CG2-CD2 4.42Å; V46-L51 HydrophobicContact CG1-CD1 3.67Å; L49-L51 HydrophobicContact CB-CD2 3.94Å; L49-L51 HydrophobicContact CB-CG 4.19Å; L49-L51 HydrophobicContact CD1-CD2 4.5Å; L49-L51 PolarHBondContact O-N 3.25Å; L51-L57 HydrophobicContact CD2-CB 4.21Å; L51-C58 WeakPolarHBondContact O-CB 3.5Å; L51-F61 HydrophobicContact CD1-CB 4.06Å; L51-F61 HydrophobicContact CD1-CD1 3.71Å; L51-F61 HydrophobicContact CD1-CD2 3.93Å; L51-F61 HydrophobicContact CD1-CE1 4.16Å; L51-F61 HydrophobicContact CD1-CE2 4.37Å; L51-F61 HydrophobicContact CD1-CG 3.58Å; L51-F61 HydrophobicContact CD1-CZ 4.48Å; L51-F61 HydrophobicContact CD2-CB 3.8Å; L51-F61 HydrophobicContact CD2-CG 4.28Å; L51-M90 HydrophobicContact CB-CE 3.84Å; L51-M90 HydrophobicContact CB-SD 3.98Å; L51-M90 HydrophobicContact CD1-CE 4.16Å; L51-W94 WeakPolarHBondContact O-CZ2 3.34Å
52S89.5Confident94.5Very high63 Ų6336.6 Ų36.644%0.44121%0.207SC..THydrogen-bonded Turntrans-80.9-18.7179.552.10000113.8P50 W94P50-S52 PolarHBondContact O-N 3.04Å; S52-W94 WeakPolarHBondContact O-CZ2 3.34Å
53S89.8Confident94.6Very high91 Ų9136.6 Ų36.664%0.63621%0.206SC*.THydrogen-bonded Turntrans-106.9-15-178.165.20000113.8P50P50-S53 WeakPolarHBondContact CB-OG 3.4Å; P50-S53 PolarHBondContact O-N 2.73Å; P50-S53 PolarHBondContact O-OG 3.21Å
54N93.9Very high94.8Very high46 Ų4636.2 Ų36.225%0.24621%0.205CC..  trans-127.4110.9-179.8-172.4-52.2000111.7T16 P50 V56 L57 C58T16-N54 WeakPolarHBondContact CG2-ND2 3.41Å; P50-N54 PolarHBondContact O-N 3.47Å; N54-V56 PolarHBondContact O-N 3.02Å; N54-V56 PolarHBondContact OD1-N 2.96Å; N54-L57 HydrophobicContact CB-CB 4.01Å; N54-L57 HydrophobicContact CB-CD1 3.81Å; N54-L57 HydrophobicContact CB-CG 4.16Å; N54-L57 PolarHBondContact O-N 3.44Å; N54-L57 PolarHBondContact OD1-N 3.34Å; N54-C58 PolarHBondContact O-N 3.35Å
55A93.9Very high95Very high21 Ų2133.7 Ų33.717%0.17418%0.184CC..Hα-helixtrans-67.9-31.8-175.700000113.3C58 W59 W94 C105A55-C58 PolarHBondContact O-N 3.34Å; A55-W59 VanDerWaalsContact O-CB 3.32Å; A55-W59 WeakPolarHBondContact O-CB 3.32Å; A55-W59 PolarHBondContact O-N 2.92Å; A55-W94 HydrophobicContact CB-CH2 3.74Å; A55-W94 HydrophobicContact CB-CZ2 4.3Å; A55-W94 HydrophobicContact CB-CZ3 3.87Å; A55-C105 PolarHBondContact O-SG 3.23Å
56V95Very high95.2Very high22 Ų2233.1 Ų33.113%0.13318%0.18CC..Hα-helixtrans-70-41176.5177.90000110.6N54 W59 K60 Y101N54-V56 PolarHBondContact O-N 3.02Å; N54-V56 PolarHBondContact OD1-N 2.96Å; V56-W59 PolarHBondContact O-N 3.47Å; V56-K60 HydrophobicContact CG1-CD 4.15Å; V56-K60 WeakPolarHBondContact O-CG 3.48Å; V56-K60 PolarHBondContact O-N 2.9Å; V56-Y101 HydrophobicContact CG2-CD2 3.87Å; V56-Y101 HydrophobicContact CG2-CE2 3.84Å; V56-Y101 HydrophobicContact CG2-CG 4.44Å
57L96.3Very high95.3Very high9 Ų933.8 Ų33.85%0.04718%0.182CC..Hα-helixtrans-60.5-46.8172.3-81.8173.3000111.2I14 N15 T16 P50 L51 N54 W59 K60 F61I14-L57 HydrophobicContact CG2-CD2 3.95Å; I14-L57 VanDerWaalsContact O-CD2 3.3Å; I14-L57 WeakPolarHBondContact O-CD2 3.24Å; N15-L57 VanDerWaalsContact CA-CD2 3.44Å; N15-L57 WeakPolarHBondContact O-CD2 3.37Å; T16-L57 HydrophobicContact CG2-CD1 3.62Å; T16-L57 HydrophobicContact CG2-CD2 4.27Å; T16-L57 HydrophobicContact CG2-CG 3.79Å; P50-L57 HydrophobicContact CG-CD1 3.93Å; L51-L57 HydrophobicContact CD2-CB 4.21Å; N54-L57 HydrophobicContact CB-CB 4.01Å; N54-L57 HydrophobicContact CB-CD1 3.81Å; N54-L57 HydrophobicContact CB-CG 4.16Å; N54-L57 PolarHBondContact O-N 3.44Å; N54-L57 PolarHBondContact OD1-N 3.34Å; L57-W59 VanDerWaalsContact C-N 3.32Å; L57-W59 PolarHBondContact O-N 2.82Å; L57-K60 PolarHBondContact O-N 2.91Å; L57-F61 VanDerWaalsContact O-CB 3.32Å; L57-F61 WeakPolarHBondContact O-CB 3.26Å; L57-F61 PolarHBondContact O-N 3.04Å
58C97.1Very high95.5Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-59.5-42.8176.3-169.60000111.8L51 N54 A55 F61 C62 M90 W94 C105L51-C58 WeakPolarHBondContact O-CB 3.5Å; N54-C58 PolarHBondContact O-N 3.35Å; A55-C58 PolarHBondContact O-N 3.34Å; C58-F61 WeakPolarHBondContact O-CB 3.49Å; C58-F61 PolarHBondContact O-N 3.22Å; C58-C62 PolarHBondContact O-N 3Å; C58-C62 PolarHBondContact O-SG 3.35Å; C58-M90 VanDerWaalsContact SG-SD 3.66Å; C58-W94 HydrophobicContact CB-CZ2 4.37Å; C58-W94 PolarHBondContact SG-NE1 2.89Å; C58-W94 VanDerWaalsContact SG-NE1 3.44Å; C58-C105 HydrophobicContact CB-CB 4.38Å
59W97.3Very high95.7Very high1 Ų118.8 Ų18.80%0.00412%0.118CC..Hα-helixtrans-61.3-47.8177.7-178-108.4000112.6A55 V56 L57 F61 C62 H63 Y101 L104 C105 Y108 L164 V168 C186 R187 P190A55-W59 VanDerWaalsContact O-CB 3.32Å; A55-W59 WeakPolarHBondContact O-CB 3.32Å; A55-W59 PolarHBondContact O-N 2.92Å; V56-W59 PolarHBondContact O-N 3.47Å; L57-W59 VanDerWaalsContact C-N 3.32Å; L57-W59 PolarHBondContact O-N 2.82Å; W59-F61 VanDerWaalsContact C-N 3.35Å; W59-C62 WeakPolarHBondContact O-CB 3.45Å; W59-C62 PolarHBondContact O-N 2.98Å; W59-H63 PolarHBondContact O-N 2.97Å; W59-Y101 HydrophobicContact CB-CD1 3.65Å; W59-Y101 HydrophobicContact CB-CE1 4.06Å; W59-Y101 AromaticContact CD1-CD1 3.88Å; W59-Y101 AromaticContact CD1-CE1 3.44Å; W59-Y101 VanDerWaalsContact CD1-CE1 3.44Å; W59-Y101 AromaticContact CD2-CD1 3.87Å; W59-Y101 HydrophobicContact CD2-CD1 3.87Å; W59-Y101 HydrophobicContact CD2-CE1 4.06Å; W59-Y101 HydrophobicContact CE3-CD1 4.43Å; W59-Y101 AromaticContact CG-CD1 3.5Å; W59-Y101 HydrophobicContact CG-CD1 3.5Å; W59-Y101 AromaticContact CG-CE1 3.57Å; W59-Y101 HydrophobicContact CG-CE1 3.57Å; W59-Y101 AromaticContact NE1-CE1 3.81Å; W59-L104 HydrophobicContact CE3-CB 3.88Å; W59-L104 HydrophobicContact CH2-CB 4.16Å; W59-L104 HydrophobicContact CH2-CD1 4.47Å; W59-L104 HydrophobicContact CZ3-CB 3.49Å; W59-L104 VanDerWaalsContact CZ3-CB 3.49Å; W59-L104 HydrophobicContact CZ3-CD1 4.48Å; W59-C105 PolarHBondContact N-SG 2.93Å; W59-C105 VanDerWaalsContact N-SG 3.43Å; W59-Y108 AromaticContact CE3-CD1 3.82Å; W59-Y108 HydrophobicContact CE3-CD1 3.82Å; W59-Y108 AromaticContact CH2-CD1 3.9Å; W59-Y108 HydrophobicContact CH2-CD1 3.9Å; W59-Y108 HydrophobicContact CH2-CE1 4.36Å; W59-Y108 AromaticContact CZ3-CD1 3.46Å; W59-Y108 HydrophobicContact CZ3-CD1 3.46Å; W59-Y108 VanDerWaalsContact CZ3-CD1 3.46Å; W59-Y108 HydrophobicContact CZ3-CE1 4.31Å; W59-Y108 HydrophobicContact CZ3-CG 4.21Å; W59-L164 HydrophobicContact CH2-CD1 3.93Å; W59-L164 HydrophobicContact CZ3-CD1 3.98Å; W59-V168 HydrophobicContact CH2-CG2 3.49Å; W59-V168 VanDerWaalsContact CH2-CG2 3.49Å; W59-V168 HydrophobicContact CZ2-CG2 3.9Å; W59-C186 PolarHBondContact NE1-O 2.83Å; W59-R187 WeakPolarHBondContact CZ2-O 3.35Å; W59-P190 HydrophobicContact CH2-CG 4.42Å; W59-P190 HydrophobicContact CZ2-CB 4.12Å; W59-P190 HydrophobicContact CZ2-CG 3.55Å
60K97.4Very high95.8Very high3 Ų317.9 Ų17.91%0.01311%0.113CC..Hα-helixtrans-68.7-34.8177.7-66.617787.9164.10111.9A13 I14 N15 Q17 V19 V21 V56 L57 H63 V64A13-K60 WeakPolarHBondContact O-CE 3.44Å; I14-K60 HydrophobicContact CG2-CB 4.5Å; N15-K60 WeakPolarHBondContact O-CD 3.43Å; N15-K60 PolarHBondContact OD1-NZ 3.04Å; Q17-K60 PolarHBondContact O-NZ 3.13Å; V19-K60 WeakPolarHBondContact O-CE 3.47Å; V19-K60 PolarHBondContact O-NZ 2.87Å; V19-K60 VanDerWaalsContact O-NZ 3.16Å; V21-K60 HydrophobicContact CG2-CB 4.19Å; V21-K60 HydrophobicContact CG2-CG 4.14Å; V56-K60 HydrophobicContact CG1-CD 4.15Å; V56-K60 WeakPolarHBondContact O-CG 3.48Å; V56-K60 PolarHBondContact O-N 2.9Å; L57-K60 PolarHBondContact O-N 2.91Å; K60-H63 PolarHBondContact O-N 3.02Å; K60-V64 WeakPolarHBondContact O-CG2 3.48Å; K60-V64 PolarHBondContact O-N 3.4Å
61F97.9Very high95.9Very high1 Ų118 Ų180%0.00411%0.109CC..Hα-helixtrans-57.9-51.1169.1157.3-102.7000110.7I14 F42 W43 V46 L51 L57 C58 W59 H63 V64 F65 L87 L109I14-F61 HydrophobicContact CD1-CB 4.27Å; I14-F61 HydrophobicContact CD1-CD2 4.35Å; I14-F61 HydrophobicContact CG2-CB 4.01Å; F42-F61 HydrophobicContact CE1-CE2 4.02Å; F42-F61 HydrophobicContact CZ-CD2 4.07Å; F42-F61 AromaticContact CZ-CE2 3.93Å; F42-F61 HydrophobicContact CZ-CE2 3.93Å; W43-F61 HydrophobicContact CH2-CE2 4.16Å; W43-F61 AromaticContact CH2-CZ 3.91Å; W43-F61 HydrophobicContact CH2-CZ 3.91Å; W43-F61 HydrophobicContact CZ3-CE2 4.14Å; W43-F61 HydrophobicContact CZ3-CZ 4.11Å; V46-F61 HydrophobicContact CG1-CD2 3.66Å; V46-F61 HydrophobicContact CG1-CE2 3.65Å; V46-F61 HydrophobicContact CG2-CD2 4.11Å; V46-F61 HydrophobicContact CG2-CE2 4.38Å; L51-F61 HydrophobicContact CD1-CB 4.06Å; L51-F61 HydrophobicContact CD1-CD1 3.71Å; L51-F61 HydrophobicContact CD1-CD2 3.93Å; L51-F61 HydrophobicContact CD1-CE1 4.16Å; L51-F61 HydrophobicContact CD1-CE2 4.37Å; L51-F61 HydrophobicContact CD1-CG 3.58Å; L51-F61 HydrophobicContact CD1-CZ 4.48Å; L51-F61 HydrophobicContact CD2-CB 3.8Å; L51-F61 HydrophobicContact CD2-CG 4.28Å; L57-F61 VanDerWaalsContact O-CB 3.32Å; L57-F61 WeakPolarHBondContact O-CB 3.26Å; L57-F61 PolarHBondContact O-N 3.04Å; C58-F61 WeakPolarHBondContact O-CB 3.49Å; C58-F61 PolarHBondContact O-N 3.22Å; W59-F61 VanDerWaalsContact C-N 3.35Å; F61-H63 VanDerWaalsContact C-N 3.27Å; F61-H63 PolarHBondContact O-N 3.27Å; F61-V64 PolarHBondContact O-N 3.06Å; F61-F65 HydrophobicContact CD2-CB 4.36Å; F61-F65 HydrophobicContact CE2-CB 3.93Å; F61-F65 HydrophobicContact CE2-CD1 4.34Å; F61-F65 HydrophobicContact CE2-CG 4.14Å; F61-F65 HydrophobicContact CZ-CB 4.17Å; F61-F65 AromaticContact CZ-CD1 3.87Å; F61-F65 HydrophobicContact CZ-CD1 3.87Å; F61-F65 HydrophobicContact CZ-CG 4.14Å; F61-F65 WeakPolarHBondContact O-CB 3.3Å; F61-F65 PolarHBondContact O-N 3.4Å; F61-L87 HydrophobicContact CE1-CD2 3.75Å; F61-L87 HydrophobicContact CZ-CD2 3.75Å; F61-L109 HydrophobicContact CE1-CD2 4.02Å
62C98.2Very high95.9Very high0 Ų018.1 Ų18.10%011%0.113CC..Hα-helixtrans-58-42.5179.3-66.70000111.3C58 W59 H66 Y108 L112C58-C62 PolarHBondContact O-N 3Å; C58-C62 PolarHBondContact O-SG 3.35Å; W59-C62 WeakPolarHBondContact O-CB 3.45Å; W59-C62 PolarHBondContact O-N 2.98Å; C62-H66 WeakPolarHBondContact O-CB 3.42Å; C62-H66 PolarHBondContact O-N 2.85Å; C62-Y108 HydrophobicContact CB-CD1 3.25Å; C62-Y108 HydrophobicContact CB-CD2 4.12Å; C62-Y108 HydrophobicContact CB-CE1 3.59Å; C62-Y108 HydrophobicContact CB-CE2 4.4Å; C62-Y108 HydrophobicContact CB-CG 3.56Å; C62-L112 HydrophobicContact CB-CD1 3.77Å
63H98Very high96.2Very high5 Ų517 Ų172%0.02310%0.101CC..Hα-helixtrans-61.5-55.4175.7-174.8178000112.5W59 K60 F61 F65 H66 K67 Y108 A189 P190W59-H63 PolarHBondContact O-N 2.97Å; K60-H63 PolarHBondContact O-N 3.02Å; F61-H63 VanDerWaalsContact C-N 3.27Å; F61-H63 PolarHBondContact O-N 3.27Å; H63-F65 PolarHBondContact O-N 3.38Å; H63-H66 WeakPolarHBondContact O-CB 3.39Å; H63-H66 PolarHBondContact O-N 3.48Å; H63-K67 WeakPolarHBondContact NE2-CE 3.46Å; H63-K67 PolarHBondContact O-N 3.27Å; H63-Y108 HydrophobicContact CB-CE1 4.47Å; H63-A189 VanDerWaalsContact CE1-CB 3.5Å; H63-A189 WeakPolarHBondContact CE1-CB 3.38Å; H63-P190 HydrophobicContact CB-CB 4.34Å; H63-P190 HydrophobicContact CB-CG 3.86Å
64V97.9Very high96.3Very high1 Ų117 Ų171%0.00610%0.1CC..Hα-helixtrans-60.5-40.8-179.3175.10000110.2A13 I14 V21 F42 K60 F61 K67 L68A13-V64 HydrophobicContact CB-CG2 3.95Å; I14-V64 HydrophobicContact CD1-CB 4.36Å; I14-V64 HydrophobicContact CD1-CG1 4.49Å; I14-V64 HydrophobicContact CG1-CB 4.26Å; I14-V64 HydrophobicContact CG1-CG2 4Å; V21-V64 HydrophobicContact CG1-CG2 3.91Å; V21-V64 HydrophobicContact CG2-CG2 4.25Å; F42-V64 HydrophobicContact CE2-CG1 3.84Å; K60-V64 WeakPolarHBondContact O-CG2 3.48Å; K60-V64 PolarHBondContact O-N 3.4Å; F61-V64 PolarHBondContact O-N 3.06Å; V64-K67 PolarHBondContact O-N 2.89Å; V64-L68 HydrophobicContact CG1-CD1 3.98Å; V64-L68 VanDerWaalsContact O-CD1 3.24Å; V64-L68 WeakPolarHBondContact O-CD1 3.46Å; V64-L68 PolarHBondContact O-N 2.92Å
65F98.1Very high96.3Very high0 Ų017.7 Ų17.70%010%0.103CC..Hα-helixtrans-66.2-38.9178-171.9-137.7000112.1F42 W43 F61 H63 K67 L68 L69 S80 L87 L112 M116F42-F65 HydrophobicContact CD1-CD2 4.49Å; F42-F65 HydrophobicContact CE1-CB 4.31Å; F42-F65 AromaticContact CE1-CD2 3.62Å; F42-F65 HydrophobicContact CE1-CD2 3.62Å; F42-F65 HydrophobicContact CE1-CE2 4.36Å; F42-F65 HydrophobicContact CE1-CG 4.18Å; F42-F65 HydrophobicContact CZ-CB 3.99Å; F42-F65 HydrophobicContact CZ-CD2 4.11Å; F42-F65 HydrophobicContact CZ-CG 4.37Å; W43-F65 HydrophobicContact CH2-CE1 4.24Å; W43-F65 HydrophobicContact CH2-CE2 4.46Å; W43-F65 HydrophobicContact CH2-CZ 4.21Å; W43-F65 HydrophobicContact CZ2-CD2 4.24Å; W43-F65 HydrophobicContact CZ2-CE1 4.04Å; W43-F65 AromaticContact CZ2-CE2 3.63Å; W43-F65 HydrophobicContact CZ2-CE2 3.63Å; W43-F65 AromaticContact CZ2-CZ 3.55Å; W43-F65 HydrophobicContact CZ2-CZ 3.55Å; F61-F65 HydrophobicContact CD2-CB 4.36Å; F61-F65 HydrophobicContact CE2-CB 3.93Å; F61-F65 HydrophobicContact CE2-CD1 4.34Å; F61-F65 HydrophobicContact CE2-CG 4.14Å; F61-F65 HydrophobicContact CZ-CB 4.17Å; F61-F65 AromaticContact CZ-CD1 3.87Å; F61-F65 HydrophobicContact CZ-CD1 3.87Å; F61-F65 HydrophobicContact CZ-CG 4.14Å; F61-F65 WeakPolarHBondContact O-CB 3.3Å; F61-F65 PolarHBondContact O-N 3.4Å; H63-F65 PolarHBondContact O-N 3.38Å; F65-K67 PolarHBondContact O-N 2.92Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.88Å; F65-L69 HydrophobicContact CD1-CD1 4.33Å; F65-L69 HydrophobicContact CD2-CG 4.3Å; F65-L69 HydrophobicContact CE1-CD1 3.94Å; F65-L69 HydrophobicContact CE1-CG 4.39Å; F65-L69 HydrophobicContact CE2-CD1 4.35Å; F65-L69 HydrophobicContact CE2-CD2 3.87Å; F65-L69 HydrophobicContact CE2-CG 3.91Å; F65-L69 HydrophobicContact CZ-CD1 3.92Å; F65-L69 HydrophobicContact CZ-CD2 3.77Å; F65-L69 HydrophobicContact CZ-CG 3.92Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 3.38Å; F65-S80 WeakPolarHBondContact CE2-OG 3.49Å; F65-L87 HydrophobicContact CE1-CD1 4.04Å; F65-L112 HydrophobicContact CD1-CB 4.48Å; F65-L112 HydrophobicContact CD1-CD1 3.89Å; F65-L112 HydrophobicContact CE1-CB 4.49Å; F65-M116 HydrophobicContact CE1-SD 3.8Å; F65-M116 HydrophobicContact CZ-SD 3.66Å
66H98.1Very high96.4Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-58.3-48.5172.4-162.2170.7000111.4C62 H63 L68 L69 R70 Y108 L112 E161 Q193 D197C62-H66 WeakPolarHBondContact O-CB 3.42Å; C62-H66 PolarHBondContact O-N 2.85Å; H63-H66 WeakPolarHBondContact O-CB 3.39Å; H63-H66 PolarHBondContact O-N 3.48Å; H66-L68 VanDerWaalsContact C-N 3.28Å; H66-L68 PolarHBondContact O-N 3.05Å; H66-L69 PolarHBondContact O-N 3.48Å; H66-L69 VanDerWaalsContact O-N 3.14Å; H66-R70 PolarHBondContact O-N 2.93Å; H66-Y108 HydrophobicContact CB-CE2 4.08Å; H66-Y108 WeakPolarHBondContact CB-OH 3.33Å; H66-Y108 AromaticContact ND1-CE2 3.5Å; H66-Y108 AromaticContact ND1-CZ 3.69Å; H66-Y108 PolarHBondContact ND1-OH 3.39Å; H66-L112 HydrophobicContact CB-CD2 3.7Å; H66-E161 IonicContact CE1-OE1 2.79Å; H66-E161 IonicContact NE2-OE1 2.78Å; H66-Q193 WeakPolarHBondContact ND1-CB 3.39Å; H66-D197 IonicContact NE2-OD2 2.86Å; H66-D197 PolarHBondContact NE2-OD2 2.93Å
67K97.4Very high96.4Very high15 Ų1516.5 Ų16.57%0.0659%0.093CC..Hα-helixtrans-57.4-40.8175.3-79.5-178.5171.8-101.20112E23 A26 I30 H63 V64 F65 R70 D71 Q193E23-K67 IonicContact OE1-NZ 3.62Å; E23-K67 PolarHBondContact OE1-NZ 3.46Å; E23-K67 IonicContact OE2-NZ 2.71Å; E23-K67 PolarHBondContact OE2-NZ 3.02Å; A26-K67 HydrophobicContact CB-CD 3.96Å; I30-K67 HydrophobicContact CD1-CB 4.34Å; H63-K67 WeakPolarHBondContact NE2-CE 3.46Å; H63-K67 PolarHBondContact O-N 3.27Å; V64-K67 PolarHBondContact O-N 2.89Å; F65-K67 PolarHBondContact O-N 2.92Å; K67-R70 PolarHBondContact O-N 3.16Å; K67-D71 PolarHBondContact O-N 3.4Å; K67-Q193 HydrophobicContact CG-CG 4.09Å
68L96.9Very high96.3Very high2 Ų222.5 Ų22.51%0.0112%0.118CC..Hα-helixtrans-66.8-38.9176.3-96.666.9000112.8C29 I30 T33 F42 V64 F65 H66 R70 G72 V76C29-L68 HydrophobicContact CB-CD1 3.9Å; I30-L68 HydrophobicContact CG1-CD1 4Å; T33-L68 HydrophobicContact CG2-CD2 3.76Å; T33-L68 HydrophobicContact CG2-CG 3.98Å; F42-L68 HydrophobicContact CB-CD2 4.09Å; F42-L68 HydrophobicContact CD1-CD2 3.96Å; F42-L68 HydrophobicContact CD2-CD2 3.52Å; F42-L68 HydrophobicContact CE1-CD2 4.26Å; F42-L68 HydrophobicContact CE2-CD2 3.86Å; F42-L68 HydrophobicContact CG-CD2 3.57Å; F42-L68 HydrophobicContact CZ-CD2 4.21Å; V64-L68 HydrophobicContact CG1-CD1 3.98Å; V64-L68 VanDerWaalsContact O-CD1 3.24Å; V64-L68 WeakPolarHBondContact O-CD1 3.46Å; V64-L68 PolarHBondContact O-N 2.92Å; F65-L68 WeakPolarHBondContact O-CB 3.43Å; F65-L68 PolarHBondContact O-N 2.88Å; H66-L68 VanDerWaalsContact C-N 3.28Å; H66-L68 PolarHBondContact O-N 3.05Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.36Å; L68-G72 WeakPolarHBondContact O-CA 3.35Å; L68-G72 PolarHBondContact O-N 3.39Å; L68-V76 HydrophobicContact CB-CG1 4.22Å
69L97.1Very high96.1Very high5 Ų524 Ų243%0.02613%0.126CC..Hα-helixtrans-67-29.4174.3-68.4174000112F65 H66 V76 I77 L112 K115 M116 G127F65-L69 HydrophobicContact CD1-CD1 4.33Å; F65-L69 HydrophobicContact CD2-CG 4.3Å; F65-L69 HydrophobicContact CE1-CD1 3.94Å; F65-L69 HydrophobicContact CE1-CG 4.39Å; F65-L69 HydrophobicContact CE2-CD1 4.35Å; F65-L69 HydrophobicContact CE2-CD2 3.87Å; F65-L69 HydrophobicContact CE2-CG 3.91Å; F65-L69 HydrophobicContact CZ-CD1 3.92Å; F65-L69 HydrophobicContact CZ-CD2 3.77Å; F65-L69 HydrophobicContact CZ-CG 3.92Å; F65-L69 WeakPolarHBondContact O-CG 3.42Å; F65-L69 PolarHBondContact O-N 3.38Å; H66-L69 PolarHBondContact O-N 3.48Å; H66-L69 VanDerWaalsContact O-N 3.14Å; L69-V76 HydrophobicContact CD2-CG1 4.3Å; L69-I77 HydrophobicContact CD2-CB 4.49Å; L69-I77 HydrophobicContact CD2-CG1 3.81Å; L69-L112 HydrophobicContact CD1-CB 4.46Å; L69-L112 HydrophobicContact CD1-CD2 3.96Å; L69-K115 HydrophobicContact CB-CD 4.07Å; L69-K115 HydrophobicContact CD1-CD 4.13Å; L69-K115 HydrophobicContact CD1-CG 4.46Å; L69-M116 HydrophobicContact CD1-CG 4.03Å; L69-M116 HydrophobicContact CD2-CG 3.89Å; L69-G127 VanDerWaalsContact O-CA 3.29Å; L69-G127 WeakPolarHBondContact O-CA 3.33Å
70R95.4Very high96.1Very high15 Ų1523.9 Ų23.96%0.05713%0.126CC..Hα-helixtrans-80.7-54.9-179.8-160.8-175.7159.270.97.6112.4H66 K67 L68 G127 N128 D197H66-R70 PolarHBondContact O-N 2.93Å; K67-R70 PolarHBondContact O-N 3.16Å; L68-R70 VanDerWaalsContact C-N 3.26Å; L68-R70 PolarHBondContact O-N 3.36Å; R70-G127 CarbonylContact O-C 3.36Å; R70-N128 HydrophobicContact CG-CB 3.8Å; R70-N128 PolarHBondContact NH1-O 2.94Å; R70-N128 PolarHBondContact NH2-O 3.32Å; R70-N128 PolarHBondContact O-N 3.46Å; R70-N128 VanDerWaalsContact O-N 3.13Å; R70-D197 IonicContact CZ-OD1 3.45Å; R70-D197 IonicContact NH1-OD1 2.66Å; R70-D197 PolarHBondContact NH1-OD1 2.87Å
71D95.3Very high96Very high66 Ų6626.2 Ų26.235%0.35314%0.138SC..Hα-helixtrans-116.6-3.3-166.7-58.2-41.8000113.9I30 H34 K67I30-D71 HydrophobicContact CD1-CB 4.19Å; I30-D71 HydrophobicContact CG2-CB 4.18Å; I30-D71 VanDerWaalsContact CG2-O 3.29Å; I30-D71 WeakPolarHBondContact CG2-O 3.4Å; H34-D71 PolarHBondContact NE2-O 2.91Å; K67-D71 PolarHBondContact O-N 3.4Å
72G93.3Very high95.8Very high14 Ų1432.4 Ų32.414%0.14416%0.161CC..SBendtrans-74.5178.2176.900000113.7T33 L68T33-G72 WeakPolarHBondContact OG1-CA 3.28Å; L68-G72 WeakPolarHBondContact O-CA 3.35Å; L68-G72 PolarHBondContact O-N 3.39Å
73H95.9Very high95.6Very high39 Ų3933 Ų3318%0.18116%0.164CC..  trans-59.9142.3176.7-173-93.3000111.2T33 H34 K37 N75 V76T33-H73 VanDerWaalsContact O-CB 3.29Å; T33-H73 WeakPolarHBondContact O-CB 3.46Å; T33-H73 PolarHBondContact OG1-N 2.82Å; H34-H73 AromaticContact ND1-CD2 3.98Å; K37-H73 PolarHBondContact O-CE1 3.29Å; K37-H73 PolarHBondContact O-ND1 3.18Å; H73-N75 PolarHBondContact CE1-ND2 3.18Å; H73-N75 PolarHBondContact ND1-N 3.01Å; H73-N75 PolarHBondContact O-N 3.38Å; H73-V76 HydrophobicContact CB-CG2 4.32Å; H73-V76 WeakPolarHBondContact O-CB 3.3Å; H73-V76 WeakPolarHBondContact O-CG2 3.41Å; H73-V76 PolarHBondContact O-N 3.48Å
74P92.4Very high95.6Very high93 Ų9336.1 Ų36.160%0.60418%0.178SC*.THydrogen-bonded Turntrans-54.4-28.4-177-30.136.1000115.5V76P74-V76 PolarHBondContact O-N 2.83Å
75N94.1Very high95.5Very high60 Ų6039 Ų3932%0.32120%0.201SC..Hα-helixtrans-69.8-16.8176.1-70.5-18.6000114K37 H73 I77 K78 D79K37-N75 WeakPolarHBondContact O-CB 3.5Å; K37-N75 PolarHBondContact O-ND2 3.37Å; H73-N75 PolarHBondContact CE1-ND2 3.18Å; H73-N75 PolarHBondContact ND1-N 3.01Å; H73-N75 PolarHBondContact O-N 3.38Å; N75-I77 PolarHBondContact O-N 3.23Å; N75-K78 PolarHBondContact O-N 2.98Å; N75-K78 VanDerWaalsContact O-N 3.1Å; N75-D79 WeakPolarHBondContact O-CB 3.35Å; N75-D79 VanDerWaalsContact O-CG 3.25Å; N75-D79 PolarHBondContact O-N 3.01Å
76V96.1Very high95.3Very high1 Ų143.4 Ų43.41%0.00623%0.225CC..Hα-helixtrans-53.6-42.4178.4170.10000110.8T33 A39 L68 L69 H73 P74 S80T33-V76 HydrophobicContact CG2-CG2 3.78Å; A39-V76 HydrophobicContact CB-CB 4.32Å; A39-V76 HydrophobicContact CB-CG1 4.1Å; A39-V76 HydrophobicContact CB-CG2 4.1Å; L68-V76 HydrophobicContact CB-CG1 4.22Å; L69-V76 HydrophobicContact CD2-CG1 4.3Å; H73-V76 HydrophobicContact CB-CG2 4.32Å; H73-V76 WeakPolarHBondContact O-CB 3.3Å; H73-V76 WeakPolarHBondContact O-CG2 3.41Å; H73-V76 PolarHBondContact O-N 3.48Å; P74-V76 PolarHBondContact O-N 2.83Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.5Å; V76-S80 PolarHBondContact O-OG 2.95Å
77I94.9Very high95.2Very high17 Ų1743.6 Ų43.69%0.08723%0.226CC..Hα-helixtrans-62.9-50.2179-62.1171.7000110.3L69 N75 S80 M81 H119 I120L69-I77 HydrophobicContact CD2-CB 4.49Å; L69-I77 HydrophobicContact CD2-CG1 3.81Å; N75-I77 PolarHBondContact O-N 3.23Å; I77-S80 PolarHBondContact O-N 3.17Å; I77-M81 PolarHBondContact O-N 3.31Å; I77-H119 HydrophobicContact CD1-CB 3.74Å; I77-H119 HydrophobicContact CG2-CB 4.01Å; I77-I120 HydrophobicContact CG2-CD1 4.17Å; I77-I120 HydrophobicContact CG2-CG1 4.11Å
78K93.4Very high95.2Very high134 Ų13444.5 Ų44.558%0.58324%0.236SC*.Hα-helixtrans-62.7-46.7-179.7-64.4-178.9-178.6175.30111.9N75 S80 M81 I120N75-K78 PolarHBondContact O-N 2.98Å; N75-K78 VanDerWaalsContact O-N 3.1Å; K78-S80 PolarHBondContact O-N 3.33Å; K78-M81 PolarHBondContact O-N 3.31Å; K78-I120 HydrophobicContact CG-CD1 4.11Å
79D93.3Very high95.2Very high31 Ų3148.2 Ų48.217%0.16626%0.256CS..Hα-helixtrans-62.7-32.5179.6-71-14000112.3G38 A39 H40 N75 R82G38-D79 WeakPolarHBondContact CA-OD2 3.2Å; A39-D79 HydrophobicContact CB-CB 4.32Å; A39-D79 PolarHBondContact N-OD2 2.86Å; H40-D79 IonicContact NE2-OD2 3.92Å; N75-D79 WeakPolarHBondContact O-CB 3.35Å; N75-D79 VanDerWaalsContact O-CG 3.25Å; N75-D79 PolarHBondContact O-N 3.01Å; D79-R82 VanDerWaalsContact O-CD 3.24Å; D79-R82 WeakPolarHBondContact O-CD 3.29Å; D79-R82 VanDerWaalsContact O-CG 3.23Å; D79-R82 WeakPolarHBondContact O-CG 3.37Å; D79-R82 PolarHBondContact O-NE 2.82Å
80S96Very high95.1Very high0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-80-18.8-176.1-60.30000113.5W43 F65 V76 I77 K78 R82 N83W43-S80 PolarHBondContact NE1-OG 3.32Å; F65-S80 WeakPolarHBondContact CE2-OG 3.49Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.5Å; V76-S80 PolarHBondContact O-OG 2.95Å; I77-S80 PolarHBondContact O-N 3.17Å; K78-S80 PolarHBondContact O-N 3.33Å; S80-R82 PolarHBondContact O-N 3.47Å; S80-R82 VanDerWaalsContact O-N 3.14Å; S80-N83 PolarHBondContact O-N 3.08Å
81M95.3Very high95.1Very high52 Ų5248.8 Ų48.826%0.25626%0.26SS..G310 helixtrans-58.6-27.9178.4-74.8-61.3-6800113.3I77 K78 N83 K84 M116 I120I77-M81 PolarHBondContact O-N 3.31Å; K78-M81 PolarHBondContact O-N 3.31Å; M81-N83 PolarHBondContact O-N 2.96Å; M81-K84 HydrophobicContact CE-CD 3.89Å; M81-K84 WeakPolarHBondContact O-CB 3.35Å; M81-K84 PolarHBondContact O-N 2.87Å; M81-K84 VanDerWaalsContact O-N 3.13Å; M81-M116 HydrophobicContact SD-CB 3.93Å; M81-M116 HydrophobicContact SD-CE 3.65Å; M81-I120 HydrophobicContact CE-CG1 4.31Å; M81-I120 HydrophobicContact CG-CD1 3.81Å; M81-I120 HydrophobicContact CG-CG1 3.71Å; M81-I120 HydrophobicContact SD-CG1 3.8Å
82R94.6Very high95.1Very high131 Ų13153.1 Ų53.149%0.49427%0.272SS..G310 helixtrans-61-27.2175.373.9-164.9172.7-148.7-7.7113.3D79 S80D79-R82 VanDerWaalsContact O-CD 3.24Å; D79-R82 WeakPolarHBondContact O-CD 3.29Å; D79-R82 VanDerWaalsContact O-CG 3.23Å; D79-R82 WeakPolarHBondContact O-CG 3.37Å; D79-R82 PolarHBondContact O-NE 2.82Å; S80-R82 PolarHBondContact O-N 3.47Å; S80-R82 VanDerWaalsContact O-N 3.14Å
83N94.8Very high95.1Very high13 Ų1356.9 Ų56.97%0.0729%0.287CS..G310 helixtrans-96.35.2-179.4-53.9-55.6000112.5W43 S80 M81 A85 D86 L87W43-N83 HydrophobicContact CE3-CB 4.35Å; W43-N83 VanDerWaalsContact CE3-ND2 3.26Å; W43-N83 HydrophobicContact CH2-CB 3.92Å; W43-N83 HydrophobicContact CZ2-CB 4.27Å; W43-N83 HydrophobicContact CZ3-CB 3.97Å; S80-N83 PolarHBondContact O-N 3.08Å; M81-N83 PolarHBondContact O-N 2.96Å; N83-A85 VanDerWaalsContact C-N 3.31Å; N83-A85 PolarHBondContact O-N 2.85Å; N83-D86 PolarHBondContact O-N 3.34Å; N83-L87 WeakPolarHBondContact O-CG 3.34Å; N83-L87 PolarHBondContact O-N 3.35Å
84K96.3Very high95Very high69 Ų6956 Ų5630%0.328%0.282SS..Hα-helixtrans-56.7-42.4-176.9177.9-173.2172.9-175.90112.7M81 L87 A88 I113 M116 E117M81-K84 HydrophobicContact CE-CD 3.89Å; M81-K84 WeakPolarHBondContact O-CB 3.35Å; M81-K84 PolarHBondContact O-N 2.87Å; M81-K84 VanDerWaalsContact O-N 3.13Å; K84-L87 PolarHBondContact O-N 3.4Å; K84-A88 WeakPolarHBondContact O-CB 3.46Å; K84-A88 PolarHBondContact O-N 3.33Å; K84-I113 HydrophobicContact CG-CG2 4.31Å; K84-M116 HydrophobicContact CB-CE 4.17Å; K84-E117 WeakPolarHBondContact CE-OE1 3.47Å; K84-E117 IonicContact NZ-OE1 2.8Å; K84-E117 PolarHBondContact NZ-OE1 3.01Å
85A96.3Very high94.8Very high61 Ų6153.6 Ų53.650%0.50427%0.274SS..Hα-helixtrans-61.6-46.6179.700000111N83 L87 A88 D89N83-A85 VanDerWaalsContact C-N 3.31Å; N83-A85 PolarHBondContact O-N 2.85Å; A85-L87 PolarHBondContact O-N 2.89Å; A85-A88 WeakPolarHBondContact O-CB 3.44Å; A85-A88 PolarHBondContact O-N 2.7Å; A85-A88 VanDerWaalsContact O-N 3.13Å; A85-D89 PolarHBondContact O-N 2.97Å
86D94.9Very high94.6Very high93 Ų9358.2 Ų58.250%0.49729%0.294SS..Hα-helixtrans-62.6-41.2178.4-58.7-26.9000111.9N83 A88 D89 M90N83-D86 PolarHBondContact O-N 3.34Å; D86-A88 VanDerWaalsContact C-N 3.33Å; D86-A88 PolarHBondContact O-N 2.88Å; D86-D89 PolarHBondContact O-N 3.48Å; D86-M90 VanDerWaalsContact O-CB 3.27Å; D86-M90 WeakPolarHBondContact O-CB 3.45Å; D86-M90 PolarHBondContact O-N 3.17Å
87L96.4Very high94.1Very high5 Ų562.4 Ų62.43%0.02632%0.316CS..Hα-helixtrans-63.4-38.6174.7-64.7175.8000111.9W43 F61 F65 N83 K84 A85 S91 L109 I113 M116W43-L87 HydrophobicContact CH2-CD1 4.26Å; W43-L87 HydrophobicContact CH2-CD2 4.3Å; F61-L87 HydrophobicContact CE1-CD2 3.75Å; F61-L87 HydrophobicContact CZ-CD2 3.75Å; F65-L87 HydrophobicContact CE1-CD1 4.04Å; N83-L87 WeakPolarHBondContact O-CG 3.34Å; N83-L87 PolarHBondContact O-N 3.35Å; K84-L87 PolarHBondContact O-N 3.4Å; A85-L87 PolarHBondContact O-N 2.89Å; L87-S91 WeakPolarHBondContact O-CB 3.36Å; L87-S91 PolarHBondContact O-N 3.06Å; L87-L109 HydrophobicContact CB-CD2 4.49Å; L87-L109 HydrophobicContact CD2-CD2 3.77Å; L87-I113 HydrophobicContact CB-CD1 4.02Å; L87-I113 HydrophobicContact CB-CG1 4.08Å; L87-M116 HydrophobicContact CD1-CE 4.41Å; L87-M116 HydrophobicContact CD1-SD 4.32Å
88A96.6Very high93.1Very high34 Ų3466 Ų6628%0.28134%0.342SS..Hα-helixtrans-68.6-41.917900000111.8K84 A85 D86 S91 R92 I113K84-A88 WeakPolarHBondContact O-CB 3.46Å; K84-A88 PolarHBondContact O-N 3.33Å; A85-A88 WeakPolarHBondContact O-CB 3.44Å; A85-A88 PolarHBondContact O-N 2.7Å; A85-A88 VanDerWaalsContact O-N 3.13Å; D86-A88 VanDerWaalsContact C-N 3.33Å; D86-A88 PolarHBondContact O-N 2.88Å; A88-S91 WeakPolarHBondContact O-CB 3.4Å; A88-S91 PolarHBondContact O-N 3.44Å; A88-R92 PolarHBondContact O-N 3.26Å; A88-I113 HydrophobicContact CB-CD1 4.02Å
89D95.9Very high92.2Very high80 Ų8067.3 Ų67.343%0.42835%0.35SS..Hα-helixtrans-67.6-39.7175.7-73.7-23.6000111.4A85 D86 S91 R92 M93A85-D89 PolarHBondContact O-N 2.97Å; D86-D89 PolarHBondContact O-N 3.48Å; D89-S91 VanDerWaalsContact C-N 3.34Å; D89-S91 PolarHBondContact O-N 3.38Å; D89-R92 PolarHBondContact O-N 2.95Å; D89-R92 IonicContact OD1-CZ 3.2Å; D89-R92 IonicContact OD1-NH1 3.92Å; D89-R92 PolarHBondContact OD1-NH1 2.64Å; D89-R92 IonicContact OD1-NH2 2.63Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; D89-M93 WeakPolarHBondContact O-CB 3.4Å; D89-M93 PolarHBondContact O-N 2.94Å
90M95.1Very high91.8Very high28 Ų2868.1 Ų68.114%0.13837%0.366CS..Hα-helixtrans-62.5-40.5172.9-167.7-175-55.400111.6L51 C58 D86 M93 W94 L109L51-M90 HydrophobicContact CB-CE 3.84Å; L51-M90 HydrophobicContact CB-SD 3.98Å; L51-M90 HydrophobicContact CD1-CE 4.16Å; C58-M90 VanDerWaalsContact SG-SD 3.66Å; D86-M90 VanDerWaalsContact O-CB 3.27Å; D86-M90 WeakPolarHBondContact O-CB 3.45Å; D86-M90 PolarHBondContact O-N 3.17Å; M90-M93 PolarHBondContact O-N 3.35Å; M90-W94 PolarHBondContact O-N 2.84Å; M90-L109 HydrophobicContact CB-CD1 3.99Å; M90-L109 HydrophobicContact CG-CD1 3.77Å; M90-L109 HydrophobicContact SD-CD1 3.98Å; M90-L109 HydrophobicContact SD-CD2 4.49Å
91S95.7Very high91.5Very high4 Ų469 Ų693%0.02837%0.37CS..Hα-helixtrans-62.2-43174.51780000112L87 A88 D89 G95 S106 K110L87-S91 WeakPolarHBondContact O-CB 3.36Å; L87-S91 PolarHBondContact O-N 3.06Å; A88-S91 WeakPolarHBondContact O-CB 3.4Å; A88-S91 PolarHBondContact O-N 3.44Å; D89-S91 VanDerWaalsContact C-N 3.34Å; D89-S91 PolarHBondContact O-N 3.38Å; S91-G95 PolarHBondContact O-N 3.37Å; S91-S106 WeakPolarHBondContact O-CB 3.41Å; S91-S106 PolarHBondContact O-OG 3.47Å; S91-S106 PolarHBondContact OG-O 3.02Å; S91-S106 PolarHBondContact OG-OG 2.96Å; S91-K110 WeakPolarHBondContact OG-CG 3.46Å
92R94.9Very high91.4Very high156 Ų15666.7 Ų66.759%0.58936%0.359SS*.Hα-helixtrans-63.6-45.2177.8-165.8-175.3-55.5123.511.4111.2A88 D89 G95 H96A88-R92 PolarHBondContact O-N 3.26Å; D89-R92 PolarHBondContact O-N 2.95Å; D89-R92 IonicContact OD1-CZ 3.2Å; D89-R92 IonicContact OD1-NH1 3.92Å; D89-R92 PolarHBondContact OD1-NH1 2.64Å; D89-R92 IonicContact OD1-NH2 2.63Å; D89-R92 PolarHBondContact OD1-NH2 3.13Å; R92-G95 PolarHBondContact O-N 3.48Å; R92-H96 PolarHBondContact O-CD2 2.84Å
93M94.3Very high91.3Very high94 Ų9465.7 Ų65.746%0.46336%0.359SS..Hα-helixtrans-56.5-54.3176.3179-160.1-66.900111.6D89 M90 G95 H96D89-M93 WeakPolarHBondContact O-CB 3.4Å; D89-M93 PolarHBondContact O-N 2.94Å; M90-M93 PolarHBondContact O-N 3.35Å; M93-G95 PolarHBondContact O-N 3.19Å; M93-H96 PolarHBondContact O-N 3.41Å
94W94.3Very high91.3Very high19 Ų1965.3 Ų65.37%0.07236%0.356CS..Hα-helixtrans-65.5-25.5179.4-75125.7000113.2L51 S52 A55 C58 M90 H96 L97 G102 C105L51-W94 WeakPolarHBondContact O-CZ2 3.34Å; S52-W94 WeakPolarHBondContact O-CZ2 3.34Å; A55-W94 HydrophobicContact CB-CH2 3.74Å; A55-W94 HydrophobicContact CB-CZ2 4.3Å; A55-W94 HydrophobicContact CB-CZ3 3.87Å; C58-W94 HydrophobicContact CB-CZ2 4.37Å; C58-W94 PolarHBondContact SG-NE1 2.89Å; C58-W94 VanDerWaalsContact SG-NE1 3.44Å; M90-W94 PolarHBondContact O-N 2.84Å; W94-H96 PolarHBondContact O-N 3.48Å; W94-L97 HydrophobicContact CE3-CD1 3.58Å; W94-L97 HydrophobicContact CZ3-CD1 3.57Å; W94-L97 PolarHBondContact O-N 3.5Å; W94-L97 VanDerWaalsContact O-N 3.12Å; W94-G102 WeakPolarHBondContact CB-O 3.42Å; W94-C105 HydrophobicContact CB-CB 4.47Å; W94-C105 HydrophobicContact CG-CB 4.15Å
95G87.8Confident91.3Very high44 Ų4462 Ų6245%0.45434%0.342SS..THydrogen-bonded Turntrans-66.4-16.1178.300000114.6S91 R92 M93 L97 S106S91-G95 PolarHBondContact O-N 3.37Å; R92-G95 PolarHBondContact O-N 3.48Å; M93-G95 PolarHBondContact O-N 3.19Å; G95-L97 VanDerWaalsContact C-N 3.29Å; G95-S106 WeakPolarHBondContact CA-OG 3.47Å; G95-S106 PolarHBondContact N-OG 3.34Å
96H89.1Confident91.4Very high157 Ų15759.4 Ų59.473%0.72732%0.32SS*.THydrogen-bonded Turntrans-75.9-16.5173-66.8-62.6000113.4R92 M93 W94R92-H96 PolarHBondContact O-CD2 2.84Å; M93-H96 PolarHBondContact O-N 3.41Å; W94-H96 PolarHBondContact O-N 3.48Å
97L86.1Confident91.4Very high89 Ų8956.9 Ų56.947%0.46631%0.306SS..  trans-86.9124.3175.8-60.2-176.2000110W94 G95W94-L97 HydrophobicContact CE3-CD1 3.58Å; W94-L97 HydrophobicContact CZ3-CD1 3.57Å; W94-L97 PolarHBondContact O-N 3.5Å; W94-L97 VanDerWaalsContact O-N 3.12Å; G95-L97 VanDerWaalsContact C-N 3.29Å
98S73.3Confident91.5Very high93 Ų9356.6 Ų56.665%0.6531%0.305SS*.  trans-79.1-16.9-175.952.60000114.2K103S98-K103 VanDerWaalsContact O-CD 3.26Å; S98-K103 WeakPolarHBondContact O-CD 3.38Å
99E75.6Confident91.6Very high160 Ų16055 Ų5575%0.74829%0.291SS*.SBendtrans-142.9164.3-170.4-64.5-173.8179.100113.5
100G84.2Confident91.7Very high49 Ų4956.6 Ų56.651%0.50529%0.294SS..Hα-helixtrans70-160.8177.100000114.9G102 K103G100-G102 PolarHBondContact O-N 3.04Å; G100-K103 PolarHBondContact O-N 2.92Å
101Y91.2Very high91.8Very high19 Ų1955.2 Ų55.28%0.07529%0.288CS..Hα-helixtrans-59.7-26.4-179.4-77.6-80.6000113.6E18 V56 W59 L104 C105 R187E18-Y101 HydrophobicContact CG-CE2 4.09Å; E18-Y101 WeakPolarHBondContact CG-OH 3.44Å; E18-Y101 WeakPolarHBondContact OE1-CE2 3.39Å; E18-Y101 VanDerWaalsContact OE1-CZ 3.31Å; E18-Y101 PolarHBondContact OE1-OH 3Å; V56-Y101 HydrophobicContact CG2-CD2 3.87Å; V56-Y101 HydrophobicContact CG2-CE2 3.84Å; V56-Y101 HydrophobicContact CG2-CG 4.44Å; W59-Y101 HydrophobicContact CB-CD1 3.65Å; W59-Y101 HydrophobicContact CB-CE1 4.06Å; W59-Y101 AromaticContact CD1-CD1 3.88Å; W59-Y101 AromaticContact CD1-CE1 3.44Å; W59-Y101 VanDerWaalsContact CD1-CE1 3.44Å; W59-Y101 AromaticContact CD2-CD1 3.87Å; W59-Y101 HydrophobicContact CD2-CD1 3.87Å; W59-Y101 HydrophobicContact CD2-CE1 4.06Å; W59-Y101 HydrophobicContact CE3-CD1 4.43Å; W59-Y101 AromaticContact CG-CD1 3.5Å; W59-Y101 HydrophobicContact CG-CD1 3.5Å; W59-Y101 AromaticContact CG-CE1 3.57Å; W59-Y101 HydrophobicContact CG-CE1 3.57Å; W59-Y101 AromaticContact NE1-CE1 3.81Å; Y101-L104 HydrophobicContact CD1-CD1 4.45Å; Y101-L104 PolarHBondContact O-N 3.13Å; Y101-C105 WeakPolarHBondContact O-CB 3.49Å; Y101-C105 PolarHBondContact O-N 2.94Å; Y101-C105 PolarHBondContact O-SG 2.96Å; Y101-R187 HydrophobicContact CE1-CG 3.65Å; Y101-R187 VanDerWaalsContact OH-CG 3.25Å; Y101-R187 WeakPolarHBondContact OH-CG 3.18Å; Y101-R187 PolarHBondContact OH-NE 3.44Å
102G92.3Very high91.9Very high3 Ų355 Ų553%0.03129%0.286CS..Hα-helixtrans-57.8-54.4179.300000111.8W94 G100 L104 C105 S106W94-G102 WeakPolarHBondContact CB-O 3.42Å; G100-G102 PolarHBondContact O-N 3.04Å; G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 3.05Å; G102-C105 PolarHBondContact O-N 3.3Å; G102-S106 PolarHBondContact O-N 2.85Å
103K92.5Very high92.1Very high110 Ų11048.5 Ų48.548%0.47826%0.263SS..Hα-helixtrans-56.8-43.1175.5-176.8170.8176.2-178.80112.1S98 G100 S106 I107S98-K103 VanDerWaalsContact O-CD 3.26Å; S98-K103 WeakPolarHBondContact O-CD 3.38Å; G100-K103 PolarHBondContact O-N 2.92Å; K103-S106 PolarHBondContact O-N 2.98Å; K103-I107 HydrophobicContact CG-CD1 4.2Å; K103-I107 WeakPolarHBondContact O-CG1 3.39Å; K103-I107 PolarHBondContact O-N 3.33Å
104L95.1Very high92.2Very high5 Ų545.4 Ų45.43%0.02625%0.25CC..Hα-helixtrans-63.8-43178.3-59.1-179.8000112.3W59 Y101 G102 S106 I107 Y108 G167 V168W59-L104 HydrophobicContact CE3-CB 3.88Å; W59-L104 HydrophobicContact CH2-CB 4.16Å; W59-L104 HydrophobicContact CH2-CD1 4.47Å; W59-L104 HydrophobicContact CZ3-CB 3.49Å; W59-L104 VanDerWaalsContact CZ3-CB 3.49Å; W59-L104 HydrophobicContact CZ3-CD1 4.48Å; Y101-L104 HydrophobicContact CD1-CD1 4.45Å; Y101-L104 PolarHBondContact O-N 3.13Å; G102-L104 VanDerWaalsContact C-N 3.28Å; G102-L104 PolarHBondContact O-N 3.05Å; L104-S106 VanDerWaalsContact C-N 3.35Å; L104-S106 PolarHBondContact O-N 3.48Å; L104-I107 PolarHBondContact O-N 3.03Å; L104-Y108 WeakPolarHBondContact O-CB 3.33Å; L104-Y108 PolarHBondContact O-N 3.08Å; L104-G167 VanDerWaalsContact CD2-O 3.31Å; L104-G167 WeakPolarHBondContact CD2-O 3.43Å; L104-V168 HydrophobicContact CD1-CG2 4.49Å; L104-V168 HydrophobicContact CD2-CG2 4.21Å
105C96.8Very high92.4Very high0 Ų044.5 Ų44.50%025%0.246CC..Hα-helixtrans-63.3-40.9177-68.70000111.2A55 C58 W59 W94 Y101 G102 I107 Y108 L109A55-C105 PolarHBondContact O-SG 3.23Å; C58-C105 HydrophobicContact CB-CB 4.38Å; W59-C105 PolarHBondContact N-SG 2.93Å; W59-C105 VanDerWaalsContact N-SG 3.43Å; W94-C105 HydrophobicContact CB-CB 4.47Å; W94-C105 HydrophobicContact CG-CB 4.15Å; Y101-C105 WeakPolarHBondContact O-CB 3.49Å; Y101-C105 PolarHBondContact O-N 2.94Å; Y101-C105 PolarHBondContact O-SG 2.96Å; G102-C105 PolarHBondContact O-N 3.3Å; C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3.49Å; C105-Y108 PolarHBondContact O-N 3.31Å; C105-L109 WeakPolarHBondContact O-CB 3.44Å; C105-L109 WeakPolarHBondContact O-CD1 3.37Å; C105-L109 VanDerWaalsContact O-CG 3.22Å; C105-L109 WeakPolarHBondContact O-CG 3.45Å; C105-L109 PolarHBondContact O-N 3.48Å
106S96.4Very high92.8Very high6 Ų642.4 Ų42.44%0.04223%0.225CC..Hα-helixtrans-57.8-46.9175.3-175.10000111.7S91 G95 G102 K103 L104 K110S91-S106 WeakPolarHBondContact O-CB 3.41Å; S91-S106 PolarHBondContact O-OG 3.47Å; S91-S106 PolarHBondContact OG-O 3.02Å; S91-S106 PolarHBondContact OG-OG 2.96Å; G95-S106 WeakPolarHBondContact CA-OG 3.47Å; G95-S106 PolarHBondContact N-OG 3.34Å; G102-S106 PolarHBondContact O-N 2.85Å; K103-S106 PolarHBondContact O-N 2.98Å; L104-S106 VanDerWaalsContact C-N 3.35Å; L104-S106 PolarHBondContact O-N 3.48Å; S106-K110 WeakPolarHBondContact O-CG 3.35Å; S106-K110 PolarHBondContact O-N 2.91Å
107I96.8Very high93.2Very high39 Ų3937.8 Ų37.820%0.220%0.203CC..Hα-helixtrans-66.4-43.7178.7-60.5164.3000110.6K103 L104 C105 K110 L111 N163 L164K103-I107 HydrophobicContact CG-CD1 4.2Å; K103-I107 WeakPolarHBondContact O-CG1 3.39Å; K103-I107 PolarHBondContact O-N 3.33Å; L104-I107 PolarHBondContact O-N 3.03Å; C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3.49Å; I107-K110 WeakPolarHBondContact O-CB 3.35Å; I107-K110 PolarHBondContact O-N 3.48Å; I107-L111 PolarHBondContact O-N 3.31Å; I107-N163 HydrophobicContact CG2-CB 4.34Å; I107-L164 HydrophobicContact CB-CD1 4.48Å; I107-L164 HydrophobicContact CG2-CB 4.02Å; I107-L164 HydrophobicContact CG2-CD1 4.23Å
108Y98.1Very high93.7Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-66.7-42.6-178.9-155.5168.5000111.8W59 C62 H63 H66 L104 C105 K110 L111 L112 L164 P190W59-Y108 AromaticContact CE3-CD1 3.82Å; W59-Y108 HydrophobicContact CE3-CD1 3.82Å; W59-Y108 AromaticContact CH2-CD1 3.9Å; W59-Y108 HydrophobicContact CH2-CD1 3.9Å; W59-Y108 HydrophobicContact CH2-CE1 4.36Å; W59-Y108 AromaticContact CZ3-CD1 3.46Å; W59-Y108 HydrophobicContact CZ3-CD1 3.46Å; W59-Y108 VanDerWaalsContact CZ3-CD1 3.46Å; W59-Y108 HydrophobicContact CZ3-CE1 4.31Å; W59-Y108 HydrophobicContact CZ3-CG 4.21Å; C62-Y108 HydrophobicContact CB-CD1 3.25Å; C62-Y108 HydrophobicContact CB-CD2 4.12Å; C62-Y108 HydrophobicContact CB-CE1 3.59Å; C62-Y108 HydrophobicContact CB-CE2 4.4Å; C62-Y108 HydrophobicContact CB-CG 3.56Å; H63-Y108 HydrophobicContact CB-CE1 4.47Å; H66-Y108 HydrophobicContact CB-CE2 4.08Å; H66-Y108 WeakPolarHBondContact CB-OH 3.33Å; H66-Y108 AromaticContact ND1-CE2 3.5Å; H66-Y108 AromaticContact ND1-CZ 3.69Å; H66-Y108 PolarHBondContact ND1-OH 3.39Å; L104-Y108 WeakPolarHBondContact O-CB 3.33Å; L104-Y108 PolarHBondContact O-N 3.08Å; C105-Y108 PolarHBondContact O-N 3.31Å; Y108-K110 VanDerWaalsContact C-N 3.28Å; Y108-K110 PolarHBondContact O-N 2.95Å; Y108-L111 HydrophobicContact CD2-CB 4.41Å; Y108-L111 HydrophobicContact CD2-CD2 3.99Å; Y108-L111 HydrophobicContact CE2-CD2 3.98Å; Y108-L111 WeakPolarHBondContact O-CA 3.39Å; Y108-L111 WeakPolarHBondContact O-CB 3.37Å; Y108-L111 PolarHBondContact O-N 2.74Å; Y108-L111 VanDerWaalsContact O-N 3.08Å; Y108-L112 HydrophobicContact CD2-CD1 4.08Å; Y108-L112 HydrophobicContact CD2-CD2 4.21Å; Y108-L112 HydrophobicContact CD2-CG 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 4.23Å; Y108-L112 HydrophobicContact CE2-CD2 3.83Å; Y108-L112 HydrophobicContact CE2-CG 4.01Å; Y108-L112 WeakPolarHBondContact O-CG 3.48Å; Y108-L112 PolarHBondContact O-N 3.07Å; Y108-L164 HydrophobicContact CD1-CD1 4.35Å; Y108-L164 HydrophobicContact CD1-CD2 4.05Å; Y108-L164 HydrophobicContact CD2-CD2 3.42Å; Y108-L164 VanDerWaalsContact CD2-CD2 3.42Å; Y108-L164 HydrophobicContact CE1-CD2 4.25Å; Y108-L164 HydrophobicContact CE2-CD2 3.64Å; Y108-L164 HydrophobicContact CG-CD1 4Å; Y108-L164 HydrophobicContact CG-CD2 3.62Å; Y108-L164 HydrophobicContact CG-CG 4.5Å; Y108-P190 HydrophobicContact CE1-CB 3.6Å; Y108-P190 HydrophobicContact CE1-CG 4.12Å
109L98Very high94.8Very high0 Ų029.8 Ų29.80%015%0.153CC..Hα-helixtrans-60-38.5175.5-72.6166.5000111.9F61 L87 M90 C105 L112 I113F61-L109 HydrophobicContact CE1-CD2 4.02Å; L87-L109 HydrophobicContact CB-CD2 4.49Å; L87-L109 HydrophobicContact CD2-CD2 3.77Å; M90-L109 HydrophobicContact CB-CD1 3.99Å; M90-L109 HydrophobicContact CG-CD1 3.77Å; M90-L109 HydrophobicContact SD-CD1 3.98Å; M90-L109 HydrophobicContact SD-CD2 4.49Å; C105-L109 WeakPolarHBondContact O-CB 3.44Å; C105-L109 WeakPolarHBondContact O-CD1 3.37Å; C105-L109 VanDerWaalsContact O-CG 3.22Å; C105-L109 WeakPolarHBondContact O-CG 3.45Å; C105-L109 PolarHBondContact O-N 3.48Å; L109-L112 PolarHBondContact O-N 3.02Å; L109-I113 WeakPolarHBondContact O-CD1 3.43Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.43Å
110K97.7Very high95.8Very high113 Ų11325.7 Ų25.749%0.49114%0.136SC..Hα-helixtrans-62.4-42.3173.3-71.3173-175.4176.70111.9S91 S106 I107 Y108 I113 T114S91-K110 WeakPolarHBondContact OG-CG 3.46Å; S106-K110 WeakPolarHBondContact O-CG 3.35Å; S106-K110 PolarHBondContact O-N 2.91Å; I107-K110 WeakPolarHBondContact O-CB 3.35Å; I107-K110 PolarHBondContact O-N 3.48Å; Y108-K110 VanDerWaalsContact C-N 3.28Å; Y108-K110 PolarHBondContact O-N 2.95Å; K110-I113 PolarHBondContact O-N 2.84Å; K110-T114 WeakPolarHBondContact O-CB 3.44Å; K110-T114 PolarHBondContact O-N 2.89Å; K110-T114 PolarHBondContact O-OG1 3.06Å
111L98.1Very high96.3Very high0 Ų029.4 Ų29.40%014%0.138CC..Hα-helixtrans-59-49174.7171.164.8000111.3I107 Y108 I113 T114 K115 Y157 C160 E161 L164I107-L111 PolarHBondContact O-N 3.31Å; Y108-L111 HydrophobicContact CD2-CB 4.41Å; Y108-L111 HydrophobicContact CD2-CD2 3.99Å; Y108-L111 HydrophobicContact CE2-CD2 3.98Å; Y108-L111 WeakPolarHBondContact O-CA 3.39Å; Y108-L111 WeakPolarHBondContact O-CB 3.37Å; Y108-L111 PolarHBondContact O-N 2.74Å; Y108-L111 VanDerWaalsContact O-N 3.08Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.42Å; L111-T114 WeakPolarHBondContact O-CB 3.34Å; L111-T114 PolarHBondContact O-N 3.46Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-K115 WeakPolarHBondContact O-CB 3.49Å; L111-K115 PolarHBondContact O-N 3.39Å; L111-Y157 HydrophobicContact CD1-CD2 4.01Å; L111-Y157 HydrophobicContact CD1-CE2 3.81Å; L111-C160 HydrophobicContact CB-CB 4.3Å; L111-C160 HydrophobicContact CD1-CB 3.63Å; L111-E161 VanDerWaalsContact CD1-CD 3.5Å; L111-E161 HydrophobicContact CD1-CG 3.77Å; L111-E161 WeakPolarHBondContact CD1-OE1 3.42Å; L111-E161 VanDerWaalsContact CD2-OE2 3.29Å; L111-E161 WeakPolarHBondContact CD2-OE2 3.32Å; L111-L164 HydrophobicContact CD2-CB 4.34Å; L111-L164 HydrophobicContact CD2-CD2 3.48Å; L111-L164 VanDerWaalsContact CD2-CD2 3.48Å
112L98.1Very high96.4Very high0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-64.5-38.1-177.9-62.2173.3000112.2C62 F65 H66 L69 Y108 L109 K115 M116C62-L112 HydrophobicContact CB-CD1 3.77Å; F65-L112 HydrophobicContact CD1-CB 4.48Å; F65-L112 HydrophobicContact CD1-CD1 3.89Å; F65-L112 HydrophobicContact CE1-CB 4.49Å; H66-L112 HydrophobicContact CB-CD2 3.7Å; L69-L112 HydrophobicContact CD1-CB 4.46Å; L69-L112 HydrophobicContact CD1-CD2 3.96Å; Y108-L112 HydrophobicContact CD2-CD1 4.08Å; Y108-L112 HydrophobicContact CD2-CD2 4.21Å; Y108-L112 HydrophobicContact CD2-CG 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 4.23Å; Y108-L112 HydrophobicContact CE2-CD2 3.83Å; Y108-L112 HydrophobicContact CE2-CG 4.01Å; Y108-L112 WeakPolarHBondContact O-CG 3.48Å; Y108-L112 PolarHBondContact O-N 3.07Å; L109-L112 PolarHBondContact O-N 3.02Å; L112-K115 PolarHBondContact O-N 3Å; L112-M116 WeakPolarHBondContact O-CB 3.29Å; L112-M116 VanDerWaalsContact O-CG 3.32Å; L112-M116 WeakPolarHBondContact O-CG 3.48Å; L112-M116 PolarHBondContact O-N 3.05Å
113I97.8Very high96.4Very high18 Ų1834.7 Ų34.79%0.09217%0.172CC..Hα-helixtrans-62.6-46.4172.9-67.3162.1000110.3K84 L87 A88 L109 K110 L111 K115 M116 E117K84-I113 HydrophobicContact CG-CG2 4.31Å; L87-I113 HydrophobicContact CB-CD1 4.02Å; L87-I113 HydrophobicContact CB-CG1 4.08Å; A88-I113 HydrophobicContact CB-CD1 4.02Å; L109-I113 WeakPolarHBondContact O-CD1 3.43Å; L109-I113 VanDerWaalsContact O-CG1 3.24Å; L109-I113 WeakPolarHBondContact O-CG1 3.49Å; L109-I113 PolarHBondContact O-N 3.43Å; K110-I113 PolarHBondContact O-N 2.84Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.42Å; I113-K115 PolarHBondContact O-N 2.85Å; I113-M116 PolarHBondContact O-N 3.13Å; I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CG 3.45Å; I113-E117 PolarHBondContact O-N 2.9Å
114T97.8Very high96.3Very high30 Ų3035.7 Ų35.718%0.18417%0.173CC..Hα-helixtrans-61.6-44.8178.6-550000111.3K110 L111 M116 E117 F118K110-T114 WeakPolarHBondContact O-CB 3.44Å; K110-T114 PolarHBondContact O-N 2.89Å; K110-T114 PolarHBondContact O-OG1 3.06Å; L111-T114 WeakPolarHBondContact O-CB 3.34Å; L111-T114 PolarHBondContact O-N 3.46Å; L111-T114 VanDerWaalsContact O-N 3.15Å; T114-M116 PolarHBondContact O-N 3.35Å; T114-E117 PolarHBondContact O-N 3.2Å; T114-F118 WeakPolarHBondContact O-CB 3.37Å; T114-F118 PolarHBondContact O-N 2.84Å
115K97.3Very high96.2Very high0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-57.3-49.6174.4179.6172.9-174.483.40111L69 L111 L112 I113 E117 F118 H119 G127 Y157 D197L69-K115 HydrophobicContact CB-CD 4.07Å; L69-K115 HydrophobicContact CD1-CD 4.13Å; L69-K115 HydrophobicContact CD1-CG 4.46Å; L111-K115 WeakPolarHBondContact O-CB 3.49Å; L111-K115 PolarHBondContact O-N 3.39Å; L112-K115 PolarHBondContact O-N 3Å; I113-K115 PolarHBondContact O-N 2.85Å; K115-E117 PolarHBondContact O-N 2.92Å; K115-F118 PolarHBondContact O-N 3.48Å; K115-H119 PolarHBondContact O-CD2 2.99Å; K115-H119 PolarHBondContact O-N 3.48Å; K115-H119 VanDerWaalsContact O-N 3.08Å; K115-G127 PolarHBondContact NZ-O 3.33Å; K115-Y157 HydrophobicContact CB-CE1 4.49Å; K115-Y157 HydrophobicContact CB-CE2 3.94Å; K115-Y157 WeakPolarHBondContact CD-OH 3.27Å; K115-Y157 WeakPolarHBondContact CE-OH 3.42Å; K115-Y157 HydrophobicContact CG-CE1 4.31Å; K115-Y157 HydrophobicContact CG-CE2 4.32Å; K115-Y157 WeakPolarHBondContact CG-OH 3.42Å; K115-Y157 PolarHBondContact NZ-OH 3.42Å; K115-D197 IonicContact NZ-OD1 3.53Å; K115-D197 IonicContact NZ-OD2 3.64Å; K115-D197 PolarHBondContact NZ-OD2 3.37Å
116M97.1Very high96.1Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-59.6-46.7177.2-75.7172.11600112.2F65 L69 M81 K84 L87 L112 I113 T114 H119 I120F65-M116 HydrophobicContact CE1-SD 3.8Å; F65-M116 HydrophobicContact CZ-SD 3.66Å; L69-M116 HydrophobicContact CD1-CG 4.03Å; L69-M116 HydrophobicContact CD2-CG 3.89Å; M81-M116 HydrophobicContact SD-CB 3.93Å; M81-M116 HydrophobicContact SD-CE 3.65Å; K84-M116 HydrophobicContact CB-CE 4.17Å; L87-M116 HydrophobicContact CD1-CE 4.41Å; L87-M116 HydrophobicContact CD1-SD 4.32Å; L112-M116 WeakPolarHBondContact O-CB 3.29Å; L112-M116 VanDerWaalsContact O-CG 3.32Å; L112-M116 WeakPolarHBondContact O-CG 3.48Å; L112-M116 PolarHBondContact O-N 3.05Å; I113-M116 PolarHBondContact O-N 3.13Å; T114-M116 PolarHBondContact O-N 3.35Å; M116-H119 PolarHBondContact O-N 3.47Å; M116-I120 WeakPolarHBondContact O-CB 3.41Å; M116-I120 VanDerWaalsContact O-CG1 3.24Å; M116-I120 WeakPolarHBondContact O-CG1 3.43Å; M116-I120 PolarHBondContact O-N 2.95Å
117E97Very high95.9Very high60 Ų6038.5 Ų38.528%0.2819%0.193SC..Hα-helixtrans-61.7-44178-73.2178.4163.600112.2K84 I113 T114 K115 H119 I120 K121K84-E117 WeakPolarHBondContact CE-OE1 3.47Å; K84-E117 IonicContact NZ-OE1 2.8Å; K84-E117 PolarHBondContact NZ-OE1 3.01Å; I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CG 3.45Å; I113-E117 PolarHBondContact O-N 2.9Å; T114-E117 PolarHBondContact O-N 3.2Å; K115-E117 PolarHBondContact O-N 2.92Å; E117-H119 PolarHBondContact O-N 3.05Å; E117-I120 PolarHBondContact O-N 3.14Å; E117-K121 WeakPolarHBondContact O-CG 3.34Å; E117-K121 PolarHBondContact O-N 2.73Å
118F97.2Very high95.7Very high6 Ų638.3 Ų38.33%0.02619%0.192CC..Hα-helixtrans-56.9-50.7176.7174.9-96.1000111.2T114 K115 I120 K121 N122 F125 L129 L150 E153 M154 Y157T114-F118 WeakPolarHBondContact O-CB 3.37Å; T114-F118 PolarHBondContact O-N 2.84Å; K115-F118 PolarHBondContact O-N 3.48Å; F118-I120 VanDerWaalsContact C-N 3.35Å; F118-I120 PolarHBondContact O-N 2.92Å; F118-K121 PolarHBondContact O-N 3.24Å; F118-N122 HydrophobicContact CZ-CB 4.38Å; F118-N122 VanDerWaalsContact O-CB 3.31Å; F118-N122 WeakPolarHBondContact O-CB 3.41Å; F118-N122 PolarHBondContact O-N 3.37Å; F118-N122 PolarHBondContact O-ND2 3.39Å; F118-F125 HydrophobicContact CE1-CB 3.96Å; F118-F125 HydrophobicContact CE1-CD1 4.02Å; F118-F125 HydrophobicContact CE1-CD2 4.43Å; F118-F125 AromaticContact CE1-CG 3.86Å; F118-F125 HydrophobicContact CE1-CG 3.86Å; F118-F125 HydrophobicContact CZ-CD1 4.02Å; F118-F125 HydrophobicContact CZ-CD2 4.27Å; F118-F125 HydrophobicContact CZ-CE1 4.34Å; F118-F125 HydrophobicContact CZ-CG 4.02Å; F118-L129 HydrophobicContact CE1-CD2 4.01Å; F118-L150 HydrophobicContact CE2-CD1 4.04Å; F118-L150 HydrophobicContact CZ-CD1 4.2Å; F118-E153 HydrophobicContact CD2-CB 4.06Å; F118-E153 HydrophobicContact CE2-CB 4.22Å; F118-M154 HydrophobicContact CE2-CG 4.1Å; F118-M154 HydrophobicContact CZ-CE 4.21Å; F118-M154 HydrophobicContact CZ-CG 4.29Å; F118-Y157 HydrophobicContact CB-CD1 4.17Å; F118-Y157 AromaticContact CD1-CD1 3.89Å; F118-Y157 HydrophobicContact CD1-CD1 3.89Å; F118-Y157 AromaticContact CD1-CE1 3.98Å; F118-Y157 HydrophobicContact CD1-CE1 3.98Å; F118-Y157 HydrophobicContact CD2-CD1 4.32Å; F118-Y157 HydrophobicContact CE1-CD1 4.4Å; F118-Y157 AromaticContact CG-CD1 3.85Å; F118-Y157 HydrophobicContact CG-CD1 3.85Å; F118-Y157 HydrophobicContact CG-CE1 4.34Å
119H96.1Very high95.5Very high8 Ų838.3 Ų38.34%0.03719%0.192CC..Hα-helixtrans-72.1-26.1-178.4-71.7-70.5000113.6I77 K115 M116 E117 N122 P123 F125 P126I77-H119 HydrophobicContact CD1-CB 3.74Å; I77-H119 HydrophobicContact CG2-CB 4.01Å; K115-H119 PolarHBondContact O-CD2 2.99Å; K115-H119 PolarHBondContact O-N 3.48Å; K115-H119 VanDerWaalsContact O-N 3.08Å; M116-H119 PolarHBondContact O-N 3.47Å; E117-H119 PolarHBondContact O-N 3.05Å; H119-N122 CarbonylContact O-C 3.59Å; H119-P123 WeakPolarHBondContact O-CA 3.43Å; H119-F125 PolarHBondContact ND1-O 2.92Å; H119-P126 PolarHBondContact CE1-O 3.06Å
120I95.7Very high95.1Very high74 Ų7443.8 Ų43.838%0.37922%0.218SC..Hα-helixtrans-71-41.6172.2-72-69.1000111.2I77 K78 M81 M116 E117 F118I77-I120 HydrophobicContact CG2-CD1 4.17Å; I77-I120 HydrophobicContact CG2-CG1 4.11Å; K78-I120 HydrophobicContact CG-CD1 4.11Å; M81-I120 HydrophobicContact CE-CG1 4.31Å; M81-I120 HydrophobicContact CG-CD1 3.81Å; M81-I120 HydrophobicContact CG-CG1 3.71Å; M81-I120 HydrophobicContact SD-CG1 3.8Å; M116-I120 WeakPolarHBondContact O-CB 3.41Å; M116-I120 VanDerWaalsContact O-CG1 3.24Å; M116-I120 WeakPolarHBondContact O-CG1 3.43Å; M116-I120 PolarHBondContact O-N 2.95Å; E117-I120 PolarHBondContact O-N 3.14Å; F118-I120 VanDerWaalsContact C-N 3.35Å; F118-I120 PolarHBondContact O-N 2.92Å
121K94.9Very high94.7Very high127 Ų12739.5 Ų39.555%0.55220%0.2SC*.Hα-helixtrans-69.4-36.2174.8-70.3176177.8-177.70112E117 F118 P123 E153E117-K121 WeakPolarHBondContact O-CG 3.34Å; E117-K121 PolarHBondContact O-N 2.73Å; F118-K121 PolarHBondContact O-N 3.24Å; K121-P123 VanDerWaalsContact C-CD 3.43Å; K121-P123 WeakPolarHBondContact O-CD 3.5Å; K121-E153 WeakPolarHBondContact CD-OE1 3.47Å; K121-E153 IonicContact NZ-OE1 3.62Å; K121-E153 PolarHBondContact NZ-OE1 3.03Å
122N94.1Very high94.2Very high28 Ų2842.2 Ų42.215%0.1522%0.219CC..  trans-118.969.1-174.4-57.7-76000111.5F118 H119 R124 F125 E153F118-N122 HydrophobicContact CZ-CB 4.38Å; F118-N122 VanDerWaalsContact O-CB 3.31Å; F118-N122 WeakPolarHBondContact O-CB 3.41Å; F118-N122 PolarHBondContact O-N 3.37Å; F118-N122 PolarHBondContact O-ND2 3.39Å; H119-N122 CarbonylContact O-C 3.59Å; N122-R124 PolarHBondContact O-N 3.38Å; N122-F125 HydrophobicContact CB-CD2 3.67Å; N122-F125 HydrophobicContact CB-CE2 4.24Å; N122-F125 HydrophobicContact CB-CG 4.47Å; N122-F125 PolarHBondContact O-N 2.69Å; N122-E153 PolarHBondContact ND2-OE2 3.34Å
123P91.7Very high93.6Very high104 Ų10446.6 Ų46.668%0.67524%0.242SC*.THydrogen-bonded Turntrans-66.8-11.8-171.827.7-36.6000114.6H119 K121 F125H119-P123 WeakPolarHBondContact O-CA 3.43Å; K121-P123 VanDerWaalsContact C-CD 3.43Å; K121-P123 WeakPolarHBondContact O-CD 3.5Å; P123-F125 VanDerWaalsContact C-N 3.27Å
124R90.8Very high93.1Very high132 Ų13254.5 Ų54.550%0.49827%0.271SS..THydrogen-bonded Turntrans-73.8-19.3173.6-63.2178.5-173.1-152.514.9112.6N122 P126 E138 A139 E141N122-R124 PolarHBondContact O-N 3.38Å; R124-P126 WeakPolarHBondContact O-CD 3.48Å; R124-E138 VanDerWaalsContact NH1-C 3.31Å; R124-E138 PolarHBondContact NH1-O 2.79Å; R124-A139 HydrophobicContact CB-CB 4.38Å; R124-E141 IonicContact CZ-OE1 2.77Å; R124-E141 IonicContact NH2-OE1 2.58Å; R124-E141 PolarHBondContact NH2-OE1 3.4Å
125F93.8Very high92.8Very high8 Ų857.9 Ų57.94%0.03528%0.284CS..SBendtrans-83.9117.5177.9-75.4-101000110.5F118 H119 N122 P123 L129 M131 L136 A139 L150 M154 Y204F118-F125 HydrophobicContact CE1-CB 3.96Å; F118-F125 HydrophobicContact CE1-CD1 4.02Å; F118-F125 HydrophobicContact CE1-CD2 4.43Å; F118-F125 AromaticContact CE1-CG 3.86Å; F118-F125 HydrophobicContact CE1-CG 3.86Å; F118-F125 HydrophobicContact CZ-CD1 4.02Å; F118-F125 HydrophobicContact CZ-CD2 4.27Å; F118-F125 HydrophobicContact CZ-CE1 4.34Å; F118-F125 HydrophobicContact CZ-CG 4.02Å; H119-F125 PolarHBondContact ND1-O 2.92Å; N122-F125 HydrophobicContact CB-CD2 3.67Å; N122-F125 HydrophobicContact CB-CE2 4.24Å; N122-F125 HydrophobicContact CB-CG 4.47Å; N122-F125 PolarHBondContact O-N 2.69Å; P123-F125 VanDerWaalsContact C-N 3.27Å; F125-L129 HydrophobicContact CD1-CD2 4.09Å; F125-M131 HydrophobicContact CB-CE 3.97Å; F125-M131 HydrophobicContact CD1-CE 3.06Å; F125-M131 HydrophobicContact CD1-SD 3.94Å; F125-M131 HydrophobicContact CD2-CE 3.94Å; F125-M131 HydrophobicContact CE1-CE 3.27Å; F125-M131 HydrophobicContact CE1-SD 3.48Å; F125-M131 WeakPolarHBondContact CE1-SD 3.39Å; F125-M131 HydrophobicContact CE2-CE 4.17Å; F125-M131 HydrophobicContact CG-CE 3.4Å; F125-M131 VanDerWaalsContact CG-CE 3.4Å; F125-M131 HydrophobicContact CZ-CE 3.84Å; F125-M131 HydrophobicContact CZ-SD 3.9Å; F125-L136 HydrophobicContact CE1-CD1 4.08Å; F125-L136 HydrophobicContact CZ-CD1 3.8Å; F125-A139 HydrophobicContact CE2-CB 3.77Å; F125-A139 HydrophobicContact CZ-CB 4.23Å; F125-L150 HydrophobicContact CE2-CD1 3.76Å; F125-L150 HydrophobicContact CE2-CD2 4.15Å; F125-L150 HydrophobicContact CZ-CD1 3.9Å; F125-L150 HydrophobicContact CZ-CD2 3.94Å; F125-L150 HydrophobicContact CZ-CG 4.44Å; F125-M154 HydrophobicContact CD1-CE 4.17Å; F125-M154 HydrophobicContact CE1-CE 3.21Å; F125-M154 HydrophobicContact CZ-CE 3.47Å; F125-M154 VanDerWaalsContact CZ-CE 3.47Å; F125-Y204 HydrophobicContact CE1-CD2 4.29Å; F125-Y204 HydrophobicContact CE1-CE2 4.45Å
126P93.4Very high92.4Very high49 Ų4958 Ų5832%0.31829%0.285SS..  trans-67.1156.2172.730-33.5000110.4H119 R124 N128 L129 Q130H119-P126 PolarHBondContact CE1-O 3.06Å; R124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-N128 WeakPolarHBondContact CG-OD1 3.36Å; P126-N128 PolarHBondContact O-N 3.47Å; P126-N128 VanDerWaalsContact O-N 3.16Å; P126-L129 WeakPolarHBondContact O-CA 3.43Å; P126-L129 PolarHBondContact O-N 3Å; P126-Q130 WeakPolarHBondContact CG-O 3.49Å
127G91.7Very high91.9Very high12 Ų1261.2 Ų61.212%0.12430%0.302CS..THydrogen-bonded Turntrans-58-29.7-17700000114.7L69 R70 K115 L129L69-G127 VanDerWaalsContact O-CA 3.29Å; L69-G127 WeakPolarHBondContact O-CA 3.33Å; R70-G127 CarbonylContact O-C 3.36Å; K115-G127 PolarHBondContact NZ-O 3.33Å; G127-L129 VanDerWaalsContact C-N 3.31Å
128N92.6Very high91.6Very high35 Ų3562.2 Ų62.219%0.18731%0.307CS..THydrogen-bonded Turntrans-85.90.9175.970.8-4.6000114.5R70 P126 Q130R70-N128 HydrophobicContact CG-CB 3.8Å; R70-N128 PolarHBondContact NH1-O 2.94Å; R70-N128 PolarHBondContact NH2-O 3.32Å; R70-N128 PolarHBondContact O-N 3.46Å; R70-N128 VanDerWaalsContact O-N 3.13Å; P126-N128 WeakPolarHBondContact CG-OD1 3.36Å; P126-N128 PolarHBondContact O-N 3.47Å; P126-N128 VanDerWaalsContact O-N 3.16Å; N128-Q130 PolarHBondContact ND2-OE1 3.45Å; N128-Q130 PolarHBondContact O-N 3Å; N128-Q130 VanDerWaalsContact O-N 3.09Å; N128-Q130 PolarHBondContact OD1-N 3.44Å; N128-Q130 VanDerWaalsContact OD1-N 3.12Å
129L94.4Very high91.2Very high0 Ų062.7 Ų62.70%031%0.312CS..  trans59.312.1-179.1-59.4169.6000114.7F118 F125 P126 G127 M131 Y157 D197 H200 L201 Y204F118-L129 HydrophobicContact CE1-CD2 4.01Å; F125-L129 HydrophobicContact CD1-CD2 4.09Å; P126-L129 WeakPolarHBondContact O-CA 3.43Å; P126-L129 PolarHBondContact O-N 3Å; G127-L129 VanDerWaalsContact C-N 3.31Å; L129-M131 PolarHBondContact O-N 3.27Å; L129-Y157 HydrophobicContact CD1-CE1 4.21Å; L129-Y157 HydrophobicContact CD2-CE1 4.5Å; L129-D197 HydrophobicContact CD1-CB 4.2Å; L129-H200 HydrophobicContact CB-CB 3.88Å; L129-H200 HydrophobicContact CD1-CB 4.49Å; L129-L201 HydrophobicContact CD1-CD1 4.48Å; L129-L201 HydrophobicContact CD1-CD2 4.03Å; L129-L201 HydrophobicContact CD1-CG 3.94Å; L129-Y204 HydrophobicContact CB-CE2 4.49Å; L129-Y204 VanDerWaalsContact O-CE2 3.23Å; L129-Y204 WeakPolarHBondContact O-CE2 3.39Å; L129-Y204 PolarHBondContact O-OH 3.11Å
130Q90.4Very high90.6Very high115 Ų11562.4 Ų62.454%0.53731%0.311SS..  trans-80.4109.3-179.8-69.9-175.9-18.200111.3P126 N128P126-Q130 WeakPolarHBondContact CG-O 3.49Å; N128-Q130 PolarHBondContact ND2-OE1 3.45Å; N128-Q130 PolarHBondContact O-N 3Å; N128-Q130 VanDerWaalsContact O-N 3.09Å; N128-Q130 PolarHBondContact OD1-N 3.44Å; N128-Q130 VanDerWaalsContact OD1-N 3.12Å
131M88.1Confident90.2Very high24 Ų2464.3 Ų64.312%0.11832%0.318CS..  trans-144.8153.7173.560.3173.162.300112.6F125 L129 Q135 L136 Y204F125-M131 HydrophobicContact CB-CE 3.97Å; F125-M131 HydrophobicContact CD1-CE 3.06Å; F125-M131 HydrophobicContact CD1-SD 3.94Å; F125-M131 HydrophobicContact CD2-CE 3.94Å; F125-M131 HydrophobicContact CE1-CE 3.27Å; F125-M131 HydrophobicContact CE1-SD 3.48Å; F125-M131 WeakPolarHBondContact CE1-SD 3.39Å; F125-M131 HydrophobicContact CE2-CE 4.17Å; F125-M131 HydrophobicContact CG-CE 3.4Å; F125-M131 VanDerWaalsContact CG-CE 3.4Å; F125-M131 HydrophobicContact CZ-CE 3.84Å; F125-M131 HydrophobicContact CZ-SD 3.9Å; L129-M131 PolarHBondContact O-N 3.27Å; M131-Q135 HydrophobicContact CB-CB 4.06Å; M131-L136 HydrophobicContact SD-CB 3.95Å; M131-L136 HydrophobicContact SD-CD1 3.94Å; M131-Y204 HydrophobicContact CG-CE1 4.13Å; M131-Y204 HydrophobicContact CG-CE2 3.91Å; M131-Y204 VanDerWaalsContact CG-CZ 3.45Å; M131-Y204 WeakPolarHBondContact CG-OH 3.28Å; M131-Y204 PolarHBondContact N-OH 3.32Å; M131-Y204 PolarHBondContact O-OH 2.97Å; M131-Y204 HydrophobicContact SD-CE2 4.39Å
132S88.1Confident89.6Confident57 Ų5764.6 Ų64.640%0.39933%0.326SS..  trans-74159.5173.565.70000112.1R134 Q135 L136S132-R134 PolarHBondContact O-N 2.97Å; S132-Q135 PolarHBondContact O-N 2.84Å; S132-Q135 WeakPolarHBondContact OG-CG 3.47Å; S132-Q135 PolarHBondContact OG-N 2.97Å; S132-Q135 PolarHBondContact OG-OE1 2.99Å; S132-L136 PolarHBondContact O-N 3.47Å
133N85.3Confident89.4Confident92 Ų9266.4 Ų66.449%0.49234%0.336SS..Hα-helixtrans-55-39.2176.4-67.6-11.7000112.3Q135 L136 D137 K207N133-Q135 PolarHBondContact O-N 2.85Å; N133-L136 WeakPolarHBondContact O-CB 3.49Å; N133-L136 PolarHBondContact O-N 3.25Å; N133-D137 PolarHBondContact O-N 2.94Å; N133-K207 WeakPolarHBondContact OD1-CE 3.42Å; N133-K207 PolarHBondContact OD1-NZ 2.65Å
134R87.7Confident89.4Confident183 Ų18363.5 Ų63.569%0.69132%0.316SS*.Hα-helixtrans-61.9-43.6177.1179.5179.4169.9168.62.2111.9S132 L136 D137 E138S132-R134 PolarHBondContact O-N 2.97Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-D137 PolarHBondContact O-N 3.34Å; R134-E138 WeakPolarHBondContact CG-OE1 3.46Å; R134-E138 IonicContact CZ-OE1 3.58Å; R134-E138 IonicContact NE-OE1 2.73Å; R134-E138 PolarHBondContact NE-OE1 3.48Å; R134-E138 IonicContact NH2-OE1 3.35Å; R134-E138 WeakPolarHBondContact O-CB 3.3Å; R134-E138 VanDerWaalsContact O-CG 3.29Å; R134-E138 WeakPolarHBondContact O-CG 3.28Å; R134-E138 PolarHBondContact O-N 2.93Å
135Q90.7Very high89.5Confident101 Ų10162.8 Ų62.847%0.47232%0.322SS..Hα-helixtrans-67.5-35.8178.2-72.1167.4-5600112M131 S132 N133 E138 A139M131-Q135 HydrophobicContact CB-CB 4.06Å; S132-Q135 PolarHBondContact O-N 2.84Å; S132-Q135 WeakPolarHBondContact OG-CG 3.47Å; S132-Q135 PolarHBondContact OG-N 2.97Å; S132-Q135 PolarHBondContact OG-OE1 2.99Å; N133-Q135 PolarHBondContact O-N 2.85Å; Q135-E138 PolarHBondContact O-N 3.37Å; Q135-A139 WeakPolarHBondContact O-CB 3.33Å; Q135-A139 PolarHBondContact O-N 3.42Å
136L89.9Confident89.5Confident3 Ų365.2 Ų65.22%0.01634%0.335CS..Hα-helixtrans-62.9-43.6173.4-178.267.1000111.4F125 M131 S132 N133 R134 A139 G140 M154 Y204 K207 L208F125-L136 HydrophobicContact CE1-CD1 4.08Å; F125-L136 HydrophobicContact CZ-CD1 3.8Å; M131-L136 HydrophobicContact SD-CB 3.95Å; M131-L136 HydrophobicContact SD-CD1 3.94Å; S132-L136 PolarHBondContact O-N 3.47Å; N133-L136 WeakPolarHBondContact O-CB 3.49Å; N133-L136 PolarHBondContact O-N 3.25Å; R134-L136 VanDerWaalsContact C-N 3.34Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 2.9Å; L136-G140 PolarHBondContact O-N 3.35Å; L136-M154 HydrophobicContact CD1-CE 4.27Å; L136-Y204 HydrophobicContact CD1-CD1 4.24Å; L136-Y204 HydrophobicContact CD1-CG 4.09Å; L136-Y204 HydrophobicContact CD2-CD1 3.6Å; L136-Y204 HydrophobicContact CD2-CE1 4.28Å; L136-Y204 HydrophobicContact CD2-CG 4.12Å; L136-Y204 HydrophobicContact CG-CD1 4.47Å; L136-K207 HydrophobicContact CD2-CB 4.09Å; L136-K207 HydrophobicContact CD2-CD 4.16Å; L136-L208 HydrophobicContact CD1-CD2 4.47Å; L136-L208 HydrophobicContact CG-CD2 4.46Å
137D87Confident89.5Confident67 Ų6763.2 Ų63.236%0.35832%0.321SS..Hα-helixtrans-64.2-43.8176.2-75.8-33.3000112.2N133 R134 A139 G140 K211N133-D137 PolarHBondContact O-N 2.94Å; R134-D137 PolarHBondContact O-N 3.34Å; D137-A139 PolarHBondContact O-N 3.14Å; D137-G140 PolarHBondContact O-N 3.48Å; D137-K211 VanDerWaalsContact CG-NZ 3.33Å; D137-K211 IonicContact OD1-NZ 2.95Å; D137-K211 PolarHBondContact OD1-NZ 3.41Å
138E89.1Confident89.6Confident82 Ų8265.9 Ų65.938%0.38333%0.33SS..Hα-helixtrans-61.2-35.3174.9-74.1169.9-17400111.2R124 R134 Q135 G140 E141R124-E138 VanDerWaalsContact NH1-C 3.31Å; R124-E138 PolarHBondContact NH1-O 2.79Å; R134-E138 WeakPolarHBondContact CG-OE1 3.46Å; R134-E138 IonicContact CZ-OE1 3.58Å; R134-E138 IonicContact NE-OE1 2.73Å; R134-E138 PolarHBondContact NE-OE1 3.48Å; R134-E138 IonicContact NH2-OE1 3.35Å; R134-E138 WeakPolarHBondContact O-CB 3.3Å; R134-E138 VanDerWaalsContact O-CG 3.29Å; R134-E138 WeakPolarHBondContact O-CG 3.28Å; R134-E138 PolarHBondContact O-N 2.93Å; Q135-E138 PolarHBondContact O-N 3.37Å; E138-G140 VanDerWaalsContact C-N 3.34Å; E138-G140 PolarHBondContact O-N 3.28Å; E138-E141 WeakPolarHBondContact O-CA 3.35Å; E138-E141 PolarHBondContact O-N 2.85Å
139A89.1Confident89.7Confident16 Ų1668.5 Ų68.513%0.13234%0.341CS..Hα-helixtrans-66.6-30.3-17800000114.2R124 F125 Q135 L136 D137 E141R124-A139 HydrophobicContact CB-CB 4.38Å; F125-A139 HydrophobicContact CE2-CB 3.77Å; F125-A139 HydrophobicContact CZ-CB 4.23Å; Q135-A139 WeakPolarHBondContact O-CB 3.33Å; Q135-A139 PolarHBondContact O-N 3.42Å; L136-A139 WeakPolarHBondContact O-CB 3.48Å; L136-A139 PolarHBondContact O-N 2.9Å; D137-A139 PolarHBondContact O-N 3.14Å; A139-E141 VanDerWaalsContact C-N 3.27Å
140G85Confident89.8Confident1 Ų168.8 Ų68.81%0.0134%0.342CS..THydrogen-bonded Turntrans-86.15.6170.300000114.1L136 D137 E138 N142 D143 N146L136-G140 PolarHBondContact O-N 3.35Å; D137-G140 PolarHBondContact O-N 3.48Å; E138-G140 VanDerWaalsContact C-N 3.34Å; E138-G140 PolarHBondContact O-N 3.28Å; G140-N142 PolarHBondContact O-N 2.94Å; G140-D143 PolarHBondContact O-N 3.44Å; G140-N146 VanDerWaalsContact O-CB 3.3Å; G140-N146 WeakPolarHBondContact O-CB 3.48Å
141E87.3Confident90Very high115 Ų11563.3 Ų63.354%0.53732%0.317SS..THydrogen-bonded Turntrans55.124.6172.5-55.1-172.116800114.7R124 E138 A139 D143R124-E141 IonicContact CZ-OE1 2.77Å; R124-E141 IonicContact NH2-OE1 2.58Å; R124-E141 PolarHBondContact NH2-OE1 3.4Å; E138-E141 WeakPolarHBondContact O-CA 3.35Å; E138-E141 PolarHBondContact O-N 2.85Å; A139-E141 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 2.89Å; E141-D143 VanDerWaalsContact O-N 3.13Å
142N82Confident90.4Very high133 Ų13363.7 Ų63.771%0.71132%0.321SS*.THydrogen-bonded Turntrans55.418.9-171.8-61.6-46.2000114.7G140G140-N142 PolarHBondContact O-N 2.94Å
143D89.6Confident90.8Very high66 Ų6662 Ų6235%0.35331%0.306SS..  trans-101.5125.7175.8-171-30.7000110G140 E141 N145 N146 F147G140-D143 PolarHBondContact O-N 3.44Å; E141-D143 PolarHBondContact O-N 2.89Å; E141-D143 VanDerWaalsContact O-N 3.13Å; D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.3Å; D143-N145 WeakPolarHBondContact OD1-CB 3.36Å; D143-N145 PolarHBondContact OD1-N 2.94Å; D143-N145 PolarHBondContact OD1-ND2 3.48Å; D143-N146 HydrophobicContact CB-CB 4.07Å; D143-N146 WeakPolarHBondContact O-CB 3.41Å; D143-N146 PolarHBondContact O-N 2.97Å; D143-N146 VanDerWaalsContact O-N 3.13Å; D143-F147 WeakPolarHBondContact O-CD2 3.37Å; D143-F147 PolarHBondContact O-N 3.24Å
144V91.8Very high91.3Very high43 Ų4357.6 Ų57.626%0.26128%0.283SS..Hα-helixtrans-59.4-36.7179.5-179.10000111.7N146 F147 F148 L212 C215 L216V144-N146 VanDerWaalsContact C-N 3.34Å; V144-F147 PolarHBondContact O-N 2.73Å; V144-F148 VanDerWaalsContact O-CB 3.3Å; V144-F148 WeakPolarHBondContact O-CB 3.38Å; V144-F148 PolarHBondContact O-N 3.26Å; V144-L212 HydrophobicContact CG1-CD2 4.31Å; V144-C215 HydrophobicContact CG1-CB 4.22Å; V144-C215 HydrophobicContact CG2-CB 3.65Å; V144-L216 HydrophobicContact CG1-CD1 3.7Å; V144-L216 HydrophobicContact CG1-CD2 3.81Å; V144-L216 HydrophobicContact CG1-CG 3.65Å
145N92.3Very high91.8Very high116 Ų11649 Ų4962%0.6225%0.25SS*.Hα-helixtrans-67-38.6177.9-60.1-58.1000111.3D143 F148 Q149D143-N145 VanDerWaalsContact C-N 3.25Å; D143-N145 PolarHBondContact O-N 3.3Å; D143-N145 WeakPolarHBondContact OD1-CB 3.36Å; D143-N145 PolarHBondContact OD1-N 2.94Å; D143-N145 PolarHBondContact OD1-ND2 3.48Å; N145-F148 PolarHBondContact O-N 3.33Å; N145-Q149 WeakPolarHBondContact O-CB 3.41Å; N145-Q149 PolarHBondContact O-N 3.1Å
146N93.4Very high92.1Very high60 Ų6047.3 Ų47.332%0.32125%0.245SC..Hα-helixtrans-67.6-43.3176.4-70.8-14.4000110.9G140 D143 V144 F148 Q149 L150G140-N146 VanDerWaalsContact O-CB 3.3Å; G140-N146 WeakPolarHBondContact O-CB 3.48Å; D143-N146 HydrophobicContact CB-CB 4.07Å; D143-N146 WeakPolarHBondContact O-CB 3.41Å; D143-N146 PolarHBondContact O-N 2.97Å; D143-N146 VanDerWaalsContact O-N 3.13Å; V144-N146 VanDerWaalsContact C-N 3.34Å; N146-F148 VanDerWaalsContact C-N 3.3Å; N146-F148 PolarHBondContact O-N 3.15Å; N146-Q149 PolarHBondContact O-N 3.46Å; N146-L150 WeakPolarHBondContact O-CB 3.39Å; N146-L150 PolarHBondContact O-N 3.23Å
147F93.5Very high92.4Very high6 Ų647.2 Ų47.23%0.02624%0.244CC..Hα-helixtrans-61.9-39173.1-66.9-58.8000112.2D143 V144 T151 L208 K211 L212D143-F147 WeakPolarHBondContact O-CD2 3.37Å; D143-F147 PolarHBondContact O-N 3.24Å; V144-F147 PolarHBondContact O-N 2.73Å; F147-T151 WeakPolarHBondContact O-CB 3.46Å; F147-T151 PolarHBondContact O-N 2.93Å; F147-T151 PolarHBondContact O-OG1 3.48Å; F147-L208 HydrophobicContact CD1-CD2 3.62Å; F147-L208 HydrophobicContact CE1-CD2 4.31Å; F147-K211 HydrophobicContact CD1-CD 4.06Å; F147-K211 HydrophobicContact CD2-CD 4.18Å; F147-K211 HydrophobicContact CE1-CD 3.78Å; F147-K211 HydrophobicContact CE2-CD 3.94Å; F147-K211 HydrophobicContact CG-CD 4.28Å; F147-K211 HydrophobicContact CZ-CD 3.79Å; F147-L212 HydrophobicContact CB-CD2 3.8Å; F147-L212 HydrophobicContact CB-CG 4.38Å
148F94.8Very high92.9Very high68 Ų6844.1 Ų44.130%0.29823%0.228SC..Hα-helixtrans-63.9-52.5178.7-172.6-80.2000110.4V144 N145 N146 L150 T151 V152 L212 L216 L221 H224V144-F148 VanDerWaalsContact O-CB 3.3Å; V144-F148 WeakPolarHBondContact O-CB 3.38Å; V144-F148 PolarHBondContact O-N 3.26Å; N145-F148 PolarHBondContact O-N 3.33Å; N146-F148 VanDerWaalsContact C-N 3.3Å; N146-F148 PolarHBondContact O-N 3.15Å; F148-L150 PolarHBondContact O-N 2.87Å; F148-T151 PolarHBondContact O-N 2.93Å; F148-V152 HydrophobicContact CD1-CG2 4.33Å; F148-V152 HydrophobicContact CE1-CG2 4.22Å; F148-V152 WeakPolarHBondContact O-CG2 3.45Å; F148-V152 PolarHBondContact O-N 2.7Å; F148-V152 VanDerWaalsContact O-N 3.09Å; F148-L212 HydrophobicContact CB-CD2 4.07Å; F148-L216 HydrophobicContact CD2-CD1 4.1Å; F148-L221 HydrophobicContact CD2-CD2 4.33Å; F148-L221 HydrophobicContact CE2-CD2 4.25Å; F148-H224 AromaticContact CD2-CE1 3.94Å; F148-H224 AromaticContact CE1-CE1 3.84Å; F148-H224 AromaticContact CE2-CE1 3.3Å; F148-H224 WeakPolarHBondContact CE2-CE1 3.5Å; F148-H224 AromaticContact CE2-NE2 3.84Å; F148-H224 AromaticContact CZ-CE1 3.26Å; F148-H224 WeakPolarHBondContact CZ-CE1 3.29Å; F148-H224 AromaticContact CZ-NE2 3.93Å
149Q94.4Very high93.3Very high91 Ų9143.5 Ų43.543%0.42523%0.225SC..Hα-helixtrans-60.9-45.5178.2-176.759.431.300111.7N145 N146 T151 V152 E153N145-Q149 WeakPolarHBondContact O-CB 3.41Å; N145-Q149 PolarHBondContact O-N 3.1Å; N146-Q149 PolarHBondContact O-N 3.46Å; Q149-T151 VanDerWaalsContact C-N 3.28Å; Q149-T151 PolarHBondContact O-N 2.95Å; Q149-V152 PolarHBondContact O-N 3.4Å; Q149-E153 PolarHBondContact NE2-OE1 2.73Å; Q149-E153 WeakPolarHBondContact O-CG 3.4Å; Q149-E153 PolarHBondContact O-N 3.49Å
150L95.4Very high93.7Very high5 Ų544 Ų443%0.02623%0.227CC..Hα-helixtrans-59.7-39.3177.6-178.963.1000111.9F118 F125 N146 F148 E153 M154 L208F118-L150 HydrophobicContact CE2-CD1 4.04Å; F118-L150 HydrophobicContact CZ-CD1 4.2Å; F125-L150 HydrophobicContact CE2-CD1 3.76Å; F125-L150 HydrophobicContact CE2-CD2 4.15Å; F125-L150 HydrophobicContact CZ-CD1 3.9Å; F125-L150 HydrophobicContact CZ-CD2 3.94Å; F125-L150 HydrophobicContact CZ-CG 4.44Å; N146-L150 WeakPolarHBondContact O-CB 3.39Å; N146-L150 PolarHBondContact O-N 3.23Å; F148-L150 PolarHBondContact O-N 2.87Å; L150-E153 PolarHBondContact O-N 3Å; L150-M154 HydrophobicContact CD1-CE 4.21Å; L150-M154 HydrophobicContact CG-CE 4.33Å; L150-M154 WeakPolarHBondContact O-CB 3.35Å; L150-M154 WeakPolarHBondContact O-CG 3.43Å; L150-M154 PolarHBondContact O-N 2.7Å; L150-L208 HydrophobicContact CD2-CD1 4.01Å; L150-L208 HydrophobicContact CD2-CD2 4.19Å; L150-L208 HydrophobicContact CG-CD1 3.99Å
151T95.8Very high94.3Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-65.5-42.6177.1-54.70000111.5F147 F148 Q149 M154 F155 L208 L209 L212F147-T151 WeakPolarHBondContact O-CB 3.46Å; F147-T151 PolarHBondContact O-N 2.93Å; F147-T151 PolarHBondContact O-OG1 3.48Å; F148-T151 PolarHBondContact O-N 2.93Å; Q149-T151 VanDerWaalsContact C-N 3.28Å; Q149-T151 PolarHBondContact O-N 2.95Å; T151-M154 PolarHBondContact O-N 2.94Å; T151-F155 HydrophobicContact CG2-CD2 4.15Å; T151-F155 HydrophobicContact CG2-CE2 3.68Å; T151-F155 HydrophobicContact CG2-CZ 4.1Å; T151-F155 WeakPolarHBondContact O-CD2 3.4Å; T151-F155 WeakPolarHBondContact O-CG 3.33Å; T151-F155 PolarHBondContact O-N 2.93Å; T151-L208 WeakPolarHBondContact OG1-CB 3.4Å; T151-L209 HydrophobicContact CG2-CD2 4.3Å; T151-L209 HydrophobicContact CG2-CG 4.4Å; T151-L212 HydrophobicContact CG2-CD1 4.22Å; T151-L212 WeakPolarHBondContact OG1-CD1 3.17Å
152V95.9Very high94.7Very high33 Ų3338.6 Ų38.620%0.220%0.202CC..Hα-helixtrans-61.8-46.2175.3174.50000110.8F148 Q149 M154 F155 D156F148-V152 HydrophobicContact CD1-CG2 4.33Å; F148-V152 HydrophobicContact CE1-CG2 4.22Å; F148-V152 WeakPolarHBondContact O-CG2 3.45Å; F148-V152 PolarHBondContact O-N 2.7Å; F148-V152 VanDerWaalsContact O-N 3.09Å; Q149-V152 PolarHBondContact O-N 3.4Å; V152-M154 VanDerWaalsContact C-N 3.33Å; V152-M154 PolarHBondContact O-N 2.85Å; V152-F155 WeakPolarHBondContact O-CB 3.42Å; V152-F155 PolarHBondContact O-N 3.5Å; V152-F155 VanDerWaalsContact O-N 3.14Å; V152-D156 VanDerWaalsContact O-CG 3.31Å; V152-D156 PolarHBondContact O-N 3.36Å
153E95.9Very high95.3Very high21 Ų2135.5 Ų35.510%0.09819%0.185CC..Hα-helixtrans-64.5-36.6179-69.3-178.9171.500112.3F118 K121 N122 Q149 L150 D156 Y157F118-E153 HydrophobicContact CD2-CB 4.06Å; F118-E153 HydrophobicContact CE2-CB 4.22Å; K121-E153 WeakPolarHBondContact CD-OE1 3.47Å; K121-E153 IonicContact NZ-OE1 3.62Å; K121-E153 PolarHBondContact NZ-OE1 3.03Å; N122-E153 PolarHBondContact ND2-OE2 3.34Å; Q149-E153 PolarHBondContact NE2-OE1 2.73Å; Q149-E153 WeakPolarHBondContact O-CG 3.4Å; Q149-E153 PolarHBondContact O-N 3.49Å; L150-E153 PolarHBondContact O-N 3Å; E153-D156 PolarHBondContact O-N 3.42Å; E153-Y157 WeakPolarHBondContact O-CB 3.46Å; E153-Y157 PolarHBondContact O-N 3.36Å
154M96.6Very high95.6Very high0 Ų032.4 Ų32.40%017%0.168CC..Hα-helixtrans-66.6-36.8172.4-76.1-163.7177.600112.7F118 F125 L136 L150 T151 V152 Y157 L158 L201 Y204 T205 L208F118-M154 HydrophobicContact CE2-CG 4.1Å; F118-M154 HydrophobicContact CZ-CE 4.21Å; F118-M154 HydrophobicContact CZ-CG 4.29Å; F125-M154 HydrophobicContact CD1-CE 4.17Å; F125-M154 HydrophobicContact CE1-CE 3.21Å; F125-M154 HydrophobicContact CZ-CE 3.47Å; F125-M154 VanDerWaalsContact CZ-CE 3.47Å; L136-M154 HydrophobicContact CD1-CE 4.27Å; L150-M154 HydrophobicContact CD1-CE 4.21Å; L150-M154 HydrophobicContact CG-CE 4.33Å; L150-M154 WeakPolarHBondContact O-CB 3.35Å; L150-M154 WeakPolarHBondContact O-CG 3.43Å; L150-M154 PolarHBondContact O-N 2.7Å; T151-M154 PolarHBondContact O-N 2.94Å; V152-M154 VanDerWaalsContact C-N 3.33Å; V152-M154 PolarHBondContact O-N 2.85Å; M154-Y157 PolarHBondContact O-N 2.95Å; M154-L158 VanDerWaalsContact O-CB 3.28Å; M154-L158 WeakPolarHBondContact O-CB 3.47Å; M154-L158 PolarHBondContact O-N 3.35Å; M154-L201 HydrophobicContact CB-CD2 4.4Å; M154-L201 HydrophobicContact CG-CD2 4.18Å; M154-L201 HydrophobicContact SD-CD2 4.49Å; M154-Y204 HydrophobicContact CE-CD2 3.79Å; M154-Y204 HydrophobicContact CE-CG 4.14Å; M154-Y204 WeakPolarHBondContact SD-CB 3.22Å; M154-Y204 HydrophobicContact SD-CD2 4.39Å; M154-Y204 HydrophobicContact SD-CG 4.41Å; M154-T205 HydrophobicContact CB-CG2 3.75Å; M154-T205 HydrophobicContact SD-CG2 4.44Å; M154-L208 HydrophobicContact CE-CD1 4.17Å; M154-L208 HydrophobicContact SD-CD1 3.67Å
155F97.5Very high95.7Very high1 Ų130.5 Ų30.50%0.00416%0.157CC..Hα-helixtrans-65.3-41.7173.5-74.4-41.2000112.4T151 V152 Y157 L158 E159 T205 L209 H224 R227 F228 Q231T151-F155 HydrophobicContact CG2-CD2 4.15Å; T151-F155 HydrophobicContact CG2-CE2 3.68Å; T151-F155 HydrophobicContact CG2-CZ 4.1Å; T151-F155 WeakPolarHBondContact O-CD2 3.4Å; T151-F155 WeakPolarHBondContact O-CG 3.33Å; T151-F155 PolarHBondContact O-N 2.93Å; V152-F155 WeakPolarHBondContact O-CB 3.42Å; V152-F155 PolarHBondContact O-N 3.5Å; V152-F155 VanDerWaalsContact O-N 3.14Å; F155-Y157 VanDerWaalsContact C-N 3.3Å; F155-Y157 PolarHBondContact O-N 3.36Å; F155-L158 PolarHBondContact O-N 3.35Å; F155-E159 WeakPolarHBondContact O-CB 3.49Å; F155-E159 PolarHBondContact O-N 3.36Å; F155-T205 HydrophobicContact CD1-CG2 3.91Å; F155-T205 HydrophobicContact CE1-CG2 3.86Å; F155-L209 HydrophobicContact CZ-CD1 4.08Å; F155-L209 HydrophobicContact CZ-CD2 4.44Å; F155-L209 HydrophobicContact CZ-CG 4.48Å; F155-H224 HydrophobicContact CE2-CB 4.24Å; F155-H224 AromaticContact CE2-CD2 3.91Å; F155-R227 HydrophobicContact CD2-CB 4.42Å; F155-R227 HydrophobicContact CE2-CB 4.43Å; F155-F228 HydrophobicContact CE1-CB 3.98Å; F155-F228 HydrophobicContact CE1-CD2 4.14Å; F155-F228 HydrophobicContact CZ-CB 3.87Å; F155-F228 HydrophobicContact CZ-CD2 4.5Å; F155-Q231 VanDerWaalsContact CD1-OE1 3.26Å; F155-Q231 PolarHBondContact O-NE2 2.98Å
156D96.9Very high95.7Very high67 Ų6727.2 Ų27.236%0.35814%0.139SC..Hα-helixtrans-65.7-38178.7-63.9-11.7000111.1V152 E153 C160 R227V152-D156 VanDerWaalsContact O-CG 3.31Å; V152-D156 PolarHBondContact O-N 3.36Å; E153-D156 PolarHBondContact O-N 3.42Å; D156-C160 PolarHBondContact O-N 3.08Å; D156-C160 PolarHBondContact O-SG 3.24Å; D156-C160 VanDerWaalsContact O-SG 3.35Å; D156-R227 IonicContact OD1-CZ 3.39Å; D156-R227 IonicContact OD1-NH1 2.78Å; D156-R227 PolarHBondContact OD1-NH1 3.16Å; D156-R227 IonicContact OD1-NH2 3.3Å; D156-R227 PolarHBondContact OD1-NH2 3.37Å
157Y97.6Very high95.7Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-66.8-51.4174.6-168.2179.7000111.2L111 K115 F118 L129 E153 M154 F155 E159 C160 E161 D197 L201L111-Y157 HydrophobicContact CD1-CD2 4.01Å; L111-Y157 HydrophobicContact CD1-CE2 3.81Å; K115-Y157 HydrophobicContact CB-CE1 4.49Å; K115-Y157 HydrophobicContact CB-CE2 3.94Å; K115-Y157 WeakPolarHBondContact CD-OH 3.27Å; K115-Y157 WeakPolarHBondContact CE-OH 3.42Å; K115-Y157 HydrophobicContact CG-CE1 4.31Å; K115-Y157 HydrophobicContact CG-CE2 4.32Å; K115-Y157 WeakPolarHBondContact CG-OH 3.42Å; K115-Y157 PolarHBondContact NZ-OH 3.42Å; F118-Y157 HydrophobicContact CB-CD1 4.17Å; F118-Y157 AromaticContact CD1-CD1 3.89Å; F118-Y157 HydrophobicContact CD1-CD1 3.89Å; F118-Y157 AromaticContact CD1-CE1 3.98Å; F118-Y157 HydrophobicContact CD1-CE1 3.98Å; F118-Y157 HydrophobicContact CD2-CD1 4.32Å; F118-Y157 HydrophobicContact CE1-CD1 4.4Å; F118-Y157 AromaticContact CG-CD1 3.85Å; F118-Y157 HydrophobicContact CG-CD1 3.85Å; F118-Y157 HydrophobicContact CG-CE1 4.34Å; L129-Y157 HydrophobicContact CD1-CE1 4.21Å; L129-Y157 HydrophobicContact CD2-CE1 4.5Å; E153-Y157 WeakPolarHBondContact O-CB 3.46Å; E153-Y157 PolarHBondContact O-N 3.36Å; M154-Y157 PolarHBondContact O-N 2.95Å; F155-Y157 VanDerWaalsContact C-N 3.3Å; F155-Y157 PolarHBondContact O-N 3.36Å; Y157-E159 VanDerWaalsContact C-N 3.25Å; Y157-E159 PolarHBondContact O-N 3.44Å; Y157-C160 WeakPolarHBondContact O-CB 3.36Å; Y157-C160 PolarHBondContact O-N 3.1Å; Y157-C160 VanDerWaalsContact O-N 3.09Å; Y157-E161 HydrophobicContact CD2-CG 4.11Å; Y157-E161 HydrophobicContact CE2-CG 3.96Å; Y157-E161 VanDerWaalsContact CE2-OE1 3.31Å; Y157-E161 WeakPolarHBondContact CE2-OE1 3.47Å; Y157-E161 PolarHBondContact O-N 3.4Å; Y157-E161 VanDerWaalsContact O-N 3.08Å; Y157-D197 PolarHBondContact OH-OD2 2.81Å; Y157-L201 HydrophobicContact CD1-CD1 4.14Å; Y157-L201 HydrophobicContact CD1-CD2 3.95Å; Y157-L201 HydrophobicContact CD2-CD1 4.2Å; Y157-L201 HydrophobicContact CE1-CD1 4.43Å; Y157-L201 HydrophobicContact CE1-CD2 4.43Å; Y157-L201 HydrophobicContact CE2-CD1 4.43Å; Y157-L201 HydrophobicContact CG-CD1 3.99Å; Y157-L201 HydrophobicContact CG-CD2 4.41Å
158L97.3Very high95.6Very high3 Ų324.7 Ų24.72%0.01613%0.129CC..Hα-helixtrans-59.4-37177.7-178.254000111.7M154 F155 C160 E161 L162 C198 L201 Q231M154-L158 VanDerWaalsContact O-CB 3.28Å; M154-L158 WeakPolarHBondContact O-CB 3.47Å; M154-L158 PolarHBondContact O-N 3.35Å; F155-L158 PolarHBondContact O-N 3.35Å; L158-C160 PolarHBondContact O-N 2.95Å; L158-E161 WeakPolarHBondContact O-CB 3.36Å; L158-E161 PolarHBondContact O-N 2.79Å; L158-L162 HydrophobicContact CD1-CD1 4.38Å; L158-L162 HydrophobicContact CD1-CG 4.15Å; L158-L162 HydrophobicContact CG-CD1 4.09Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 WeakPolarHBondContact O-CB 3.5Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.11Å; L158-C198 HydrophobicContact CD1-CB 4.14Å; L158-L201 HydrophobicContact CB-CB 4.28Å; L158-L201 HydrophobicContact CB-CD1 4.15Å; L158-L201 HydrophobicContact CD1-CB 4.24Å; L158-L201 HydrophobicContact CD1-CD1 4.4Å; L158-L201 HydrophobicContact CD2-CB 4.48Å; L158-Q231 HydrophobicContact CD2-CB 4.46Å; L158-Q231 VanDerWaalsContact CD2-OE1 3.29Å
159E96.9Very high95.4Very high68 Ų6821.8 Ų21.832%0.31812%0.116SC..Hα-helixtrans-62.8-42175.5-176.4162.5-166.800112.6F155 Y157 E161 L162 N163 R227F155-E159 WeakPolarHBondContact O-CB 3.49Å; F155-E159 PolarHBondContact O-N 3.36Å; Y157-E159 VanDerWaalsContact C-N 3.25Å; Y157-E159 PolarHBondContact O-N 3.44Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-L162 PolarHBondContact O-N 2.86Å; E159-N163 WeakPolarHBondContact O-CB 3.4Å; E159-N163 PolarHBondContact O-N 3.08Å; E159-N163 PolarHBondContact O-ND2 3.33Å; E159-N163 VanDerWaalsContact O-ND2 3.1Å; E159-R227 IonicContact OE2-NH2 3.05Å; E159-R227 PolarHBondContact OE2-NH2 3.43Å
160C97.6Very high95Very high28 Ų2823.8 Ų23.819%0.18913%0.13CC..Hα-helixtrans-63.5-40.3175-71.10000112.1L111 D156 Y157 L158 N163 L164L111-C160 HydrophobicContact CB-CB 4.3Å; L111-C160 HydrophobicContact CD1-CB 3.63Å; D156-C160 PolarHBondContact O-N 3.08Å; D156-C160 PolarHBondContact O-SG 3.24Å; D156-C160 VanDerWaalsContact O-SG 3.35Å; Y157-C160 WeakPolarHBondContact O-CB 3.36Å; Y157-C160 PolarHBondContact O-N 3.1Å; Y157-C160 VanDerWaalsContact O-N 3.09Å; L158-C160 PolarHBondContact O-N 2.95Å; C160-N163 PolarHBondContact O-N 2.86Å; C160-L164 PolarHBondContact O-N 2.86Å
161E97.1Very high94.6Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-61.7-49.5175.6-70.7-68.1176.300111.1H66 L111 Y157 L158 E159 N163 L164 F165 V194 D197 L201H66-E161 IonicContact CE1-OE1 2.79Å; H66-E161 IonicContact NE2-OE1 2.78Å; L111-E161 VanDerWaalsContact CD1-CD 3.5Å; L111-E161 HydrophobicContact CD1-CG 3.77Å; L111-E161 WeakPolarHBondContact CD1-OE1 3.42Å; L111-E161 VanDerWaalsContact CD2-OE2 3.29Å; L111-E161 WeakPolarHBondContact CD2-OE2 3.32Å; Y157-E161 HydrophobicContact CD2-CG 4.11Å; Y157-E161 HydrophobicContact CE2-CG 3.96Å; Y157-E161 VanDerWaalsContact CE2-OE1 3.31Å; Y157-E161 WeakPolarHBondContact CE2-OE1 3.47Å; Y157-E161 PolarHBondContact O-N 3.4Å; Y157-E161 VanDerWaalsContact O-N 3.08Å; L158-E161 WeakPolarHBondContact O-CB 3.36Å; L158-E161 PolarHBondContact O-N 2.79Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.03Å; E161-L164 PolarHBondContact O-N 2.95Å; E161-F165 WeakPolarHBondContact O-CB 3.48Å; E161-F165 PolarHBondContact O-N 2.95Å; E161-V194 HydrophobicContact CB-CG1 4.08Å; E161-V194 WeakPolarHBondContact OE2-CA 3.5Å; E161-V194 WeakPolarHBondContact OE2-CB 3.49Å; E161-V194 VanDerWaalsContact OE2-CG1 3.29Å; E161-V194 WeakPolarHBondContact OE2-CG1 3.34Å; E161-V194 VanDerWaalsContact OE2-CG2 3.28Å; E161-V194 WeakPolarHBondContact OE2-CG2 3.46Å; E161-D197 HydrophobicContact CG-CB 4.45Å; E161-L201 HydrophobicContact CG-CD1 4.26Å
162L96.2Very high94Very high2 Ų226.2 Ų26.21%0.0115%0.146CC..Hα-helixtrans-61.7-38.7177.7-67.5174000112L158 E159 F165 L166 Q231 K234 L235 L238L158-L162 HydrophobicContact CD1-CD1 4.38Å; L158-L162 HydrophobicContact CD1-CG 4.15Å; L158-L162 HydrophobicContact CG-CD1 4.09Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 WeakPolarHBondContact O-CB 3.5Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.11Å; E159-L162 PolarHBondContact O-N 2.86Å; L162-F165 PolarHBondContact O-N 3.14Å; L162-L166 WeakPolarHBondContact O-CB 3.27Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.09Å; L162-Q231 HydrophobicContact CD1-CB 3.93Å; L162-Q231 HydrophobicContact CD1-CG 4.02Å; L162-K234 HydrophobicContact CD1-CB 4.13Å; L162-K234 HydrophobicContact CD1-CD 4.45Å; L162-K234 HydrophobicContact CD2-CB 4.35Å; L162-L235 HydrophobicContact CD2-CB 4.08Å; L162-L235 HydrophobicContact CD2-CD1 4.02Å; L162-L238 HydrophobicContact CD2-CD1 3.35Å
163N95.8Very high92.5Very high68 Ų6830.5 Ų30.536%0.36417%0.167SC..Hα-helixtrans-67.1-40.9177.8-77.2-31.7000112.4I107 E159 C160 E161 F165 G167I107-N163 HydrophobicContact CG2-CB 4.34Å; E159-N163 WeakPolarHBondContact O-CB 3.4Å; E159-N163 PolarHBondContact O-N 3.08Å; E159-N163 PolarHBondContact O-ND2 3.33Å; E159-N163 VanDerWaalsContact O-ND2 3.1Å; C160-N163 PolarHBondContact O-N 2.86Å; E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.03Å; N163-F165 VanDerWaalsContact C-N 3.34Å; N163-G167 PolarHBondContact O-N 3.49Å
164L95.8Very high90.9Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-62.3-46.6173.3178.661000110.5W59 I107 Y108 L111 C160 E161 L166 G167 V168 V194W59-L164 HydrophobicContact CH2-CD1 3.93Å; W59-L164 HydrophobicContact CZ3-CD1 3.98Å; I107-L164 HydrophobicContact CB-CD1 4.48Å; I107-L164 HydrophobicContact CG2-CB 4.02Å; I107-L164 HydrophobicContact CG2-CD1 4.23Å; Y108-L164 HydrophobicContact CD1-CD1 4.35Å; Y108-L164 HydrophobicContact CD1-CD2 4.05Å; Y108-L164 HydrophobicContact CD2-CD2 3.42Å; Y108-L164 VanDerWaalsContact CD2-CD2 3.42Å; Y108-L164 HydrophobicContact CE1-CD2 4.25Å; Y108-L164 HydrophobicContact CE2-CD2 3.64Å; Y108-L164 HydrophobicContact CG-CD1 4Å; Y108-L164 HydrophobicContact CG-CD2 3.62Å; Y108-L164 HydrophobicContact CG-CG 4.5Å; L111-L164 HydrophobicContact CD2-CB 4.34Å; L111-L164 HydrophobicContact CD2-CD2 3.48Å; L111-L164 VanDerWaalsContact CD2-CD2 3.48Å; C160-L164 PolarHBondContact O-N 2.86Å; E161-L164 PolarHBondContact O-N 2.95Å; L164-L166 PolarHBondContact O-N 3.36Å; L164-G167 PolarHBondContact O-N 3.31Å; L164-V168 HydrophobicContact CD1-CG2 4.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.29Å; L164-V168 PolarHBondContact O-N 3Å; L164-V194 HydrophobicContact CD2-CG2 3.86Å
165F93.9Very high89.1Confident3 Ų336.4 Ų36.41%0.01320%0.201CC..Hα-helixtrans-56.6-53.5178.9-164.8-69.4000111.8E161 L162 N163 G167 V168 F169 L191 V194 I195 L238 S242E161-F165 WeakPolarHBondContact O-CB 3.48Å; E161-F165 PolarHBondContact O-N 2.95Å; L162-F165 PolarHBondContact O-N 3.14Å; N163-F165 VanDerWaalsContact C-N 3.34Å; F165-G167 VanDerWaalsContact C-N 3.29Å; F165-G167 PolarHBondContact O-N 2.93Å; F165-V168 PolarHBondContact O-N 3.03Å; F165-F169 AromaticContact CD1-CD2 3.73Å; F165-F169 HydrophobicContact CD1-CD2 3.73Å; F165-F169 HydrophobicContact CD1-CE2 4.01Å; F165-F169 HydrophobicContact CD1-CG 4.31Å; F165-F169 HydrophobicContact CE1-CD1 4.21Å; F165-F169 AromaticContact CE1-CD2 3.18Å; F165-F169 HydrophobicContact CE1-CD2 3.18Å; F165-F169 HydrophobicContact CE1-CE1 4.11Å; F165-F169 AromaticContact CE1-CE2 3.06Å; F165-F169 HydrophobicContact CE1-CE2 3.06Å; F165-F169 AromaticContact CE1-CG 3.78Å; F165-F169 HydrophobicContact CE1-CG 3.78Å; F165-F169 AromaticContact CE1-CZ 3.54Å; F165-F169 HydrophobicContact CE1-CZ 3.54Å; F165-F169 HydrophobicContact CE2-CE2 4.15Å; F165-F169 AromaticContact CZ-CD2 3.75Å; F165-F169 HydrophobicContact CZ-CD2 3.75Å; F165-F169 HydrophobicContact CZ-CE1 4.46Å; F165-F169 AromaticContact CZ-CE2 3.12Å; F165-F169 HydrophobicContact CZ-CE2 3.12Å; F165-F169 AromaticContact CZ-CZ 3.53Å; F165-F169 HydrophobicContact CZ-CZ 3.53Å; F165-F169 PolarHBondContact O-N 3.46Å; F165-L191 HydrophobicContact CB-CD2 4.3Å; F165-L191 HydrophobicContact CD2-CB 4.31Å; F165-L191 HydrophobicContact CD2-CD1 4.06Å; F165-L191 HydrophobicContact CD2-CD2 3.94Å; F165-L191 HydrophobicContact CD2-CG 4.34Å; F165-L191 HydrophobicContact CE1-CD1 4.46Å; F165-L191 HydrophobicContact CE2-CB 4.16Å; F165-L191 HydrophobicContact CE2-CD1 3.87Å; F165-L191 HydrophobicContact CE2-CG 4.42Å; F165-L191 HydrophobicContact CG-CD1 4.41Å; F165-L191 HydrophobicContact CG-CD2 4.25Å; F165-L191 HydrophobicContact CZ-CD1 4.04Å; F165-V194 HydrophobicContact CB-CG1 4.12Å; F165-V194 HydrophobicContact CD2-CG1 3.92Å; F165-I195 HydrophobicContact CE2-CD1 4.18Å; F165-I195 HydrophobicContact CE2-CG1 4Å; F165-L238 HydrophobicContact CB-CD1 3.86Å; F165-L238 HydrophobicContact CD1-CB 4.01Å; F165-L238 HydrophobicContact CD1-CD1 3.55Å; F165-L238 HydrophobicContact CD1-CD2 3.23Å; F165-L238 HydrophobicContact CD1-CG 3.71Å; F165-L238 HydrophobicContact CD2-CD1 4.35Å; F165-L238 HydrophobicContact CE1-CB 3.83Å; F165-L238 HydrophobicContact CE1-CD1 4.23Å; F165-L238 HydrophobicContact CE1-CD2 3.42Å; F165-L238 VanDerWaalsContact CE1-CD2 3.42Å; F165-L238 HydrophobicContact CE1-CG 3.96Å; F165-L238 HydrophobicContact CG-CB 4.46Å; F165-L238 HydrophobicContact CG-CD1 3.64Å; F165-L238 HydrophobicContact CG-CD2 4.21Å; F165-L238 HydrophobicContact CG-CG 4.27Å; F165-L238 HydrophobicContact CZ-CB 4.13Å; F165-L238 HydrophobicContact CZ-CD2 4.5Å; F165-S242 WeakPolarHBondContact CE2-OG 3.32Å; F165-S242 WeakPolarHBondContact CZ-OG 3.49Å
166L92.3Very high87.1Confident48 Ų4840.9 Ų40.925%0.25122%0.218SC..Hα-helixtrans-60.9-39.3177.9-73.5168.8000111.5L162 L164 F169 N170 K234 L238L162-L166 WeakPolarHBondContact O-CB 3.27Å; L162-L166 VanDerWaalsContact O-CG 3.3Å; L162-L166 WeakPolarHBondContact O-CG 3.38Å; L162-L166 PolarHBondContact O-N 3.09Å; L164-L166 PolarHBondContact O-N 3.36Å; L166-F169 PolarHBondContact O-N 3.25Å; L166-N170 VanDerWaalsContact O-CB 3.29Å; L166-N170 WeakPolarHBondContact O-CB 3.49Å; L166-N170 PolarHBondContact O-N 2.92Å; L166-N170 PolarHBondContact O-ND2 3.43Å; L166-K234 HydrophobicContact CD1-CD 4.42Å; L166-L238 HydrophobicContact CD2-CD2 3.78Å; L166-L238 HydrophobicContact CG-CD2 4.29Å
167G92.1Very high85.1Confident13 Ų1341.5 Ų41.513%0.13423%0.227CC..Hα-helixtrans-57.7-48.5175.100000112.3L104 N163 L164 F165 N170 S171L104-G167 VanDerWaalsContact CD2-O 3.31Å; L104-G167 WeakPolarHBondContact CD2-O 3.43Å; N163-G167 PolarHBondContact O-N 3.49Å; L164-G167 PolarHBondContact O-N 3.31Å; F165-G167 VanDerWaalsContact C-N 3.29Å; F165-G167 PolarHBondContact O-N 2.93Å; G167-N170 PolarHBondContact O-N 3.05Å; G167-S171 WeakPolarHBondContact O-CB 3.48Å; G167-S171 PolarHBondContact O-N 3Å; G167-S171 VanDerWaalsContact O-N 3.15Å
168V92.4Very high83.6Confident0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-63.3-46.9178172.40000110.9W59 L104 L164 F165 N170 S171 L172 R187 L188 L191W59-V168 HydrophobicContact CH2-CG2 3.49Å; W59-V168 VanDerWaalsContact CH2-CG2 3.49Å; W59-V168 HydrophobicContact CZ2-CG2 3.9Å; L104-V168 HydrophobicContact CD1-CG2 4.49Å; L104-V168 HydrophobicContact CD2-CG2 4.21Å; L164-V168 HydrophobicContact CD1-CG2 4.36Å; L164-V168 WeakPolarHBondContact O-CG2 3.29Å; L164-V168 PolarHBondContact O-N 3Å; F165-V168 PolarHBondContact O-N 3.03Å; V168-N170 PolarHBondContact O-N 3.14Å; V168-S171 WeakPolarHBondContact O-CB 3.28Å; V168-S171 PolarHBondContact O-N 2.93Å; V168-S171 VanDerWaalsContact O-N 3.09Å; V168-S171 PolarHBondContact O-OG 3.31Å; V168-L172 HydrophobicContact CG1-CD1 4.03Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.45Å; V168-R187 HydrophobicContact CG1-CB 4.21Å; V168-R187 WeakPolarHBondContact CG1-O 3.41Å; V168-L188 HydrophobicContact CG1-CD2 4.46Å; V168-L191 HydrophobicContact CB-CD1 4.03Å; V168-L191 HydrophobicContact CB-CD2 4.13Å; V168-L191 HydrophobicContact CB-CG 4.38Å; V168-L191 HydrophobicContact CG1-CD1 3.71Å; V168-L191 HydrophobicContact CG1-CD2 4.48Å; V168-L191 HydrophobicContact CG1-CG 4.18Å; V168-L191 HydrophobicContact CG2-CD2 3.99Å; V168-L191 HydrophobicContact CG2-CG 4.49Å
169F88.8Confident82.4Confident6 Ų643.1 Ų43.13%0.02624%0.238CC..Hα-helixtrans-63.2-43.1179.2-92.1-116.5000112F165 L166 S171 L172 M174 L188 L191 R241 L245F165-F169 AromaticContact CD1-CD2 3.73Å; F165-F169 HydrophobicContact CD1-CD2 3.73Å; F165-F169 HydrophobicContact CD1-CE2 4.01Å; F165-F169 HydrophobicContact CD1-CG 4.31Å; F165-F169 HydrophobicContact CE1-CD1 4.21Å; F165-F169 AromaticContact CE1-CD2 3.18Å; F165-F169 HydrophobicContact CE1-CD2 3.18Å; F165-F169 HydrophobicContact CE1-CE1 4.11Å; F165-F169 AromaticContact CE1-CE2 3.06Å; F165-F169 HydrophobicContact CE1-CE2 3.06Å; F165-F169 AromaticContact CE1-CG 3.78Å; F165-F169 HydrophobicContact CE1-CG 3.78Å; F165-F169 AromaticContact CE1-CZ 3.54Å; F165-F169 HydrophobicContact CE1-CZ 3.54Å; F165-F169 HydrophobicContact CE2-CE2 4.15Å; F165-F169 AromaticContact CZ-CD2 3.75Å; F165-F169 HydrophobicContact CZ-CD2 3.75Å; F165-F169 HydrophobicContact CZ-CE1 4.46Å; F165-F169 AromaticContact CZ-CE2 3.12Å; F165-F169 HydrophobicContact CZ-CE2 3.12Å; F165-F169 AromaticContact CZ-CZ 3.53Å; F165-F169 HydrophobicContact CZ-CZ 3.53Å; F165-F169 PolarHBondContact O-N 3.46Å; L166-F169 PolarHBondContact O-N 3.25Å; F169-S171 PolarHBondContact O-N 3.48Å; F169-S171 VanDerWaalsContact O-N 3.15Å; F169-L172 PolarHBondContact O-N 2.92Å; F169-L172 VanDerWaalsContact O-N 3.1Å; F169-L172 VanDerWaalsContact O-O 3.12Å; F169-M174 HydrophobicContact CB-CE 4.27Å; F169-M174 HydrophobicContact CD1-CE 3.97Å; F169-M174 HydrophobicContact CD1-SD 3.5Å; F169-M174 WeakPolarHBondContact CD1-SD 3.48Å; F169-M174 HydrophobicContact CE1-SD 4.05Å; F169-M174 HydrophobicContact CG-CE 4.29Å; F169-M174 HydrophobicContact CG-SD 4.35Å; F169-M174 WeakPolarHBondContact O-CE 3.47Å; F169-L188 HydrophobicContact CE2-CD2 4.18Å; F169-L191 HydrophobicContact CD2-CD1 3.77Å; F169-L191 HydrophobicContact CE2-CD1 3.5Å; F169-L191 VanDerWaalsContact CE2-CD1 3.5Å; F169-R241 HydrophobicContact CE1-CB 3.97Å; F169-L245 HydrophobicContact CE1-CD1 3.95Å; F169-L245 HydrophobicContact CE2-CD1 4.3Å; F169-L245 HydrophobicContact CZ-CD1 3.44Å; F169-L245 VanDerWaalsContact CZ-CD1 3.44Å
170N87.8Confident81.4Confident133 Ų13343.8 Ų43.871%0.71125%0.246SC*.Hα-helixtrans-66.3-17176.5-67.7-17.8000113.2L166 G167 V168L166-N170 VanDerWaalsContact O-CB 3.29Å; L166-N170 WeakPolarHBondContact O-CB 3.49Å; L166-N170 PolarHBondContact O-N 2.92Å; L166-N170 PolarHBondContact O-ND2 3.43Å; G167-N170 PolarHBondContact O-N 3.05Å; V168-N170 PolarHBondContact O-N 3.14Å
171S86.9Confident80.9Confident38 Ų3845.5 Ų45.527%0.26626%0.256SS..THydrogen-bonded Turntrans-89.3-6.2176.179.90000114.3G167 V168 F169G167-S171 WeakPolarHBondContact O-CB 3.48Å; G167-S171 PolarHBondContact O-N 3Å; G167-S171 VanDerWaalsContact O-N 3.15Å; V168-S171 WeakPolarHBondContact O-CB 3.28Å; V168-S171 PolarHBondContact O-N 2.93Å; V168-S171 VanDerWaalsContact O-N 3.09Å; V168-S171 PolarHBondContact O-OG 3.31Å; F169-S171 PolarHBondContact O-N 3.48Å; F169-S171 VanDerWaalsContact O-N 3.15Å
172L82.8Confident80.4Confident19 Ų1947.9 Ų47.910%0.09928%0.276CS..SBendtrans-111.3141.5-179.1-67.1171.2000108.9V168 F169 M174 V178 R187 L188V168-L172 HydrophobicContact CG1-CD1 4.03Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 3.45Å; F169-L172 PolarHBondContact O-N 2.92Å; F169-L172 VanDerWaalsContact O-N 3.1Å; F169-L172 VanDerWaalsContact O-O 3.12Å; L172-M174 HydrophobicContact CB-CE 3.49Å; L172-M174 VanDerWaalsContact CB-CE 3.49Å; L172-M174 WeakPolarHBondContact O-CE 3.38Å; L172-V178 HydrophobicContact CB-CG1 4.42Å; L172-V178 HydrophobicContact CD2-CG1 3.74Å; L172-R187 HydrophobicContact CD2-CB 4.24Å; L172-L188 HydrophobicContact CD1-CD1 4.47Å; L172-L188 HydrophobicContact CD1-CD2 3.54Å; L172-L188 HydrophobicContact CD1-CG 3.82Å
173D64.3Low80Confident122 Ų12249.2 Ų49.265%0.65229%0.287SS*.  trans-74.4126.9164.3-170.4-2.8000107.6S175 V178D173-S175 PolarHBondContact O-N 3.05Å; D173-V178 HydrophobicContact CB-CG2 4.3Å
174M61.7Low79.6Confident98 Ų9846 Ų4648%0.48327%0.27SS..  trans-75.620.8-167.2-68.1-68101.200113.8F169 L172F169-M174 HydrophobicContact CB-CE 4.27Å; F169-M174 HydrophobicContact CD1-CE 3.97Å; F169-M174 HydrophobicContact CD1-SD 3.5Å; F169-M174 WeakPolarHBondContact CD1-SD 3.48Å; F169-M174 HydrophobicContact CE1-SD 4.05Å; F169-M174 HydrophobicContact CG-CE 4.29Å; F169-M174 HydrophobicContact CG-SD 4.35Å; F169-M174 WeakPolarHBondContact O-CE 3.47Å; L172-M174 HydrophobicContact CB-CE 3.49Å; L172-M174 VanDerWaalsContact CB-CE 3.49Å; L172-M174 WeakPolarHBondContact O-CE 3.38Å
175S58.8Low79.4Confident47 Ų4748.8 Ų48.833%0.32928%0.283SS..  trans-75.7141.5172.362.20000111.2D173 S177 V178D173-S175 PolarHBondContact O-N 3.05Å; S175-S177 PolarHBondContact O-N 3.39Å; S175-S177 VanDerWaalsContact O-N 3.13Å; S175-S177 PolarHBondContact OG-OG 3.3Å; S175-V178 PolarHBondContact O-N 3.4Å; S175-V178 VanDerWaalsContact O-N 3.12Å; S175-V178 WeakPolarHBondContact OG-CG2 3.3Å
176R55.8Low79.4Confident96 Ų9648.8 Ų48.836%0.36228%0.283SS..THydrogen-bonded Turntrans-57.2-30.5-178.6-71.7-175.6-179.4-151.12.5112.7V178 S179 Q391R176-V178 VanDerWaalsContact C-N 3.32Å; R176-V178 PolarHBondContact O-N 3.48Å; R176-S179 PolarHBondContact O-N 2.81Å; R176-S179 PolarHBondContact O-OG 2.83Å; R176-Q391 VanDerWaalsContact CZ-NE2 3.26Å
177S55.7Low79.4Confident79 Ų7949.3 Ų49.355%0.55228%0.282SS*.THydrogen-bonded Turntrans-60.9-36178.752.70000112.9S175 S179 V180 T181S175-S177 PolarHBondContact O-N 3.39Å; S175-S177 VanDerWaalsContact O-N 3.13Å; S175-S177 PolarHBondContact OG-OG 3.3Å; S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 PolarHBondContact O-N 3.15Å; S177-V180 PolarHBondContact O-N 3.05Å; S177-V180 VanDerWaalsContact O-N 3.11Å; S177-T181 PolarHBondContact O-N 3.33Å
178V65.8Low79.5Confident33 Ų3348.8 Ų48.820%0.228%0.276CS..G310 helixtrans-65.3-34-178.8174.60000111.7L172 D173 S175 R176 V180 T181 G184L172-V178 HydrophobicContact CB-CG1 4.42Å; L172-V178 HydrophobicContact CD2-CG1 3.74Å; D173-V178 HydrophobicContact CB-CG2 4.3Å; S175-V178 PolarHBondContact O-N 3.4Å; S175-V178 VanDerWaalsContact O-N 3.12Å; S175-V178 WeakPolarHBondContact OG-CG2 3.3Å; R176-V178 VanDerWaalsContact C-N 3.32Å; R176-V178 PolarHBondContact O-N 3.48Å; V178-V180 PolarHBondContact O-N 3.5Å; V178-T181 PolarHBondContact O-N 3.31Å; V178-T181 PolarHBondContact O-OG1 3.39Å; V178-G184 WeakPolarHBondContact O-CA 3.3Å
179S72.5Confident79.5Confident4 Ų449 Ų493%0.02828%0.277CS..G310 helixtrans-66.6-14.6176.974.50000114.4R176 S177 Q185R176-S179 PolarHBondContact O-N 2.81Å; R176-S179 PolarHBondContact O-OG 2.83Å; S177-S179 VanDerWaalsContact C-N 3.3Å; S177-S179 PolarHBondContact O-N 3.15Å; S179-Q185 WeakPolarHBondContact O-CG 3.47Å
180V76.1Confident79.8Confident82 Ų8248.7 Ų48.750%0.49728%0.276SS..G310 helixtrans-99.1-17.2179.3-168.30000111.7S177 V178 Q185S177-V180 PolarHBondContact O-N 3.05Å; S177-V180 VanDerWaalsContact O-N 3.11Å; V178-V180 PolarHBondContact O-N 3.5Å; V180-Q185 PolarHBondContact O-NE2 3.1Å
181T86.4Confident80.1Confident65 Ų6542.3 Ų42.340%0.39924%0.242SC..SBendtrans-70.7145.2176.568.20000111.8S177 V178 A183 G184 Q185S177-T181 PolarHBondContact O-N 3.33Å; V178-T181 PolarHBondContact O-N 3.31Å; V178-T181 PolarHBondContact O-OG1 3.39Å; T181-A183 PolarHBondContact O-N 3.1Å; T181-G184 PolarHBondContact O-N 3.32Å; T181-G184 VanDerWaalsContact O-N 3.13Å; T181-G184 PolarHBondContact OG1-N 3.42Å; T181-Q185 VanDerWaalsContact O-CG 3.31Å; T181-Q185 WeakPolarHBondContact O-CG 3.38Å; T181-Q185 PolarHBondContact O-N 3.05Å
182A86.4Confident80.5Confident50 Ų5041.3 Ų41.341%0.41323%0.233SC..Hα-helixtrans-59.5-36.1179.200000112.9E18 V19 C186E18-A182 CarbonylContact O-C 3.57Å; V19-A182 HydrophobicContact CG1-CB 3.99Å; A182-C186 WeakPolarHBondContact O-CB 3.44Å; A182-C186 PolarHBondContact O-N 3.2Å
183A87Confident81Confident29 Ų2940.7 Ų40.724%0.2423%0.23CC..Hα-helixtrans-66.6-45.1174.400000112.5E18 T181 C186 R187E18-A183 VanDerWaalsContact CD-CB 3.49Å; E18-A183 HydrophobicContact CG-CB 4.07Å; E18-A183 PolarHBondContact O-N 2.91Å; E18-A183 WeakPolarHBondContact OE1-CB 3.27Å; T181-A183 PolarHBondContact O-N 3.1Å; A183-C186 WeakPolarHBondContact O-CB 3.26Å; A183-C186 PolarHBondContact O-N 3.36Å; A183-R187 PolarHBondContact O-N 2.96Å
184G89.1Confident82.5Confident1 Ų134.9 Ų34.91%0.0120%0.199CC..Hα-helixtrans-62.4-43.5174.400000112.2V178 T181 C186 R187 L188V178-G184 WeakPolarHBondContact O-CA 3.3Å; T181-G184 PolarHBondContact O-N 3.32Å; T181-G184 VanDerWaalsContact O-N 3.13Å; T181-G184 PolarHBondContact OG1-N 3.42Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.42Å; G184-R187 PolarHBondContact O-N 2.86Å; G184-R187 VanDerWaalsContact O-N 3.15Å; G184-L188 WeakPolarHBondContact O-CB 3.28Å; G184-L188 VanDerWaalsContact O-CG 3.29Å; G184-L188 WeakPolarHBondContact O-CG 3.27Å; G184-L188 PolarHBondContact O-N 3.29Å
185Q90.7Very high84.1Confident59 Ų5930.2 Ų30.228%0.27618%0.176SC..Hα-helixtrans-62.5-38.2174.3-67.1-178.6-0.900112.2A20 S179 V180 T181 R187 L188 A189 Y247A20-Q185 HydrophobicContact CB-CB 4.24Å; S179-Q185 WeakPolarHBondContact O-CG 3.47Å; V180-Q185 PolarHBondContact O-NE2 3.1Å; T181-Q185 VanDerWaalsContact O-CG 3.31Å; T181-Q185 WeakPolarHBondContact O-CG 3.38Å; T181-Q185 PolarHBondContact O-N 3.05Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; Q185-L188 PolarHBondContact O-N 3.24Å; Q185-A189 VanDerWaalsContact O-CB 3.3Å; Q185-A189 WeakPolarHBondContact O-CB 3.3Å; Q185-A189 PolarHBondContact O-N 3.27Å; Q185-Y247 HydrophobicContact CB-CD2 4.17Å; Q185-Y247 HydrophobicContact CB-CE2 3.89Å; Q185-Y247 HydrophobicContact CG-CD2 3.59Å; Q185-Y247 HydrophobicContact CG-CE2 3.78Å; Q185-Y247 HydrophobicContact CG-CG 4.47Å
186C93.2Very high85.8Confident3 Ų328.6 Ų28.62%0.0216%0.164CC..Hα-helixtrans-58.2-39.9174.1-1690000111.9E18 W59 A182 A183 G184 P190E18-C186 HydrophobicContact CG-CB 4.25Å; W59-C186 PolarHBondContact NE1-O 2.83Å; A182-C186 WeakPolarHBondContact O-CB 3.44Å; A182-C186 PolarHBondContact O-N 3.2Å; A183-C186 WeakPolarHBondContact O-CB 3.26Å; A183-C186 PolarHBondContact O-N 3.36Å; G184-C186 VanDerWaalsContact C-N 3.33Å; G184-C186 PolarHBondContact O-N 3.42Å; C186-P190 WeakPolarHBondContact O-CD 3.39Å
187R93.1Very high87.6Confident58 Ų5824 Ų2422%0.21915%0.146CC..Hα-helixtrans-76.7-35.4176.5-63.6-178.3-162.4150.813.3113.2E18 W59 Y101 V168 L172 A183 G184 Q185 P190E18-R187 IonicContact OE1-CZ 3.91Å; E18-R187 IonicContact OE1-NE 2.78Å; E18-R187 IonicContact OE1-NH2 2.91Å; E18-R187 PolarHBondContact OE1-NH2 3.4Å; W59-R187 WeakPolarHBondContact CZ2-O 3.35Å; Y101-R187 HydrophobicContact CE1-CG 3.65Å; Y101-R187 VanDerWaalsContact OH-CG 3.25Å; Y101-R187 WeakPolarHBondContact OH-CG 3.18Å; Y101-R187 PolarHBondContact OH-NE 3.44Å; V168-R187 HydrophobicContact CG1-CB 4.21Å; V168-R187 WeakPolarHBondContact CG1-O 3.41Å; L172-R187 HydrophobicContact CD2-CB 4.24Å; A183-R187 PolarHBondContact O-N 2.96Å; G184-R187 PolarHBondContact O-N 2.86Å; G184-R187 VanDerWaalsContact O-N 3.15Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; R187-P190 WeakPolarHBondContact O-CD 3.49Å
188L93.5Very high89.5Confident3 Ų320.3 Ų20.32%0.01612%0.121CC..Hα-helixtrans-79.9-32.2-177.4-70.6172.1000113.4V168 F169 L172 G184 Q185 P190 L191 L245 Y247 F248V168-L188 HydrophobicContact CG1-CD2 4.46Å; F169-L188 HydrophobicContact CE2-CD2 4.18Å; L172-L188 HydrophobicContact CD1-CD1 4.47Å; L172-L188 HydrophobicContact CD1-CD2 3.54Å; L172-L188 HydrophobicContact CD1-CG 3.82Å; G184-L188 WeakPolarHBondContact O-CB 3.28Å; G184-L188 VanDerWaalsContact O-CG 3.29Å; G184-L188 WeakPolarHBondContact O-CG 3.27Å; G184-L188 PolarHBondContact O-N 3.29Å; Q185-L188 PolarHBondContact O-N 3.24Å; L188-P190 VanDerWaalsContact C-CD 3.44Å; L188-L191 HydrophobicContact CD2-CD1 4.08Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 3.25Å; L188-L245 HydrophobicContact CD2-CD1 4.26Å; L188-Y247 HydrophobicContact CB-CD1 3.67Å; L188-Y247 HydrophobicContact CB-CE1 3.9Å; L188-Y247 HydrophobicContact CB-CG 4.38Å; L188-Y247 HydrophobicContact CD1-CD1 4.33Å; L188-Y247 HydrophobicContact CD1-CG 4.37Å; L188-F248 HydrophobicContact CB-CZ 4.08Å; L188-F248 HydrophobicContact CD2-CE2 4.15Å; L188-F248 HydrophobicContact CD2-CZ 4.04Å
189A93.4Very high90.9Very high3 Ų318.9 Ų18.93%0.02511%0.112CC..THydrogen-bonded Turntrans-51.8-43.5-17500000114.6A20 H63 Q185 L191 I192 Y247A20-A189 HydrophobicContact CB-CB 4.26Å; H63-A189 VanDerWaalsContact CE1-CB 3.5Å; H63-A189 WeakPolarHBondContact CE1-CB 3.38Å; Q185-A189 VanDerWaalsContact O-CB 3.3Å; Q185-A189 WeakPolarHBondContact O-CB 3.3Å; Q185-A189 PolarHBondContact O-N 3.27Å; A189-L191 PolarHBondContact O-N 2.68Å; A189-I192 WeakPolarHBondContact O-CB 3.36Å; A189-I192 WeakPolarHBondContact O-CG1 3.48Å; A189-I192 PolarHBondContact O-N 3.28Å; A189-Y247 WeakPolarHBondContact CA-OH 3.33Å; A189-Y247 HydrophobicContact CB-CE1 4.37Å; A189-Y247 WeakPolarHBondContact CB-OH 3.46Å
190P94.9Very high91.9Very high0 Ų020.2 Ų20.20%012%0.118CC..THydrogen-bonded Turntrans-62.7-25.7178.2-25.338.3000114.3W59 H63 Y108 C186 R187 L188 I192 Q193 V194W59-P190 HydrophobicContact CH2-CG 4.42Å; W59-P190 HydrophobicContact CZ2-CB 4.12Å; W59-P190 HydrophobicContact CZ2-CG 3.55Å; H63-P190 HydrophobicContact CB-CB 4.34Å; H63-P190 HydrophobicContact CB-CG 3.86Å; Y108-P190 HydrophobicContact CE1-CB 3.6Å; Y108-P190 HydrophobicContact CE1-CG 4.12Å; C186-P190 WeakPolarHBondContact O-CD 3.39Å; R187-P190 WeakPolarHBondContact O-CD 3.49Å; L188-P190 VanDerWaalsContact C-CD 3.44Å; P190-I192 PolarHBondContact O-N 3.37Å; P190-Q193 WeakPolarHBondContact O-CB 3.46Å; P190-Q193 PolarHBondContact O-N 3.43Å; P190-Q193 VanDerWaalsContact O-N 3.08Å; P190-V194 PolarHBondContact O-N 3.49Å
191L94.6Very high92.8Very high0 Ų016.3 Ų16.30%09%0.094CC..Hα-helixtrans-67.7-15.7-179.6-58.7-174.4000112.8F165 V168 F169 L188 A189 Q193 V194 I195 F248F165-L191 HydrophobicContact CB-CD2 4.3Å; F165-L191 HydrophobicContact CD2-CB 4.31Å; F165-L191 HydrophobicContact CD2-CD1 4.06Å; F165-L191 HydrophobicContact CD2-CD2 3.94Å; F165-L191 HydrophobicContact CD2-CG 4.34Å; F165-L191 HydrophobicContact CE1-CD1 4.46Å; F165-L191 HydrophobicContact CE2-CB 4.16Å; F165-L191 HydrophobicContact CE2-CD1 3.87Å; F165-L191 HydrophobicContact CE2-CG 4.42Å; F165-L191 HydrophobicContact CG-CD1 4.41Å; F165-L191 HydrophobicContact CG-CD2 4.25Å; F165-L191 HydrophobicContact CZ-CD1 4.04Å; V168-L191 HydrophobicContact CB-CD1 4.03Å; V168-L191 HydrophobicContact CB-CD2 4.13Å; V168-L191 HydrophobicContact CB-CG 4.38Å; V168-L191 HydrophobicContact CG1-CD1 3.71Å; V168-L191 HydrophobicContact CG1-CD2 4.48Å; V168-L191 HydrophobicContact CG1-CG 4.18Å; V168-L191 HydrophobicContact CG2-CD2 3.99Å; V168-L191 HydrophobicContact CG2-CG 4.49Å; F169-L191 HydrophobicContact CD2-CD1 3.77Å; F169-L191 HydrophobicContact CE2-CD1 3.5Å; F169-L191 VanDerWaalsContact CE2-CD1 3.5Å; L188-L191 HydrophobicContact CD2-CD1 4.08Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 3.25Å; A189-L191 PolarHBondContact O-N 2.68Å; L191-Q193 VanDerWaalsContact C-N 3.29Å; L191-Q193 PolarHBondContact O-N 3.49Å; L191-V194 HydrophobicContact CD2-CB 4.38Å; L191-V194 HydrophobicContact CD2-CG2 3.98Å; L191-V194 WeakPolarHBondContact O-CB 3.39Å; L191-V194 PolarHBondContact O-N 2.94Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 WeakPolarHBondContact O-CD1 3.39Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.49Å; L191-F248 HydrophobicContact CB-CE1 4.2Å; L191-F248 HydrophobicContact CB-CZ 3.77Å; L191-F248 HydrophobicContact CD1-CZ 4.19Å
192I93.8Very high93.2Very high16 Ų1613.4 Ų13.48%0.0828%0.076CC..Hα-helixtrans-59.7-44.1170.3-63.5176.5000110A189 P190 I195 L196 Y247 F248 L251 I252A189-I192 WeakPolarHBondContact O-CB 3.36Å; A189-I192 WeakPolarHBondContact O-CG1 3.48Å; A189-I192 PolarHBondContact O-N 3.28Å; P190-I192 PolarHBondContact O-N 3.37Å; I192-I195 PolarHBondContact O-N 3.49Å; I192-L196 HydrophobicContact CG2-CD1 4.15Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.01Å; I192-L196 VanDerWaalsContact O-N 3.12Å; I192-Y247 HydrophobicContact CD1-CE1 4.17Å; I192-F248 HydrophobicContact CG1-CD1 3.95Å; I192-F248 HydrophobicContact CG1-CE1 3.83Å; I192-L251 HydrophobicContact CD1-CB 4.28Å; I192-L251 HydrophobicContact CD1-CD1 3.8Å; I192-I252 HydrophobicContact CG1-CD1 4.35Å; I192-I252 HydrophobicContact CG2-CD1 4.4Å; I192-I252 HydrophobicContact CG2-CG2 4Å
193Q94.6Very high93.6Very high6 Ų611.2 Ų11.23%0.0286%0.057CC..Hα-helixtrans-66.1-42.7177.6-55.8-58.1-67.700110.9H66 K67 P190 L191 I195 L196 D197H66-Q193 WeakPolarHBondContact ND1-CB 3.39Å; K67-Q193 HydrophobicContact CG-CG 4.09Å; P190-Q193 WeakPolarHBondContact O-CB 3.46Å; P190-Q193 PolarHBondContact O-N 3.43Å; P190-Q193 VanDerWaalsContact O-N 3.08Å; L191-Q193 VanDerWaalsContact C-N 3.29Å; L191-Q193 PolarHBondContact O-N 3.49Å; Q193-I195 VanDerWaalsContact C-N 3.35Å; Q193-I195 PolarHBondContact O-N 3.39Å; Q193-L196 PolarHBondContact O-N 3.01Å; Q193-D197 PolarHBondContact O-N 3.36Å
194V95.6Very high93.9Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-58-45.4176.2177.30000111.5E161 L164 F165 P190 L191 D197 C198E161-V194 HydrophobicContact CB-CG1 4.08Å; E161-V194 WeakPolarHBondContact OE2-CA 3.5Å; E161-V194 WeakPolarHBondContact OE2-CB 3.49Å; E161-V194 VanDerWaalsContact OE2-CG1 3.29Å; E161-V194 WeakPolarHBondContact OE2-CG1 3.34Å; E161-V194 VanDerWaalsContact OE2-CG2 3.28Å; E161-V194 WeakPolarHBondContact OE2-CG2 3.46Å; L164-V194 HydrophobicContact CD2-CG2 3.86Å; F165-V194 HydrophobicContact CB-CG1 4.12Å; F165-V194 HydrophobicContact CD2-CG1 3.92Å; P190-V194 PolarHBondContact O-N 3.49Å; L191-V194 HydrophobicContact CD2-CB 4.38Å; L191-V194 HydrophobicContact CD2-CG2 3.98Å; L191-V194 WeakPolarHBondContact O-CB 3.39Å; L191-V194 PolarHBondContact O-N 2.94Å; V194-D197 PolarHBondContact O-N 2.96Å; V194-C198 VanDerWaalsContact O-CB 3.22Å; V194-C198 WeakPolarHBondContact O-CB 3.22Å; V194-C198 PolarHBondContact O-N 3.23Å; V194-C198 PolarHBondContact O-SG 3.26Å
195I95Very high94.2Very high0 Ų010 Ų100%05%0.046CC..Hα-helixtrans-65-42.3-179.9-71.1160.1000110.7F165 L191 I192 Q193 S199 F239 F248 I252 I254 V278F165-I195 HydrophobicContact CE2-CD1 4.18Å; F165-I195 HydrophobicContact CE2-CG1 4Å; L191-I195 WeakPolarHBondContact O-CB 3.48Å; L191-I195 WeakPolarHBondContact O-CD1 3.39Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.49Å; I192-I195 PolarHBondContact O-N 3.49Å; Q193-I195 VanDerWaalsContact C-N 3.35Å; Q193-I195 PolarHBondContact O-N 3.39Å; I195-S199 WeakPolarHBondContact O-CB 3.36Å; I195-S199 PolarHBondContact O-N 3.04Å; I195-F239 HydrophobicContact CB-CE1 4.5Å; I195-F239 HydrophobicContact CG1-CE1 4.44Å; I195-F239 HydrophobicContact CG2-CE1 4.07Å; I195-F239 HydrophobicContact CG2-CZ 4.3Å; I195-F248 HydrophobicContact CD1-CD1 4.34Å; I195-F248 HydrophobicContact CD1-CE1 4.26Å; I195-F248 HydrophobicContact CD1-CZ 4.37Å; I195-I252 HydrophobicContact CB-CD1 4.42Å; I195-I252 HydrophobicContact CD1-CD1 3.92Å; I195-I252 HydrophobicContact CG2-CD1 4.14Å; I195-I254 HydrophobicContact CD1-CD1 3.79Å; I195-I254 HydrophobicContact CG2-CD1 4.49Å; I195-I254 HydrophobicContact CG2-CG1 4.28Å; I195-I254 HydrophobicContact CG2-CG2 4.38Å; I195-V278 HydrophobicContact CG2-CG1 4.36Å; I195-V278 HydrophobicContact CG2-CG2 3.89Å
196L93.6Very high94.4Very high13 Ų137.1 Ų7.17%0.0683%0.033CC..Hα-helixtrans-62.7-46.3176.6-69.5166.7000111.7I192 Q193 S199 H200 V278 I280I192-L196 HydrophobicContact CG2-CD1 4.15Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.01Å; I192-L196 VanDerWaalsContact O-N 3.12Å; Q193-L196 PolarHBondContact O-N 3.01Å; L196-S199 PolarHBondContact O-N 3.41Å; L196-H200 PolarHBondContact O-CD2 3.19Å; L196-H200 VanDerWaalsContact O-CD2 3.28Å; L196-V278 HydrophobicContact CD2-CB 3.83Å; L196-V278 HydrophobicContact CD2-CG1 3.69Å; L196-I280 HydrophobicContact CD1-CD1 4.39Å
197D95.3Very high94.4Very high0 Ų09 Ų90%04%0.04CC..Hα-helixtrans-65.4-46.9177.8-7811.1000110.8H66 R70 K115 L129 Y157 E161 Q193 V194 S199 H200 L201H66-D197 IonicContact NE2-OD2 2.86Å; H66-D197 PolarHBondContact NE2-OD2 2.93Å; R70-D197 IonicContact CZ-OD1 3.45Å; R70-D197 IonicContact NH1-OD1 2.66Å; R70-D197 PolarHBondContact NH1-OD1 2.87Å; K115-D197 IonicContact NZ-OD1 3.53Å; K115-D197 IonicContact NZ-OD2 3.64Å; K115-D197 PolarHBondContact NZ-OD2 3.37Å; L129-D197 HydrophobicContact CD1-CB 4.2Å; Y157-D197 PolarHBondContact OH-OD2 2.81Å; E161-D197 HydrophobicContact CG-CB 4.45Å; Q193-D197 PolarHBondContact O-N 3.36Å; V194-D197 PolarHBondContact O-N 2.96Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 2.87Å; D197-H200 PolarHBondContact O-N 2.9Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 VanDerWaalsContact O-CG 3.31Å; D197-L201 WeakPolarHBondContact O-CG 3.43Å; D197-L201 PolarHBondContact O-N 3.01Å
198C95.5Very high94.4Very high2 Ų26.3 Ų6.31%0.0143%0.031CC..Hα-helixtrans-55.7-39.5177.3-75.20000113L158 V194 L201 Y202 L235 F239L158-C198 HydrophobicContact CD1-CB 4.14Å; V194-C198 VanDerWaalsContact O-CB 3.22Å; V194-C198 WeakPolarHBondContact O-CB 3.22Å; V194-C198 PolarHBondContact O-N 3.23Å; V194-C198 PolarHBondContact O-SG 3.26Å; C198-L201 PolarHBondContact O-N 3.36Å; C198-Y202 VanDerWaalsContact O-CB 3.27Å; C198-Y202 WeakPolarHBondContact O-CB 3.4Å; C198-Y202 PolarHBondContact O-N 3.38Å; C198-L235 HydrophobicContact CB-CD1 3.66Å; C198-F239 HydrophobicContact CB-CE1 4.02Å; C198-F239 HydrophobicContact CB-CZ 4.05Å
199S93.8Very high94.5Very high2 Ų26.2 Ų6.21%0.0143%0.03CC..Hα-helixtrans-60.9-45.9-179.4-158.60000111.6I195 L196 D197 D203 P276I195-S199 WeakPolarHBondContact O-CB 3.36Å; I195-S199 PolarHBondContact O-N 3.04Å; L196-S199 PolarHBondContact O-N 3.41Å; D197-S199 VanDerWaalsContact C-N 3.27Å; D197-S199 PolarHBondContact O-N 2.87Å; S199-D203 PolarHBondContact O-N 3.34Å; S199-P276 WeakPolarHBondContact OG-CB 3.27Å; S199-P276 PolarHBondContact OG-O 3Å
200H94.3Very high94.5Very high33 Ų336.8 Ų6.815%0.1533%0.032CC..Hα-helixtrans-73.1-43.2178.4-68.4-59.1000112.2L129 L196 D197 Y202 D203 Y204L129-H200 HydrophobicContact CB-CB 3.88Å; L129-H200 HydrophobicContact CD1-CB 4.49Å; L196-H200 PolarHBondContact O-CD2 3.19Å; L196-H200 VanDerWaalsContact O-CD2 3.28Å; D197-H200 PolarHBondContact O-N 2.9Å; H200-Y202 VanDerWaalsContact C-N 3.31Å; H200-Y202 PolarHBondContact O-N 3.27Å; H200-D203 PolarHBondContact O-N 3.39Å; H200-Y204 HydrophobicContact CB-CE2 4.07Å; H200-Y204 VanDerWaalsContact O-CD2 3.31Å; H200-Y204 WeakPolarHBondContact O-CD2 3.32Å; H200-Y204 VanDerWaalsContact O-CG 3.25Å; H200-Y204 PolarHBondContact O-N 3.2Å
201L95.4Very high94.3Very high0 Ų08.7 Ų8.70%04%0.04CC..Hα-helixtrans-61.3-39.6178.4-69.6171.5000111.8L129 M154 Y157 L158 E161 D197 C198 T205L129-L201 HydrophobicContact CD1-CD1 4.48Å; L129-L201 HydrophobicContact CD1-CD2 4.03Å; L129-L201 HydrophobicContact CD1-CG 3.94Å; M154-L201 HydrophobicContact CB-CD2 4.4Å; M154-L201 HydrophobicContact CG-CD2 4.18Å; M154-L201 HydrophobicContact SD-CD2 4.49Å; Y157-L201 HydrophobicContact CD1-CD1 4.14Å; Y157-L201 HydrophobicContact CD1-CD2 3.95Å; Y157-L201 HydrophobicContact CD2-CD1 4.2Å; Y157-L201 HydrophobicContact CE1-CD1 4.43Å; Y157-L201 HydrophobicContact CE1-CD2 4.43Å; Y157-L201 HydrophobicContact CE2-CD1 4.43Å; Y157-L201 HydrophobicContact CG-CD1 3.99Å; Y157-L201 HydrophobicContact CG-CD2 4.41Å; L158-L201 HydrophobicContact CB-CB 4.28Å; L158-L201 HydrophobicContact CB-CD1 4.15Å; L158-L201 HydrophobicContact CD1-CB 4.24Å; L158-L201 HydrophobicContact CD1-CD1 4.4Å; L158-L201 HydrophobicContact CD2-CB 4.48Å; E161-L201 HydrophobicContact CG-CD1 4.26Å; D197-L201 WeakPolarHBondContact O-CB 3.33Å; D197-L201 VanDerWaalsContact O-CG 3.31Å; D197-L201 WeakPolarHBondContact O-CG 3.43Å; D197-L201 PolarHBondContact O-N 3.01Å; C198-L201 PolarHBondContact O-N 3.36Å; L201-T205 WeakPolarHBondContact O-CB 3.49Å; L201-T205 VanDerWaalsContact O-CG2 3.25Å; L201-T205 WeakPolarHBondContact O-CG2 3.41Å; L201-T205 PolarHBondContact O-N 3.03Å; L201-T205 PolarHBondContact O-OG1 3.02Å
202Y94.9Very high94.3Very high3 Ų38.8 Ų8.81%0.0124%0.04CC..Hα-helixtrans-62.7-49.1173.7171.6-102.8000112.2C198 H200 Y204 T205 V206 F228 F232 L235 L257 H273 P276C198-Y202 VanDerWaalsContact O-CB 3.27Å; C198-Y202 WeakPolarHBondContact O-CB 3.4Å; C198-Y202 PolarHBondContact O-N 3.38Å; H200-Y202 VanDerWaalsContact C-N 3.31Å; H200-Y202 PolarHBondContact O-N 3.27Å; Y202-Y204 VanDerWaalsContact C-N 3.3Å; Y202-Y204 PolarHBondContact O-N 2.87Å; Y202-T205 WeakPolarHBondContact CA-OG1 3.4Å; Y202-T205 PolarHBondContact O-N 3.27Å; Y202-T205 PolarHBondContact O-OG1 2.75Å; Y202-V206 HydrophobicContact CD2-CG2 4.32Å; Y202-V206 HydrophobicContact CE1-CG2 4.3Å; Y202-V206 HydrophobicContact CE2-CG2 3.85Å; Y202-V206 WeakPolarHBondContact O-CG2 3.35Å; Y202-V206 PolarHBondContact O-N 3.24Å; Y202-F228 HydrophobicContact CD2-CE2 4.13Å; Y202-F228 HydrophobicContact CD2-CZ 4.31Å; Y202-F228 AromaticContact CE2-CE2 3.89Å; Y202-F228 HydrophobicContact CE2-CE2 3.89Å; Y202-F228 AromaticContact CE2-CZ 3.61Å; Y202-F228 HydrophobicContact CE2-CZ 3.61Å; Y202-F232 AromaticContact CE2-CD2 3.63Å; Y202-F232 HydrophobicContact CE2-CD2 3.63Å; Y202-F232 HydrophobicContact CE2-CE2 4.12Å; Y202-L235 HydrophobicContact CD2-CD2 3.91Å; Y202-L235 HydrophobicContact CG-CD2 3.85Å; Y202-L257 HydrophobicContact CD1-CD2 4.03Å; Y202-L257 HydrophobicContact CE1-CD2 3.71Å; Y202-H273 AromaticContact CE1-CE1 3.77Å; Y202-P276 HydrophobicContact CD1-CG 3.72Å; Y202-P276 HydrophobicContact CE1-CG 4.26Å
203D93.9Very high94.2Very high4 Ų49.5 Ų9.52%0.0214%0.044CC..Hα-helixtrans-58.9-43.2179.5-179.452.5000111.9S199 H200 V206 K207 H273S199-D203 PolarHBondContact O-N 3.34Å; H200-D203 PolarHBondContact O-N 3.39Å; D203-V206 PolarHBondContact O-N 2.67Å; D203-K207 VanDerWaalsContact CG-NZ 3.28Å; D203-K207 WeakPolarHBondContact O-CG 3.23Å; D203-K207 PolarHBondContact O-N 2.85Å; D203-K207 VanDerWaalsContact O-N 3.15Å; D203-K207 WeakPolarHBondContact OD1-CE 3.17Å; D203-K207 IonicContact OD1-NZ 2.67Å; D203-K207 PolarHBondContact OD1-NZ 3.25Å; D203-K207 WeakPolarHBondContact OD2-CE 3.31Å; D203-K207 IonicContact OD2-NZ 3.22Å; D203-K207 PolarHBondContact OD2-NZ 2.9Å; D203-H273 IonicContact OD1-CD2 2.66Å; D203-H273 IonicContact OD1-CE1 2.79Å; D203-H273 IonicContact OD1-NE2 2.75Å; D203-H273 PolarHBondContact OD1-NE2 3.48Å
204Y94.8Very high94Very high4 Ų413.7 Ų13.72%0.0167%0.073CC..Hα-helixtrans-71.3-40.8179.1-60.9-24.2000113F125 L129 M131 L136 M154 H200 Y202 V206 K207 L208F125-Y204 HydrophobicContact CE1-CD2 4.29Å; F125-Y204 HydrophobicContact CE1-CE2 4.45Å; L129-Y204 HydrophobicContact CB-CE2 4.49Å; L129-Y204 VanDerWaalsContact O-CE2 3.23Å; L129-Y204 WeakPolarHBondContact O-CE2 3.39Å; L129-Y204 PolarHBondContact O-OH 3.11Å; M131-Y204 HydrophobicContact CG-CE1 4.13Å; M131-Y204 HydrophobicContact CG-CE2 3.91Å; M131-Y204 VanDerWaalsContact CG-CZ 3.45Å; M131-Y204 WeakPolarHBondContact CG-OH 3.28Å; M131-Y204 PolarHBondContact N-OH 3.32Å; M131-Y204 PolarHBondContact O-OH 2.97Å; M131-Y204 HydrophobicContact SD-CE2 4.39Å; L136-Y204 HydrophobicContact CD1-CD1 4.24Å; L136-Y204 HydrophobicContact CD1-CG 4.09Å; L136-Y204 HydrophobicContact CD2-CD1 3.6Å; L136-Y204 HydrophobicContact CD2-CE1 4.28Å; L136-Y204 HydrophobicContact CD2-CG 4.12Å; L136-Y204 HydrophobicContact CG-CD1 4.47Å; M154-Y204 HydrophobicContact CE-CD2 3.79Å; M154-Y204 HydrophobicContact CE-CG 4.14Å; M154-Y204 WeakPolarHBondContact SD-CB 3.22Å; M154-Y204 HydrophobicContact SD-CD2 4.39Å; M154-Y204 HydrophobicContact SD-CG 4.41Å; H200-Y204 HydrophobicContact CB-CE2 4.07Å; H200-Y204 VanDerWaalsContact O-CD2 3.31Å; H200-Y204 WeakPolarHBondContact O-CD2 3.32Å; H200-Y204 VanDerWaalsContact O-CG 3.25Å; H200-Y204 PolarHBondContact O-N 3.2Å; Y202-Y204 VanDerWaalsContact C-N 3.3Å; Y202-Y204 PolarHBondContact O-N 2.87Å; Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 3.21Å; Y204-K207 PolarHBondContact O-N 3.07Å; Y204-L208 VanDerWaalsContact O-CB 3.29Å; Y204-L208 WeakPolarHBondContact O-CB 3.28Å; Y204-L208 WeakPolarHBondContact O-CG 3.47Å; Y204-L208 PolarHBondContact O-N 3.04Å
205T94.9Very high93.8Very high0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-62.2-37.5175.549.50000111.9M154 F155 L201 Y202 L209M154-T205 HydrophobicContact CB-CG2 3.75Å; M154-T205 HydrophobicContact SD-CG2 4.44Å; F155-T205 HydrophobicContact CD1-CG2 3.91Å; F155-T205 HydrophobicContact CE1-CG2 3.86Å; L201-T205 WeakPolarHBondContact O-CB 3.49Å; L201-T205 VanDerWaalsContact O-CG2 3.25Å; L201-T205 WeakPolarHBondContact O-CG2 3.41Å; L201-T205 PolarHBondContact O-N 3.03Å; L201-T205 PolarHBondContact O-OG1 3.02Å; Y202-T205 WeakPolarHBondContact CA-OG1 3.4Å; Y202-T205 PolarHBondContact O-N 3.27Å; Y202-T205 PolarHBondContact O-OG1 2.75Å; T205-L209 VanDerWaalsContact O-CB 3.28Å; T205-L209 WeakPolarHBondContact O-CB 3.39Å; T205-L209 WeakPolarHBondContact O-CD1 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.43Å; T205-L209 PolarHBondContact O-N 3.45Å
206V94.4Very high93.6Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-60.9-52.6172.7172.80000111.1Y202 D203 Y204 L208 L209 F210 F228 P262 F264 H273Y202-V206 HydrophobicContact CD2-CG2 4.32Å; Y202-V206 HydrophobicContact CE1-CG2 4.3Å; Y202-V206 HydrophobicContact CE2-CG2 3.85Å; Y202-V206 WeakPolarHBondContact O-CG2 3.35Å; Y202-V206 PolarHBondContact O-N 3.24Å; D203-V206 PolarHBondContact O-N 2.67Å; Y204-V206 VanDerWaalsContact C-N 3.3Å; Y204-V206 PolarHBondContact O-N 3.21Å; V206-L208 PolarHBondContact O-N 3.39Å; V206-L209 PolarHBondContact O-N 2.89Å; V206-F210 HydrophobicContact CG1-CD2 3.84Å; V206-F210 HydrophobicContact CG1-CE2 3.74Å; V206-F210 VanDerWaalsContact O-CD2 3.27Å; V206-F210 WeakPolarHBondContact O-CD2 3.49Å; V206-F210 PolarHBondContact O-N 3.05Å; V206-F210 VanDerWaalsContact O-N 3.09Å; V206-F228 HydrophobicContact CG2-CE2 3.61Å; V206-F228 HydrophobicContact CG2-CZ 3.62Å; V206-P262 HydrophobicContact CG1-CB 4.49Å; V206-P262 HydrophobicContact CG1-CG 4.11Å; V206-P262 HydrophobicContact CG2-CG 4.19Å; V206-F264 HydrophobicContact CG1-CE1 4.27Å; V206-H273 HydrophobicContact CG1-CB 4.4Å
207K93.1Very high93.3Very high42 Ų4222.5 Ų22.518%0.18313%0.13CC..Hα-helixtrans-61.9-45-178-71.7169.6-177.5168.90112.3N133 L136 D203 Y204 F210 K211 L270N133-K207 WeakPolarHBondContact OD1-CE 3.42Å; N133-K207 PolarHBondContact OD1-NZ 2.65Å; L136-K207 HydrophobicContact CD2-CB 4.09Å; L136-K207 HydrophobicContact CD2-CD 4.16Å; D203-K207 VanDerWaalsContact CG-NZ 3.28Å; D203-K207 WeakPolarHBondContact O-CG 3.23Å; D203-K207 PolarHBondContact O-N 2.85Å; D203-K207 VanDerWaalsContact O-N 3.15Å; D203-K207 WeakPolarHBondContact OD1-CE 3.17Å; D203-K207 IonicContact OD1-NZ 2.67Å; D203-K207 PolarHBondContact OD1-NZ 3.25Å; D203-K207 WeakPolarHBondContact OD2-CE 3.31Å; D203-K207 IonicContact OD2-NZ 3.22Å; D203-K207 PolarHBondContact OD2-NZ 2.9Å; Y204-K207 PolarHBondContact O-N 3.07Å; K207-F210 PolarHBondContact O-N 3.18Å; K207-K211 PolarHBondContact O-N 2.81Å; K207-L270 HydrophobicContact CG-CD1 4.49Å
208L93.7Very high93Very high2 Ų224.3 Ų24.31%0.0114%0.144CC..Hα-helixtrans-65-39178.1-69.8173.3000111.7L136 F147 L150 T151 M154 Y204 V206 K211 L212L136-L208 HydrophobicContact CD1-CD2 4.47Å; L136-L208 HydrophobicContact CG-CD2 4.46Å; F147-L208 HydrophobicContact CD1-CD2 3.62Å; F147-L208 HydrophobicContact CE1-CD2 4.31Å; L150-L208 HydrophobicContact CD2-CD1 4.01Å; L150-L208 HydrophobicContact CD2-CD2 4.19Å; L150-L208 HydrophobicContact CG-CD1 3.99Å; T151-L208 WeakPolarHBondContact OG1-CB 3.4Å; M154-L208 HydrophobicContact CE-CD1 4.17Å; M154-L208 HydrophobicContact SD-CD1 3.67Å; Y204-L208 VanDerWaalsContact O-CB 3.29Å; Y204-L208 WeakPolarHBondContact O-CB 3.28Å; Y204-L208 WeakPolarHBondContact O-CG 3.47Å; Y204-L208 PolarHBondContact O-N 3.04Å; V206-L208 PolarHBondContact O-N 3.39Å; L208-K211 CarbonylContact O-C 3.56Å; L208-K211 WeakPolarHBondContact O-CB 3.46Å; L208-K211 PolarHBondContact O-N 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.24Å; L208-L212 PolarHBondContact O-N 2.88Å
209L94.3Very high92.7Very high0 Ų031 Ų310%018%0.18CC..Hα-helixtrans-64-43.2175.8-79.5171.5000112.8T151 F155 T205 V206 K211 L212 H213 H224 F228 F264T151-L209 HydrophobicContact CG2-CD2 4.3Å; T151-L209 HydrophobicContact CG2-CG 4.4Å; F155-L209 HydrophobicContact CZ-CD1 4.08Å; F155-L209 HydrophobicContact CZ-CD2 4.44Å; F155-L209 HydrophobicContact CZ-CG 4.48Å; T205-L209 VanDerWaalsContact O-CB 3.28Å; T205-L209 WeakPolarHBondContact O-CB 3.39Å; T205-L209 WeakPolarHBondContact O-CD1 3.25Å; T205-L209 WeakPolarHBondContact O-CG 3.43Å; T205-L209 PolarHBondContact O-N 3.45Å; V206-L209 PolarHBondContact O-N 2.89Å; L209-K211 VanDerWaalsContact C-N 3.26Å; L209-K211 PolarHBondContact O-N 3.4Å; L209-L212 PolarHBondContact O-N 3.48Å; L209-H213 WeakPolarHBondContact O-CB 3.23Å; L209-H213 PolarHBondContact O-CD2 3.04Å; L209-H213 PolarHBondContact O-N 2.81Å; L209-H224 HydrophobicContact CD2-CB 3.67Å; L209-F228 HydrophobicContact CD1-CB 3.83Å; L209-F228 HydrophobicContact CD1-CD2 3.61Å; L209-F228 HydrophobicContact CD1-CE2 4.33Å; L209-F228 HydrophobicContact CD1-CG 3.75Å; L209-F264 HydrophobicContact CB-CD1 3.68Å; L209-F264 HydrophobicContact CB-CE1 3.57Å; L209-F264 HydrophobicContact CB-CG 4.32Å; L209-F264 HydrophobicContact CB-CZ 4.14Å; L209-F264 HydrophobicContact CD1-CD1 4.37Å; L209-F264 HydrophobicContact CD1-CD2 4.39Å; L209-F264 HydrophobicContact CD1-CE1 3.75Å; L209-F264 HydrophobicContact CD1-CE2 3.77Å; L209-F264 HydrophobicContact CD1-CZ 3.4Å; L209-F264 HydrophobicContact CG-CE1 4.34Å; L209-F264 HydrophobicContact CG-CZ 4.43Å
210F93.4Very high92.6Very high15 Ų1534.7 Ų34.77%0.06620%0.203CC..Hα-helixtrans-61.5-37.8173.4-83.3-70.6000111.7V206 K207 H213 S214 P262 F264 A269 L270V206-F210 HydrophobicContact CG1-CD2 3.84Å; V206-F210 HydrophobicContact CG1-CE2 3.74Å; V206-F210 VanDerWaalsContact O-CD2 3.27Å; V206-F210 WeakPolarHBondContact O-CD2 3.49Å; V206-F210 PolarHBondContact O-N 3.05Å; V206-F210 VanDerWaalsContact O-N 3.09Å; K207-F210 PolarHBondContact O-N 3.18Å; F210-H213 PolarHBondContact O-N 3.19Å; F210-S214 PolarHBondContact O-N 3.07Å; F210-S214 VanDerWaalsContact O-N 3.1Å; F210-P262 HydrophobicContact CE2-CB 3.91Å; F210-P262 HydrophobicContact CZ-CB 4.01Å; F210-F264 HydrophobicContact CD1-CD1 4.31Å; F210-F264 AromaticContact CD2-CD1 3.85Å; F210-F264 HydrophobicContact CD2-CD1 3.85Å; F210-F264 HydrophobicContact CD2-CE1 4.04Å; F210-F264 HydrophobicContact CE1-CD1 4.22Å; F210-F264 AromaticContact CE2-CD1 3.76Å; F210-F264 HydrophobicContact CE2-CD1 3.76Å; F210-F264 AromaticContact CE2-CE1 3.9Å; F210-F264 HydrophobicContact CE2-CE1 3.9Å; F210-F264 HydrophobicContact CG-CD1 4.13Å; F210-F264 AromaticContact CZ-CD1 3.95Å; F210-F264 HydrophobicContact CZ-CD1 3.95Å; F210-F264 HydrophobicContact CZ-CE1 4.45Å; F210-A269 HydrophobicContact CE1-CB 4.22Å; F210-A269 HydrophobicContact CZ-CB 3.86Å; F210-L270 HydrophobicContact CB-CD1 4.38Å; F210-L270 HydrophobicContact CB-CD2 4.15Å; F210-L270 HydrophobicContact CD1-CB 4.07Å; F210-L270 HydrophobicContact CD2-CB 3.9Å; F210-L270 HydrophobicContact CD2-CD1 3.55Å; F210-L270 HydrophobicContact CD2-CG 4.2Å; F210-L270 HydrophobicContact CE1-CB 4.15Å; F210-L270 HydrophobicContact CE2-CB 3.99Å; F210-L270 HydrophobicContact CE2-CD1 4.04Å; F210-L270 HydrophobicContact CG-CB 3.94Å; F210-L270 HydrophobicContact CG-CD1 4.11Å; F210-L270 HydrophobicContact CG-CD2 4.37Å; F210-L270 HydrophobicContact CG-CG 4.35Å; F210-L270 HydrophobicContact CZ-CB 4.12Å
211K91.5Very high92.7Very high41 Ų4133.1 Ų33.118%0.17820%0.195CC..Hα-helixtrans-67.9-40.1175.9-166.7168.4-169.6171.90112.7D137 F147 K207 L208 L209 H213 S214 C215D137-K211 VanDerWaalsContact CG-NZ 3.33Å; D137-K211 IonicContact OD1-NZ 2.95Å; D137-K211 PolarHBondContact OD1-NZ 3.41Å; F147-K211 HydrophobicContact CD1-CD 4.06Å; F147-K211 HydrophobicContact CD2-CD 4.18Å; F147-K211 HydrophobicContact CE1-CD 3.78Å; F147-K211 HydrophobicContact CE2-CD 3.94Å; F147-K211 HydrophobicContact CG-CD 4.28Å; F147-K211 HydrophobicContact CZ-CD 3.79Å; K207-K211 PolarHBondContact O-N 2.81Å; L208-K211 CarbonylContact O-C 3.56Å; L208-K211 WeakPolarHBondContact O-CB 3.46Å; L208-K211 PolarHBondContact O-N 3.32Å; L209-K211 VanDerWaalsContact C-N 3.26Å; L209-K211 PolarHBondContact O-N 3.4Å; K211-H213 VanDerWaalsContact C-N 3.33Å; K211-S214 PolarHBondContact O-N 3.4Å; K211-S214 PolarHBondContact O-OG 3.31Å; K211-C215 PolarHBondContact O-N 2.96Å; K211-C215 PolarHBondContact O-SG 2.93Å
212L93.8Very high92.5Very high1 Ų137.2 Ų37.21%0.00521%0.214CC..Hα-helixtrans-64.8-40.5173.7-72.5173.9000111.1V144 F147 F148 T151 L208 L209 S214 C215 L216 L221V144-L212 HydrophobicContact CG1-CD2 4.31Å; F147-L212 HydrophobicContact CB-CD2 3.8Å; F147-L212 HydrophobicContact CB-CG 4.38Å; F148-L212 HydrophobicContact CB-CD2 4.07Å; T151-L212 HydrophobicContact CG2-CD1 4.22Å; T151-L212 WeakPolarHBondContact OG1-CD1 3.17Å; L208-L212 WeakPolarHBondContact O-CG 3.24Å; L208-L212 PolarHBondContact O-N 2.88Å; L209-L212 PolarHBondContact O-N 3.48Å; L212-S214 PolarHBondContact O-N 3.09Å; L212-C215 CarbonylContact O-C 3.25Å; L212-C215 PolarHBondContact O-N 3.48Å; L212-L216 HydrophobicContact CD2-CD1 4.11Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 PolarHBondContact O-N 3.43Å; L212-L221 HydrophobicContact CB-CD1 3.66Å; L212-L221 HydrophobicContact CB-CD2 4.01Å; L212-L221 HydrophobicContact CD1-CD2 4.11Å
213H92.8Very high92.4Very high32 Ų3239.1 Ų39.115%0.14824%0.235CC..Hα-helixtrans-66.5-22.1177.3-94.4-74.6000114.2L209 F210 K211 C215 L221 R225L209-H213 WeakPolarHBondContact O-CB 3.23Å; L209-H213 PolarHBondContact O-CD2 3.04Å; L209-H213 PolarHBondContact O-N 2.81Å; F210-H213 PolarHBondContact O-N 3.19Å; K211-H213 VanDerWaalsContact C-N 3.33Å; H213-C215 VanDerWaalsContact C-N 3.33Å; H213-L221 HydrophobicContact CB-CD1 4.33Å; H213-R225 PolarHBondContact CE1-NH1 3.39Å; H213-R225 PolarHBondContact NE2-NH1 3.33Å
214S90.1Very high92.5Very high93 Ų9339.8 Ų39.865%0.6524%0.238SC*.Hα-helixtrans-80.5-15.7171.971.70000113.2F210 K211 L212F210-S214 PolarHBondContact O-N 3.07Å; F210-S214 VanDerWaalsContact O-N 3.1Å; K211-S214 PolarHBondContact O-N 3.4Å; K211-S214 PolarHBondContact O-OG 3.31Å; L212-S214 PolarHBondContact O-N 3.09Å
215C90.6Very high92.5Very high70 Ų7041.3 Ų41.347%0.47324%0.244SC..Hα-helixtrans-115-19.9-176-59.10000114.5V144 K211 L212 H213V144-C215 HydrophobicContact CG1-CB 4.22Å; V144-C215 HydrophobicContact CG2-CB 3.65Å; K211-C215 PolarHBondContact O-N 2.96Å; K211-C215 PolarHBondContact O-SG 2.93Å; L212-C215 CarbonylContact O-C 3.25Å; L212-C215 PolarHBondContact O-N 3.48Å; H213-C215 VanDerWaalsContact C-N 3.33Å
216L91.5Very high92.5Very high45 Ų4545.6 Ų45.624%0.23627%0.267CS..SBendtrans-128.5150.5-174-65.3174.3000112.3V144 F148 L212 L221V144-L216 HydrophobicContact CG1-CD1 3.7Å; V144-L216 HydrophobicContact CG1-CD2 3.81Å; V144-L216 HydrophobicContact CG1-CG 3.65Å; F148-L216 HydrophobicContact CD2-CD1 4.1Å; L212-L216 HydrophobicContact CD2-CD1 4.11Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 PolarHBondContact O-N 3.43Å; L216-L221 HydrophobicContact CB-CD1 4.18Å; L216-L221 HydrophobicContact CB-CG 4.34Å; L216-L221 HydrophobicContact CD1-CD2 4.12Å
217P88.4Confident92.6Very high84 Ų8448.9 Ų48.955%0.54528%0.279SS..  trans-60.4148.9174.3-21.532.8000112.9D219 T220P217-D219 VanDerWaalsContact C-N 3.26Å; P217-D219 PolarHBondContact O-N 3.31Å; P217-T220 WeakPolarHBondContact O-CB 3.35Å; P217-T220 PolarHBondContact O-N 2.99Å; P217-T220 VanDerWaalsContact O-N 3.16Å
218A87.4Confident92.8Very high37 Ų3747.1 Ų47.131%0.30627%0.271SS..G310 helixtrans-57.7-38.1-179.700000112.7T220 L221 Q222 R225 L265A218-T220 VanDerWaalsContact C-N 3.29Å; A218-T220 PolarHBondContact O-N 3.23Å; A218-L221 PolarHBondContact O-N 3.36Å; A218-L221 VanDerWaalsContact O-N 3.15Å; A218-Q222 PolarHBondContact O-N 3.33Å; A218-R225 VanDerWaalsContact O-CZ 3.27Å; A218-R225 PolarHBondContact O-NH1 3.12Å; A218-R225 PolarHBondContact O-NH2 3.39Å; A218-L265 HydrophobicContact CB-CD2 3.78Å
219D89.8Confident92.8Very high144 Ų14450.3 Ų50.377%0.7729%0.287SS*.G310 helixtrans-63.8-34.6-178.4-60.8-23000112.2P217 L221 Q222P217-D219 VanDerWaalsContact C-N 3.26Å; P217-D219 PolarHBondContact O-N 3.31Å; D219-L221 VanDerWaalsContact C-N 3.27Å; D219-L221 PolarHBondContact O-N 3.11Å; D219-Q222 PolarHBondContact O-N 2.66Å
220T92.4Very high92.9Very high79 Ų7955.4 Ų55.449%0.48531%0.31SS..G310 helixtrans-66.4-29.5177.6-50.20000112.3P217 A218P217-T220 WeakPolarHBondContact O-CB 3.35Å; P217-T220 PolarHBondContact O-N 2.99Å; P217-T220 VanDerWaalsContact O-N 3.16Å; A218-T220 VanDerWaalsContact C-N 3.29Å; A218-T220 PolarHBondContact O-N 3.23Å
221L94.8Very high93Very high0 Ų055.1 Ų55.10%031%0.309CS..G310 helixtrans-99.110.1-176.3-63.9174.3000113.6F148 L212 H213 L216 A218 D219 G223 H224 R225F148-L221 HydrophobicContact CD2-CD2 4.33Å; F148-L221 HydrophobicContact CE2-CD2 4.25Å; L212-L221 HydrophobicContact CB-CD1 3.66Å; L212-L221 HydrophobicContact CB-CD2 4.01Å; L212-L221 HydrophobicContact CD1-CD2 4.11Å; H213-L221 HydrophobicContact CB-CD1 4.33Å; L216-L221 HydrophobicContact CB-CD1 4.18Å; L216-L221 HydrophobicContact CB-CG 4.34Å; L216-L221 HydrophobicContact CD1-CD2 4.12Å; A218-L221 PolarHBondContact O-N 3.36Å; A218-L221 VanDerWaalsContact O-N 3.15Å; D219-L221 VanDerWaalsContact C-N 3.27Å; D219-L221 PolarHBondContact O-N 3.11Å; L221-G223 PolarHBondContact O-N 3.18Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.18Å; L221-H224 VanDerWaalsContact O-N 3.1Å; L221-R225 PolarHBondContact O-N 3.33Å; L221-R225 PolarHBondContact O-NH1 2.91Å
222Q92.3Very high93.1Very high85 Ų8553.5 Ų53.540%0.39730%0.302SS..Hα-helixtrans-56.5-50-179.8-176.457.444.500111.9A218 D219 H224 R225 D226A218-Q222 PolarHBondContact O-N 3.33Å; D219-Q222 PolarHBondContact O-N 2.66Å; Q222-H224 PolarHBondContact O-N 2.81Å; Q222-R225 PolarHBondContact O-N 3.12Å; Q222-R225 VanDerWaalsContact O-N 3.12Å; Q222-D226 VanDerWaalsContact NE2-CG 3.31Å; Q222-D226 PolarHBondContact NE2-OD1 3.3Å; Q222-D226 PolarHBondContact NE2-OD2 3.4Å; Q222-D226 VanDerWaalsContact NE2-OD2 3.11Å; Q222-D226 VanDerWaalsContact O-CG 3.31Å; Q222-D226 PolarHBondContact O-N 3.4Å
223G92.9Very high93.1Very high44 Ų4459.9 Ų59.945%0.45433%0.33SS..Hα-helixtrans-61.5-2917800000113.9L221 R227L221-G223 PolarHBondContact O-N 3.18Å; G223-R227 WeakPolarHBondContact O-CG 3.27Å; G223-R227 PolarHBondContact O-N 2.77Å
224H95.4Very high93.2Very high17 Ų1761.1 Ų61.18%0.07934%0.335CS..Hα-helixtrans-71.6-42.7175.8-73.265.6000111.6F148 F155 L209 L221 Q222 D226 F228F148-H224 AromaticContact CD2-CE1 3.94Å; F148-H224 AromaticContact CE1-CE1 3.84Å; F148-H224 AromaticContact CE2-CE1 3.3Å; F148-H224 WeakPolarHBondContact CE2-CE1 3.5Å; F148-H224 AromaticContact CE2-NE2 3.84Å; F148-H224 AromaticContact CZ-CE1 3.26Å; F148-H224 WeakPolarHBondContact CZ-CE1 3.29Å; F148-H224 AromaticContact CZ-NE2 3.93Å; F155-H224 HydrophobicContact CE2-CB 4.24Å; F155-H224 AromaticContact CE2-CD2 3.91Å; L209-H224 HydrophobicContact CD2-CB 3.67Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.18Å; L221-H224 VanDerWaalsContact O-N 3.1Å; Q222-H224 PolarHBondContact O-N 2.81Å; H224-D226 VanDerWaalsContact C-N 3.34Å; H224-F228 WeakPolarHBondContact O-CB 3.46Å; H224-F228 PolarHBondContact O-N 2.92Å
225R95.1Very high93.4Very high36 Ų3656.8 Ų56.814%0.13630%0.304CS..Hα-helixtrans-63.5-40.7174.8-68.5-169.6-63.5-814.9111.5H213 A218 L221 Q222 F228 Q229 F264H213-R225 PolarHBondContact CE1-NH1 3.39Å; H213-R225 PolarHBondContact NE2-NH1 3.33Å; A218-R225 VanDerWaalsContact O-CZ 3.27Å; A218-R225 PolarHBondContact O-NH1 3.12Å; A218-R225 PolarHBondContact O-NH2 3.39Å; L221-R225 PolarHBondContact O-N 3.33Å; L221-R225 PolarHBondContact O-NH1 2.91Å; Q222-R225 PolarHBondContact O-N 3.12Å; Q222-R225 VanDerWaalsContact O-N 3.12Å; R225-F228 PolarHBondContact O-N 3.01Å; R225-Q229 WeakPolarHBondContact O-CB 3.49Å; R225-Q229 PolarHBondContact O-N 2.98Å; R225-F264 HydrophobicContact CG-CD2 4.19Å
226D94.8Very high93.5Very high90 Ų9056.9 Ų56.948%0.48130%0.297SS..Hα-helixtrans-64.8-47178.9-65.1-28.1000111.5Q222 H224 Q229 E230Q222-D226 VanDerWaalsContact NE2-CG 3.31Å; Q222-D226 PolarHBondContact NE2-OD1 3.3Å; Q222-D226 PolarHBondContact NE2-OD2 3.4Å; Q222-D226 VanDerWaalsContact NE2-OD2 3.11Å; Q222-D226 VanDerWaalsContact O-CG 3.31Å; Q222-D226 PolarHBondContact O-N 3.4Å; H224-D226 VanDerWaalsContact C-N 3.34Å; D226-Q229 PolarHBondContact O-N 2.99Å; D226-E230 PolarHBondContact O-N 2.93Å; D226-E230 VanDerWaalsContact O-N 3.11Å
227R96.4Very high93.4Very high70 Ų7056.8 Ų56.826%0.26430%0.3SS..Hα-helixtrans-60.1-46.3173.8-74.5-17179.5-174.24.3111.7F155 D156 E159 G223 Q229 E230 Q231F155-R227 HydrophobicContact CD2-CB 4.42Å; F155-R227 HydrophobicContact CE2-CB 4.43Å; D156-R227 IonicContact OD1-CZ 3.39Å; D156-R227 IonicContact OD1-NH1 2.78Å; D156-R227 PolarHBondContact OD1-NH1 3.16Å; D156-R227 IonicContact OD1-NH2 3.3Å; D156-R227 PolarHBondContact OD1-NH2 3.37Å; E159-R227 IonicContact OE2-NH2 3.05Å; E159-R227 PolarHBondContact OE2-NH2 3.43Å; G223-R227 WeakPolarHBondContact O-CG 3.27Å; G223-R227 PolarHBondContact O-N 2.77Å; R227-Q229 VanDerWaalsContact C-N 3.33Å; R227-Q229 PolarHBondContact O-N 3.32Å; R227-E230 PolarHBondContact O-N 3.18Å; R227-Q231 WeakPolarHBondContact O-CG 3.48Å; R227-Q231 PolarHBondContact O-N 3.43Å
228F96.8Very high93.5Very high4 Ų453 Ų532%0.01828%0.275CS..Hα-helixtrans-59.1-44.7177.2178.6-90.2000111.8F155 Y202 V206 L209 H224 R225 E230 Q231 F232 P261 F264F155-F228 HydrophobicContact CE1-CB 3.98Å; F155-F228 HydrophobicContact CE1-CD2 4.14Å; F155-F228 HydrophobicContact CZ-CB 3.87Å; F155-F228 HydrophobicContact CZ-CD2 4.5Å; Y202-F228 HydrophobicContact CD2-CE2 4.13Å; Y202-F228 HydrophobicContact CD2-CZ 4.31Å; Y202-F228 AromaticContact CE2-CE2 3.89Å; Y202-F228 HydrophobicContact CE2-CE2 3.89Å; Y202-F228 AromaticContact CE2-CZ 3.61Å; Y202-F228 HydrophobicContact CE2-CZ 3.61Å; V206-F228 HydrophobicContact CG2-CE2 3.61Å; V206-F228 HydrophobicContact CG2-CZ 3.62Å; L209-F228 HydrophobicContact CD1-CB 3.83Å; L209-F228 HydrophobicContact CD1-CD2 3.61Å; L209-F228 HydrophobicContact CD1-CE2 4.33Å; L209-F228 HydrophobicContact CD1-CG 3.75Å; H224-F228 WeakPolarHBondContact O-CB 3.46Å; H224-F228 PolarHBondContact O-N 2.92Å; R225-F228 PolarHBondContact O-N 3.01Å; F228-E230 VanDerWaalsContact C-N 3.32Å; F228-E230 PolarHBondContact O-N 2.67Å; F228-Q231 PolarHBondContact O-N 2.98Å; F228-F232 HydrophobicContact CD1-CB 4.41Å; F228-F232 HydrophobicContact CE1-CB 4.12Å; F228-F232 HydrophobicContact CE1-CG 4.44Å; F228-F232 HydrophobicContact CZ-CB 4.5Å; F228-F232 WeakPolarHBondContact O-CB 3.38Å; F228-F232 PolarHBondContact O-N 3Å; F228-P261 HydrophobicContact CE1-CB 3.93Å; F228-F264 AromaticContact CD1-CE2 3.46Å; F228-F264 HydrophobicContact CD1-CE2 3.46Å; F228-F264 VanDerWaalsContact CD1-CE2 3.46Å; F228-F264 AromaticContact CD1-CZ 3.67Å; F228-F264 HydrophobicContact CD1-CZ 3.67Å; F228-F264 HydrophobicContact CD2-CZ 4.1Å; F228-F264 AromaticContact CE1-CE2 3.64Å; F228-F264 HydrophobicContact CE1-CE2 3.64Å; F228-F264 AromaticContact CE1-CZ 3.5Å; F228-F264 HydrophobicContact CE1-CZ 3.5Å; F228-F264 AromaticContact CE2-CZ 3.95Å; F228-F264 HydrophobicContact CE2-CZ 3.95Å; F228-F264 AromaticContact CG-CE2 3.95Å; F228-F264 HydrophobicContact CG-CE2 3.95Å; F228-F264 AromaticContact CG-CZ 3.96Å; F228-F264 HydrophobicContact CG-CZ 3.96Å; F228-F264 HydrophobicContact CZ-CE2 4.26Å; F228-F264 AromaticContact CZ-CZ 3.65Å; F228-F264 HydrophobicContact CZ-CZ 3.65Å
229Q94.9Very high93.7Very high70 Ų7051.4 Ų51.433%0.32726%0.261SS..Hα-helixtrans-60.9-42.2-179.4-172.765.912.600111.7R225 D226 R227 K233R225-Q229 WeakPolarHBondContact O-CB 3.49Å; R225-Q229 PolarHBondContact O-N 2.98Å; D226-Q229 PolarHBondContact O-N 2.99Å; R227-Q229 VanDerWaalsContact C-N 3.33Å; R227-Q229 PolarHBondContact O-N 3.32Å; Q229-K233 WeakPolarHBondContact O-CG 3.48Å; Q229-K233 PolarHBondContact O-N 3.39Å
230E95.3Very high93.6Very high107 Ų10750.6 Ų50.650%0.525%0.248SC..Hα-helixtrans-65.6-47.6176.7-168-172.2156.800111.5D226 R227 F228 K233 K234D226-E230 PolarHBondContact O-N 2.93Å; D226-E230 VanDerWaalsContact O-N 3.11Å; R227-E230 PolarHBondContact O-N 3.18Å; F228-E230 VanDerWaalsContact C-N 3.32Å; F228-E230 PolarHBondContact O-N 2.67Å; E230-K233 PolarHBondContact O-N 2.93Å; E230-K234 WeakPolarHBondContact O-CG 3.49Å; E230-K234 PolarHBondContact O-N 2.75Å; E230-K234 VanDerWaalsContact OE1-CE 3.3Å; E230-K234 WeakPolarHBondContact OE1-CE 3.3Å; E230-K234 IonicContact OE1-NZ 3.37Å; E230-K234 PolarHBondContact OE1-NZ 3.3Å
231Q95.3Very high93.3Very high9 Ų952.7 Ų52.74%0.04225%0.247CC..Hα-helixtrans-66.2-37.7179.5-68.9-172.73.600112.2F155 L158 L162 R227 F228 K234 L235F155-Q231 VanDerWaalsContact CD1-OE1 3.26Å; F155-Q231 PolarHBondContact O-NE2 2.98Å; L158-Q231 HydrophobicContact CD2-CB 4.46Å; L158-Q231 VanDerWaalsContact CD2-OE1 3.29Å; L162-Q231 HydrophobicContact CD1-CB 3.93Å; L162-Q231 HydrophobicContact CD1-CG 4.02Å; R227-Q231 WeakPolarHBondContact O-CG 3.48Å; R227-Q231 PolarHBondContact O-N 3.43Å; F228-Q231 PolarHBondContact O-N 2.98Å; Q231-K234 PolarHBondContact O-N 3.45Å; Q231-L235 VanDerWaalsContact O-CB 3.28Å; Q231-L235 WeakPolarHBondContact O-CB 3.37Å; Q231-L235 PolarHBondContact O-N 3.3Å
232F95.1Very high93Very high7 Ų752.7 Ų52.73%0.03125%0.247CC..Hα-helixtrans-61.1-46.4175.4175.1-103.2000111.9Y202 F228 K234 L235 K236 L257 P258 P261Y202-F232 AromaticContact CE2-CD2 3.63Å; Y202-F232 HydrophobicContact CE2-CD2 3.63Å; Y202-F232 HydrophobicContact CE2-CE2 4.12Å; F228-F232 HydrophobicContact CD1-CB 4.41Å; F228-F232 HydrophobicContact CE1-CB 4.12Å; F228-F232 HydrophobicContact CE1-CG 4.44Å; F228-F232 HydrophobicContact CZ-CB 4.5Å; F228-F232 WeakPolarHBondContact O-CB 3.38Å; F228-F232 PolarHBondContact O-N 3Å; F232-K234 VanDerWaalsContact C-N 3.33Å; F232-K234 PolarHBondContact O-N 3.18Å; F232-L235 PolarHBondContact O-N 3.3Å; F232-K236 HydrophobicContact CE1-CD 4.27Å; F232-K236 HydrophobicContact CZ-CD 4.3Å; F232-K236 VanDerWaalsContact O-CB 3.27Å; F232-K236 WeakPolarHBondContact O-CB 3.12Å; F232-K236 PolarHBondContact O-N 3.13Å; F232-L257 HydrophobicContact CE2-CB 4.39Å; F232-L257 HydrophobicContact CE2-CD1 4.44Å; F232-P258 WeakPolarHBondContact CZ-O 3.48Å; F232-P261 HydrophobicContact CD1-CB 3.7Å; F232-P261 HydrophobicContact CD1-CG 3.97Å; F232-P261 HydrophobicContact CE1-CB 3.78Å; F232-P261 HydrophobicContact CE1-CG 3.97Å; F232-P261 HydrophobicContact CG-CB 4.07Å; F232-P261 HydrophobicContact CZ-CB 4.2Å
233K93.8Very high92.8Very high135 Ų13549.5 Ų49.559%0.58724%0.235SC*.Hα-helixtrans-59.6-44.9177-74.7175.8-177.9179.70111.6Q229 E230 S237Q229-K233 WeakPolarHBondContact O-CG 3.48Å; Q229-K233 PolarHBondContact O-N 3.39Å; E230-K233 PolarHBondContact O-N 2.93Å; K233-S237 PolarHBondContact O-N 3.29Å
234K93.7Very high92.3Very high58 Ų5850.2 Ų50.225%0.25223%0.228SC..Hα-helixtrans-59.7-59.5175.1-69174.6-173.31710109.1L162 L166 E230 Q231 F232 K236 S237 L238L162-K234 HydrophobicContact CD1-CB 4.13Å; L162-K234 HydrophobicContact CD1-CD 4.45Å; L162-K234 HydrophobicContact CD2-CB 4.35Å; L166-K234 HydrophobicContact CD1-CD 4.42Å; E230-K234 WeakPolarHBondContact O-CG 3.49Å; E230-K234 PolarHBondContact O-N 2.75Å; E230-K234 VanDerWaalsContact OE1-CE 3.3Å; E230-K234 WeakPolarHBondContact OE1-CE 3.3Å; E230-K234 IonicContact OE1-NZ 3.37Å; E230-K234 PolarHBondContact OE1-NZ 3.3Å; Q231-K234 PolarHBondContact O-N 3.45Å; F232-K234 VanDerWaalsContact C-N 3.33Å; F232-K234 PolarHBondContact O-N 3.18Å; K234-K236 PolarHBondContact O-N 2.85Å; K234-S237 WeakPolarHBondContact O-CB 3.08Å; K234-S237 PolarHBondContact O-N 2.96Å; K234-S237 VanDerWaalsContact O-N 3.07Å; K234-L238 VanDerWaalsContact O-CG 3.28Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 3.17Å
235L94.6Very high91.7Very high1 Ų150.7 Ų50.71%0.00523%0.231CC..Hα-helixtrans-55.4-45.3-176.2-174.763000113.5L162 C198 Y202 Q231 F232 S237 L238 F239 L257L162-L235 HydrophobicContact CD2-CB 4.08Å; L162-L235 HydrophobicContact CD2-CD1 4.02Å; C198-L235 HydrophobicContact CB-CD1 3.66Å; Y202-L235 HydrophobicContact CD2-CD2 3.91Å; Y202-L235 HydrophobicContact CG-CD2 3.85Å; Q231-L235 VanDerWaalsContact O-CB 3.28Å; Q231-L235 WeakPolarHBondContact O-CB 3.37Å; Q231-L235 PolarHBondContact O-N 3.3Å; F232-L235 PolarHBondContact O-N 3.3Å; L235-S237 PolarHBondContact O-N 3.47Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-L238 VanDerWaalsContact O-N 3.1Å; L235-F239 HydrophobicContact CD1-CD1 3.73Å; L235-F239 HydrophobicContact CD1-CE1 3.39Å; L235-F239 HydrophobicContact CD1-CE2 4.45Å; L235-F239 HydrophobicContact CD1-CG 4.42Å; L235-F239 HydrophobicContact CD1-CZ 3.8Å; L235-F239 HydrophobicContact CG-CD1 4.4Å; L235-F239 HydrophobicContact CG-CE1 4.31Å; L235-F239 HydrophobicContact CG-CZ 4.44Å; L235-F239 PolarHBondContact O-N 3.35Å; L235-L257 HydrophobicContact CB-CD1 4.32Å; L235-L257 HydrophobicContact CD2-CD1 3.79Å; L235-L257 HydrophobicContact CG-CD1 3.72Å
236K92.7Very high91Very high72 Ų7250.6 Ų50.631%0.31323%0.232SC..Hα-helixtrans-57.4-48.4176.1-176.5-175.8179.9-167.80111.4F232 K234 L238 Y240 L257 E259F232-K236 HydrophobicContact CE1-CD 4.27Å; F232-K236 HydrophobicContact CZ-CD 4.3Å; F232-K236 VanDerWaalsContact O-CB 3.27Å; F232-K236 WeakPolarHBondContact O-CB 3.12Å; F232-K236 PolarHBondContact O-N 3.13Å; K234-K236 PolarHBondContact O-N 2.85Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.03Å; K236-Y240 WeakPolarHBondContact O-CB 3.39Å; K236-Y240 PolarHBondContact O-N 3.23Å; K236-Y240 VanDerWaalsContact O-N 3.1Å; K236-L257 HydrophobicContact CB-CD1 4.41Å; K236-L257 HydrophobicContact CG-CB 4.43Å; K236-E259 PolarHBondContact NZ-O 3.24Å
237S89.2Confident90.6Very high44 Ų4447.6 Ų47.631%0.30821%0.214SC..Hα-helixtrans-62.3-36.4176.3-178.50000112K233 K234 L235 R241K233-S237 PolarHBondContact O-N 3.29Å; K234-S237 WeakPolarHBondContact O-CB 3.08Å; K234-S237 PolarHBondContact O-N 2.96Å; K234-S237 VanDerWaalsContact O-N 3.07Å; L235-S237 PolarHBondContact O-N 3.47Å; S237-R241 WeakPolarHBondContact O-CB 3.29Å; S237-R241 VanDerWaalsContact O-CG 3.23Å; S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 3.15Å; S237-R241 VanDerWaalsContact O-N 3.08Å; S237-R241 PolarHBondContact OG-NE 3.45Å
238L89.9Confident90.2Very high4 Ų444.3 Ų44.32%0.02120%0.202CC..Hα-helixtrans-71.1-47.8-179.5-61.7-179.7000111.7L162 F165 L166 K234 L235 K236 Y240 R241 S242L162-L238 HydrophobicContact CD2-CD1 3.35Å; F165-L238 HydrophobicContact CB-CD1 3.86Å; F165-L238 HydrophobicContact CD1-CB 4.01Å; F165-L238 HydrophobicContact CD1-CD1 3.55Å; F165-L238 HydrophobicContact CD1-CD2 3.23Å; F165-L238 HydrophobicContact CD1-CG 3.71Å; F165-L238 HydrophobicContact CD2-CD1 4.35Å; F165-L238 HydrophobicContact CE1-CB 3.83Å; F165-L238 HydrophobicContact CE1-CD1 4.23Å; F165-L238 HydrophobicContact CE1-CD2 3.42Å; F165-L238 VanDerWaalsContact CE1-CD2 3.42Å; F165-L238 HydrophobicContact CE1-CG 3.96Å; F165-L238 HydrophobicContact CG-CB 4.46Å; F165-L238 HydrophobicContact CG-CD1 3.64Å; F165-L238 HydrophobicContact CG-CD2 4.21Å; F165-L238 HydrophobicContact CG-CG 4.27Å; F165-L238 HydrophobicContact CZ-CB 4.13Å; F165-L238 HydrophobicContact CZ-CD2 4.5Å; L166-L238 HydrophobicContact CD2-CD2 3.78Å; L166-L238 HydrophobicContact CG-CD2 4.29Å; K234-L238 VanDerWaalsContact O-CG 3.28Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 3.17Å; L235-L238 PolarHBondContact O-N 2.88Å; L235-L238 VanDerWaalsContact O-N 3.1Å; K236-L238 VanDerWaalsContact C-N 3.27Å; K236-L238 PolarHBondContact O-N 3.03Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.17Å; L238-R241 PolarHBondContact O-N 2.79Å; L238-S242 WeakPolarHBondContact O-CB 3.36Å; L238-S242 PolarHBondContact O-N 2.99Å; L238-S242 PolarHBondContact O-OG 2.94Å
239F92.1Very high89.5Confident3 Ų348.5 Ų48.51%0.01322%0.22CC..Hα-helixtrans-61.3-42.2179.1-82.718.1000111.3I195 C198 L235 S242 S243 I254 P255 L257I195-F239 HydrophobicContact CB-CE1 4.5Å; I195-F239 HydrophobicContact CG1-CE1 4.44Å; I195-F239 HydrophobicContact CG2-CE1 4.07Å; I195-F239 HydrophobicContact CG2-CZ 4.3Å; C198-F239 HydrophobicContact CB-CE1 4.02Å; C198-F239 HydrophobicContact CB-CZ 4.05Å; L235-F239 HydrophobicContact CD1-CD1 3.73Å; L235-F239 HydrophobicContact CD1-CE1 3.39Å; L235-F239 HydrophobicContact CD1-CE2 4.45Å; L235-F239 HydrophobicContact CD1-CG 4.42Å; L235-F239 HydrophobicContact CD1-CZ 3.8Å; L235-F239 HydrophobicContact CG-CD1 4.4Å; L235-F239 HydrophobicContact CG-CE1 4.31Å; L235-F239 HydrophobicContact CG-CZ 4.44Å; L235-F239 PolarHBondContact O-N 3.35Å; F239-S242 PolarHBondContact O-N 3.49Å; F239-S243 WeakPolarHBondContact O-CB 3.21Å; F239-S243 PolarHBondContact O-N 3.01Å; F239-S243 PolarHBondContact O-OG 3.35Å; F239-I254 HydrophobicContact CB-CG2 4Å; F239-I254 HydrophobicContact CD1-CG2 4.34Å; F239-I254 HydrophobicContact CD2-CG2 4.11Å; F239-I254 HydrophobicContact CG-CG2 3.91Å; F239-P255 HydrophobicContact CE2-CG 4.4Å; F239-L257 HydrophobicContact CD2-CD1 4.19Å; F239-L257 HydrophobicContact CD2-CD2 4.39Å; F239-L257 HydrophobicContact CD2-CG 3.97Å
240Y88.6Confident88.9Confident128 Ų12854.1 Ų54.150%0.50224%0.238SC..Hα-helixtrans-60.9-48.6174.7178.9-99.8000112.5K236 L238 S242 S243 N244K236-Y240 WeakPolarHBondContact O-CB 3.39Å; K236-Y240 PolarHBondContact O-N 3.23Å; K236-Y240 VanDerWaalsContact O-N 3.1Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.17Å; Y240-S242 PolarHBondContact O-N 3.33Å; Y240-S243 PolarHBondContact O-N 2.61Å; Y240-S243 PolarHBondContact O-OG 3.48Å; Y240-N244 PolarHBondContact O-N 3.3Å; Y240-N244 PolarHBondContact O-ND2 3.44Å; Y240-N244 VanDerWaalsContact O-ND2 3.1Å
241R86.3Confident88.2Confident122 Ų12252.5 Ų52.546%0.4623%0.233SC..Hα-helixtrans-63.6-42.3178.2-73.5176.7-175.6-1701.1111.6F169 S237 L238 N244F169-R241 HydrophobicContact CE1-CB 3.97Å; S237-R241 WeakPolarHBondContact O-CB 3.29Å; S237-R241 VanDerWaalsContact O-CG 3.23Å; S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 3.15Å; S237-R241 VanDerWaalsContact O-N 3.08Å; S237-R241 PolarHBondContact OG-NE 3.45Å; L238-R241 PolarHBondContact O-N 2.79Å; R241-N244 PolarHBondContact O-N 3.09Å
242S88.4Confident87.7Confident0 Ų052.3 Ų52.30%023%0.232CC..Hα-helixtrans-63.3-42.9177.1-61.40000113F165 L238 F239 Y240 N244 L245F165-S242 WeakPolarHBondContact CE2-OG 3.32Å; F165-S242 WeakPolarHBondContact CZ-OG 3.49Å; L238-S242 WeakPolarHBondContact O-CB 3.36Å; L238-S242 PolarHBondContact O-N 2.99Å; L238-S242 PolarHBondContact O-OG 2.94Å; F239-S242 PolarHBondContact O-N 3.49Å; Y240-S242 PolarHBondContact O-N 3.33Å; S242-N244 PolarHBondContact O-N 3.5Å; S242-N244 VanDerWaalsContact O-N 3.09Å; S242-L245 PolarHBondContact O-N 2.96Å
243S87Confident87.3Confident19 Ų1958.1 Ų58.113%0.13326%0.259CS..Hα-helixtrans-62-20.2-179.759.70000112.7F239 Y240 K249 Q256F239-S243 WeakPolarHBondContact O-CB 3.21Å; F239-S243 PolarHBondContact O-N 3.01Å; F239-S243 PolarHBondContact O-OG 3.35Å; Y240-S243 PolarHBondContact O-N 2.61Å; Y240-S243 PolarHBondContact O-OG 3.48Å; S243-K249 WeakPolarHBondContact O-CE 3.48Å; S243-K249 WeakPolarHBondContact O-CG 3.46Å; S243-Q256 PolarHBondContact OG-NE2 2.68Å
244N82.9Confident87Confident59 Ų5952.4 Ų52.432%0.31624%0.235SC..THydrogen-bonded Turntrans-91-12.1178.6-67.6-31.5000113.8Y240 R241 S242Y240-N244 PolarHBondContact O-N 3.3Å; Y240-N244 PolarHBondContact O-ND2 3.44Å; Y240-N244 VanDerWaalsContact O-ND2 3.1Å; R241-N244 PolarHBondContact O-N 3.09Å; S242-N244 PolarHBondContact O-N 3.5Å; S242-N244 VanDerWaalsContact O-N 3.09Å
245L83.4Confident86.4Confident26 Ų2650.9 Ų50.914%0.13623%0.231CC..  trans-84130.7178.8-67.8176.7000111.9F169 L188 S242 Y247 F248 K249F169-L245 HydrophobicContact CE1-CD1 3.95Å; F169-L245 HydrophobicContact CE2-CD1 4.3Å; F169-L245 HydrophobicContact CZ-CD1 3.44Å; F169-L245 VanDerWaalsContact CZ-CD1 3.44Å; L188-L245 HydrophobicContact CD2-CD1 4.26Å; S242-L245 PolarHBondContact O-N 2.96Å; L245-Y247 VanDerWaalsContact C-N 3.28Å; L245-Y247 PolarHBondContact O-N 2.93Å; L245-F248 HydrophobicContact CB-CD2 3.98Å; L245-F248 HydrophobicContact CD1-CD2 4.06Å; L245-F248 HydrophobicContact CD1-CE2 3.83Å; L245-F248 PolarHBondContact O-N 3.39Å; L245-K249 PolarHBondContact O-N 3.01Å; L245-K249 VanDerWaalsContact O-N 3.1Å
246Q80.1Confident85.8Confident34 Ų3456.4 Ų56.416%0.15926%0.257CS..Hα-helixtrans-57.8-39.4-178.3-71.1-58.1-45.800113.2F248 K249 R250 H387Q246-F248 VanDerWaalsContact C-N 3.31Å; Q246-F248 PolarHBondContact O-N 3.13Å; Q246-K249 PolarHBondContact O-N 3.32Å; Q246-R250 PolarHBondContact O-N 3.31Å; Q246-H387 PolarHBondContact NE2-CE1 3.3Å; Q246-H387 PolarHBondContact NE2-NE2 3.47Å
247Y85.6Confident85.5Confident28 Ų2853.8 Ų53.811%0.1125%0.246CC..Hα-helixtrans-55.5-45.8178.7-178.7-105.2000112.1Q185 L188 A189 I192 L245 L251Q185-Y247 HydrophobicContact CB-CD2 4.17Å; Q185-Y247 HydrophobicContact CB-CE2 3.89Å; Q185-Y247 HydrophobicContact CG-CD2 3.59Å; Q185-Y247 HydrophobicContact CG-CE2 3.78Å; Q185-Y247 HydrophobicContact CG-CG 4.47Å; L188-Y247 HydrophobicContact CB-CD1 3.67Å; L188-Y247 HydrophobicContact CB-CE1 3.9Å; L188-Y247 HydrophobicContact CB-CG 4.38Å; L188-Y247 HydrophobicContact CD1-CD1 4.33Å; L188-Y247 HydrophobicContact CD1-CG 4.37Å; A189-Y247 WeakPolarHBondContact CA-OH 3.33Å; A189-Y247 HydrophobicContact CB-CE1 4.37Å; A189-Y247 WeakPolarHBondContact CB-OH 3.46Å; I192-Y247 HydrophobicContact CD1-CE1 4.17Å; L245-Y247 VanDerWaalsContact C-N 3.28Å; L245-Y247 PolarHBondContact O-N 2.93Å; Y247-L251 HydrophobicContact CD1-CD1 4.41Å; Y247-L251 HydrophobicContact CD2-CD1 4.19Å; Y247-L251 HydrophobicContact CE1-CD1 3.9Å; Y247-L251 HydrophobicContact CE2-CD1 3.67Å; Y247-L251 VanDerWaalsContact CZ-CD1 3.49Å; Y247-L251 WeakPolarHBondContact O-CD1 3.41Å; Y247-L251 WeakPolarHBondContact O-CG 3.4Å
248F88.3Confident85.2Confident0 Ų054.9 Ų54.90%025%0.252CS..Hα-helixtrans-76.8-40.8179.2-61.5-53.7000112.4L188 L191 I192 I195 L245 Q246 R250 L251 I252 I254L188-F248 HydrophobicContact CB-CZ 4.08Å; L188-F248 HydrophobicContact CD2-CE2 4.15Å; L188-F248 HydrophobicContact CD2-CZ 4.04Å; L191-F248 HydrophobicContact CB-CE1 4.2Å; L191-F248 HydrophobicContact CB-CZ 3.77Å; L191-F248 HydrophobicContact CD1-CZ 4.19Å; I192-F248 HydrophobicContact CG1-CD1 3.95Å; I192-F248 HydrophobicContact CG1-CE1 3.83Å; I195-F248 HydrophobicContact CD1-CD1 4.34Å; I195-F248 HydrophobicContact CD1-CE1 4.26Å; I195-F248 HydrophobicContact CD1-CZ 4.37Å; L245-F248 HydrophobicContact CB-CD2 3.98Å; L245-F248 HydrophobicContact CD1-CD2 4.06Å; L245-F248 HydrophobicContact CD1-CE2 3.83Å; L245-F248 PolarHBondContact O-N 3.39Å; Q246-F248 VanDerWaalsContact C-N 3.31Å; Q246-F248 PolarHBondContact O-N 3.13Å; F248-R250 PolarHBondContact O-N 2.97Å; F248-L251 PolarHBondContact O-N 3.18Å; F248-I252 HydrophobicContact CB-CG1 4.11Å; F248-I252 HydrophobicContact CD1-CD1 4.17Å; F248-I252 HydrophobicContact CD1-CG1 4.41Å; F248-I252 PolarHBondContact O-N 2.91Å; F248-I254 HydrophobicContact CB-CD1 3.94Å; F248-I254 HydrophobicContact CG-CD1 4.27Å
249K83.3Confident84.8Confident92 Ų9262.1 Ų62.140%0.429%0.286SS..Hα-helixtrans-52.5-33.5179.5-76-171.8179.5-172.80113.9S243 L245 Q246 H387S243-K249 WeakPolarHBondContact O-CE 3.48Å; S243-K249 WeakPolarHBondContact O-CG 3.46Å; L245-K249 PolarHBondContact O-N 3.01Å; L245-K249 VanDerWaalsContact O-N 3.1Å; Q246-K249 PolarHBondContact O-N 3.32Å; K249-H387 PolarHBondContact NZ-NE2 2.98Å
250R80.8Confident84.4Confident188 Ų18867.9 Ų67.971%0.70932%0.317SS*.Hα-helixtrans-79.3-24.7178.8-66179.6-174.1-172.3-0.8113.7Q246 F248Q246-R250 PolarHBondContact O-N 3.31Å; F248-R250 PolarHBondContact O-N 2.97Å
251L81.8Confident84.3Confident74 Ų7463.3 Ų63.339%0.38730%0.303SS..Hα-helixtrans-109.7-33.7-168.6-64.6175.2000113.4I192 Y247 F248 P281I192-L251 HydrophobicContact CD1-CB 4.28Å; I192-L251 HydrophobicContact CD1-CD1 3.8Å; Y247-L251 HydrophobicContact CD1-CD1 4.41Å; Y247-L251 HydrophobicContact CD2-CD1 4.19Å; Y247-L251 HydrophobicContact CE1-CD1 3.9Å; Y247-L251 HydrophobicContact CE2-CD1 3.67Å; Y247-L251 VanDerWaalsContact CZ-CD1 3.49Å; Y247-L251 WeakPolarHBondContact O-CD1 3.41Å; Y247-L251 WeakPolarHBondContact O-CG 3.4Å; F248-L251 PolarHBondContact O-N 3.18Å; L251-P281 VanDerWaalsContact O-CD 3.26Å; L251-P281 WeakPolarHBondContact O-CD 3.39Å
252I85.2Confident84.4Confident5 Ų558.6 Ų58.63%0.02629%0.288CS..  trans-146.5145.6-177.359.1172.8000111.3I192 I195 F248 I254 V278 V279 I280I192-I252 HydrophobicContact CG1-CD1 4.35Å; I192-I252 HydrophobicContact CG2-CD1 4.4Å; I192-I252 HydrophobicContact CG2-CG2 4Å; I195-I252 HydrophobicContact CB-CD1 4.42Å; I195-I252 HydrophobicContact CD1-CD1 3.92Å; I195-I252 HydrophobicContact CG2-CD1 4.14Å; F248-I252 HydrophobicContact CB-CG1 4.11Å; F248-I252 HydrophobicContact CD1-CD1 4.17Å; F248-I252 HydrophobicContact CD1-CG1 4.41Å; F248-I252 PolarHBondContact O-N 2.91Å; I252-I254 HydrophobicContact CD1-CD1 3.97Å; I252-I254 HydrophobicContact CD1-CG1 3.8Å; I252-I254 HydrophobicContact CG1-CD1 4.28Å; I252-I254 HydrophobicContact CG1-CG1 3.93Å; I252-V278 HydrophobicContact CB-CG1 4.14Å; I252-V278 HydrophobicContact CD1-CG1 4.36Å; I252-V279 CarbonylContact C-O 3.16Å; I252-V279 WeakPolarHBondContact CA-O 3.46Å; I252-I280 HydrophobicContact CG2-CG1 4.05Å
253Q85.3Confident84.4Confident129 Ų12963 Ų6360%0.60331%0.311SS*.BIsolated β-bridgetrans-93.5116167.1-170.7177.88.100109.3V278 V279Q253-V278 WeakPolarHBondContact O-CA 3.28Å; Q253-V279 HydrophobicContact CB-CB 4.14Å; Q253-V279 PolarHBondContact N-O 3.17Å; Q253-V279 PolarHBondContact O-N 3.34Å
254I88.1Confident84.6Confident15 Ų1562.8 Ų62.88%0.07731%0.308CS..PPolyproline II helixtrans-96.5123-177.7-55.2176000108.9I195 F239 F248 I252I195-I254 HydrophobicContact CD1-CD1 3.79Å; I195-I254 HydrophobicContact CG2-CD1 4.49Å; I195-I254 HydrophobicContact CG2-CG1 4.28Å; I195-I254 HydrophobicContact CG2-CG2 4.38Å; F239-I254 HydrophobicContact CB-CG2 4Å; F239-I254 HydrophobicContact CD1-CG2 4.34Å; F239-I254 HydrophobicContact CD2-CG2 4.11Å; F239-I254 HydrophobicContact CG-CG2 3.91Å; F248-I254 HydrophobicContact CB-CD1 3.94Å; F248-I254 HydrophobicContact CG-CD1 4.27Å; I252-I254 HydrophobicContact CD1-CD1 3.97Å; I252-I254 HydrophobicContact CD1-CG1 3.8Å; I252-I254 HydrophobicContact CG1-CD1 4.28Å; I252-I254 HydrophobicContact CG1-CG1 3.93Å
255P80.1Confident84.7Confident26 Ų2665.3 Ų65.317%0.16932%0.321CS..PPolyproline II helixtrans-70.3147.1179.329-33.7000111.5F239 P276 V278F239-P255 HydrophobicContact CE2-CG 4.4Å; P255-P276 HydrophobicContact CB-CB 4.07Å; P255-P276 HydrophobicContact CG-CB 3.5Å; P255-V278 HydrophobicContact CG-CG2 4.27Å
256Q81.9Confident84.7Confident117 Ų11770.5 Ų70.555%0.54734%0.338SS..PPolyproline II helixtrans-81.9133.2170.6-65.4-62.3-31.100109.8S243S243-Q256 PolarHBondContact OG-NE2 2.68Å
257L86.3Confident84.3Confident17 Ų1773 Ų739%0.08937%0.365CS..PPolyproline II helixtrans-82153.2173.6-67.1-177.8000111Y202 F232 L235 K236 F239 P276Y202-L257 HydrophobicContact CD1-CD2 4.03Å; Y202-L257 HydrophobicContact CE1-CD2 3.71Å; F232-L257 HydrophobicContact CE2-CB 4.39Å; F232-L257 HydrophobicContact CE2-CD1 4.44Å; L235-L257 HydrophobicContact CB-CD1 4.32Å; L235-L257 HydrophobicContact CD2-CD1 3.79Å; L235-L257 HydrophobicContact CG-CD1 3.72Å; K236-L257 HydrophobicContact CB-CD1 4.41Å; K236-L257 HydrophobicContact CG-CB 4.43Å; F239-L257 HydrophobicContact CD2-CD1 4.19Å; F239-L257 HydrophobicContact CD2-CD2 4.39Å; F239-L257 HydrophobicContact CD2-CG 3.97Å; L257-P276 HydrophobicContact CD2-CB 4.16Å; L257-P276 HydrophobicContact CD2-CG 4.2Å
258P84.5Confident83.4Confident66 Ų6674 Ų7443%0.42938%0.376SS..PPolyproline II helixtrans-55.6157.9178.6-24.333.4000113.5F232 N260F232-P258 WeakPolarHBondContact CZ-O 3.48Å; P258-N260 PolarHBondContact O-N 3.44Å
259E80.8Confident82.4Confident157 Ų15774.3 Ų74.373%0.73438%0.379SS*.SBendtrans-63.4-44.4178.1-77.4-153.6154.500112.5K236K236-E259 PolarHBondContact NZ-O 3.24Å
260N82.8Confident81.9Confident124 Ų12473.4 Ų73.466%0.66338%0.378SS*.SBendtrans-111.9144.1-178.7-65.1-55.8000110.6P258P258-N260 PolarHBondContact O-N 3.44Å
261P87.9Confident81.3Confident32 Ų3269.5 Ų69.521%0.20838%0.379CS..  trans-67.4153.5175.720.9-21.2000111.3F228 F232F228-P261 HydrophobicContact CE1-CB 3.93Å; F232-P261 HydrophobicContact CD1-CB 3.7Å; F232-P261 HydrophobicContact CD1-CG 3.97Å; F232-P261 HydrophobicContact CE1-CB 3.78Å; F232-P261 HydrophobicContact CE1-CG 3.97Å; F232-P261 HydrophobicContact CG-CB 4.07Å; F232-P261 HydrophobicContact CZ-CB 4.2Å
262P88.7Confident80.9Confident23 Ų2372 Ų7215%0.14939%0.389CS..  trans-56.3139177.1-24.633.9000112.5V206 F210 F264V206-P262 HydrophobicContact CG1-CB 4.49Å; V206-P262 HydrophobicContact CG1-CG 4.11Å; V206-P262 HydrophobicContact CG2-CG 4.19Å; F210-P262 HydrophobicContact CE2-CB 3.91Å; F210-P262 HydrophobicContact CZ-CB 4.01Å; P262-F264 HydrophobicContact CB-CE1 4.21Å; P262-F264 HydrophobicContact CB-CZ 4.33Å; P262-F264 PolarHBondContact O-N 3.19Å
263N87.6Confident80.6Confident92 Ų9273.2 Ų73.249%0.49240%0.395SS..  trans-84.796.2174.1-174-14.2000110.6L265 R266 A269N263-L265 PolarHBondContact O-N 3.37Å; N263-L265 VanDerWaalsContact O-N 3.14Å; N263-L265 WeakPolarHBondContact OD1-CB 3.25Å; N263-L265 PolarHBondContact OD1-N 3.03Å; N263-L265 VanDerWaalsContact OD1-N 3.09Å; N263-R266 HydrophobicContact CB-CB 4.45Å; N263-R266 PolarHBondContact O-N 3.41Å; N263-A269 HydrophobicContact CB-CB 4.42Å; N263-A269 WeakPolarHBondContact O-CB 3.27Å
264F90.5Very high80.1Confident14 Ų1474 Ų746%0.06140%0.401CS..THydrogen-bonded Turntrans-64.4-15.9-178-57.2-68.5000115.2V206 L209 F210 R225 F228 P262 R266V206-F264 HydrophobicContact CG1-CE1 4.27Å; L209-F264 HydrophobicContact CB-CD1 3.68Å; L209-F264 HydrophobicContact CB-CE1 3.57Å; L209-F264 HydrophobicContact CB-CG 4.32Å; L209-F264 HydrophobicContact CB-CZ 4.14Å; L209-F264 HydrophobicContact CD1-CD1 4.37Å; L209-F264 HydrophobicContact CD1-CD2 4.39Å; L209-F264 HydrophobicContact CD1-CE1 3.75Å; L209-F264 HydrophobicContact CD1-CE2 3.77Å; L209-F264 HydrophobicContact CD1-CZ 3.4Å; L209-F264 HydrophobicContact CG-CE1 4.34Å; L209-F264 HydrophobicContact CG-CZ 4.43Å; F210-F264 HydrophobicContact CD1-CD1 4.31Å; F210-F264 AromaticContact CD2-CD1 3.85Å; F210-F264 HydrophobicContact CD2-CD1 3.85Å; F210-F264 HydrophobicContact CD2-CE1 4.04Å; F210-F264 HydrophobicContact CE1-CD1 4.22Å; F210-F264 AromaticContact CE2-CD1 3.76Å; F210-F264 HydrophobicContact CE2-CD1 3.76Å; F210-F264 AromaticContact CE2-CE1 3.9Å; F210-F264 HydrophobicContact CE2-CE1 3.9Å; F210-F264 HydrophobicContact CG-CD1 4.13Å; F210-F264 AromaticContact CZ-CD1 3.95Å; F210-F264 HydrophobicContact CZ-CD1 3.95Å; F210-F264 HydrophobicContact CZ-CE1 4.45Å; R225-F264 HydrophobicContact CG-CD2 4.19Å; F228-F264 AromaticContact CD1-CE2 3.46Å; F228-F264 HydrophobicContact CD1-CE2 3.46Å; F228-F264 VanDerWaalsContact CD1-CE2 3.46Å; F228-F264 AromaticContact CD1-CZ 3.67Å; F228-F264 HydrophobicContact CD1-CZ 3.67Å; F228-F264 HydrophobicContact CD2-CZ 4.1Å; F228-F264 AromaticContact CE1-CE2 3.64Å; F228-F264 HydrophobicContact CE1-CE2 3.64Å; F228-F264 AromaticContact CE1-CZ 3.5Å; F228-F264 HydrophobicContact CE1-CZ 3.5Å; F228-F264 AromaticContact CE2-CZ 3.95Å; F228-F264 HydrophobicContact CE2-CZ 3.95Å; F228-F264 AromaticContact CG-CE2 3.95Å; F228-F264 HydrophobicContact CG-CE2 3.95Å; F228-F264 AromaticContact CG-CZ 3.96Å; F228-F264 HydrophobicContact CG-CZ 3.96Å; F228-F264 HydrophobicContact CZ-CE2 4.26Å; F228-F264 AromaticContact CZ-CZ 3.65Å; F228-F264 HydrophobicContact CZ-CZ 3.65Å; P262-F264 HydrophobicContact CB-CE1 4.21Å; P262-F264 HydrophobicContact CB-CZ 4.33Å; P262-F264 PolarHBondContact O-N 3.19Å; F264-R266 VanDerWaalsContact C-N 3.27Å
265L85.9Confident79.5Confident112 Ų11275.4 Ų75.459%0.58641%0.413SS*.THydrogen-bonded Turntrans-81-11.1175.7-57.4-180000112.5A218 N263A218-L265 HydrophobicContact CB-CD2 3.78Å; N263-L265 PolarHBondContact O-N 3.37Å; N263-L265 VanDerWaalsContact O-N 3.14Å; N263-L265 WeakPolarHBondContact OD1-CB 3.25Å; N263-L265 PolarHBondContact OD1-N 3.03Å; N263-L265 VanDerWaalsContact OD1-N 3.09Å
266R82.4Confident79.1Confident135 Ų13574.6 Ų74.651%0.50941%0.408SS..  trans-114.7103-179.9-175.4-179.9175.6-156.6-7.2109.3N263 F264 S268 A269N263-R266 HydrophobicContact CB-CB 4.45Å; N263-R266 PolarHBondContact O-N 3.41Å; F264-R266 VanDerWaalsContact C-N 3.27Å; R266-S268 WeakPolarHBondContact CG-OG 3.4Å; R266-S268 PolarHBondContact NE-OG 3.46Å; R266-S268 PolarHBondContact NH2-OG 3.47Å; R266-S268 PolarHBondContact O-N 2.93Å; R266-S268 VanDerWaalsContact O-N 3.08Å; R266-A269 HydrophobicContact CB-CB 4.4Å; R266-A269 WeakPolarHBondContact O-CB 3.17Å; R266-A269 PolarHBondContact O-N 3.37Å
267A72.8Confident78.7Confident86 Ų8673.7 Ų73.771%0.71141%0.41SS*.G310 helixtrans-54.5-32.6-178.100000114.1A269 L270A267-A269 PolarHBondContact O-N 3.04Å; A267-L270 WeakPolarHBondContact O-CB 3.4Å; A267-L270 PolarHBondContact O-N 3.4Å
268S66.6Low77.8Confident50 Ų5073.9 Ų73.935%0.3541%0.411SS..G310 helixtrans-68.5-14.6176.172.40000114.1R266 L270 S271R266-S268 WeakPolarHBondContact CG-OG 3.4Å; R266-S268 PolarHBondContact NE-OG 3.46Å; R266-S268 PolarHBondContact NH2-OG 3.47Å; R266-S268 PolarHBondContact O-N 2.93Å; R266-S268 VanDerWaalsContact O-N 3.08Å; S268-L270 PolarHBondContact O-N 3.48Å; S268-S271 PolarHBondContact O-N 3.26Å; S268-S271 PolarHBondContact O-OG 3.04Å
269A67.1Low77.2Confident7 Ų773.9 Ų73.96%0.05841%0.41CS..G310 helixtrans-70-18.8174.800000112.1F210 N263 R266 A267 S271 E272 H273F210-A269 HydrophobicContact CE1-CB 4.22Å; F210-A269 HydrophobicContact CZ-CB 3.86Å; N263-A269 HydrophobicContact CB-CB 4.42Å; N263-A269 WeakPolarHBondContact O-CB 3.27Å; R266-A269 HydrophobicContact CB-CB 4.4Å; R266-A269 WeakPolarHBondContact O-CB 3.17Å; R266-A269 PolarHBondContact O-N 3.37Å; A267-A269 PolarHBondContact O-N 3.04Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-E272 PolarHBondContact O-N 3.46Å; A269-H273 PolarHBondContact O-N 2.92Å
270L73.7Confident76.7Confident72 Ų7271.3 Ų71.338%0.37740%0.4SS..G310 helixtrans-67.9-33.8172.6-179.862.6000111.9K207 F210 A267 S268 E272 H273K207-L270 HydrophobicContact CG-CD1 4.49Å; F210-L270 HydrophobicContact CB-CD1 4.38Å; F210-L270 HydrophobicContact CB-CD2 4.15Å; F210-L270 HydrophobicContact CD1-CB 4.07Å; F210-L270 HydrophobicContact CD2-CB 3.9Å; F210-L270 HydrophobicContact CD2-CD1 3.55Å; F210-L270 HydrophobicContact CD2-CG 4.2Å; F210-L270 HydrophobicContact CE1-CB 4.15Å; F210-L270 HydrophobicContact CE2-CB 3.99Å; F210-L270 HydrophobicContact CE2-CD1 4.04Å; F210-L270 HydrophobicContact CG-CB 3.94Å; F210-L270 HydrophobicContact CG-CD1 4.11Å; F210-L270 HydrophobicContact CG-CD2 4.37Å; F210-L270 HydrophobicContact CG-CG 4.35Å; F210-L270 HydrophobicContact CZ-CB 4.12Å; A267-L270 WeakPolarHBondContact O-CB 3.4Å; A267-L270 PolarHBondContact O-N 3.4Å; S268-L270 PolarHBondContact O-N 3.48Å; L270-E272 PolarHBondContact O-N 3.4Å; L270-H273 WeakPolarHBondContact O-CB 3.28Å; L270-H273 PolarHBondContact O-N 3.05Å
271S68.4Low74.9Confident106 Ų10668.8 Ų68.874%0.74139%0.391SS*.THydrogen-bonded Turntrans-71.2-16.1175.3450000113.7S268 A269S268-S271 PolarHBondContact O-N 3.26Å; S268-S271 PolarHBondContact O-OG 3.04Å; A269-S271 VanDerWaalsContact C-N 3.34Å
272E72.1Confident72.5Confident128 Ų12872 Ų7260%0.59842%0.42SS*.THydrogen-bonded Turntrans-88.6-13.4174.7-62.4170.7-16500112A269 L270A269-E272 PolarHBondContact O-N 3.46Å; L270-E272 PolarHBondContact O-N 3.4Å
273H79.9Confident70Confident30 Ų3078.7 Ų78.714%0.13945%0.449CS..  trans-75.3124.5-179175.968.3000111.7Y202 D203 V206 A269 L270Y202-H273 AromaticContact CE1-CE1 3.77Å; D203-H273 IonicContact OD1-CD2 2.66Å; D203-H273 IonicContact OD1-CE1 2.79Å; D203-H273 IonicContact OD1-NE2 2.75Å; D203-H273 PolarHBondContact OD1-NE2 3.48Å; V206-H273 HydrophobicContact CG1-CB 4.4Å; A269-H273 PolarHBondContact O-N 2.92Å; L270-H273 WeakPolarHBondContact O-CB 3.28Å; L270-H273 PolarHBondContact O-N 3.05Å
274I75Confident67.1Low144 Ų14479.5 Ų79.574%0.73846%0.462SS*.  trans-108.8123.5176.7-57.2174.6000108.2P276I274-P276 WeakPolarHBondContact O-CD 3.42Å
275S74.9Confident64.1Low46 Ų4684.3 Ų84.332%0.32250%0.498SS..  trans-60.7122.6176.8-179.10000110V277S275-V277 PolarHBondContact O-N 3.48Å
276P71.8Confident61.2Low9 Ų982.7 Ų82.76%0.05850%0.496CS..  trans-66.8123172.126.4-31.2000109.1S199 Y202 P255 L257 I274S199-P276 WeakPolarHBondContact OG-CB 3.27Å; S199-P276 PolarHBondContact OG-O 3Å; Y202-P276 HydrophobicContact CD1-CG 3.72Å; Y202-P276 HydrophobicContact CE1-CG 4.26Å; P255-P276 HydrophobicContact CB-CB 4.07Å; P255-P276 HydrophobicContact CG-CB 3.5Å; L257-P276 HydrophobicContact CD2-CB 4.16Å; L257-P276 HydrophobicContact CD2-CG 4.2Å; I274-P276 WeakPolarHBondContact O-CD 3.42Å
277V72.6Confident58.9Low98 Ų9882.3 Ų82.359%0.59451%0.511SS*.  trans-112.4117.1176.2-179.10000108.3S275 V279S275-V277 PolarHBondContact O-N 3.48Å; V277-V279 HydrophobicContact CG1-CG2 4.29Å
278V67.9Low56.8Low20 Ų2086.4 Ų86.412%0.12152%0.515CS..  trans-85.9118.7172.3179.20000107.8I195 L196 I252 Q253 P255I195-V278 HydrophobicContact CG2-CG1 4.36Å; I195-V278 HydrophobicContact CG2-CG2 3.89Å; L196-V278 HydrophobicContact CD2-CB 3.83Å; L196-V278 HydrophobicContact CD2-CG1 3.69Å; I252-V278 HydrophobicContact CB-CG1 4.14Å; I252-V278 HydrophobicContact CD1-CG1 4.36Å; Q253-V278 WeakPolarHBondContact O-CA 3.28Å; P255-V278 HydrophobicContact CG-CG2 4.27Å
279V71.5Confident55Low66 Ų6689.4 Ų89.440%0.454%0.536SS..BIsolated β-bridgetrans-98.3126.1-179.1-1770000109.1I252 Q253 V277I252-V279 CarbonylContact C-O 3.16Å; I252-V279 WeakPolarHBondContact CA-O 3.46Å; Q253-V279 HydrophobicContact CB-CB 4.14Å; Q253-V279 PolarHBondContact N-O 3.17Å; Q253-V279 PolarHBondContact O-N 3.34Å; V277-V279 HydrophobicContact CG1-CG2 4.29Å
280I70.7Confident53.2Low104 Ų10497.2 Ų97.253%0.53357%0.571SS.*  trans-91.8114.4168.1-52.7179.7000106L196 I252 A282L196-I280 HydrophobicContact CD1-CD1 4.39Å; I252-I280 HydrophobicContact CG2-CG1 4.05Å; I280-A282 PolarHBondContact O-N 3.29Å
281P45.3Very low51.2Low70 Ų70101.8 Ų101.846%0.45559%0.59SS.*  trans-55.1133.6176.7-23.634.4000110.4L251 E283L251-P281 VanDerWaalsContact O-CD 3.26Å; L251-P281 WeakPolarHBondContact O-CD 3.39Å; P281-E283 PolarHBondContact O-N 2.97Å
282A36.7Very low49.3Very low99 Ų99103.4 Ų103.482%0.81860%0.595SS**  trans-61.4122.7172.800000108.1I280 S284I280-A282 PolarHBondContact O-N 3.29Å; A282-S284 PolarHBondContact O-N 2.93Å
283E36.7Very low47.4Very low164 Ų164101.7 Ų101.777%0.76659%0.593SS**  trans-53.1109.7177.1-68.8179.5163.100108.8P281 S285P281-E283 PolarHBondContact O-N 2.97Å; E283-S285 PolarHBondContact O-N 3.12Å; E283-S285 VanDerWaalsContact O-N 3.07Å
284S27.2Very low45Very low109 Ų109109 Ų10976%0.76263%0.628SS**  trans-57.2113.9156.549.70000105.3A282 S286A282-S284 PolarHBondContact O-N 2.93Å; S284-S286 PolarHBondContact O-N 3.42Å
285S27.4Very low42.9Very low116 Ų116108 Ų10881%0.81163%0.629SS**  trans-38.3102177.846.10000110.6E283E283-S285 PolarHBondContact O-N 3.12Å; E283-S285 VanDerWaalsContact O-N 3.07Å
286S25.5Very low40.8Very low78 Ų78114.6 Ų114.655%0.54565%0.654SS.*  trans-62.5138.4173.4176.10000108.4S284 E288S284-S286 PolarHBondContact O-N 3.42Å; S286-E288 PolarHBondContact O-N 3.13Å
287P33.9Very low38.8Very low127 Ų127121.6 Ų121.683%0.82569%0.691SS**THydrogen-bonded Turntrans-73.539.6-179.330.9-33.8000113.7
288E27Very low36.9Very low172 Ų172124.9 Ų124.980%0.80470%0.704SS**THydrogen-bonded Turntrans-10512.1172-86.8-167.8168.100113.2S286 E290S286-E288 PolarHBondContact O-N 3.13Å; E288-E290 PolarHBondContact O-N 3.08Å
289S29.7Very low35.2Very low113 Ų113129.8 Ų129.879%0.7973%0.734SS**  trans-78.263.116758.50000110.8H291S289-H291 PolarHBondContact O-N 3.09Å
290E29Very low33.1Very low171 Ų171134.4 Ų134.480%0.79976%0.757SS**  trans-70.4117.4157.6-82.2-171.4159.700108.5E288 V292E288-E290 PolarHBondContact O-N 3.08Å; E290-V292 PolarHBondContact O-N 3.14Å
291H31.7Very low31.2Very low168 Ų168135.4 Ų135.478%0.77877%0.768SS**  trans28.194.7145-78.6-77.4000117.2S289 V293S289-H291 PolarHBondContact O-N 3.09Å; H291-V293 HydrophobicContact CB-CG2 4.17Å; H291-V293 PolarHBondContact O-N 3.13Å
292V29.1Very low30.5Very low139 Ų139139 Ų13984%0.84278%0.783SS**  trans-84.881.1146.3-174.20000106.5E290 E294E290-V292 PolarHBondContact O-N 3.14Å; V292-E294 PolarHBondContact O-N 3.13Å
293V31.8Very low29.9Very low92 Ų92140.2 Ų140.256%0.55878%0.78SS**  trans-70119155.9179.90000105.3H291 T295H291-V293 HydrophobicContact CB-CG2 4.17Å; H291-V293 PolarHBondContact O-N 3.13Å; V293-T295 VanDerWaalsContact C-N 3.3Å; V293-T295 HydrophobicContact CG1-CG2 4.14Å; V293-T295 PolarHBondContact O-N 2.96Å
294E29.1Very low29.8Very low184 Ų184137.5 Ų137.586%0.8678%0.777SS**  trans-65.194.1165.1-69.2-178.4153.500107.8V292 E296V292-E294 PolarHBondContact O-N 3.13Å; E294-E296 PolarHBondContact O-N 3.34Å
295T30.7Very low29.7Very low124 Ų124137 Ų13776%0.76177%0.773SS**  trans-86.485.9166.9390000109.1V293 D297V293-T295 VanDerWaalsContact C-N 3.3Å; V293-T295 HydrophobicContact CG1-CG2 4.14Å; V293-T295 PolarHBondContact O-N 2.96Å; T295-D297 PolarHBondContact O-N 2.89Å
296E30.7Very low29.7Very low184 Ų184139.3 Ų139.386%0.8678%0.776SS**  trans-8095.6145.5-77.1-166.9163.200107.1E294E294-E296 PolarHBondContact O-N 3.34Å
297D30Very low30.2Very low156 Ų156141.2 Ų141.283%0.83479%0.786SS**  trans-170.4105.2148.8-101.2-22.5000109.3T295T295-D297 PolarHBondContact O-N 2.89Å
298L33.8Very low30.1Very low166 Ų166139.6 Ų139.687%0.86978%0.783SS**  trans-119.7101.8160.9-81.2173.9000108.3
299V32Very low30.6Very low124 Ų124136.9 Ų136.975%0.75278%0.781SS**  trans38.1112.3135.8-159.10000116.7
300D27.5Very low30.6Very low163 Ų163136.2 Ų136.287%0.87278%0.776SS**  trans-125.8139.4151-128.5-17.3000110.9
301T31Very low30.5Very low124 Ų124136.2 Ų136.276%0.76178%0.776SS**  trans-81.4155.1-163.30.90000114.5
302D29Very low30.4Very low146 Ų146133.3 Ų133.378%0.78177%0.77SS**  trans-42.7136-176.7-76.8-47000121.3
303V25.8Very low30.6Very low125 Ų125135.8 Ų135.876%0.75877%0.769SS**  75.7147.9124.3178.70000119.9
304P34.1Very low30.5Very low106 Ų106140.5 Ų140.569%0.68878%0.783SS**  cis-137.6158.69.123.52.6000120.5
305S26Very low30.7Very low99 Ų99139.6 Ų139.669%0.69278%0.784SS**  trans64.6121.2135.469.20000126.9
306L25.4Very low30.6Very low164 Ų164139.6 Ų139.686%0.85978%0.779SS**  trans70.8161.5138.3-64.6167.2000121.3
307P36.8Very low30.7Very low118 Ų118137.8 Ų137.877%0.76678%0.775SS**  -127.2-178.1-55.836.2-17.4000113.3
308A31.1Very low30.9Very low93 Ų93139.7 Ų139.777%0.76978%0.776SS**  trans-45.3167.7-175.800000118.1
309P39.4Very low30.8Very low115 Ų115134.1 Ų134.175%0.74776%0.759SS**  -154.4158.97941.7-21.6000118.4
310S27.7Very low30.8Very low100 Ų100135 Ų13570%0.69977%0.765SS**  trans38.3131.313870.70000120.9
311E27.9Very low31.1Very low171 Ų171132.1 Ų132.180%0.79976%0.757SS**  171.9131.175.9-92.9-155.7151.400108.1
312V28.8Very low31.1Very low107 Ų107130.7 Ų130.765%0.64876%0.758SS**  109.4115.196.1172.80000114.1
313K34.4Very low31.5Very low190 Ų190128 Ų12883%0.82676%0.756SS**  trans37.1129.8141.2-58.7177179.2179.20121
314F28.3Very low31.8Very low191 Ų191130.2 Ų130.284%0.83876%0.762SS**  -159.8109.6117.3-147-97.8000110.6
315D34.6Very low32Very low166 Ų166132.1 Ų132.189%0.88877%0.766SS**  trans-13495.6167-155.621.8000105.1
316D29.1Very low32.7Very low123 Ų123131.9 Ų131.966%0.65876%0.762SS**  trans-173.1107.4161.3-132.3-6000109.9
317L32.1Very low33Very low147 Ų147134.1 Ų134.177%0.7777%0.765SS**SBendtrans-142.8-17.5155.7-168.253.4000115
318F33.1Very low33.2Very low195 Ų195135 Ų13586%0.85576%0.764SS**  trans-145.583.4174-85.8-80.2000113.4
319G32.7Very low33.3Very low49 Ų49140.2 Ų140.251%0.50577%0.769SS.*  trans-61.8157.4143.600000109.3
320T32.3Very low33.6Very low143 Ų143140.6 Ų140.688%0.87777%0.765SS**  175.916156.4-5.70000104.4
321S33.2Very low34.2Very low103 Ų103140.8 Ų140.872%0.7277%0.766SS**  cis-178.1155.224.146.80000110.4
322A31.5Very low35Very low93 Ų93140.6 Ų140.677%0.76977%0.765SS**  trans69.1121.2142.500000118.7
323A36.7Very low36Very low89 Ų89141.6 Ų141.674%0.73677%0.767SS**  cis109.2130.143.600000110.4
324I32.9Very low36.8Very low173 Ų173135.1 Ų135.189%0.88776%0.755SS**  trans155.2114.5144.1-76.2155.7000110.2
325D37.9Very low37.9Very low145 Ų145132.4 Ų132.478%0.77575%0.746SS**  trans-64.2169.5163.7-140.611.8000110.1
326P41Very low38.9Very low95 Ų95133 Ų13362%0.61774%0.736SS**  cis-150.4152.723.240-18.1000117.1
327F31.1Very low40.3Very low210 Ų210134.5 Ų134.592%0.92174%0.737SS**  trans-171.6103.6137.7-103.3-70.5000110.2
328N41.4Very low41.6Very low137 Ų137132.6 Ų132.673%0.73373%0.727SS**  trans-94.9125172.1-176.914.2000109.1
329F32.3Very low43Very low202 Ų202129.2 Ų129.289%0.88671%0.712SS**  trans-142.3101.3152.1-125.1-85.6000109.6
330N46.7Very low44.8Very low123 Ų123131 Ų13166%0.65871%0.71SS**  trans-97.9116.3172.4-16019.4000108.4
331S39.5Very low46.9Very low104 Ų104132.7 Ų132.773%0.72770%0.7SS**  trans-17389.7162.1-88.70000112.3
332Q45.5Very low49.2Very low167 Ų167132.2 Ų132.278%0.7869%0.69SS**  trans-178.279.4146.1-102.6175.718.700109.9
333N50.6Low51.5Low128 Ų128132.5 Ų132.568%0.68468%0.677SS**  trans-97.524.5-173.8-120.85.1000114.5
334G50.7Low53.7Low55 Ų55133.9 Ų133.957%0.56767%0.668SS**SBendtrans-100.5-41.6176.800000114.1
335M50.8Low56.3Low133 Ų133130.9 Ų130.966%0.65565%0.651SS**Hα-helixtrans-84.7-14.7-174.5-78.4-143-149.500115.3K339M335-K339 VanDerWaalsContact O-CG 3.27Å; M335-K339 WeakPolarHBondContact O-CG 3.5Å; M335-K339 PolarHBondContact O-N 3.42Å
336R55.9Low58.5Low179 Ų179127.9 Ų127.968%0.67563%0.634SS**Hα-helixtrans-72.4-41.8-179.2-94.1-178.1175.1-164.6-2.2112.4D338 K339 D340R336-D338 PolarHBondContact O-N 2.98Å; R336-K339 PolarHBondContact O-N 3.4Å; R336-D340 WeakPolarHBondContact O-CB 3.36Å; R336-D340 PolarHBondContact O-N 3Å; R336-D340 VanDerWaalsContact O-OD2 3.13Å
337K58.7Low60.5Low155 Ų155127.3 Ų127.367%0.67463%0.629SS**Hα-helixtrans-66.3-33.8-178.3-73.5-175.7174.8-178.40113.9R341K337-R341 WeakPolarHBondContact O-CB 3.48Å; K337-R341 WeakPolarHBondContact O-CG 3.42Å; K337-R341 PolarHBondContact O-N 2.85Å
338D58.9Low63.3Low107 Ų107125 Ų12557%0.57261%0.614SS**Hα-helixtrans-76.2-33.6175.9-68.7-21.8000111.8R336 L342R336-D338 PolarHBondContact O-N 2.98Å; D338-L342 WeakPolarHBondContact O-CB 3.48Å; D338-L342 PolarHBondContact O-N 3.23Å
339K61.8Low65.6Low124 Ų124123.3 Ų123.354%0.53960%0.602SS.*Hα-helixtrans-66.9-42.4170.7-74179.2178.7-174.40111.8M335 R336 R341 L342 I343M335-K339 VanDerWaalsContact O-CG 3.27Å; M335-K339 WeakPolarHBondContact O-CG 3.5Å; M335-K339 PolarHBondContact O-N 3.42Å; R336-K339 PolarHBondContact O-N 3.4Å; K339-R341 VanDerWaalsContact C-N 3.35Å; K339-R341 PolarHBondContact O-N 3.47Å; K339-L342 PolarHBondContact O-N 3.09Å; K339-I343 WeakPolarHBondContact O-CB 3.45Å; K339-I343 WeakPolarHBondContact O-CD1 3.48Å; K339-I343 WeakPolarHBondContact O-CG1 3.28Å; K339-I343 PolarHBondContact O-N 3.43Å
340D71.9Confident68.1Low86 Ų86118 Ų11846%0.4658%0.582SS.*Hα-helixtrans-66.1-38.4178.8-64.1-23.7000111.1R336 I343 E344R336-D340 WeakPolarHBondContact O-CB 3.36Å; R336-D340 PolarHBondContact O-N 3Å; R336-D340 VanDerWaalsContact O-OD2 3.13Å; D340-I343 PolarHBondContact O-N 2.66Å; D340-E344 PolarHBondContact O-N 3.47Å
341R75.6Confident70Confident178 Ų178116.8 Ų116.867%0.67257%0.572SS**Hα-helixtrans-65.9-41.5172.3-79.6177.9171.9-177.6-3.4113.2K337 K339 I343 E344 Q345K337-R341 WeakPolarHBondContact O-CB 3.48Å; K337-R341 WeakPolarHBondContact O-CG 3.42Å; K337-R341 PolarHBondContact O-N 2.85Å; K339-R341 VanDerWaalsContact C-N 3.35Å; K339-R341 PolarHBondContact O-N 3.47Å; R341-I343 VanDerWaalsContact C-N 3.33Å; R341-E344 PolarHBondContact O-N 3.19Å; R341-Q345 WeakPolarHBondContact O-CB 3.47Å; R341-Q345 PolarHBondContact O-N 3.35Å
342L81.6Confident72.4Confident94 Ų94114 Ų11449%0.49256%0.555SS.*Hα-helixtrans-66.1-38.6176.1-177.261.7000111.2D338 K339 Q345 L346D338-L342 WeakPolarHBondContact O-CB 3.48Å; D338-L342 PolarHBondContact O-N 3.23Å; K339-L342 PolarHBondContact O-N 3.09Å; L342-Q345 PolarHBondContact O-N 2.73Å; L342-L346 HydrophobicContact CD1-CD1 4.24Å; L342-L346 HydrophobicContact CD1-CG 4.29Å; L342-L346 HydrophobicContact CG-CD1 3.99Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.67Å
343I79.8Confident74.4Confident98 Ų98110.6 Ų110.650%0.50354%0.542SS..Hα-helixtrans-62.9-45.3173.9-70.6163.1000110.2K339 D340 R341 Q345 L346 T347K339-I343 WeakPolarHBondContact O-CB 3.45Å; K339-I343 WeakPolarHBondContact O-CD1 3.48Å; K339-I343 WeakPolarHBondContact O-CG1 3.28Å; K339-I343 PolarHBondContact O-N 3.43Å; D340-I343 PolarHBondContact O-N 2.66Å; R341-I343 VanDerWaalsContact C-N 3.33Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 2.96Å; I343-L346 PolarHBondContact O-N 3.14Å; I343-T347 VanDerWaalsContact O-CB 3.24Å; I343-T347 WeakPolarHBondContact O-CB 3.32Å; I343-T347 PolarHBondContact O-N 3.43Å; I343-T347 PolarHBondContact O-OG1 2.93Å
344E83.1Confident75.9Confident118 Ų118110.4 Ų110.455%0.55154%0.535SS*.Hα-helixtrans-63.1-37.5176.1-80.8-178.7179.300113D340 R341 R348D340-E344 PolarHBondContact O-N 3.47Å; R341-E344 PolarHBondContact O-N 3.19Å; E344-R348 PolarHBondContact O-N 2.83Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 PolarHBondContact O-NE 2.93Å
345Q86.5Confident77.8Confident111 Ų111113.4 Ų113.452%0.51953%0.534SS..Hα-helixtrans-67.5-49.7176.6-176.3175.1-16.200111.3R341 L342 I343 T347 R348 E349R341-Q345 WeakPolarHBondContact O-CB 3.47Å; R341-Q345 PolarHBondContact O-N 3.35Å; L342-Q345 PolarHBondContact O-N 2.73Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 2.96Å; Q345-T347 VanDerWaalsContact C-N 3.28Å; Q345-T347 PolarHBondContact O-N 2.97Å; Q345-R348 PolarHBondContact O-N 3.15Å; Q345-E349 PolarHBondContact O-N 2.99Å
346L84.9Confident79.6Confident82 Ų82113.4 Ų113.443%0.42953%0.533SS..Hα-helixtrans-63.9-34.1176.8-70.8171.2000111.9L342 I343 E349 I350L342-L346 HydrophobicContact CD1-CD1 4.24Å; L342-L346 HydrophobicContact CD1-CG 4.29Å; L342-L346 HydrophobicContact CG-CD1 3.99Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 WeakPolarHBondContact O-CB 3.4Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 2.67Å; I343-L346 PolarHBondContact O-N 3.14Å; L346-E349 PolarHBondContact O-N 2.98Å; L346-I350 WeakPolarHBondContact O-CB 3.36Å; L346-I350 WeakPolarHBondContact O-CD1 3.42Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.25Å
347T83.9Confident80.8Confident83 Ų83109.1 Ų109.151%0.50952%0.523SS..Hα-helixtrans-66.7-40176.3-56.50000111.1I343 Q345 Q351I343-T347 VanDerWaalsContact O-CB 3.24Å; I343-T347 WeakPolarHBondContact O-CB 3.32Å; I343-T347 PolarHBondContact O-N 3.43Å; I343-T347 PolarHBondContact O-OG1 2.93Å; Q345-T347 VanDerWaalsContact C-N 3.28Å; Q345-T347 PolarHBondContact O-N 2.97Å; T347-Q351 WeakPolarHBondContact O-CB 3.46Å; T347-Q351 PolarHBondContact O-N 3.38Å
348R88.1Confident82.2Confident160 Ų160108 Ų10860%0.60452%0.52SS*.Hα-helixtrans-66.4-39.1173.3-85.9-177.9-85.3123.3-5.1112.5E344 Q345 Q351 A352E344-R348 PolarHBondContact O-N 2.83Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 PolarHBondContact O-NE 2.93Å; Q345-R348 PolarHBondContact O-N 3.15Å; R348-Q351 PolarHBondContact O-N 3.4Å; R348-A352 PolarHBondContact O-N 3.36Å
349E89.9Confident83.5Confident102 Ų102106.4 Ų106.448%0.47752%0.517SS..Hα-helixtrans-68.7-41177.9-164165.8-160.900111.7Q345 L346 Q351 A352 L353Q345-E349 PolarHBondContact O-N 2.99Å; L346-E349 PolarHBondContact O-N 2.98Å; E349-Q351 VanDerWaalsContact C-N 3.28Å; E349-Q351 PolarHBondContact O-N 3.04Å; E349-A352 PolarHBondContact O-N 2.95Å; E349-L353 HydrophobicContact CG-CD1 4.4Å; E349-L353 WeakPolarHBondContact O-CB 3.37Å; E349-L353 VanDerWaalsContact O-CG 3.31Å; E349-L353 WeakPolarHBondContact O-CG 3.42Å; E349-L353 PolarHBondContact O-N 3.36Å
350I85.3Confident84.8Confident91 Ų91107.5 Ų107.547%0.46752%0.522SS..Hα-helixtrans-60.9-39171.1-71.6166.6000110.9L346 K354L346-I350 WeakPolarHBondContact O-CB 3.36Å; L346-I350 WeakPolarHBondContact O-CD1 3.42Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.25Å; I350-K354 HydrophobicContact CG2-CD 4.18Å; I350-K354 WeakPolarHBondContact O-CB 3.43Å; I350-K354 VanDerWaalsContact O-CG 3.22Å; I350-K354 WeakPolarHBondContact O-CG 3.44Å; I350-K354 PolarHBondContact O-N 2.84Å
351Q87.4Confident85.4Confident97 Ų97111.1 Ų111.145%0.45353%0.529SS..Hα-helixtrans-67-44.7177.5-173.261.529.800111.6T347 R348 E349 K354 E355T347-Q351 WeakPolarHBondContact O-CB 3.46Å; T347-Q351 PolarHBondContact O-N 3.38Å; R348-Q351 PolarHBondContact O-N 3.4Å; E349-Q351 VanDerWaalsContact C-N 3.28Å; E349-Q351 PolarHBondContact O-N 3.04Å; Q351-K354 WeakPolarHBondContact O-CB 3.31Å; Q351-K354 PolarHBondContact O-N 3.5Å; Q351-E355 PolarHBondContact NE2-OE1 2.91Å; Q351-E355 WeakPolarHBondContact O-CG 3.4Å; Q351-E355 PolarHBondContact O-N 3.2Å
352A88.6Confident85.9Confident45 Ų45109 Ų10937%0.37253%0.53SS..Hα-helixtrans-63.1-44.1176.300000112R348 E349 K354 E355 E356R348-A352 PolarHBondContact O-N 3.36Å; E349-A352 PolarHBondContact O-N 2.95Å; A352-K354 VanDerWaalsContact C-N 3.31Å; A352-K354 PolarHBondContact O-N 2.94Å; A352-E355 PolarHBondContact O-N 2.63Å; A352-E356 PolarHBondContact O-N 2.72Å
353L87.3Confident86.3Confident97 Ų97111 Ų11151%0.50854%0.537SS..Hα-helixtrans-64.2-34.9176.2-73.4169.8000112.2E349 L357E349-L353 HydrophobicContact CG-CD1 4.4Å; E349-L353 WeakPolarHBondContact O-CB 3.37Å; E349-L353 VanDerWaalsContact O-CG 3.31Å; E349-L353 WeakPolarHBondContact O-CG 3.42Å; E349-L353 PolarHBondContact O-N 3.36Å; L353-L357 VanDerWaalsContact O-CB 3.28Å; L353-L357 WeakPolarHBondContact O-CB 3.29Å; L353-L357 PolarHBondContact O-N 3.23Å
354K83.9Confident86.3Confident124 Ų124109 Ų10954%0.53953%0.532SS..Hα-helixtrans-65.1-40.3173.4-79.4173.5179.4-179.10111.9I350 Q351 A352 L357 E358I350-K354 HydrophobicContact CG2-CD 4.18Å; I350-K354 WeakPolarHBondContact O-CB 3.43Å; I350-K354 VanDerWaalsContact O-CG 3.22Å; I350-K354 WeakPolarHBondContact O-CG 3.44Å; I350-K354 PolarHBondContact O-N 2.84Å; Q351-K354 WeakPolarHBondContact O-CB 3.31Å; Q351-K354 PolarHBondContact O-N 3.5Å; A352-K354 VanDerWaalsContact C-N 3.31Å; A352-K354 PolarHBondContact O-N 2.94Å; K354-L357 PolarHBondContact O-N 2.84Å; K354-E358 WeakPolarHBondContact O-CB 3.49Å; K354-E358 WeakPolarHBondContact O-CG 3.41Å; K354-E358 PolarHBondContact O-N 3.25Å
355E88.7Confident86.3Confident117 Ų117105.2 Ų105.255%0.54753%0.525SS..Hα-helixtrans-67.3-40.4176.9-73.3167.1-16300111.7Q351 A352 E358 S359Q351-E355 PolarHBondContact NE2-OE1 2.91Å; Q351-E355 WeakPolarHBondContact O-CG 3.4Å; Q351-E355 PolarHBondContact O-N 3.2Å; A352-E355 PolarHBondContact O-N 2.63Å; E355-E358 PolarHBondContact O-N 2.82Å; E355-S359 WeakPolarHBondContact O-CB 3.47Å; E355-S359 PolarHBondContact O-N 3.36Å
356E88.9Confident86.3Confident134 Ų134109 Ų10963%0.62653%0.534SS*.Hα-helixtrans-64.2-39.5172.7-75.8-178.3177.300112.3A352 S359 F360A352-E356 PolarHBondContact O-N 2.72Å; E356-S359 PolarHBondContact O-N 3.34Å; E356-F360 WeakPolarHBondContact O-CB 3.28Å; E356-F360 PolarHBondContact O-N 3.44Å
357L81.9Confident86.4Confident88 Ų88110.7 Ų110.746%0.46154%0.543SS..Hα-helixtrans-70.2-37.4178.7-146.5163.1000111.7L353 K354 R361L353-L357 VanDerWaalsContact O-CB 3.28Å; L353-L357 WeakPolarHBondContact O-CB 3.29Å; L353-L357 PolarHBondContact O-N 3.23Å; K354-L357 PolarHBondContact O-N 2.84Å; L357-R361 HydrophobicContact CD2-CG 4.14Å; L357-R361 WeakPolarHBondContact O-CB 3.42Å; L357-R361 VanDerWaalsContact O-CG 3.29Å; L357-R361 WeakPolarHBondContact O-CG 3.46Å; L357-R361 PolarHBondContact O-N 3.29Å
358E87.1Confident86.3Confident133 Ų133109.4 Ų109.462%0.62154%0.537SS*.Hα-helixtrans-60.9-46.7169.2-80.2-100.8134.700111.3K354 E355 F360 R361 L362K354-E358 WeakPolarHBondContact O-CB 3.49Å; K354-E358 WeakPolarHBondContact O-CG 3.41Å; K354-E358 PolarHBondContact O-N 3.25Å; E355-E358 PolarHBondContact O-N 2.82Å; E358-F360 PolarHBondContact O-N 3.07Å; E358-R361 PolarHBondContact O-N 2.85Å; E358-L362 PolarHBondContact O-N 3.1Å
359S88.3Confident86Confident72 Ų72108.7 Ų108.750%0.50354%0.54SS..Hα-helixtrans-60.4-46.5176.8-172.20000111.7E355 E356 R361 L362 E363E355-S359 WeakPolarHBondContact O-CB 3.47Å; E355-S359 PolarHBondContact O-N 3.36Å; E356-S359 PolarHBondContact O-N 3.34Å; S359-R361 PolarHBondContact O-N 2.95Å; S359-L362 WeakPolarHBondContact O-CB 3.49Å; S359-L362 PolarHBondContact O-N 3.47Å; S359-E363 PolarHBondContact O-N 3.45Å
360F88.7Confident85.8Confident147 Ų147106.9 Ų106.965%0.64554%0.543SS*.Hα-helixtrans-63.2-39.3177.6-175.9-96.3000112.2E356 E358 E363 S364E356-F360 WeakPolarHBondContact O-CB 3.28Å; E356-F360 PolarHBondContact O-N 3.44Å; E358-F360 PolarHBondContact O-N 3.07Å; F360-E363 PolarHBondContact O-N 3.46Å; F360-S364 VanDerWaalsContact O-CB 3.25Å; F360-S364 WeakPolarHBondContact O-CB 3.31Å; F360-S364 PolarHBondContact O-N 3.22Å
361R84.4Confident85.6Confident163 Ų163107.8 Ų107.862%0.61555%0.548SS*.Hα-helixtrans-63.5-40.5174-80.7175.9176168.91.2112.2L357 E358 S359 G365L357-R361 HydrophobicContact CD2-CG 4.14Å; L357-R361 WeakPolarHBondContact O-CB 3.42Å; L357-R361 VanDerWaalsContact O-CG 3.29Å; L357-R361 WeakPolarHBondContact O-CG 3.46Å; L357-R361 PolarHBondContact O-N 3.29Å; E358-R361 PolarHBondContact O-N 2.85Å; S359-R361 PolarHBondContact O-N 2.95Å; R361-G365 PolarHBondContact O-N 2.98Å
362L86.6Confident85.3Confident133 Ų133111.7 Ų111.770%0.69656%0.559SS**Hα-helixtrans-64.9-43178.4-152.8102.2000111E358 S359 G365 R366E358-L362 PolarHBondContact O-N 3.1Å; S359-L362 WeakPolarHBondContact O-CB 3.49Å; S359-L362 PolarHBondContact O-N 3.47Å; L362-G365 PolarHBondContact O-N 3.38Å; L362-R366 PolarHBondContact O-N 3.18Å
363E89.1Confident85Confident137 Ų137111 Ų11164%0.6456%0.556SS**Hα-helixtrans-70.6-42.7180-166.6150.2-147.400112.2S359 F360 G365 R366 L367S359-E363 PolarHBondContact O-N 3.45Å; F360-E363 PolarHBondContact O-N 3.46Å; E363-G365 VanDerWaalsContact C-N 3.32Å; E363-G365 PolarHBondContact O-N 3.03Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.42Å; E363-L367 PolarHBondContact O-N 3.4Å
364S79Confident84.9Confident56 Ų56112.2 Ų112.239%0.39255%0.553SS.*Hα-helixtrans-60.2-40.9170.8-178.10000112F360 R366 L367 C368F360-S364 VanDerWaalsContact O-CB 3.25Å; F360-S364 WeakPolarHBondContact O-CB 3.31Å; F360-S364 PolarHBondContact O-N 3.22Å; S364-R366 PolarHBondContact O-N 3.17Å; S364-L367 PolarHBondContact O-N 3.36Å; S364-C368 WeakPolarHBondContact O-CB 3.38Å; S364-C368 PolarHBondContact O-N 3.26Å; S364-C368 PolarHBondContact O-SG 3Å
365G84.1Confident84.6Confident38 Ų38109.8 Ų109.839%0.39255%0.549SS..Hα-helixtrans-61.8-41.8174.500000112.6R361 L362 E363 C368 Q369R361-G365 PolarHBondContact O-N 2.98Å; L362-G365 PolarHBondContact O-N 3.38Å; E363-G365 VanDerWaalsContact C-N 3.32Å; E363-G365 PolarHBondContact O-N 3.03Å; G365-C368 PolarHBondContact O-N 3.08Å; G365-Q369 WeakPolarHBondContact O-CB 3.29Å; G365-Q369 PolarHBondContact O-N 2.91Å
366R87.3Confident84.3Confident189 Ų189109.1 Ų109.171%0.71355%0.549SS*.Hα-helixtrans-63.1-44.1175.1-127.6178.4178.8169.40.1112L362 E363 S364 Q369 A370L362-R366 PolarHBondContact O-N 3.18Å; E363-R366 WeakPolarHBondContact O-CB 3.27Å; E363-R366 PolarHBondContact O-N 3.42Å; S364-R366 PolarHBondContact O-N 3.17Å; R366-Q369 PolarHBondContact O-N 3.16Å; R366-A370 PolarHBondContact O-N 3.07Å
367L86.9Confident84Confident119 Ų119107.7 Ų107.762%0.62354%0.542SS*.Hα-helixtrans-65.5-43.4178.1-156.784.6000111.5E363 S364 Q369 A370 L371E363-L367 PolarHBondContact O-N 3.4Å; S364-L367 PolarHBondContact O-N 3.36Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 3.06Å; L367-A370 PolarHBondContact O-N 3.49Å; L367-L371 WeakPolarHBondContact O-CG 3.36Å; L367-L371 PolarHBondContact O-N 3.01Å
368C81.2Confident83.6Confident56 Ų56107.4 Ų107.438%0.37854%0.541SS..Hα-helixtrans-60.2-38.1174.3-71.40000112S364 G365 R372S364-C368 WeakPolarHBondContact O-CB 3.38Å; S364-C368 PolarHBondContact O-N 3.26Å; S364-C368 PolarHBondContact O-SG 3Å; G365-C368 PolarHBondContact O-N 3.08Å; C368-R372 WeakPolarHBondContact O-CB 3.19Å; C368-R372 VanDerWaalsContact O-CG 3.3Å; C368-R372 WeakPolarHBondContact O-CG 3.2Å; C368-R372 PolarHBondContact O-N 3.43Å
369Q82.5Confident83Confident145 Ų145106.8 Ų106.868%0.67854%0.538SS*.Hα-helixtrans-68.7-39.9177.2-164.8173.419.200111.8G365 R366 L367 G373G365-Q369 WeakPolarHBondContact O-CB 3.29Å; G365-Q369 PolarHBondContact O-N 2.91Å; R366-Q369 PolarHBondContact O-N 3.16Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 3.06Å; Q369-G373 PolarHBondContact O-N 2.94Å
370A84.1Confident82.4Confident64 Ų64106.1 Ų106.153%0.52954%0.537SS..Hα-helixtrans-64.2-44.5174.600000112.1R366 L367 G373 R374R366-A370 PolarHBondContact O-N 3.07Å; L367-A370 PolarHBondContact O-N 3.49Å; A370-G373 PolarHBondContact O-N 3.26Å; A370-R374 PolarHBondContact O-N 3.38Å
371L80.8Confident82.1Confident110 Ų110103.8 Ų103.858%0.57653%0.528SS*.Hα-helixtrans-64.9-41.9176.9-72.2171.5000112.1L367 G373 R374 V375L367-L371 WeakPolarHBondContact O-CG 3.36Å; L367-L371 PolarHBondContact O-N 3.01Å; L371-G373 VanDerWaalsContact C-N 3.29Å; L371-G373 PolarHBondContact O-N 3.44Å; L371-R374 PolarHBondContact O-N 3.06Å; L371-V375 WeakPolarHBondContact O-CG2 3.02Å; L371-V375 PolarHBondContact O-N 3.19Å
372R82.6Confident81.3Confident179 Ų179101.8 Ų101.868%0.67553%0.529SS*.Hα-helixtrans-61.2-38.7172.2-75.7179.4-163.2172.66.3112C368 R374 V375 N376C368-R372 WeakPolarHBondContact O-CB 3.19Å; C368-R372 VanDerWaalsContact O-CG 3.3Å; C368-R372 WeakPolarHBondContact O-CG 3.2Å; C368-R372 PolarHBondContact O-N 3.43Å; R372-R374 VanDerWaalsContact C-N 3.34Å; R372-V375 PolarHBondContact O-N 3.3Å; R372-N376 WeakPolarHBondContact O-CB 3.33Å; R372-N376 PolarHBondContact O-N 2.97Å; R372-N376 PolarHBondContact O-ND2 3.39Å
373G81.8Confident80.8Confident30 Ų3098.3 Ų98.331%0.30952%0.52SS..Hα-helixtrans-57.9-46.8172.500000111.9Q369 A370 L371 N376 E377Q369-G373 PolarHBondContact O-N 2.94Å; A370-G373 PolarHBondContact O-N 3.26Å; L371-G373 VanDerWaalsContact C-N 3.29Å; L371-G373 PolarHBondContact O-N 3.44Å; G373-N376 PolarHBondContact O-N 3.46Å; G373-E377 WeakPolarHBondContact O-CG 3.43Å; G373-E377 PolarHBondContact O-N 3.02Å
374R84.8Confident80.3Confident122 Ų12297.7 Ų97.746%0.4652%0.516SS..Hα-helixtrans-67-38.7179.1-170.958.5174.5154.86.8113.4A370 L371 R372 E377 L378A370-R374 PolarHBondContact O-N 3.38Å; L371-R374 PolarHBondContact O-N 3.06Å; R372-R374 VanDerWaalsContact C-N 3.34Å; R374-E377 WeakPolarHBondContact CD-OE2 3.25Å; R374-E377 IonicContact CZ-OE2 3.95Å; R374-E377 IonicContact NH1-OE2 2.95Å; R374-E377 PolarHBondContact NH1-OE2 3.31Å; R374-E377 PolarHBondContact O-N 2.8Å; R374-L378 HydrophobicContact CG-CD1 4.33Å; R374-L378 WeakPolarHBondContact O-CG 3.32Å; R374-L378 PolarHBondContact O-N 2.95Å
375V79Confident79.9Confident74 Ų74101.1 Ų101.145%0.44853%0.526SS..Hα-helixtrans-61.9-45.3173.5170.60000110.4L371 R372 E377 L378 E379L371-V375 WeakPolarHBondContact O-CG2 3.02Å; L371-V375 PolarHBondContact O-N 3.19Å; R372-V375 PolarHBondContact O-N 3.3Å; V375-E377 VanDerWaalsContact C-N 3.31Å; V375-E377 PolarHBondContact O-N 3.05Å; V375-L378 PolarHBondContact O-N 3.39Å; V375-E379 HydrophobicContact CG1-CG 4.27Å; V375-E379 WeakPolarHBondContact O-CB 3.32Å; V375-E379 VanDerWaalsContact O-CG 3.32Å; V375-E379 WeakPolarHBondContact O-CG 3.47Å; V375-E379 PolarHBondContact O-N 2.86Å
376N80.9Confident79.3Confident102 Ų102102.5 Ų102.555%0.54553%0.53SS..Hα-helixtrans-62.9-36.7177.1-67.7-18.7000112.5R372 G373 A380R372-N376 WeakPolarHBondContact O-CB 3.33Å; R372-N376 PolarHBondContact O-N 2.97Å; R372-N376 PolarHBondContact O-ND2 3.39Å; G373-N376 PolarHBondContact O-N 3.46Å; N376-A380 WeakPolarHBondContact O-CB 3.36Å; N376-A380 PolarHBondContact O-N 3.47Å
377E82.4Confident78.4Confident104 Ų10496 Ų9649%0.48651%0.508SS..Hα-helixtrans-63.6-47.9173.4-76.3174.5-177.500111.7G373 R374 V375 E379 A380 E381G373-E377 WeakPolarHBondContact O-CG 3.43Å; G373-E377 PolarHBondContact O-N 3.02Å; R374-E377 WeakPolarHBondContact CD-OE2 3.25Å; R374-E377 IonicContact CZ-OE2 3.95Å; R374-E377 IonicContact NH1-OE2 2.95Å; R374-E377 PolarHBondContact NH1-OE2 3.31Å; R374-E377 PolarHBondContact O-N 2.8Å; V375-E377 VanDerWaalsContact C-N 3.31Å; V375-E377 PolarHBondContact O-N 3.05Å; E377-E379 PolarHBondContact O-N 3.21Å; E377-A380 WeakPolarHBondContact O-CB 3.46Å; E377-A380 PolarHBondContact O-N 2.86Å; E377-A380 VanDerWaalsContact O-N 3.16Å; E377-E381 WeakPolarHBondContact O-CG 3.43Å; E377-E381 PolarHBondContact O-N 3.33Å
378L74Confident77.8Confident83 Ų8394.1 Ų94.144%0.43550%0.498SS..Hα-helixtrans-66.4-37.4179.3-70.7171.1000112.3R374 V375 A380 E381 L382R374-L378 HydrophobicContact CG-CD1 4.33Å; R374-L378 WeakPolarHBondContact O-CG 3.32Å; R374-L378 PolarHBondContact O-N 2.95Å; V375-L378 PolarHBondContact O-N 3.39Å; L378-A380 VanDerWaalsContact C-N 3.31Å; L378-E381 PolarHBondContact O-N 3.03Å; L378-L382 VanDerWaalsContact O-CB 3.32Å; L378-L382 WeakPolarHBondContact O-CB 3.29Å; L378-L382 PolarHBondContact O-N 2.93Å
379E74.2Confident77.4Confident120 Ų120101.2 Ų101.256%0.56152%0.517SS*.Hα-helixtrans-64-37.5172.6-74.9179.3171.400111.5V375 E377 A383V375-E379 HydrophobicContact CG1-CG 4.27Å; V375-E379 WeakPolarHBondContact O-CB 3.32Å; V375-E379 VanDerWaalsContact O-CG 3.32Å; V375-E379 WeakPolarHBondContact O-CG 3.47Å; V375-E379 PolarHBondContact O-N 2.86Å; E377-E379 PolarHBondContact O-N 3.21Å; E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.47Å; E379-A383 PolarHBondContact O-N 2.84Å
380A76.6Confident77.1Confident58 Ų58100.4 Ų100.448%0.47952%0.516SS..Hα-helixtrans-67.9-43.2174.300000112.1N376 E377 L378 A383 E384N376-A380 WeakPolarHBondContact O-CB 3.36Å; N376-A380 PolarHBondContact O-N 3.47Å; E377-A380 WeakPolarHBondContact O-CB 3.46Å; E377-A380 PolarHBondContact O-N 2.86Å; E377-A380 VanDerWaalsContact O-N 3.16Å; L378-A380 VanDerWaalsContact C-N 3.31Å; A380-A383 PolarHBondContact O-N 3.43Å; A380-E384 WeakPolarHBondContact O-CB 3.48Å; A380-E384 PolarHBondContact O-N 2.98Å
381E81.8Confident76Confident97 Ų9799.3 Ų99.345%0.45350%0.5SS..Hα-helixtrans-63.2-42.3175.5-73.4175.1-16800111.6E377 L378 E384 Q385E377-E381 WeakPolarHBondContact O-CG 3.43Å; E377-E381 PolarHBondContact O-N 3.33Å; L378-E381 PolarHBondContact O-N 3.03Å; E381-E384 PolarHBondContact O-N 3.37Å; E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.19Å
382L67.7Low75.3Confident121 Ų12196.6 Ų96.663%0.63449%0.494SS*.Hα-helixtrans-65.3-39.8176.4-174.968.9000112L378 E384 S386L378-L382 VanDerWaalsContact O-CB 3.32Å; L378-L382 WeakPolarHBondContact O-CB 3.29Å; L378-L382 PolarHBondContact O-N 2.93Å; L382-E384 VanDerWaalsContact C-N 3.34Å; L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.06Å; L382-S386 PolarHBondContact O-OG 3.1Å
383A75.4Confident74.8Confident61 Ų6190.4 Ų90.450%0.50448%0.481SS..Hα-helixtrans-65.6-38.6174.300000111.6E379 A380 H387E379-A383 VanDerWaalsContact O-CB 3.3Å; E379-A383 WeakPolarHBondContact O-CB 3.47Å; E379-A383 PolarHBondContact O-N 2.84Å; A380-A383 PolarHBondContact O-N 3.43Å; A383-H387 VanDerWaalsContact O-CB 3.28Å; A383-H387 WeakPolarHBondContact O-CB 3.44Å; A383-H387 PolarHBondContact O-N 2.83Å
384E79.1Confident74.7Confident123 Ų12390.7 Ų90.758%0.57548%0.484SS*.Hα-helixtrans-64.9-46.7175.2-175.5165.9-161.900111.8A380 E381 L382 S386 H387 L388A380-E384 WeakPolarHBondContact O-CB 3.48Å; A380-E384 PolarHBondContact O-N 2.98Å; E381-E384 PolarHBondContact O-N 3.37Å; L382-E384 VanDerWaalsContact C-N 3.34Å; E384-S386 PolarHBondContact O-N 3.08Å; E384-H387 PolarHBondContact O-N 3.35Å; E384-L388 HydrophobicContact CG-CD1 4.32Å; E384-L388 WeakPolarHBondContact O-CG 3.36Å; E384-L388 PolarHBondContact O-N 3.38Å
385Q70.5Confident74.4Confident128 Ų12889.3 Ų89.360%0.59848%0.483SS*.Hα-helixtrans-62.2-43.4175.8-73.7-64.8-18.800112.4E381 H387 L388 R389E381-Q385 WeakPolarHBondContact O-CG 3.46Å; E381-Q385 PolarHBondContact O-N 3.19Å; Q385-H387 VanDerWaalsContact C-N 3.27Å; Q385-H387 PolarHBondContact O-N 3.07Å; Q385-L388 PolarHBondContact O-N 2.89Å; Q385-R389 PolarHBondContact O-N 3.06Å
386S71.4Confident73.6Confident68 Ų6888.9 Ų88.948%0.47648%0.483SS..Hα-helixtrans-61.3-38.1175.7-63.70000111.9L382 E384 L390L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.06Å; L382-S386 PolarHBondContact O-OG 3.1Å; E384-S386 PolarHBondContact O-N 3.08Å; S386-L390 PolarHBondContact O-N 3.4Å; S386-L390 VanDerWaalsContact O-N 3.14Å
387H68.6Low73.6Confident51 Ų5190.8 Ų90.824%0.23649%0.489CS..Hα-helixtrans-71.3-41.3177.1179.3-83.6000112.5Q246 K249 A383 E384 Q385 R389 L390 Q391Q246-H387 PolarHBondContact NE2-CE1 3.3Å; Q246-H387 PolarHBondContact NE2-NE2 3.47Å; K249-H387 PolarHBondContact NZ-NE2 2.98Å; A383-H387 VanDerWaalsContact O-CB 3.28Å; A383-H387 WeakPolarHBondContact O-CB 3.44Å; A383-H387 PolarHBondContact O-N 2.83Å; E384-H387 PolarHBondContact O-N 3.35Å; Q385-H387 VanDerWaalsContact C-N 3.27Å; Q385-H387 PolarHBondContact O-N 3.07Å; H387-R389 VanDerWaalsContact C-N 3.31Å; H387-R389 PolarHBondContact O-N 3.26Å; H387-L390 PolarHBondContact O-N 3.14Å; H387-Q391 WeakPolarHBondContact O-CB 3.35Å; H387-Q391 PolarHBondContact O-N 3.45Å
388L73.6Confident73.5Confident80 Ų8091.9 Ų91.942%0.41949%0.492SS..Hα-helixtrans-60.6-40.6174.2-74.5169.5000111.4E384 Q385 Q391 A392E384-L388 HydrophobicContact CG-CD1 4.32Å; E384-L388 WeakPolarHBondContact O-CG 3.36Å; E384-L388 PolarHBondContact O-N 3.38Å; Q385-L388 PolarHBondContact O-N 2.89Å; L388-Q391 WeakPolarHBondContact O-CB 3.47Å; L388-Q391 PolarHBondContact O-N 3.31Å; L388-A392 PolarHBondContact O-N 3.42Å
389R72.5Confident73.7Confident205 Ų20593.1 Ų93.177%0.77450%0.498SS*.Hα-helixtrans-63.5-44175.6-162.4-17579.4149.33.3112.5Q385 H387 Q391 A392 A393Q385-R389 PolarHBondContact O-N 3.06Å; H387-R389 VanDerWaalsContact C-N 3.31Å; H387-R389 PolarHBondContact O-N 3.26Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; R389-A392 PolarHBondContact O-N 3.29Å; R389-A393 PolarHBondContact O-N 2.96Å; R389-A393 VanDerWaalsContact O-N 3.11Å
390L76.9Confident74Confident128 Ų12894.1 Ų94.167%0.6750%0.501SS*.Hα-helixtrans-67.1-34.8177.7-165.373.3000111.7S386 H387 A393 G394S386-L390 PolarHBondContact O-N 3.4Å; S386-L390 VanDerWaalsContact O-N 3.14Å; H387-L390 PolarHBondContact O-N 3.14Å; L390-A393 PolarHBondContact O-N 3.42Å; L390-G394 PolarHBondContact O-N 2.88Å
391Q60.6Low74.3Confident42 Ų4293.9 Ų93.920%0.19650%0.499CS..Hα-helixtrans-64.3-48.9173.7172.6178.9-10.300111.9R176 H387 L388 R389 A393 G394 E395R176-Q391 VanDerWaalsContact CZ-NE2 3.26Å; H387-Q391 WeakPolarHBondContact O-CB 3.35Å; H387-Q391 PolarHBondContact O-N 3.45Å; L388-Q391 WeakPolarHBondContact O-CB 3.47Å; L388-Q391 PolarHBondContact O-N 3.31Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; Q391-A393 PolarHBondContact O-N 2.98Å; Q391-G394 PolarHBondContact O-N 2.88Å; Q391-G394 VanDerWaalsContact O-N 3.16Å; Q391-E395 HydrophobicContact CG-CG 4.48Å; Q391-E395 VanDerWaalsContact CG-OE1 3.26Å; Q391-E395 WeakPolarHBondContact CG-OE1 3.21Å; Q391-E395 PolarHBondContact NE2-OE1 3.48Å; Q391-E395 WeakPolarHBondContact O-CG 3.28Å; Q391-E395 PolarHBondContact O-N 3.36Å
392A67.4Low74.3Confident52 Ų5293.7 Ų93.743%0.4350%0.498SS..Hα-helixtrans-60.7-34.6177.900000112L388 R389 S396L388-A392 PolarHBondContact O-N 3.42Å; R389-A392 PolarHBondContact O-N 3.29Å; A392-S396 WeakPolarHBondContact O-CB 3.48Å; A392-S396 PolarHBondContact O-N 2.84Å; A392-S396 PolarHBondContact O-OG 3.39Å
393A72.4Confident74.8Confident50 Ų5092 Ų9241%0.41349%0.489SS..Hα-helixtrans-65.5-46.2173.500000112.3R389 L390 Q391 S396 E397R389-A393 PolarHBondContact O-N 2.96Å; R389-A393 VanDerWaalsContact O-N 3.11Å; L390-A393 PolarHBondContact O-N 3.42Å; Q391-A393 PolarHBondContact O-N 2.98Å; A393-S396 WeakPolarHBondContact O-CB 3.4Å; A393-S396 PolarHBondContact O-N 3.12Å; A393-E397 PolarHBondContact O-N 2.96Å
394G79.9Confident75.2Confident36 Ų3692.5 Ų92.537%0.37148%0.483SS..Hα-helixtrans-65.9-37.6177.100000113.6L390 Q391 S396 E397 F398L390-G394 PolarHBondContact O-N 2.88Å; Q391-G394 PolarHBondContact O-N 2.88Å; Q391-G394 VanDerWaalsContact O-N 3.16Å; G394-S396 VanDerWaalsContact C-N 3.34Å; G394-E397 PolarHBondContact O-N 3.3Å; G394-F398 WeakPolarHBondContact O-CB 3.31Å; G394-F398 PolarHBondContact O-N 2.81Å
395E77.2Confident75.3Confident92 Ų9291.1 Ų91.143%0.4348%0.48SS..Hα-helixtrans-65.6-38173.3-73.1171.6-167.600111.4Q391 F398 L399Q391-E395 HydrophobicContact CG-CG 4.48Å; Q391-E395 VanDerWaalsContact CG-OE1 3.26Å; Q391-E395 WeakPolarHBondContact CG-OE1 3.21Å; Q391-E395 PolarHBondContact NE2-OE1 3.48Å; Q391-E395 WeakPolarHBondContact O-CG 3.28Å; Q391-E395 PolarHBondContact O-N 3.36Å; E395-F398 PolarHBondContact O-N 3.14Å; E395-L399 WeakPolarHBondContact O-CB 3.31Å; E395-L399 VanDerWaalsContact O-CG 3.28Å; E395-L399 WeakPolarHBondContact O-CG 3.49Å; E395-L399 PolarHBondContact O-N 3.32Å
396S61.8Low75.8Confident65 Ų6590.3 Ų90.346%0.45548%0.479SS..Hα-helixtrans-65.9-36.8174.6-62.70000112.8A392 A393 G394 K400A392-S396 WeakPolarHBondContact O-CB 3.48Å; A392-S396 PolarHBondContact O-N 2.84Å; A392-S396 PolarHBondContact O-OG 3.39Å; A393-S396 WeakPolarHBondContact O-CB 3.4Å; A393-S396 PolarHBondContact O-N 3.12Å; G394-S396 VanDerWaalsContact C-N 3.34Å; S396-K400 WeakPolarHBondContact O-CB 3.46Å; S396-K400 VanDerWaalsContact O-CG 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.23Å; S396-K400 PolarHBondContact O-N 3.5Å; S396-K400 VanDerWaalsContact O-N 3.12Å
397E81.6Confident76.5Confident143 Ų14393.7 Ų93.767%0.66848%0.481SS*.Hα-helixtrans-69.4-41.1174.2-76.5-179.1171.600112.1A393 G394 K400 A401A393-E397 PolarHBondContact O-N 2.96Å; G394-E397 PolarHBondContact O-N 3.3Å; E397-K400 PolarHBondContact O-N 2.66Å; E397-A401 PolarHBondContact O-N 3.36Å
398F81.2Confident77.3Confident127 Ų12798.5 Ų98.556%0.55750%0.497SS*.Hα-helixtrans-62.5-48.3175.7179.7-94000111.8G394 E395 K400 A401 E402G394-F398 WeakPolarHBondContact O-CB 3.31Å; G394-F398 PolarHBondContact O-N 2.81Å; E395-F398 PolarHBondContact O-N 3.14Å; F398-K400 VanDerWaalsContact C-N 3.26Å; F398-K400 PolarHBondContact O-N 3.29Å; F398-A401 PolarHBondContact O-N 2.95Å; F398-A401 VanDerWaalsContact O-N 3.12Å; F398-E402 WeakPolarHBondContact CE1-OE2 3.32Å; F398-E402 PolarHBondContact O-N 3.28Å
399L76.8Confident77.7Confident108 Ų10897.1 Ų97.157%0.56550%0.498SS*.Hα-helixtrans-62.2-33.9177.5-73.2169.7000111.9E395 L403E395-L399 WeakPolarHBondContact O-CB 3.31Å; E395-L399 VanDerWaalsContact O-CG 3.28Å; E395-L399 WeakPolarHBondContact O-CG 3.49Å; E395-L399 PolarHBondContact O-N 3.32Å; L399-L403 VanDerWaalsContact O-CB 3.27Å; L399-L403 WeakPolarHBondContact O-CB 3.22Å; L399-L403 PolarHBondContact O-N 3.23Å
400K81.6Confident78.2Confident142 Ų14295.3 Ų95.362%0.61749%0.491SS*.Hα-helixtrans-65.5-44.4172.5-80.5175.5-177.6176.40112.2S396 E397 F398 L403 D404S396-K400 WeakPolarHBondContact O-CB 3.46Å; S396-K400 VanDerWaalsContact O-CG 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.23Å; S396-K400 PolarHBondContact O-N 3.5Å; S396-K400 VanDerWaalsContact O-N 3.12Å; E397-K400 PolarHBondContact O-N 2.66Å; F398-K400 VanDerWaalsContact C-N 3.26Å; F398-K400 PolarHBondContact O-N 3.29Å; K400-L403 PolarHBondContact O-N 3.1Å; K400-D404 PolarHBondContact O-N 3.23Å
401A81.9Confident78.5Confident52 Ų5294.3 Ų94.343%0.4348%0.483SS..Hα-helixtrans-63.4-43.2177.400000111.8E397 F398 L403 D404 D405E397-A401 PolarHBondContact O-N 3.36Å; F398-A401 PolarHBondContact O-N 2.95Å; F398-A401 VanDerWaalsContact O-N 3.12Å; A401-L403 PolarHBondContact O-N 3.21Å; A401-D404 PolarHBondContact O-N 3.33Å; A401-D405 PolarHBondContact O-N 3.15Å
402E81.4Confident79.8Confident93 Ų9396.2 Ų96.244%0.43549%0.494SS..Hα-helixtrans-64.6-39176.5-170.1172.5-165.700112F398 D404 D405 L406F398-E402 WeakPolarHBondContact CE1-OE2 3.32Å; F398-E402 PolarHBondContact O-N 3.28Å; E402-D404 VanDerWaalsContact C-N 3.34Å; E402-D404 PolarHBondContact O-N 3.48Å; E402-D405 PolarHBondContact O-N 3.23Å; E402-L406 HydrophobicContact CG-CD1 4.46Å; E402-L406 WeakPolarHBondContact O-CB 3.19Å; E402-L406 WeakPolarHBondContact O-CG 3.45Å; E402-L406 PolarHBondContact O-N 2.98Å
403L79.8Confident80.3Confident86 Ų8697.3 Ų97.345%0.4550%0.495SS..Hα-helixtrans-63.2-39.9174.5-163.296000112L399 K400 A401 L406 R407L399-L403 VanDerWaalsContact O-CB 3.27Å; L399-L403 WeakPolarHBondContact O-CB 3.22Å; L399-L403 PolarHBondContact O-N 3.23Å; K400-L403 PolarHBondContact O-N 3.1Å; A401-L403 PolarHBondContact O-N 3.21Å; L403-L406 PolarHBondContact O-N 2.88Å; L403-R407 VanDerWaalsContact CD2-CZ 3.48Å; L403-R407 WeakPolarHBondContact O-CB 3.41Å; L403-R407 VanDerWaalsContact O-CG 3.27Å; L403-R407 WeakPolarHBondContact O-CG 3.43Å; L403-R407 PolarHBondContact O-N 3.41Å
404D82.8Confident80.8Confident72 Ų7297.8 Ų97.839%0.38549%0.489SS..Hα-helixtrans-70.9-35.2178.4-77.1-17.6000112.3K400 A401 E402 R407 R408K400-D404 PolarHBondContact O-N 3.23Å; A401-D404 PolarHBondContact O-N 3.33Å; E402-D404 VanDerWaalsContact C-N 3.34Å; E402-D404 PolarHBondContact O-N 3.48Å; D404-R407 WeakPolarHBondContact O-CB 3.3Å; D404-R407 PolarHBondContact O-N 3.49Å; D404-R407 IonicContact OD1-NH1 3.82Å; D404-R407 PolarHBondContact OD1-NH1 3.07Å; D404-R408 WeakPolarHBondContact O-CG 3.39Å; D404-R408 PolarHBondContact O-N 3.22Å
405D82.1Confident81.1Confident93 Ų93101.8 Ų101.850%0.49750%0.496SS..Hα-helixtrans-69.2-39.6172.9-75.7-18.1000112.1A401 E402 R407 R408 A409A401-D405 PolarHBondContact O-N 3.15Å; E402-D405 PolarHBondContact O-N 3.23Å; D405-R407 VanDerWaalsContact C-N 3.31Å; D405-R407 PolarHBondContact O-N 3.39Å; D405-R408 PolarHBondContact O-N 3.1Å; D405-R408 IonicContact OD1-NH1 2.74Å; D405-R408 PolarHBondContact OD1-NH1 2.81Å; D405-A409 PolarHBondContact O-N 3.3Å
406L80.2Confident81.4Confident112 Ų112103.8 Ų103.859%0.58651%0.506SS*.Hα-helixtrans-64.1-35.9172.1-73.9171.6000112.2E402 L403 A409 R410E402-L406 HydrophobicContact CG-CD1 4.46Å; E402-L406 WeakPolarHBondContact O-CB 3.19Å; E402-L406 WeakPolarHBondContact O-CG 3.45Å; E402-L406 PolarHBondContact O-N 2.98Å; L403-L406 PolarHBondContact O-N 2.88Å; L406-A409 PolarHBondContact O-N 2.79Å; L406-R410 WeakPolarHBondContact O-CB 3.41Å; L406-R410 PolarHBondContact O-N 3.39Å
407R85.4Confident82.4Confident138 Ų138106.8 Ų106.852%0.52151%0.513SS..Hα-helixtrans-64-45.5173.3-79.4169.3174.3170.6-4.8111.7L403 D404 D405 R410 E411L403-R407 VanDerWaalsContact CD2-CZ 3.48Å; L403-R407 WeakPolarHBondContact O-CB 3.41Å; L403-R407 VanDerWaalsContact O-CG 3.27Å; L403-R407 WeakPolarHBondContact O-CG 3.43Å; L403-R407 PolarHBondContact O-N 3.41Å; D404-R407 WeakPolarHBondContact O-CB 3.3Å; D404-R407 PolarHBondContact O-N 3.49Å; D404-R407 IonicContact OD1-NH1 3.82Å; D404-R407 PolarHBondContact OD1-NH1 3.07Å; D405-R407 VanDerWaalsContact C-N 3.31Å; D405-R407 PolarHBondContact O-N 3.39Å; R407-R410 PolarHBondContact O-N 3.43Å; R407-E411 WeakPolarHBondContact O-CG 3.48Å; R407-E411 PolarHBondContact O-N 2.65Å
408R86.3Confident82.5Confident153 Ų153107.9 Ų107.958%0.57751%0.511SS*.Hα-helixtrans-59.9-46.3175.2-72.3175.1-175.5146.4-1.5111.6D404 D405 R410 E411 D412D404-R408 WeakPolarHBondContact O-CG 3.39Å; D404-R408 PolarHBondContact O-N 3.22Å; D405-R408 PolarHBondContact O-N 3.1Å; D405-R408 IonicContact OD1-NH1 2.74Å; D405-R408 PolarHBondContact OD1-NH1 2.81Å; R408-R410 VanDerWaalsContact C-N 3.31Å; R408-R410 PolarHBondContact O-N 2.92Å; R408-E411 PolarHBondContact O-N 3.26Å; R408-D412 PolarHBondContact O-N 2.71Å
409A81.8Confident82.6Confident51 Ų51104.6 Ų104.642%0.42150%0.504SS..Hα-helixtrans-61.1-40.2176.700000112.1D405 L406 D412 T413D405-A409 PolarHBondContact O-N 3.3Å; L406-A409 PolarHBondContact O-N 2.79Å; A409-D412 PolarHBondContact O-N 2.9Å; A409-T413 WeakPolarHBondContact O-CB 3.23Å; A409-T413 PolarHBondContact O-N 3.42Å; A409-T413 PolarHBondContact O-OG1 3.19Å
410R82.3Confident82.8Confident166 Ų166104.2 Ų104.263%0.62650%0.502SS*.Hα-helixtrans-64.4-44.1174.6-177.8178.5176.2-101.1-14.1112.1L406 R407 R408 D412 T413 E414L406-R410 WeakPolarHBondContact O-CB 3.41Å; L406-R410 PolarHBondContact O-N 3.39Å; R407-R410 PolarHBondContact O-N 3.43Å; R408-R410 VanDerWaalsContact C-N 3.31Å; R408-R410 PolarHBondContact O-N 2.92Å; R410-D412 VanDerWaalsContact C-N 3.33Å; R410-D412 PolarHBondContact O-N 3.49Å; R410-T413 PolarHBondContact O-N 2.7Å; R410-E414 IonicContact CZ-OE1 2.64Å; R410-E414 IonicContact NE-OE1 3.8Å; R410-E414 IonicContact NH1-OE1 3.64Å; R410-E414 IonicContact NH2-OE1 3.76Å; R410-E414 PolarHBondContact NH2-OE1 3.47Å; R410-E414 WeakPolarHBondContact O-CB 3.48Å; R410-E414 WeakPolarHBondContact O-CG 3.17Å; R410-E414 PolarHBondContact O-N 3.43Å
411E85.1Confident83Confident108 Ų108101 Ų10151%0.50549%0.493SS..Hα-helixtrans-61.9-40.6176.5-76177.1-175.400112.2R407 R408 E414 K415R407-E411 WeakPolarHBondContact O-CG 3.48Å; R407-E411 PolarHBondContact O-N 2.65Å; R408-E411 PolarHBondContact O-N 3.26Å; E411-E414 PolarHBondContact O-N 2.91Å; E411-K415 VanDerWaalsContact O-CG 3.3Å; E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 2.78Å
412D86.1Confident83.2Confident81 Ų81103.6 Ų103.643%0.43350%0.497SS..Hα-helixtrans-70.1-39.1177.6-69.8-21.1000111.5R408 A409 R410 E414 K415 E416R408-D412 PolarHBondContact O-N 2.71Å; A409-D412 PolarHBondContact O-N 2.9Å; R410-D412 VanDerWaalsContact C-N 3.33Å; R410-D412 PolarHBondContact O-N 3.49Å; D412-E414 PolarHBondContact O-N 2.99Å; D412-K415 WeakPolarHBondContact O-CB 3.38Å; D412-K415 PolarHBondContact O-N 3.25Å; D412-K415 IonicContact OD1-NZ 3.13Å; D412-K415 PolarHBondContact OD1-NZ 3.41Å; D412-E416 WeakPolarHBondContact O-CG 3.4Å; D412-E416 PolarHBondContact O-N 2.92Å
413T79.1Confident83.5Confident75 Ų75104.4 Ų104.446%0.4650%0.503SS..Hα-helixtrans-63.1-41172.5-48.80000111.3A409 R410 E416 Q417A409-T413 WeakPolarHBondContact O-CB 3.23Å; A409-T413 PolarHBondContact O-N 3.42Å; A409-T413 PolarHBondContact O-OG1 3.19Å; R410-T413 PolarHBondContact O-N 2.7Å; T413-E416 PolarHBondContact O-N 2.87Å; T413-Q417 WeakPolarHBondContact O-CB 3.23Å; T413-Q417 PolarHBondContact O-N 3.44Å
414E82.4Confident83.6Confident61 Ų61105.7 Ų105.729%0.28551%0.507SS..Hα-helixtrans-64.7-38.7175.2-78.9-173.3-170.900112.2R410 E411 D412 Q417 R418R410-E414 IonicContact CZ-OE1 2.64Å; R410-E414 IonicContact NE-OE1 3.8Å; R410-E414 IonicContact NH1-OE1 3.64Å; R410-E414 IonicContact NH2-OE1 3.76Å; R410-E414 PolarHBondContact NH2-OE1 3.47Å; R410-E414 WeakPolarHBondContact O-CB 3.48Å; R410-E414 WeakPolarHBondContact O-CG 3.17Å; R410-E414 PolarHBondContact O-N 3.43Å; E411-E414 PolarHBondContact O-N 2.91Å; D412-E414 PolarHBondContact O-N 2.99Å; E414-Q417 PolarHBondContact O-N 2.98Å; E414-R418 WeakPolarHBondContact O-CB 3.27Å; E414-R418 VanDerWaalsContact O-CG 3.28Å; E414-R418 WeakPolarHBondContact O-CG 3.48Å; E414-R418 PolarHBondContact O-N 3.3Å; E414-R418 IonicContact OE2-NH2 2.7Å; E414-R418 PolarHBondContact OE2-NH2 3.04Å
415K86.1Confident83.9Confident119 Ų119111.4 Ų111.452%0.51752%0.523SS..Hα-helixtrans-63.3-45.7173.9-73.6169.6-161.9153.40111.2E411 D412 Q417 R418 S419E411-K415 VanDerWaalsContact O-CG 3.3Å; E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 2.78Å; D412-K415 WeakPolarHBondContact O-CB 3.38Å; D412-K415 PolarHBondContact O-N 3.25Å; D412-K415 IonicContact OD1-NZ 3.13Å; D412-K415 PolarHBondContact OD1-NZ 3.41Å; K415-Q417 VanDerWaalsContact C-N 3.33Å; K415-Q417 PolarHBondContact O-N 2.77Å; K415-R418 PolarHBondContact O-N 3.03Å; K415-S419 PolarHBondContact O-N 3.39Å
416E84.4Confident84.3Confident134 Ų134113 Ų11363%0.62653%0.525SS*.Hα-helixtrans-61.4-42.9176.6-74.9-176.8171.500111.2D412 T413 R418 S419 L420D412-E416 WeakPolarHBondContact O-CG 3.4Å; D412-E416 PolarHBondContact O-N 2.92Å; T413-E416 PolarHBondContact O-N 2.87Å; E416-R418 PolarHBondContact O-N 2.93Å; E416-S419 WeakPolarHBondContact O-CB 3.38Å; E416-S419 PolarHBondContact O-N 3.33Å; E416-S419 VanDerWaalsContact O-N 3.14Å; E416-S419 PolarHBondContact O-OG 2.87Å; E416-L420 PolarHBondContact O-N 3.48Å
417Q81.4Confident84.6Confident129 Ų129110.4 Ų110.460%0.60352%0.521SS*.Hα-helixtrans-67.9-35178.5-166.3142.20.800113.1T413 E414 K415 S419 L420 T421T413-Q417 WeakPolarHBondContact O-CB 3.23Å; T413-Q417 PolarHBondContact O-N 3.44Å; E414-Q417 PolarHBondContact O-N 2.98Å; K415-Q417 VanDerWaalsContact C-N 3.33Å; K415-Q417 PolarHBondContact O-N 2.77Å; Q417-S419 VanDerWaalsContact C-N 3.35Å; Q417-L420 PolarHBondContact O-N 3Å; Q417-T421 WeakPolarHBondContact O-CG2 3.43Å; Q417-T421 PolarHBondContact O-N 3.49Å; Q417-T421 PolarHBondContact O-OG1 3.35Å
418R84.3Confident84.6Confident166 Ų166109.7 Ų109.763%0.62652%0.523SS*.Hα-helixtrans-63.7-39.7169.6-74.1176.1-163.7174.210.6111.9E414 K415 E416 T421 E422E414-R418 WeakPolarHBondContact O-CB 3.27Å; E414-R418 VanDerWaalsContact O-CG 3.28Å; E414-R418 WeakPolarHBondContact O-CG 3.48Å; E414-R418 PolarHBondContact O-N 3.3Å; E414-R418 IonicContact OE2-NH2 2.7Å; E414-R418 PolarHBondContact OE2-NH2 3.04Å; K415-R418 PolarHBondContact O-N 3.03Å; E416-R418 PolarHBondContact O-N 2.93Å; R418-T421 WeakPolarHBondContact CA-OG1 3.28Å; R418-T421 PolarHBondContact O-OG1 3.48Å; R418-E422 WeakPolarHBondContact O-CB 3.13Å; R418-E422 PolarHBondContact O-N 2.85Å
419S82.9Confident84.7Confident58 Ų58104.5 Ų104.541%0.40651%0.513SS..Hα-helixtrans-65-40.9175.586.60000111.8K415 E416 Q417 E422 I423K415-S419 PolarHBondContact O-N 3.39Å; E416-S419 WeakPolarHBondContact O-CB 3.38Å; E416-S419 PolarHBondContact O-N 3.33Å; E416-S419 VanDerWaalsContact O-N 3.14Å; E416-S419 PolarHBondContact O-OG 2.87Å; Q417-S419 VanDerWaalsContact C-N 3.35Å; S419-E422 PolarHBondContact O-N 2.9Å; S419-I423 VanDerWaalsContact O-CG1 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.46Å; S419-I423 PolarHBondContact O-N 3.44Å
420L81.9Confident84.8Confident100 Ų100107.2 Ų107.252%0.52452%0.52SS..Hα-helixtrans-65.8-46.5-180-154.199000111.1E416 Q417 E422 I423 E424E416-L420 PolarHBondContact O-N 3.48Å; Q417-L420 PolarHBondContact O-N 3Å; L420-E422 VanDerWaalsContact C-N 3.3Å; L420-E422 PolarHBondContact O-N 3.41Å; L420-I423 WeakPolarHBondContact O-CB 3.45Å; L420-I423 PolarHBondContact O-N 2.91Å; L420-I423 VanDerWaalsContact O-N 3.14Å; L420-E424 WeakPolarHBondContact O-CG 3.49Å; L420-E424 PolarHBondContact O-N 2.94Å
421T85.1Confident85.1Confident73 Ų73105.5 Ų105.545%0.44852%0.519SS..Hα-helixtrans-63.5-33.8176.344.80000112.6Q417 R418 R425Q417-T421 WeakPolarHBondContact O-CG2 3.43Å; Q417-T421 PolarHBondContact O-N 3.49Å; Q417-T421 PolarHBondContact O-OG1 3.35Å; R418-T421 WeakPolarHBondContact CA-OG1 3.28Å; R418-T421 PolarHBondContact O-OG1 3.48Å; T421-R425 WeakPolarHBondContact O-CB 3.45Å; T421-R425 PolarHBondContact O-N 3.17Å
422E86.6Confident85.2Confident107 Ų107105.9 Ų105.950%0.552%0.521SS..Hα-helixtrans-68.6-38.6173.3-158.3-169.1146.500112.1R418 S419 L420 K426R418-E422 WeakPolarHBondContact O-CB 3.13Å; R418-E422 PolarHBondContact O-N 2.85Å; S419-E422 PolarHBondContact O-N 2.9Å; L420-E422 VanDerWaalsContact C-N 3.3Å; L420-E422 PolarHBondContact O-N 3.41Å; E422-K426 WeakPolarHBondContact O-CG 3.48Å; E422-K426 PolarHBondContact O-N 3.5Å; E422-K426 WeakPolarHBondContact OE1-CE 3.26Å; E422-K426 IonicContact OE1-NZ 3.85Å; E422-K426 PolarHBondContact OE1-NZ 3.09Å
423I87.3Confident85.4Confident110 Ų110110.8 Ų110.856%0.56453%0.533SS*.Hα-helixtrans-65.1-45.7174.4-68.7166000110.5S419 L420 R425 K426 A427S419-I423 VanDerWaalsContact O-CG1 3.29Å; S419-I423 WeakPolarHBondContact O-CG1 3.46Å; S419-I423 PolarHBondContact O-N 3.44Å; L420-I423 WeakPolarHBondContact O-CB 3.45Å; L420-I423 PolarHBondContact O-N 2.91Å; L420-I423 VanDerWaalsContact O-N 3.14Å; I423-R425 PolarHBondContact O-N 3.22Å; I423-K426 WeakPolarHBondContact O-CB 3.4Å; I423-K426 PolarHBondContact O-N 2.91Å; I423-A427 PolarHBondContact O-N 3.28Å
424E81.9Confident85.8Confident114 Ų114115 Ų11553%0.53354%0.542SS..Hα-helixtrans-60-45175.9-76.5179.5159.400111.7L420 K426 A427 Q428L420-E424 WeakPolarHBondContact O-CG 3.49Å; L420-E424 PolarHBondContact O-N 2.94Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-K426 PolarHBondContact O-N 3.43Å; E424-A427 WeakPolarHBondContact O-CB 3.43Å; E424-A427 PolarHBondContact O-N 3.29Å; E424-A427 VanDerWaalsContact O-N 3.13Å; E424-Q428 WeakPolarHBondContact O-CB 3.45Å; E424-Q428 PolarHBondContact O-N 3.41Å
425R90.1Very high86.2Confident192 Ų192115 Ų11573%0.72555%0.547SS*.Hα-helixtrans-60.6-39.2176.4-167.9-172.1120.7106.11.1111.8T421 I423 A429T421-R425 WeakPolarHBondContact O-CB 3.45Å; T421-R425 PolarHBondContact O-N 3.17Å; I423-R425 PolarHBondContact O-N 3.22Å; R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 3.39Å
426K89.6Confident86.3Confident125 Ų125115.8 Ų115.854%0.54355%0.55SS..Hα-helixtrans-66.2-41.8174.6-76.3172.3-173.81600111.3E422 I423 E424 A429 N430E422-K426 WeakPolarHBondContact O-CG 3.48Å; E422-K426 PolarHBondContact O-N 3.5Å; E422-K426 WeakPolarHBondContact OE1-CE 3.26Å; E422-K426 IonicContact OE1-NZ 3.85Å; E422-K426 PolarHBondContact OE1-NZ 3.09Å; I423-K426 WeakPolarHBondContact O-CB 3.4Å; I423-K426 PolarHBondContact O-N 2.91Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-K426 PolarHBondContact O-N 3.43Å; K426-A429 PolarHBondContact O-N 3.49Å; K426-N430 WeakPolarHBondContact O-CB 3.38Å; K426-N430 PolarHBondContact O-N 2.92Å
427A85.8Confident86.5Confident59 Ų59115 Ų11549%0.48855%0.549SS..Hα-helixtrans-61.9-48175.900000111.5I423 E424 A429 N430 E431I423-A427 PolarHBondContact O-N 3.28Å; E424-A427 WeakPolarHBondContact O-CB 3.43Å; E424-A427 PolarHBondContact O-N 3.29Å; E424-A427 VanDerWaalsContact O-N 3.13Å; A427-A429 PolarHBondContact O-N 3.1Å; A427-N430 WeakPolarHBondContact O-CB 3.37Å; A427-N430 PolarHBondContact O-N 3.21Å; A427-E431 PolarHBondContact O-N 2.9Å
428Q86.8Confident86.9Confident122 Ų122115.4 Ų115.457%0.5755%0.549SS*.Hα-helixtrans-61.4-41.6177.9-131.9179.62000112.2E424 N430 E431 Q432E424-Q428 WeakPolarHBondContact O-CB 3.45Å; E424-Q428 PolarHBondContact O-N 3.41Å; Q428-N430 VanDerWaalsContact C-N 3.28Å; Q428-N430 PolarHBondContact O-N 3.25Å; Q428-E431 PolarHBondContact O-N 3.06Å; Q428-Q432 WeakPolarHBondContact O-CG 3.43Å; Q428-Q432 PolarHBondContact O-N 3.4Å
429A87.8Confident87.2Confident44 Ų44112.7 Ų112.736%0.36454%0.543SS..Hα-helixtrans-64.3-34.9174.900000112.2R425 K426 A427 R433R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 3.39Å; K426-A429 PolarHBondContact O-N 3.49Å; A427-A429 PolarHBondContact O-N 3.1Å; A429-R433 WeakPolarHBondContact O-CG 3.45Å; A429-R433 PolarHBondContact O-N 3.39Å; A429-R433 VanDerWaalsContact O-N 3.13Å
430N83.8Confident87.5Confident108 Ų108116 Ų11658%0.57855%0.55SS**Hα-helixtrans-73.4-39.4177.5-143.822.9000111.6K426 A427 Q428 R433 Y434K426-N430 WeakPolarHBondContact O-CB 3.38Å; K426-N430 PolarHBondContact O-N 2.92Å; A427-N430 WeakPolarHBondContact O-CB 3.37Å; A427-N430 PolarHBondContact O-N 3.21Å; Q428-N430 VanDerWaalsContact C-N 3.28Å; Q428-N430 PolarHBondContact O-N 3.25Å; N430-R433 WeakPolarHBondContact O-CB 3.26Å; N430-R433 PolarHBondContact O-N 3.27Å; N430-Y434 PolarHBondContact O-N 3.1Å
431E88.9Confident87.7Confident130 Ų130118.8 Ų118.861%0.60756%0.555SS**Hα-helixtrans-60.4-47.6172.7-170.4178.9-17500110.9A427 Q428 R433 Y434 T435A427-E431 PolarHBondContact O-N 2.9Å; Q428-E431 PolarHBondContact O-N 3.06Å; E431-R433 VanDerWaalsContact C-N 3.29Å; E431-R433 PolarHBondContact O-N 3.27Å; E431-Y434 WeakPolarHBondContact O-CA 3.49Å; E431-Y434 WeakPolarHBondContact O-CB 3.33Å; E431-Y434 PolarHBondContact O-N 3.39Å; E431-T435 PolarHBondContact O-N 3.48Å; E431-T435 PolarHBondContact O-OG1 2.91Å
432Q87.9Confident87.8Confident116 Ų116118.5 Ų118.554%0.54255%0.554SS.*Hα-helixtrans-58.9-37.9174.5-74.5-179.12.100113.1Q428 T435 K436Q428-Q432 WeakPolarHBondContact O-CG 3.43Å; Q428-Q432 PolarHBondContact O-N 3.4Å; Q432-T435 PolarHBondContact O-N 3.42Å; Q432-K436 WeakPolarHBondContact O-CB 3.4Å; Q432-K436 WeakPolarHBondContact O-CG 3.5Å; Q432-K436 PolarHBondContact O-N 3.48Å
433R89Confident87.8Confident184 Ų184118 Ų11869%0.69455%0.551SS**Hα-helixtrans-64.4-42.3174-77175.3-179.9-170.5-0.2111.3A429 N430 E431 K436 L437A429-R433 WeakPolarHBondContact O-CG 3.45Å; A429-R433 PolarHBondContact O-N 3.39Å; A429-R433 VanDerWaalsContact O-N 3.13Å; N430-R433 WeakPolarHBondContact O-CB 3.26Å; N430-R433 PolarHBondContact O-N 3.27Å; E431-R433 VanDerWaalsContact C-N 3.29Å; E431-R433 PolarHBondContact O-N 3.27Å; R433-K436 PolarHBondContact O-N 2.76Å; R433-L437 WeakPolarHBondContact O-CB 3.41Å; R433-L437 PolarHBondContact O-N 2.86Å
434Y89Confident87.9Confident164 Ų164118.5 Ų118.564%0.64356%0.555SS**Hα-helixtrans-63.7-43.4176.7-167.9-94.8000111.5N430 E431 L437 K438N430-Y434 PolarHBondContact O-N 3.1Å; E431-Y434 WeakPolarHBondContact O-CA 3.49Å; E431-Y434 WeakPolarHBondContact O-CB 3.33Å; E431-Y434 PolarHBondContact O-N 3.39Å; Y434-L437 PolarHBondContact O-N 3.22Å; Y434-K438 WeakPolarHBondContact O-CB 3.49Å; Y434-K438 PolarHBondContact O-N 3.08Å
435T88.9Confident88.3Confident62 Ų62116.6 Ų116.638%0.3855%0.551SS.*Hα-helixtrans-62.2-47176.5-47.50000111.6E431 Q432 L437 K438 E439E431-T435 PolarHBondContact O-N 3.48Å; E431-T435 PolarHBondContact O-OG1 2.91Å; Q432-T435 PolarHBondContact O-N 3.42Å; T435-L437 VanDerWaalsContact C-N 3.3Å; T435-L437 PolarHBondContact O-N 2.93Å; T435-K438 WeakPolarHBondContact O-CB 3.45Å; T435-K438 PolarHBondContact O-N 2.7Å; T435-E439 WeakPolarHBondContact O-CG 3.46Å; T435-E439 PolarHBondContact O-N 2.85Å
436K89.1Confident88.1Confident134 Ų134113.2 Ų113.258%0.58354%0.543SS*.Hα-helixtrans-61.1-38.4175-74.9-179.9-179.3-179.70112.7Q432 R433 E439 K440Q432-K436 WeakPolarHBondContact O-CB 3.4Å; Q432-K436 WeakPolarHBondContact O-CG 3.5Å; Q432-K436 PolarHBondContact O-N 3.48Å; R433-K436 PolarHBondContact O-N 2.76Å; K436-E439 PolarHBondContact O-N 3.42Å; K436-K440 WeakPolarHBondContact O-CB 3.37Å; K436-K440 WeakPolarHBondContact O-CG 3.21Å; K436-K440 PolarHBondContact O-N 2.89Å
437L88.9Confident88Confident118 Ų118109.8 Ų109.862%0.61854%0.535SS*.Hα-helixtrans-67-41176.5-172.865.5000111.1R433 Y434 T435 K440 Y441R433-L437 WeakPolarHBondContact O-CB 3.41Å; R433-L437 PolarHBondContact O-N 2.86Å; Y434-L437 PolarHBondContact O-N 3.22Å; T435-L437 VanDerWaalsContact C-N 3.3Å; T435-L437 PolarHBondContact O-N 2.93Å; L437-K440 PolarHBondContact O-N 3.27Å; L437-Y441 WeakPolarHBondContact O-CB 3.46Å; L437-Y441 PolarHBondContact O-N 2.89Å
438K90Very high88Confident137 Ų137112.6 Ų112.660%0.59654%0.538SS*.Hα-helixtrans-62.3-45.4174.3-174.8-177.1177.4-175.60111.1Y434 T435 Y441 T442Y434-K438 WeakPolarHBondContact O-CB 3.49Å; Y434-K438 PolarHBondContact O-N 3.08Å; T435-K438 WeakPolarHBondContact O-CB 3.45Å; T435-K438 PolarHBondContact O-N 2.7Å; K438-Y441 PolarHBondContact O-N 3.08Å; K438-T442 WeakPolarHBondContact O-CB 3.49Å; K438-T442 PolarHBondContact O-N 3.48Å; K438-T442 PolarHBondContact O-OG1 3.47Å
439E90Very high88Confident109 Ų109108.6 Ų108.651%0.50953%0.525SS..Hα-helixtrans-58-49.8174.4-73.7170.5172.400111T435 K436 Y441 T442 E443T435-E439 WeakPolarHBondContact O-CG 3.46Å; T435-E439 PolarHBondContact O-N 2.85Å; K436-E439 PolarHBondContact O-N 3.42Å; E439-Y441 VanDerWaalsContact C-N 3.34Å; E439-Y441 PolarHBondContact O-N 3.35Å; E439-T442 PolarHBondContact O-N 3.1Å; E439-T442 VanDerWaalsContact O-N 3.08Å; E439-E443 WeakPolarHBondContact O-CG 3.48Å; E439-E443 PolarHBondContact O-N 3.36Å
440K88.3Confident87.9Confident127 Ų127111.7 Ų111.755%0.55253%0.532SS*.Hα-helixtrans-61.1-40.2177.2-74.6-73.4160.8-1480113.1K436 L437 T442 E443 L444K436-K440 WeakPolarHBondContact O-CB 3.37Å; K436-K440 WeakPolarHBondContact O-CG 3.21Å; K436-K440 PolarHBondContact O-N 2.89Å; L437-K440 PolarHBondContact O-N 3.27Å; K440-T442 VanDerWaalsContact C-N 3.33Å; K440-E443 IonicContact NZ-OE1 3.67Å; K440-E443 IonicContact NZ-OE2 3.73Å; K440-E443 PolarHBondContact NZ-OE2 3.5Å; K440-L444 WeakPolarHBondContact O-CB 3.37Å; K440-L444 PolarHBondContact O-N 3.49Å
441Y86.2Confident88.1Confident160 Ų160111.7 Ų111.763%0.62753%0.532SS*.Hα-helixtrans-63-42173.8-179.4-95.3000111.2L437 K438 E439 L444 V445L437-Y441 WeakPolarHBondContact O-CB 3.46Å; L437-Y441 PolarHBondContact O-N 2.89Å; K438-Y441 PolarHBondContact O-N 3.08Å; E439-Y441 VanDerWaalsContact C-N 3.34Å; E439-Y441 PolarHBondContact O-N 3.35Å; Y441-L444 PolarHBondContact O-N 2.95Å; Y441-V445 HydrophobicContact CD1-CG2 4.21Å; Y441-V445 HydrophobicContact CE1-CG2 3.84Å; Y441-V445 VanDerWaalsContact O-CG2 3.29Å; Y441-V445 WeakPolarHBondContact O-CG2 3.37Å; Y441-V445 PolarHBondContact O-N 2.82Å
442T87.6Confident87.8Confident67 Ų67110.3 Ų110.341%0.41153%0.528SS..Hα-helixtrans-68-42.3179.3-44.90000111.6K438 E439 K440 L444 V445 Q446K438-T442 WeakPolarHBondContact O-CB 3.49Å; K438-T442 PolarHBondContact O-N 3.48Å; K438-T442 PolarHBondContact O-OG1 3.47Å; E439-T442 PolarHBondContact O-N 3.1Å; E439-T442 VanDerWaalsContact O-N 3.08Å; K440-T442 VanDerWaalsContact C-N 3.33Å; T442-L444 VanDerWaalsContact C-N 3.33Å; T442-L444 PolarHBondContact O-N 3.49Å; T442-V445 PolarHBondContact O-N 3.43Å; T442-Q446 PolarHBondContact O-N 2.95Å
443E87.2Confident87.8Confident96 Ų96113.5 Ų113.545%0.44954%0.535SS..Hα-helixtrans-58.8-43.2172-75.6176.9-179.600111.4E439 K440 Q446 S447E439-E443 WeakPolarHBondContact O-CG 3.48Å; E439-E443 PolarHBondContact O-N 3.36Å; K440-E443 IonicContact NZ-OE1 3.67Å; K440-E443 IonicContact NZ-OE2 3.73Å; K440-E443 PolarHBondContact NZ-OE2 3.5Å; E443-Q446 PolarHBondContact O-N 3.07Å; E443-S447 VanDerWaalsContact O-CB 3.3Å; E443-S447 WeakPolarHBondContact O-CB 3.28Å; E443-S447 PolarHBondContact O-N 3.04Å
444L89.8Confident87.6Confident121 Ų121111.5 Ų111.563%0.63453%0.531SS*.Hα-helixtrans-65.2-42.4178.4-17367.8000111.5K440 Y441 T442 S447 H448K440-L444 WeakPolarHBondContact O-CB 3.37Å; K440-L444 PolarHBondContact O-N 3.49Å; Y441-L444 PolarHBondContact O-N 2.95Å; T442-L444 VanDerWaalsContact C-N 3.33Å; T442-L444 PolarHBondContact O-N 3.49Å; L444-S447 PolarHBondContact O-N 3.32Å; L444-H448 WeakPolarHBondContact O-CB 3.3Å; L444-H448 PolarHBondContact O-N 2.9Å
445V89.2Confident87.2Confident74 Ų74108.8 Ų108.845%0.44853%0.528SS..Hα-helixtrans-63.1-44.2175.5170.10000110.9Y441 T442 H448 A449Y441-V445 HydrophobicContact CD1-CG2 4.21Å; Y441-V445 HydrophobicContact CE1-CG2 3.84Å; Y441-V445 VanDerWaalsContact O-CG2 3.29Å; Y441-V445 WeakPolarHBondContact O-CG2 3.37Å; Y441-V445 PolarHBondContact O-N 2.82Å; T442-V445 PolarHBondContact O-N 3.43Å; V445-H448 PolarHBondContact O-N 3.36Å; V445-A449 WeakPolarHBondContact O-CB 3.38Å; V445-A449 PolarHBondContact O-N 3.41Å
446Q87.4Confident87Confident120 Ų120108.7 Ų108.756%0.56153%0.534SS*.Hα-helixtrans-62.5-45.9174.9-85.1-178.7-17.100112T442 E443 H448 A449 E450T442-Q446 PolarHBondContact O-N 2.95Å; E443-Q446 PolarHBondContact O-N 3.07Å; Q446-H448 VanDerWaalsContact C-N 3.3Å; Q446-H448 PolarHBondContact O-N 2.77Å; Q446-A449 WeakPolarHBondContact O-CB 3.33Å; Q446-A449 PolarHBondContact O-N 3.48Å; Q446-A449 VanDerWaalsContact O-N 3.16Å; Q446-E450 WeakPolarHBondContact O-CG 3.34Å; Q446-E450 PolarHBondContact O-N 3.18Å
447S86.8Confident86.7Confident54 Ų54105.7 Ų105.738%0.37852%0.521SS..Hα-helixtrans-60.4-41176.7-176.50000111.7E443 L444 E450 L451E443-S447 VanDerWaalsContact O-CB 3.3Å; E443-S447 WeakPolarHBondContact O-CB 3.28Å; E443-S447 PolarHBondContact O-N 3.04Å; L444-S447 PolarHBondContact O-N 3.32Å; S447-E450 PolarHBondContact O-N 3.14Å; S447-L451 WeakPolarHBondContact O-CB 3.49Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.39Å
448H86.6Confident86.4Confident118 Ų118104.3 Ų104.355%0.54652%0.518SS..Hα-helixtrans-64-43.2175.1-171.251.4000111.9L444 V445 Q446 L451 L452L444-H448 WeakPolarHBondContact O-CB 3.3Å; L444-H448 PolarHBondContact O-N 2.9Å; V445-H448 PolarHBondContact O-N 3.36Å; Q446-H448 VanDerWaalsContact C-N 3.3Å; Q446-H448 PolarHBondContact O-N 2.77Å; H448-L451 PolarHBondContact O-N 2.95Å; H448-L452 WeakPolarHBondContact O-CG 3.45Å; H448-L452 PolarHBondContact O-N 3.06Å
449A86.4Confident86Confident38 Ų38101.2 Ų101.231%0.31451%0.511SS..Hα-helixtrans-63.7-40175.500000112.6V445 Q446 L452 R453V445-A449 WeakPolarHBondContact O-CB 3.38Å; V445-A449 PolarHBondContact O-N 3.41Å; Q446-A449 WeakPolarHBondContact O-CB 3.33Å; Q446-A449 PolarHBondContact O-N 3.48Å; Q446-A449 VanDerWaalsContact O-N 3.16Å; A449-L452 PolarHBondContact O-N 3.42Å; A449-R453 PolarHBondContact O-N 2.92Å
450E85.4Confident85.7Confident109 Ų109102.9 Ų102.951%0.50951%0.512SS..Hα-helixtrans-66.6-40.5174.9-74.9-179.2-176.600112.5Q446 S447 L452 R453 K454Q446-E450 WeakPolarHBondContact O-CG 3.34Å; Q446-E450 PolarHBondContact O-N 3.18Å; S447-E450 PolarHBondContact O-N 3.14Å; E450-L452 VanDerWaalsContact C-N 3.32Å; E450-R453 PolarHBondContact O-N 3.28Å; E450-K454 PolarHBondContact O-N 2.9Å
451L87.3Confident85.3Confident107 Ų107102 Ų10256%0.5651%0.51SS*.Hα-helixtrans-63-40174.5-79.2168.1000111.4S447 H448 K454 N455S447-L451 WeakPolarHBondContact O-CB 3.49Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.39Å; H448-L451 PolarHBondContact O-N 2.95Å; L451-K454 PolarHBondContact O-N 3.08Å; L451-N455 VanDerWaalsContact O-CB 3.26Å; L451-N455 WeakPolarHBondContact O-CB 3.49Å; L451-N455 PolarHBondContact O-N 2.92Å
452L83.9Confident84.8Confident102 Ų10299.2 Ų99.253%0.53450%0.504SS..Hα-helixtrans-62.5-43.7173.4-74.6169.8000111.7H448 A449 E450 N455 A456H448-L452 WeakPolarHBondContact O-CG 3.45Å; H448-L452 PolarHBondContact O-N 3.06Å; A449-L452 PolarHBondContact O-N 3.42Å; E450-L452 VanDerWaalsContact C-N 3.32Å; L452-N455 PolarHBondContact O-N 3.06Å; L452-A456 WeakPolarHBondContact O-CB 3.5Å; L452-A456 PolarHBondContact O-N 3Å
453R87.1Confident84.4Confident183 Ų183100 Ų10069%0.69151%0.508SS*.Hα-helixtrans-62.9-43.8174.8-73.5-176.9-172.4132.6-0.1112.4A449 E450 A456 E457A449-R453 PolarHBondContact O-N 2.92Å; E450-R453 PolarHBondContact O-N 3.28Å; R453-A456 PolarHBondContact O-N 3.36Å; R453-E457 PolarHBondContact O-N 3.27Å
454K84.1Confident84.1Confident142 Ų14299.5 Ų99.562%0.61751%0.512SS*.Hα-helixtrans-63.9-40.4175.6-84.8-178.2177.6168.50111.8E450 L451 A456 E457 V458E450-K454 PolarHBondContact O-N 2.9Å; L451-K454 PolarHBondContact O-N 3.08Å; K454-A456 VanDerWaalsContact C-N 3.34Å; K454-E457 PolarHBondContact O-N 3.09Å; K454-V458 WeakPolarHBondContact O-CB 3.26Å; K454-V458 VanDerWaalsContact O-CG2 3.24Å; K454-V458 WeakPolarHBondContact O-CG2 3.49Å; K454-V458 PolarHBondContact O-N 3.31Å
455N81.3Confident83.4Confident107 Ų10796.4 Ų96.457%0.57250%0.504SS*.Hα-helixtrans-63.4-42.7176.3-166.9-56.7000111L451 L452 V458 T459L451-N455 VanDerWaalsContact O-CB 3.26Å; L451-N455 WeakPolarHBondContact O-CB 3.49Å; L451-N455 PolarHBondContact O-N 2.92Å; L452-N455 PolarHBondContact O-N 3.06Å; N455-V458 PolarHBondContact O-N 3.33Å; N455-T459 WeakPolarHBondContact O-CB 3.46Å; N455-T459 PolarHBondContact O-N 3.34Å; N455-T459 PolarHBondContact O-OG1 3.4Å
456A84.4Confident82.8Confident60 Ų60100 Ų10050%0.49651%0.51SS..Hα-helixtrans-61.8-44.617400000112.4L452 R453 K454 T459 R460L452-A456 WeakPolarHBondContact O-CB 3.5Å; L452-A456 PolarHBondContact O-N 3Å; R453-A456 PolarHBondContact O-N 3.36Å; K454-A456 VanDerWaalsContact C-N 3.34Å; A456-T459 PolarHBondContact O-N 3.28Å; A456-R460 WeakPolarHBondContact O-CB 3.46Å; A456-R460 PolarHBondContact O-N 3.01Å
457E83.8Confident82.3Confident70 Ų7097 Ų9733%0.32751%0.505SS..Hα-helixtrans-68.9-39.6178.2-17958.3-16500112.4R453 K454 T459 R460 Q461R453-E457 PolarHBondContact O-N 3.27Å; K454-E457 PolarHBondContact O-N 3.09Å; E457-T459 VanDerWaalsContact C-N 3.31Å; E457-T459 PolarHBondContact O-N 2.97Å; E457-R460 WeakPolarHBondContact O-CB 3.46Å; E457-R460 PolarHBondContact O-N 3.44Å; E457-R460 IonicContact OE1-CZ 3.74Å; E457-R460 IonicContact OE1-NE 3.64Å; E457-R460 IonicContact OE1-NH2 3.95Å; E457-R460 PolarHBondContact OE1-NH2 3.16Å; E457-R460 VanDerWaalsContact OE1-NH2 3.13Å; E457-R460 IonicContact OE2-CZ 2.87Å; E457-R460 IonicContact OE2-NE 2.9Å; E457-R460 PolarHBondContact OE2-NE 2.95Å; E457-R460 IonicContact OE2-NH2 2.7Å; E457-Q461 HydrophobicContact CG-CG 4.49Å; E457-Q461 WeakPolarHBondContact O-CB 3.39Å; E457-Q461 WeakPolarHBondContact O-CG 3.46Å; E457-Q461 PolarHBondContact O-N 3.43Å; E457-Q461 PolarHBondContact OE1-NE2 3.03Å
458V81.2Confident81.8Confident90 Ų9096.7 Ų96.755%0.54551%0.506SS..Hα-helixtrans-62.9-40.5173.31690000110.6K454 N455 R460 Q461 M462K454-V458 WeakPolarHBondContact O-CB 3.26Å; K454-V458 VanDerWaalsContact O-CG2 3.24Å; K454-V458 WeakPolarHBondContact O-CG2 3.49Å; K454-V458 PolarHBondContact O-N 3.31Å; N455-V458 PolarHBondContact O-N 3.33Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 2.87Å; V458-Q461 PolarHBondContact O-N 3.49Å; V458-M462 VanDerWaalsContact O-CB 3.31Å; V458-M462 WeakPolarHBondContact O-CB 3.25Å; V458-M462 PolarHBondContact O-N 3.08Å
459T82Confident81.2Confident72 Ų7296.5 Ų96.544%0.44251%0.505SS..Hα-helixtrans-62.3-40.9174.7-57.90000111N455 A456 E457 M462 T463N455-T459 WeakPolarHBondContact O-CB 3.46Å; N455-T459 PolarHBondContact O-N 3.34Å; N455-T459 PolarHBondContact O-OG1 3.4Å; A456-T459 PolarHBondContact O-N 3.28Å; E457-T459 VanDerWaalsContact C-N 3.31Å; E457-T459 PolarHBondContact O-N 2.97Å; T459-M462 PolarHBondContact O-N 3.25Å; T459-T463 PolarHBondContact O-N 3.44Å; T459-T463 PolarHBondContact O-OG1 3.28Å
460R83.1Confident80.8Confident144 Ų14499.7 Ų99.754%0.54352%0.517SS..Hα-helixtrans-66.4-41.9175.5-162.9-175.879.192.15.8112.6A456 E457 V458 M462 T463 V464A456-R460 WeakPolarHBondContact O-CB 3.46Å; A456-R460 PolarHBondContact O-N 3.01Å; E457-R460 WeakPolarHBondContact O-CB 3.46Å; E457-R460 PolarHBondContact O-N 3.44Å; E457-R460 IonicContact OE1-CZ 3.74Å; E457-R460 IonicContact OE1-NE 3.64Å; E457-R460 IonicContact OE1-NH2 3.95Å; E457-R460 PolarHBondContact OE1-NH2 3.16Å; E457-R460 VanDerWaalsContact OE1-NH2 3.13Å; E457-R460 IonicContact OE2-CZ 2.87Å; E457-R460 IonicContact OE2-NE 2.9Å; E457-R460 PolarHBondContact OE2-NE 2.95Å; E457-R460 IonicContact OE2-NH2 2.7Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 2.87Å; R460-M462 VanDerWaalsContact C-N 3.32Å; R460-T463 WeakPolarHBondContact CA-OG1 3.43Å; R460-T463 PolarHBondContact O-N 2.98Å; R460-T463 PolarHBondContact O-OG1 3.11Å; R460-V464 VanDerWaalsContact O-CG2 3.32Å; R460-V464 WeakPolarHBondContact O-CG2 3.46Å; R460-V464 PolarHBondContact O-N 3.11Å
461Q80.5Confident80.4Confident109 Ų109101.1 Ų101.151%0.50952%0.524SS..Hα-helixtrans-66.8-36.5175.6-72.61787.900111.3E457 V458 V464 A465E457-Q461 HydrophobicContact CG-CG 4.49Å; E457-Q461 WeakPolarHBondContact O-CB 3.39Å; E457-Q461 WeakPolarHBondContact O-CG 3.46Å; E457-Q461 PolarHBondContact O-N 3.43Å; E457-Q461 PolarHBondContact OE1-NE2 3.03Å; V458-Q461 PolarHBondContact O-N 3.49Å; Q461-V464 PolarHBondContact O-N 2.91Å; Q461-A465 VanDerWaalsContact O-CB 3.27Å; Q461-A465 WeakPolarHBondContact O-CB 3.35Å; Q461-A465 PolarHBondContact O-N 3.33Å
462M76.3Confident79.9Confident101 Ų101100.6 Ų100.650%0.49853%0.525SS..Hα-helixtrans-65.7-39.9175-168.1-168.5-163.200112.1V458 T459 R460 R466V458-M462 VanDerWaalsContact O-CB 3.31Å; V458-M462 WeakPolarHBondContact O-CB 3.25Å; V458-M462 PolarHBondContact O-N 3.08Å; T459-M462 PolarHBondContact O-N 3.25Å; R460-M462 VanDerWaalsContact C-N 3.32Å; M462-R466 WeakPolarHBondContact O-CB 3.47Å; M462-R466 WeakPolarHBondContact O-CG 3.39Å; M462-R466 PolarHBondContact O-N 2.94Å
463T79.9Confident79.4Confident82 Ų8299.5 Ų99.550%0.50352%0.517SS..Hα-helixtrans-68.4-40.5175.445.20000112T459 R460 R466 A467T459-T463 PolarHBondContact O-N 3.44Å; T459-T463 PolarHBondContact O-OG1 3.28Å; R460-T463 WeakPolarHBondContact CA-OG1 3.43Å; R460-T463 PolarHBondContact O-N 2.98Å; R460-T463 PolarHBondContact O-OG1 3.11Å; T463-R466 PolarHBondContact O-N 3.44Å; T463-A467 PolarHBondContact O-N 3.14Å
464V81Confident79Confident86 Ų8693.1 Ų93.152%0.52150%0.504SS..Hα-helixtrans-64-43.2174172.90000111.5R460 Q461 R466 A467 A468R460-V464 VanDerWaalsContact O-CG2 3.32Å; R460-V464 WeakPolarHBondContact O-CG2 3.46Å; R460-V464 PolarHBondContact O-N 3.11Å; Q461-V464 PolarHBondContact O-N 2.91Å; V464-R466 PolarHBondContact O-N 3.32Å; V464-A467 PolarHBondContact O-N 3.07Å; V464-A468 WeakPolarHBondContact O-CB 3.35Å; V464-A468 PolarHBondContact O-N 3.3Å
465A74.2Confident78.6Confident57 Ų5790.4 Ų90.447%0.47150%0.499SS..Hα-helixtrans-64.8-38.2177.300000112.3Q461 A468 Q469Q461-A465 VanDerWaalsContact O-CB 3.27Å; Q461-A465 WeakPolarHBondContact O-CB 3.35Å; Q461-A465 PolarHBondContact O-N 3.33Å; A465-A468 PolarHBondContact O-N 3.47Å; A465-Q469 WeakPolarHBondContact O-CB 3.37Å; A465-Q469 PolarHBondContact O-N 3.47Å
466R76.3Confident78.3Confident150 Ų15092.5 Ų92.557%0.56650%0.499SS*.Hα-helixtrans-64-45.1172.9-81-179.3174.4176.8-1.1112M462 T463 V464 A468 Q469 D470M462-R466 WeakPolarHBondContact O-CB 3.47Å; M462-R466 WeakPolarHBondContact O-CG 3.39Å; M462-R466 PolarHBondContact O-N 2.94Å; T463-R466 PolarHBondContact O-N 3.44Å; V464-R466 PolarHBondContact O-N 3.32Å; R466-A468 VanDerWaalsContact C-N 3.35Å; R466-A468 PolarHBondContact O-N 2.82Å; R466-Q469 PolarHBondContact O-N 3.5Å; R466-D470 PolarHBondContact O-N 3.32Å
467A76.7Confident77.9Confident57 Ų5797.6 Ų97.647%0.47151%0.505SS..Hα-helixtrans-61.4-42.4176.700000112.1T463 V464 Q469 D470 E471T463-A467 PolarHBondContact O-N 3.14Å; V464-A467 PolarHBondContact O-N 3.07Å; A467-Q469 VanDerWaalsContact C-N 3.34Å; A467-D470 PolarHBondContact O-N 3.37Å; A467-E471 WeakPolarHBondContact O-CB 3.2Å; A467-E471 PolarHBondContact O-N 3.44Å
468A76.6Confident77.5Confident47 Ų4798.9 Ų98.939%0.38851%0.511SS..Hα-helixtrans-66.1-35.717500000112.4V464 A465 R466 E471 V472V464-A468 WeakPolarHBondContact O-CB 3.35Å; V464-A468 PolarHBondContact O-N 3.3Å; A465-A468 PolarHBondContact O-N 3.47Å; R466-A468 VanDerWaalsContact C-N 3.35Å; R466-A468 PolarHBondContact O-N 2.82Å; A468-E471 PolarHBondContact O-N 2.78Å; A468-V472 WeakPolarHBondContact O-CB 3.48Å; A468-V472 VanDerWaalsContact O-CG2 3.25Å; A468-V472 WeakPolarHBondContact O-CG2 3.31Å; A468-V472 PolarHBondContact O-N 3.03Å
469Q73.6Confident77Confident114 Ų114100.2 Ų100.253%0.53351%0.512SS..Hα-helixtrans-66.9-42.2174.5-176.3173.1-19.200111.8A465 R466 A467 E471 V472 E473A465-Q469 WeakPolarHBondContact O-CB 3.37Å; A465-Q469 PolarHBondContact O-N 3.47Å; R466-Q469 PolarHBondContact O-N 3.5Å; A467-Q469 VanDerWaalsContact C-N 3.34Å; Q469-E471 VanDerWaalsContact C-N 3.31Å; Q469-E471 PolarHBondContact O-N 3.46Å; Q469-V472 PolarHBondContact O-N 2.97Å; Q469-E473 WeakPolarHBondContact O-CG 3.49Å; Q469-E473 PolarHBondContact O-N 2.93Å
470D78.2Confident76.5Confident104 Ų104102.2 Ų102.256%0.55652%0.517SS*.Hα-helixtrans-62.8-38.4175.8-69.3-23.9000111.3R466 A467 E473 A474R466-D470 PolarHBondContact O-N 3.32Å; A467-D470 PolarHBondContact O-N 3.37Å; D470-E473 PolarHBondContact O-N 2.97Å; D470-A474 WeakPolarHBondContact O-CB 3.48Å; D470-A474 PolarHBondContact O-N 3.43Å
471E77.1Confident75.9Confident139 Ų139102.2 Ų102.265%0.6552%0.523SS*.Hα-helixtrans-68.1-40.9175.3-164.5170.9-165.500111.9A467 A468 Q469 A474 V475A467-E471 WeakPolarHBondContact O-CB 3.2Å; A467-E471 PolarHBondContact O-N 3.44Å; A468-E471 PolarHBondContact O-N 2.78Å; Q469-E471 VanDerWaalsContact C-N 3.31Å; Q469-E471 PolarHBondContact O-N 3.46Å; E471-A474 PolarHBondContact O-N 2.9Å; E471-V475 VanDerWaalsContact O-CG2 3.31Å; E471-V475 WeakPolarHBondContact O-CG2 3.34Å; E471-V475 PolarHBondContact O-N 3.37Å
472V76Confident75.5Confident97 Ų97102.5 Ų102.559%0.58852%0.523SS*.Hα-helixtrans-64.1-39.4172.6169.50000111.4A468 Q469 R476A468-V472 WeakPolarHBondContact O-CB 3.48Å; A468-V472 VanDerWaalsContact O-CG2 3.25Å; A468-V472 WeakPolarHBondContact O-CG2 3.31Å; A468-V472 PolarHBondContact O-N 3.03Å; Q469-V472 PolarHBondContact O-N 2.97Å; V472-R476 VanDerWaalsContact O-CB 3.23Å; V472-R476 WeakPolarHBondContact O-CB 3.47Å; V472-R476 PolarHBondContact O-N 3.04Å
473E74.9Confident75.2Confident78 Ų78101.8 Ų101.836%0.36452%0.524SS..Hα-helixtrans-67.3-36174.8-77-170.9-167.600112.4Q469 D470 R476 R477Q469-E473 WeakPolarHBondContact O-CG 3.49Å; Q469-E473 PolarHBondContact O-N 2.93Å; D470-E473 PolarHBondContact O-N 2.97Å; E473-R476 PolarHBondContact O-N 3.14Å; E473-R477 PolarHBondContact O-N 3.11Å
474A77.6Confident74.7Confident50 Ų50104.6 Ų104.641%0.41353%0.529SS..Hα-helixtrans-65.7-48173.500000111.7D470 E471 R476 R477 E478D470-A474 WeakPolarHBondContact O-CB 3.48Å; D470-A474 PolarHBondContact O-N 3.43Å; E471-A474 PolarHBondContact O-N 2.9Å; A474-R476 VanDerWaalsContact C-N 3.3Å; A474-R476 PolarHBondContact O-N 3.48Å; A474-R477 WeakPolarHBondContact O-CB 3.06Å; A474-R477 PolarHBondContact O-N 3.37Å; A474-E478 PolarHBondContact O-N 2.88Å
475V76.7Confident74.1Confident85 Ų85103.4 Ų103.452%0.51552%0.524SS..Hα-helixtrans-62.5-37.6175172.30000111E471 E478 M479E471-V475 VanDerWaalsContact O-CG2 3.31Å; E471-V475 WeakPolarHBondContact O-CG2 3.34Å; E471-V475 PolarHBondContact O-N 3.37Å; V475-E478 PolarHBondContact O-N 3.33Å; V475-M479 VanDerWaalsContact O-CB 3.29Å; V475-M479 WeakPolarHBondContact O-CB 3.44Å; V475-M479 PolarHBondContact O-N 3.42Å
476R75.2Confident73.8Confident151 Ų151103.4 Ų103.457%0.5753%0.525SS*.Hα-helixtrans-65.4-39.1175.1-167.7-176.874.4132.10112.1V472 E473 A474 Q480V472-R476 VanDerWaalsContact O-CB 3.23Å; V472-R476 WeakPolarHBondContact O-CB 3.47Å; V472-R476 PolarHBondContact O-N 3.04Å; E473-R476 PolarHBondContact O-N 3.14Å; A474-R476 VanDerWaalsContact C-N 3.3Å; A474-R476 PolarHBondContact O-N 3.48Å; R476-Q480 WeakPolarHBondContact O-CB 3.16Å; R476-Q480 PolarHBondContact O-N 3.37Å
477R75.6Confident73.1Confident167 Ų167102.8 Ų102.863%0.6353%0.528SS*.Hα-helixtrans-63.2-47.1172.5-94.2-168.1-167.3106.42.8111.4E473 A474 M479 Q480 E481E473-R477 PolarHBondContact O-N 3.11Å; A474-R477 WeakPolarHBondContact O-CB 3.06Å; A474-R477 PolarHBondContact O-N 3.37Å; R477-M479 VanDerWaalsContact C-N 3.31Å; R477-M479 PolarHBondContact O-N 3.39Å; R477-Q480 PolarHBondContact O-N 3.07Å; R477-E481 PolarHBondContact O-N 3.06Å
478E74.9Confident72.6Confident96 Ų96104.9 Ų104.945%0.44953%0.528SS..Hα-helixtrans-62.7-39.8179.1-162.7-167152.200111.4A474 V475 E481 K482A474-E478 PolarHBondContact O-N 2.88Å; V475-E478 PolarHBondContact O-N 3.33Å; E478-E481 PolarHBondContact O-N 2.94Å; E478-K482 WeakPolarHBondContact O-CB 3.31Å; E478-K482 WeakPolarHBondContact O-CG 3.33Å; E478-K482 PolarHBondContact O-N 3.22Å; E478-K482 WeakPolarHBondContact OE1-CE 3.28Å; E478-K482 IonicContact OE1-NZ 2.66Å; E478-K482 PolarHBondContact OE1-NZ 3.04Å
479M70.9Confident72Confident118 Ų118104.9 Ų104.958%0.58153%0.528SS*.Hα-helixtrans-68.2-37.9175-167.865.5168.500112V475 R477 K482 V483V475-M479 VanDerWaalsContact O-CB 3.29Å; V475-M479 WeakPolarHBondContact O-CB 3.44Å; V475-M479 PolarHBondContact O-N 3.42Å; R477-M479 VanDerWaalsContact C-N 3.31Å; R477-M479 PolarHBondContact O-N 3.39Å; M479-K482 PolarHBondContact O-N 3.36Å; M479-V483 WeakPolarHBondContact O-CB 3.43Å; M479-V483 VanDerWaalsContact O-CG2 3.27Å; M479-V483 WeakPolarHBondContact O-CG2 3.47Å; M479-V483 PolarHBondContact O-N 2.88Å
480Q71.5Confident71.4Confident115 Ų115102 Ų10254%0.53752%0.523SS..Hα-helixtrans-63.7-40172.9-87.9-178.5-33.100112.1R476 R477 V483 K484R476-Q480 WeakPolarHBondContact O-CB 3.16Å; R476-Q480 PolarHBondContact O-N 3.37Å; R477-Q480 PolarHBondContact O-N 3.07Å; Q480-V483 PolarHBondContact O-N 3.31Å; Q480-K484 WeakPolarHBondContact O-CB 3.29Å; Q480-K484 PolarHBondContact O-N 2.94Å
481E71.1Confident70.4Confident143 Ų143100.4 Ų100.467%0.66852%0.515SS*.Hα-helixtrans-65.9-40.2173.5-81.8-176.4153.900112.3R477 E478 K484 S485R477-E481 PolarHBondContact O-N 3.06Å; E478-E481 PolarHBondContact O-N 2.94Å; E481-K484 PolarHBondContact O-N 3.46Å; E481-S485 WeakPolarHBondContact O-CB 3.41Å; E481-S485 PolarHBondContact O-N 3.38Å; E481-S485 PolarHBondContact O-OG 3.08Å
482K71.3Confident69.6Low115 Ų115100.3 Ų100.350%0.551%0.509SS..Hα-helixtrans-66.7-36175.2-77.2173.4172.1165.80113.2E478 M479 S485 A486E478-K482 WeakPolarHBondContact O-CB 3.31Å; E478-K482 WeakPolarHBondContact O-CG 3.33Å; E478-K482 PolarHBondContact O-N 3.22Å; E478-K482 WeakPolarHBondContact OE1-CE 3.28Å; E478-K482 IonicContact OE1-NZ 2.66Å; E478-K482 PolarHBondContact OE1-NZ 3.04Å; M479-K482 PolarHBondContact O-N 3.36Å; K482-S485 PolarHBondContact O-OG 3.03Å; K482-S485 VanDerWaalsContact O-OG 3.05Å; K482-A486 VanDerWaalsContact O-CB 3.27Å; K482-A486 WeakPolarHBondContact O-CB 3.29Å; K482-A486 PolarHBondContact O-N 2.84Å
483V69.8Low68.7Low86 Ų86101.8 Ų101.852%0.52151%0.509SS..Hα-helixtrans-71.1-38.7174.41700000110.9M479 Q480 A486 H487M479-V483 WeakPolarHBondContact O-CB 3.43Å; M479-V483 VanDerWaalsContact O-CG2 3.27Å; M479-V483 WeakPolarHBondContact O-CG2 3.47Å; M479-V483 PolarHBondContact O-N 2.88Å; Q480-V483 PolarHBondContact O-N 3.31Å; V483-A486 PolarHBondContact O-N 2.85Å; V483-H487 WeakPolarHBondContact O-CB 3.45Å; V483-H487 PolarHBondContact O-N 3.23Å
484K69.7Low67.8Low141 Ų141105.2 Ų105.261%0.61353%0.525SS*.Hα-helixtrans-65.1-43.3176.5-148.1179.7-176-172.10111.6Q480 E481 H487 E488Q480-K484 WeakPolarHBondContact O-CB 3.29Å; Q480-K484 PolarHBondContact O-N 2.94Å; E481-K484 PolarHBondContact O-N 3.46Å; K484-H487 PolarHBondContact O-N 3.49Å; K484-E488 WeakPolarHBondContact O-CB 3.35Å; K484-E488 WeakPolarHBondContact O-CG 3.26Å; K484-E488 PolarHBondContact O-N 2.73Å
485S68.4Low66.9Low61 Ų61111.5 Ų111.543%0.42754%0.538SS..Hα-helixtrans-68.6-33.7176.268.30000113.1E481 K482 A489E481-S485 WeakPolarHBondContact O-CB 3.41Å; E481-S485 PolarHBondContact O-N 3.38Å; E481-S485 PolarHBondContact O-OG 3.08Å; K482-S485 PolarHBondContact O-OG 3.03Å; K482-S485 VanDerWaalsContact O-OG 3.05Å; S485-A489 VanDerWaalsContact O-CB 3.28Å; S485-A489 WeakPolarHBondContact O-CB 3.35Å; S485-A489 PolarHBondContact O-N 3.4Å
486A66.9Low65.9Low58 Ų58112.3 Ų112.348%0.47954%0.536SS..Hα-helixtrans-70.4-36.3173.700000113K482 V483 A489 A490K482-A486 VanDerWaalsContact O-CB 3.27Å; K482-A486 WeakPolarHBondContact O-CB 3.29Å; K482-A486 PolarHBondContact O-N 2.84Å; V483-A486 PolarHBondContact O-N 2.85Å; A486-A489 PolarHBondContact O-N 2.84Å; A486-A490 PolarHBondContact O-N 3.08Å
487H63.3Low64.8Low136 Ų136112 Ų11263%0.6354%0.541SS*.Hα-helixtrans-69.1-41.3175.1-144.864.7000111.3V483 K484 A489 A490 D491V483-H487 WeakPolarHBondContact O-CB 3.45Å; V483-H487 PolarHBondContact O-N 3.23Å; K484-H487 PolarHBondContact O-N 3.49Å; H487-A489 VanDerWaalsContact C-N 3.29Å; H487-A489 PolarHBondContact O-N 2.88Å; H487-A490 PolarHBondContact O-N 3.27Å; H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.15Å
488E66.4Low63.9Low102 Ų102110.1 Ų110.148%0.47755%0.548SS..Hα-helixtrans-67.7-26.5172.9-71.3172-171.700112.9K484 R492K484-E488 WeakPolarHBondContact O-CB 3.35Å; K484-E488 WeakPolarHBondContact O-CG 3.26Å; K484-E488 PolarHBondContact O-N 2.73Å; E488-R492 VanDerWaalsContact O-CG 3.31Å; E488-R492 WeakPolarHBondContact O-CG 3.45Å; E488-R492 PolarHBondContact O-N 3.17Å; E488-R492 PolarHBondContact O-NE 2.92Å
489A62.9Low63.2Low46 Ų46113.3 Ų113.338%0.3856%0.561SS.*Hα-helixtrans-76.9-37.4174.500000112.6S485 A486 H487 R492 Q493S485-A489 VanDerWaalsContact O-CB 3.28Å; S485-A489 WeakPolarHBondContact O-CB 3.35Å; S485-A489 PolarHBondContact O-N 3.4Å; A486-A489 PolarHBondContact O-N 2.84Å; H487-A489 VanDerWaalsContact C-N 3.29Å; H487-A489 PolarHBondContact O-N 2.88Å; A489-R492 PolarHBondContact O-N 3.26Å; A489-Q493 WeakPolarHBondContact O-CB 3.45Å; A489-Q493 PolarHBondContact O-N 3.49Å; A489-Q493 VanDerWaalsContact O-N 3.09Å
490A60.4Low62Low53 Ų53113.8 Ų113.844%0.43856%0.561SS.*Hα-helixtrans-69.1-41.7176.800000112.7A486 H487 R492 Q493 E494A486-A490 PolarHBondContact O-N 3.08Å; H487-A490 PolarHBondContact O-N 3.27Å; A490-R492 VanDerWaalsContact C-N 3.28Å; A490-R492 PolarHBondContact O-N 3.45Å; A490-Q493 PolarHBondContact O-N 3.02Å; A490-E494 PolarHBondContact O-N 3.18Å
491D58.5Low61.3Low72 Ų72116.3 Ų116.339%0.38558%0.578SS.*Hα-helixtrans-68.6-23.6176.7-90.77.9000113.7H487H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.15Å
492R59.9Low60.4Low137 Ų137118.2 Ų118.252%0.51759%0.586SS.*Hα-helixtrans-79.7-40.6172.4-78.4-177.8-78.5169.6-5.7111.4E488 A489 A490 E494 R495 E496E488-R492 VanDerWaalsContact O-CG 3.31Å; E488-R492 WeakPolarHBondContact O-CG 3.45Å; E488-R492 PolarHBondContact O-N 3.17Å; E488-R492 PolarHBondContact O-NE 2.92Å; A489-R492 PolarHBondContact O-N 3.26Å; A490-R492 VanDerWaalsContact C-N 3.28Å; A490-R492 PolarHBondContact O-N 3.45Å; R492-E494 VanDerWaalsContact C-N 3.32Å; R492-E494 PolarHBondContact O-N 2.89Å; R492-R495 PolarHBondContact O-N 2.93Å; R492-R495 VanDerWaalsContact O-N 3.12Å; R492-E496 WeakPolarHBondContact O-CB 3.48Å; R492-E496 PolarHBondContact O-N 3.31Å
493Q57.5Low59.1Low127 Ų127120.5 Ų120.559%0.59360%0.599SS**Hα-helixtrans-64.1-31.2-179.1-166.8170.2-2.400113.7A489 A490A489-Q493 WeakPolarHBondContact O-CB 3.45Å; A489-Q493 PolarHBondContact O-N 3.49Å; A489-Q493 VanDerWaalsContact O-N 3.09Å; A490-Q493 PolarHBondContact O-N 3.02Å
494E55.2Low58.1Low151 Ų151124.4 Ų124.471%0.70662%0.616SS**Hα-helixtrans-76.6-26.6175.6-159.1176.8-167.900112.9A490 R492A490-E494 PolarHBondContact O-N 3.18Å; R492-E494 VanDerWaalsContact C-N 3.32Å; R492-E494 PolarHBondContact O-N 2.89Å
495R57.7Low56.6Low181 Ų181126.8 Ų126.868%0.68363%0.629SS**Hα-helixtrans-88.4-23.7177.8-66.9177.6-176.7140.46.3113.1R492R492-R495 PolarHBondContact O-N 2.93Å; R492-R495 VanDerWaalsContact O-N 3.12Å
496E56.3Low55.5Low102 Ų102134.1 Ų134.148%0.47765%0.648SS.*Hα-helixtrans-78.9-32.9178.3-129.591.4-151.700113.2R492 V498 K499R492-E496 WeakPolarHBondContact O-CB 3.48Å; R492-E496 PolarHBondContact O-N 3.31Å; E496-V498 PolarHBondContact O-N 2.88Å; E496-K499 PolarHBondContact O-N 3.4Å
497Q52.9Low54.4Low144 Ų144139.4 Ų139.467%0.67366%0.663SS**THydrogen-bonded Turntrans-70.7-14.1-177.8-76.3-170.9-11.800114.5
498V57Low53.4Low128 Ų128140.7 Ų140.778%0.77667%0.673SS**THydrogen-bonded Turntrans-95.2-11.8178.5177.80000112.8E496E496-V498 PolarHBondContact O-N 2.88Å
499K58.8Low52.5Low164 Ų164142.1 Ų142.171%0.71369%0.688SS**THydrogen-bonded Turntrans-118.2-17.3-171.5-88.3-175.8175.7-178.90118.1E496E496-K499 PolarHBondContact O-N 3.4Å
500Q47.4Very low51.4Low128 Ų128144.7 Ų144.760%0.59870%0.704SS**SBendtrans-110.98.4-174.6-72.9-178.1-6.300115.9Q502 E503Q500-Q502 PolarHBondContact O-N 3Å; Q500-E503 PolarHBondContact O-N 3.38Å
501L54.8Low50.7Low167 Ų167147.3 Ų147.387%0.87471%0.714SS**THydrogen-bonded Turntrans-64.44.3159.5-105162.6000113.6
502Q52.3Low49.5Very low183 Ų183152.3 Ų152.386%0.85574%0.736SS**THydrogen-bonded Turntrans-119.4-1.3179.4-79.2-176.7-3500115.4Q500Q500-Q502 PolarHBondContact O-N 3Å
503E44.8Very low48.5Very low163 Ų163151.9 Ų151.976%0.76275%0.748SS**  trans-137.938.9-170.7-136.7139.2-149.400114.4Q500 Q505Q500-E503 PolarHBondContact O-N 3.38Å; E503-Q505 PolarHBondContact O-N 3.48Å
504L49.1Very low47.7Very low169 Ų169155 Ų15589%0.88576%0.763SS**  trans-84.534.1173.7-133.7170.7000112.9
505Q38.6Very low47Very low191 Ų191155 Ų15589%0.89377%0.767SS**SBendtrans-145.112-169.9-132.9173.84.600119E503E503-Q505 PolarHBondContact O-N 3.48Å
506R44Very low45.8Very low215 Ų215153.8 Ų153.881%0.81177%0.774SS**SBendtrans-126-28.6-175.5-138.7174.3177.8118.81.7121.2
507E44.3Very low44.8Very low169 Ų169157.6 Ų157.679%0.7979%0.785SS**  trans-129.941-165.7-66.1-169.9174.300116.8V509E507-V509 PolarHBondContact O-N 3.37Å
508L43.2Very low44.3Very low163 Ų163157.7 Ų157.785%0.85379%0.79SS**THydrogen-bonded Turntrans-68.46.5151.3-165.870.7000112.6
509V47.4Very low43.3Very low131 Ų131160.1 Ų160.179%0.79479%0.79SS**THydrogen-bonded Turntrans-101.4-6.3-174.21790000113.7E507E507-V509 PolarHBondContact O-N 3.37Å
510S38.7Very low42.1Very low101 Ų101156.8 Ų156.871%0.70678%0.783SS**  trans-95.4-3-176.7-170.80000115.3Q512S510-Q512 PolarHBondContact O-N 2.97Å; S510-Q512 VanDerWaalsContact O-N 3.17Å
511T47.1Very low41.5Very low107 Ų107156.5 Ų156.566%0.65679%0.79SS**THydrogen-bonded Turntrans-82.180.6169.951.80000109.8
512Q33Very low40.4Very low178 Ų178157.1 Ų157.183%0.83279%0.791SS**THydrogen-bonded Turntrans-172.410.3154-135.978.743.800119.4S510S510-Q512 PolarHBondContact O-N 2.97Å; S510-Q512 VanDerWaalsContact O-N 3.17Å
513T39.3Very low39.6Very low127 Ų127152.5 Ų152.578%0.77978%0.784SS**SBendtrans-14172.2178.959.50000114.6
514E39.5Very low39.3Very low194 Ų194150.2 Ų150.291%0.90779%0.786SS**  trans-160.351.5140.8-109.7169.1-143.100110.9D516E514-D516 VanDerWaalsContact C-N 3.28Å
515L40.6Very low38.8Very low151 Ų151146.7 Ų146.779%0.79178%0.776SS**  trans-872.9160.6-155.9133.6000111.7
516D32.7Very low38.9Very low155 Ų155145.9 Ų145.983%0.82977%0.772SS**  trans-114.444.5-174-83.5-20.6000114.5E514E514-D516 VanDerWaalsContact C-N 3.28Å
517Y34.3Very low38.7Very low181 Ų181144.4 Ų144.471%0.7177%0.774SS**  trans-132.545.5149.3-156.7-101.5000111.9T520Y517-T520 PolarHBondContact OH-OG1 3.03Å
518L44.4Very low38.7Very low147 Ų147141.5 Ų141.577%0.7777%0.772SS**  trans-77.8120.2150.9-115.4157.3000107.7
519K35.8Very low38.9Very low178 Ų178139 Ų13977%0.77477%0.769SS**  trans103.470.6162-58.8170.1173.6172.90118
520T32Very low39.1Very low94 Ų94140.1 Ų140.158%0.57777%0.765SS**  -156.383.3129.700000109.3Y517Y517-T520 PolarHBondContact OH-OG1 3.03Å
521T34.7Very low39.9Very low122 Ų122140.1 Ų140.175%0.74876%0.761SS**  71.6108.295.6-47.60000113.6
522M33.3Very low40.3Very low181 Ų181141.1 Ų141.189%0.89276%0.761SS**  trans82.2121.6138.9-119.9-176.2144.300122.7
523A35.6Very low41.6Very low86 Ų86134.5 Ų134.571%0.71174%0.741SS**  trans104.1105.7130.300000119.7
524S37.2Very low42.7Very low114 Ų114133 Ų13380%0.79773%0.732SS**  158.6112.9115.564.40000109.7
525S38.3Very low43.7Very low96 Ų96129.4 Ų129.467%0.67172%0.715SS**  77.9128.379.8-164.10000115.5
526Q41Very low45Very low174 Ų174127.2 Ų127.281%0.81370%0.703SS**  trans76.7101.8154.9-79.2154.2-53.500120.6
527Q40.5Very low47Very low184 Ų184124.4 Ų124.486%0.8669%0.692SS**  171.490117.5-96.1178.9-19.800110.8
528S44.6Very low48.8Very low107 Ų107118.3 Ų118.375%0.74868%0.679SS**SBendtrans-157.319.4157.575.30000114.7
529S46.2Very low50.1Low111 Ų111116.7 Ų116.778%0.77667%0.67SS**SBendtrans-96.9-3.6179.6-169.20000114.3
530E51.6Low51.8Low154 Ų154113.9 Ų113.972%0.7266%0.66SS**SBendtrans-96.3-20.9-176.9-82.7175.4154.300114.6T534E530-T534 PolarHBondContact O-OG1 3.38Å
531V56.6Low53.9Low102 Ų102112.7 Ų112.762%0.61866%0.655SS**Hα-helixtrans-87.1-28-175.8-179.60000113.2T534V531-T534 PolarHBondContact O-OG1 2.98Å
532L55.3Low56Low127 Ų127112.3 Ų112.367%0.66565%0.645SS**Hα-helixtrans-82.2-27.8176.5-77.5163.5000112.8L536L532-L536 PolarHBondContact O-N 3.48Å
533G59.4Low58Low39 Ų39110.7 Ų110.740%0.40263%0.633SS.*Hα-helixtrans-69-36.8176.300000113.3V537G533-V537 WeakPolarHBondContact O-CG2 3.31Å; G533-V537 PolarHBondContact O-N 3.11Å
534T62.3Low60.1Low96 Ų96109.4 Ų109.459%0.58962%0.623SS**Hα-helixtrans-72.8-30.417946.50000113.5E530 V531 A538E530-T534 PolarHBondContact O-OG1 3.38Å; V531-T534 PolarHBondContact O-OG1 2.98Å; T534-A538 WeakPolarHBondContact O-CB 3.5Å; T534-A538 PolarHBondContact O-N 3.15Å
535Q62.1Low62.1Low118 Ų118110.5 Ų110.555%0.55162%0.615SS**Hα-helixtrans-76.7-30.7176.9-72.1-178.6-11.600112.6L539Q535-L539 WeakPolarHBondContact O-CG 3.29Å; Q535-L539 PolarHBondContact O-N 3.16Å
536L67.3Low64Low105 Ų105110.9 Ų110.955%0.5561%0.609SS.*Hα-helixtrans-74.2-39.8178.9-136.1153.1000111.7L532 L539 E540L532-L536 PolarHBondContact O-N 3.48Å; L536-L539 PolarHBondContact O-N 3.3Å; L536-E540 HydrophobicContact CD2-CG 4.32Å; L536-E540 WeakPolarHBondContact O-CB 3.49Å; L536-E540 WeakPolarHBondContact O-CG 3.42Å; L536-E540 PolarHBondContact O-N 3.32Å
537V74.5Confident66Low97 Ų97106.9 Ų106.959%0.58860%0.596SS**Hα-helixtrans-67.8-37.4175.3174.20000112.1G533 E540 S541G533-V537 WeakPolarHBondContact O-CG2 3.31Å; G533-V537 PolarHBondContact O-N 3.11Å; V537-E540 PolarHBondContact O-N 3.5Å; V537-S541 PolarHBondContact O-N 2.93Å
538A71.8Confident67.9Low52 Ų52104.8 Ų104.843%0.4359%0.586SS.*Hα-helixtrans-63.9-45.6175.800000111.7T534 S541 E542T534-A538 WeakPolarHBondContact O-CB 3.5Å; T534-A538 PolarHBondContact O-N 3.15Å; A538-S541 PolarHBondContact O-N 2.95Å; A538-S541 PolarHBondContact O-OG 3.15Å; A538-E542 PolarHBondContact O-N 2.98Å
539L71.6Confident69.7Low114 Ų114103.4 Ų103.460%0.59757%0.574SS**Hα-helixtrans-68.2-32.9177.1-75.1168000113.1Q535 L536 K543Q535-L539 WeakPolarHBondContact O-CG 3.29Å; Q535-L539 PolarHBondContact O-N 3.16Å; L536-L539 PolarHBondContact O-N 3.3Å; L539-K543 VanDerWaalsContact O-CB 3.3Å; L539-K543 WeakPolarHBondContact O-CB 3.36Å; L539-K543 PolarHBondContact O-N 3.14Å
540E72.7Confident71.3Confident119 Ų119102.8 Ų102.856%0.55656%0.561SS**Hα-helixtrans-67.6-36172.3-80.6178.9156.600112.2L536 V537 A544L536-E540 HydrophobicContact CD2-CG 4.32Å; L536-E540 WeakPolarHBondContact O-CB 3.49Å; L536-E540 WeakPolarHBondContact O-CG 3.42Å; L536-E540 PolarHBondContact O-N 3.32Å; V537-E540 PolarHBondContact O-N 3.5Å; E540-A544 WeakPolarHBondContact O-CB 3.18Å; E540-A544 PolarHBondContact O-N 2.84Å
541S75.5Confident72.7Confident69 Ų6998.4 Ų98.448%0.48355%0.548SS..Hα-helixtrans-68.5-40.917576.40000112.7V537 A538 A544 E545V537-S541 PolarHBondContact O-N 2.93Å; A538-S541 PolarHBondContact O-N 2.95Å; A538-S541 PolarHBondContact O-OG 3.15Å; S541-A544 PolarHBondContact O-N 3Å; S541-E545 PolarHBondContact O-N 2.98Å
542E77.9Confident73.8Confident113 Ų113100 Ų10053%0.52855%0.546SS..Hα-helixtrans-69.6-36.4178.8-159.7176.1-16500111.4A538 E545 L546A538-E542 PolarHBondContact O-N 2.98Å; E542-E545 PolarHBondContact O-N 3.15Å; E542-L546 WeakPolarHBondContact O-CB 3.48Å; E542-L546 WeakPolarHBondContact O-CG 3.44Å; E542-L546 PolarHBondContact O-N 3.04Å
543K77.1Confident75Confident147 Ų14797.9 Ų97.964%0.63954%0.539SS*.Hα-helixtrans-63.2-40.1171.1-176.7-178.7176.4-176.90112L539 L546 V547L539-K543 VanDerWaalsContact O-CB 3.3Å; L539-K543 WeakPolarHBondContact O-CB 3.36Å; L539-K543 PolarHBondContact O-N 3.14Å; K543-L546 PolarHBondContact O-N 2.97Å; K543-V547 VanDerWaalsContact O-CG2 3.28Å; K543-V547 WeakPolarHBondContact O-CG2 3.03Å; K543-V547 PolarHBondContact O-N 3.21Å
544A77.9Confident75.9Confident60 Ų60102 Ų10250%0.49655%0.547SS..Hα-helixtrans-66.8-42.4178.300000112E540 S541 V547 Q548E540-A544 WeakPolarHBondContact O-CB 3.18Å; E540-A544 PolarHBondContact O-N 2.84Å; S541-A544 PolarHBondContact O-N 3Å; A544-V547 PolarHBondContact O-N 3.24Å; A544-Q548 PolarHBondContact O-N 2.86Å
545E79.4Confident76.8Confident137 Ų137100.1 Ų100.164%0.6454%0.542SS*.Hα-helixtrans-64.2-41.6174.3-77.6-171.4160.200112.1S541 E542 V547 Q548 T549S541-E545 PolarHBondContact O-N 2.98Å; E542-E545 PolarHBondContact O-N 3.15Å; E545-V547 PolarHBondContact O-N 2.84Å; E545-Q548 PolarHBondContact O-N 3.29Å; E545-T549 WeakPolarHBondContact O-CG2 3.38Å; E545-T549 PolarHBondContact O-N 2.66Å; E545-T549 PolarHBondContact O-OG1 3.24Å
546L78.9Confident77.8Confident104 Ų10499.3 Ų99.355%0.54554%0.538SS..Hα-helixtrans-62.8-41176.1-81.3165.3000112.3E542 K543 Q548 T549 L550E542-L546 WeakPolarHBondContact O-CB 3.48Å; E542-L546 WeakPolarHBondContact O-CG 3.44Å; E542-L546 PolarHBondContact O-N 3.04Å; K543-L546 PolarHBondContact O-N 2.97Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 3.26Å; L546-T549 WeakPolarHBondContact CA-OG1 3.21Å; L546-T549 PolarHBondContact O-N 3.1Å; L546-T549 PolarHBondContact O-OG1 3.21Å; L546-L550 WeakPolarHBondContact O-CB 3.03Å; L546-L550 PolarHBondContact O-N 3.29Å
547V82.9Confident78.4Confident90 Ų90100.1 Ų100.155%0.54554%0.542SS..Hα-helixtrans-66-36.3175.71700000111.6K543 A544 E545 L550 S551K543-V547 VanDerWaalsContact O-CG2 3.28Å; K543-V547 WeakPolarHBondContact O-CG2 3.03Å; K543-V547 PolarHBondContact O-N 3.21Å; A544-V547 PolarHBondContact O-N 3.24Å; E545-V547 PolarHBondContact O-N 2.84Å; V547-L550 PolarHBondContact O-N 3.16Å; V547-S551 PolarHBondContact O-N 3.38Å; V547-S551 PolarHBondContact O-OG 3.44Å
548Q80.8Confident78.8Confident139 Ų13998.3 Ų98.365%0.6554%0.537SS*.Hα-helixtrans-69.6-38.6176.6-167.3177.16.400112.2A544 E545 L546 S551 K552A544-Q548 PolarHBondContact O-N 2.86Å; E545-Q548 PolarHBondContact O-N 3.29Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 3.26Å; Q548-S551 PolarHBondContact O-OG 3.03Å; Q548-K552 PolarHBondContact O-N 3.22Å
549T82.1Confident79.5Confident79 Ų79100.1 Ų100.149%0.48554%0.543SS..Hα-helixtrans-69.4-38174.457.10000112.3E545 L546 K552 V553E545-T549 WeakPolarHBondContact O-CG2 3.38Å; E545-T549 PolarHBondContact O-N 2.66Å; E545-T549 PolarHBondContact O-OG1 3.24Å; L546-T549 WeakPolarHBondContact CA-OG1 3.21Å; L546-T549 PolarHBondContact O-N 3.1Å; L546-T549 PolarHBondContact O-OG1 3.21Å; T549-K552 PolarHBondContact O-N 2.97Å; T549-V553 WeakPolarHBondContact O-CG2 3.42Å; T549-V553 PolarHBondContact O-N 2.92Å
550L79.6Confident80Confident97 Ų97101 Ų10151%0.50854%0.544SS..Hα-helixtrans-60.9-47.4174-112.1155.9000111.8L546 V547 K552 V553 E554L546-L550 WeakPolarHBondContact O-CB 3.03Å; L546-L550 PolarHBondContact O-N 3.29Å; V547-L550 PolarHBondContact O-N 3.16Å; L550-K552 VanDerWaalsContact C-N 3.27Å; L550-K552 PolarHBondContact O-N 3.27Å; L550-V553 PolarHBondContact O-N 3.04Å; L550-E554 WeakPolarHBondContact O-CB 3.5Å; L550-E554 WeakPolarHBondContact O-CG 3.34Å; L550-E554 PolarHBondContact O-N 3.19Å
551S80.3Confident80.5Confident63 Ų6397 Ų9744%0.44154%0.535SS..Hα-helixtrans-64.5-32.3178.665.90000112.7V547 Q548 A555V547-S551 PolarHBondContact O-N 3.38Å; V547-S551 PolarHBondContact O-OG 3.44Å; Q548-S551 PolarHBondContact O-OG 3.03Å; S551-A555 WeakPolarHBondContact O-CB 3.37Å; S551-A555 PolarHBondContact O-N 3.48Å
552K80.5Confident80.9Confident134 Ų134100.7 Ų100.758%0.58355%0.545SS*.Hα-helixtrans-67.6-43.8173-171.6-179.9175-172.70112.1Q548 T549 L550 A555 E556Q548-K552 PolarHBondContact O-N 3.22Å; T549-K552 PolarHBondContact O-N 2.97Å; L550-K552 VanDerWaalsContact C-N 3.27Å; L550-K552 PolarHBondContact O-N 3.27Å; K552-A555 PolarHBondContact O-N 3.08Å; K552-E556 WeakPolarHBondContact CE-OE1 3.44Å; K552-E556 WeakPolarHBondContact O-CG 3.38Å; K552-E556 PolarHBondContact O-N 3.48Å
553V80.3Confident81.3Confident84 Ų84101.3 Ų101.351%0.50955%0.547SS..Hα-helixtrans-66.2-39176.9172.20000111.2T549 L550 A555 E556 L557T549-V553 WeakPolarHBondContact O-CG2 3.42Å; T549-V553 PolarHBondContact O-N 2.92Å; L550-V553 PolarHBondContact O-N 3.04Å; V553-A555 VanDerWaalsContact C-N 3.35Å; V553-E556 PolarHBondContact O-N 3.14Å; V553-L557 WeakPolarHBondContact O-CB 3.31Å; V553-L557 PolarHBondContact O-N 3.47Å
554E78.9Confident81.5Confident125 Ų12599.3 Ų99.358%0.58454%0.543SS*.Hα-helixtrans-62.9-40.4174.9-74.6175164.800112L550 L557 A558L550-E554 WeakPolarHBondContact O-CB 3.5Å; L550-E554 WeakPolarHBondContact O-CG 3.34Å; L550-E554 PolarHBondContact O-N 3.19Å; E554-L557 PolarHBondContact O-N 2.93Å; E554-A558 PolarHBondContact O-N 2.99Å
555A81.6Confident81.8Confident57 Ų57103 Ų10347%0.47155%0.55SS.*Hα-helixtrans-66.3-42.3174.400000112.4S551 K552 V553 L557 A558 V559S551-A555 WeakPolarHBondContact O-CB 3.37Å; S551-A555 PolarHBondContact O-N 3.48Å; K552-A555 PolarHBondContact O-N 3.08Å; V553-A555 VanDerWaalsContact C-N 3.35Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.12Å; A555-A558 PolarHBondContact O-N 2.9Å; A555-V559 WeakPolarHBondContact O-CG2 3.32Å; A555-V559 PolarHBondContact O-N 3.23Å; A555-V559 VanDerWaalsContact O-N 3.13Å
556E82.2Confident82.2Confident101 Ų101106 Ų10647%0.47256%0.555SS.*Hα-helixtrans-64.7-37.1175.7-73.5174.3-171.500111.9K552 V553 V559 Q560K552-E556 WeakPolarHBondContact CE-OE1 3.44Å; K552-E556 WeakPolarHBondContact O-CG 3.38Å; K552-E556 PolarHBondContact O-N 3.48Å; V553-E556 PolarHBondContact O-N 3.14Å; E556-V559 PolarHBondContact O-N 3.27Å; E556-Q560 WeakPolarHBondContact O-CG 2.96Å; E556-Q560 PolarHBondContact O-N 3.35Å
557L80.3Confident82.3Confident122 Ų122105.4 Ų105.464%0.63956%0.556SS**Hα-helixtrans-67.2-38.2176.1-155.492.2000112V553 E554 A555 Q560 G561V553-L557 WeakPolarHBondContact O-CB 3.31Å; V553-L557 PolarHBondContact O-N 3.47Å; E554-L557 PolarHBondContact O-N 2.93Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.12Å; L557-Q560 PolarHBondContact O-N 3.17Å; L557-G561 PolarHBondContact O-N 2.61Å
558A82.9Confident82.3Confident59 Ų59106.8 Ų106.849%0.48856%0.557SS.*Hα-helixtrans-63.9-44.4175.400000111.7E554 A555 G561 E562E554-A558 PolarHBondContact O-N 2.99Å; A555-A558 PolarHBondContact O-N 2.9Å; A558-G561 PolarHBondContact O-N 3.33Å; A558-E562 PolarHBondContact O-N 3.04Å
559V86.1Confident82.4Confident89 Ų89103.3 Ų103.354%0.53955%0.548SS..Hα-helixtrans-63.1-44.3176.41740000111.4A555 E556 G561 E562 E563A555-V559 WeakPolarHBondContact O-CG2 3.32Å; A555-V559 PolarHBondContact O-N 3.23Å; A555-V559 VanDerWaalsContact O-N 3.13Å; E556-V559 PolarHBondContact O-N 3.27Å; V559-G561 VanDerWaalsContact C-N 3.29Å; V559-G561 PolarHBondContact O-N 2.97Å; V559-E562 PolarHBondContact O-N 3.29Å; V559-E563 PolarHBondContact O-N 2.82Å
560Q82.4Confident82.5Confident133 Ų133102.6 Ų102.662%0.62155%0.546SS*.Hα-helixtrans-65.1-32.7175.1-74.2-170-6.900112.7E556 L557 E563 L564E556-Q560 WeakPolarHBondContact O-CG 2.96Å; E556-Q560 PolarHBondContact O-N 3.35Å; L557-Q560 PolarHBondContact O-N 3.17Å; Q560-E563 PolarHBondContact O-N 3.46Å; Q560-L564 WeakPolarHBondContact O-CB 3.35Å; Q560-L564 PolarHBondContact O-N 2.94Å
561G82.6Confident82.7Confident36 Ų36102.2 Ų102.237%0.37154%0.544SS..Hα-helixtrans-62.9-45.8173.800000112.6L557 A558 V559 L564 Q565L557-G561 PolarHBondContact O-N 2.61Å; A558-G561 PolarHBondContact O-N 3.33Å; V559-G561 VanDerWaalsContact C-N 3.29Å; V559-G561 PolarHBondContact O-N 2.97Å; G561-L564 PolarHBondContact O-N 3.33Å; G561-Q565 PolarHBondContact O-N 2.78Å; G561-Q565 VanDerWaalsContact O-N 3.08Å
562E85.2Confident82.8Confident146 Ų146102 Ų10268%0.68255%0.546SS*.Hα-helixtrans-64.3-41175.4-71.5-176.2174.100112A558 V559 Q565 R566A558-E562 PolarHBondContact O-N 3.04Å; V559-E562 PolarHBondContact O-N 3.29Å; E562-Q565 PolarHBondContact O-N 3.01Å; E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.05Å
563E84.4Confident82.9Confident126 Ų12699.7 Ų99.759%0.58954%0.543SS*.Hα-helixtrans-67.5-39.6179.1-163.8161.9-161.900112V559 Q560 Q565 R566 V567V559-E563 PolarHBondContact O-N 2.82Å; Q560-E563 PolarHBondContact O-N 3.46Å; E563-Q565 PolarHBondContact O-N 2.84Å; E563-R566 PolarHBondContact O-N 2.85Å; E563-V567 WeakPolarHBondContact O-CG2 3.26Å; E563-V567 PolarHBondContact O-N 3.37Å
564L82.3Confident82.7Confident105 Ų105101.8 Ų101.855%0.5555%0.547SS..Hα-helixtrans-61.9-43.4173.2-17471.1000111.6Q560 G561 R566 V567 Q568Q560-L564 WeakPolarHBondContact O-CB 3.35Å; Q560-L564 PolarHBondContact O-N 2.94Å; G561-L564 PolarHBondContact O-N 3.33Å; L564-R566 VanDerWaalsContact C-N 3.32Å; L564-R566 PolarHBondContact O-N 3.5Å; L564-V567 PolarHBondContact O-N 3.3Å; L564-Q568 WeakPolarHBondContact O-CB 3.28Å; L564-Q568 WeakPolarHBondContact O-CG 3.27Å; L564-Q568 PolarHBondContact O-N 3.48Å
565Q84.9Confident82.8Confident138 Ų138104.2 Ų104.265%0.64555%0.551SS**Hα-helixtrans-66.9-35178.9-165.5165.84.500111.8G561 E562 E563 S569G561-Q565 PolarHBondContact O-N 2.78Å; G561-Q565 VanDerWaalsContact O-N 3.08Å; E562-Q565 PolarHBondContact O-N 3.01Å; E563-Q565 PolarHBondContact O-N 2.84Å; Q565-S569 PolarHBondContact O-N 3.04Å; Q565-S569 PolarHBondContact O-OG 3.05Å
566R86.4Confident82.8Confident198 Ų198106.7 Ų106.775%0.74755%0.553SS**Hα-helixtrans-66.7-41.7172.9-169.1179.9174.9172.9-1.1112.5E562 E563 L564 S569 S570E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.05Å; E563-R566 PolarHBondContact O-N 2.85Å; L564-R566 VanDerWaalsContact C-N 3.32Å; L564-R566 PolarHBondContact O-N 3.5Å; R566-S569 WeakPolarHBondContact CA-OG 3.38Å; R566-S569 PolarHBondContact O-OG 2.82Å; R566-S570 WeakPolarHBondContact O-CB 3.48Å; R566-S570 PolarHBondContact O-N 3.27Å
567V82.8Confident82.6Confident92 Ų92104.8 Ų104.856%0.55855%0.551SS**Hα-helixtrans-68.3-39.9176.4172.60000111.3E563 L564 S570 L571E563-V567 WeakPolarHBondContact O-CG2 3.26Å; E563-V567 PolarHBondContact O-N 3.37Å; L564-V567 PolarHBondContact O-N 3.3Å; V567-S570 PolarHBondContact O-N 3.09Å; V567-L571 WeakPolarHBondContact O-CB 3.4Å; V567-L571 PolarHBondContact O-N 2.67Å
568Q81.3Confident82.5Confident120 Ų120100.5 Ų100.556%0.56154%0.537SS*.Hα-helixtrans-63.6-41.5176.7-77.4-179.7-8.300112.7L564 L571 A572L564-Q568 WeakPolarHBondContact O-CB 3.28Å; L564-Q568 WeakPolarHBondContact O-CG 3.27Å; L564-Q568 PolarHBondContact O-N 3.48Å; Q568-L571 PolarHBondContact O-N 2.71Å; Q568-A572 WeakPolarHBondContact O-CB 3.21Å; Q568-A572 PolarHBondContact O-N 3.12Å
569S82.9Confident82.5Confident66 Ų66101.7 Ų101.746%0.46254%0.537SS..Hα-helixtrans-66.5-42175.348.30000112.1Q565 R566 L571 A572 T573Q565-S569 PolarHBondContact O-N 3.04Å; Q565-S569 PolarHBondContact O-OG 3.05Å; R566-S569 WeakPolarHBondContact CA-OG 3.38Å; R566-S569 PolarHBondContact O-OG 2.82Å; S569-L571 PolarHBondContact O-N 3.08Å; S569-A572 PolarHBondContact O-N 3.3Å; S569-T573 PolarHBondContact O-N 2.93Å; S569-T573 PolarHBondContact O-OG1 2.98Å
570S84.5Confident82.4Confident64 Ų64103 Ų10345%0.44854%0.536SS..Hα-helixtrans-59.8-45173.9-167.40000112.3R566 V567 A572 T573 E574R566-S570 WeakPolarHBondContact O-CB 3.48Å; R566-S570 PolarHBondContact O-N 3.27Å; V567-S570 PolarHBondContact O-N 3.09Å; S570-A572 VanDerWaalsContact C-N 3.33Å; S570-A572 PolarHBondContact O-N 3.28Å; S570-T573 WeakPolarHBondContact CA-OG1 3.3Å; S570-T573 PolarHBondContact O-N 3.08Å; S570-T573 PolarHBondContact O-OG1 2.95Å; S570-E574 WeakPolarHBondContact O-CB 3.35Å; S570-E574 PolarHBondContact O-N 3.22Å
571L84.1Confident82.2Confident88 Ų88100.6 Ų100.646%0.46153%0.53SS..Hα-helixtrans-65.5-36.7178.2-175.466.6000112.1V567 Q568 S569 E574 R575V567-L571 WeakPolarHBondContact O-CB 3.4Å; V567-L571 PolarHBondContact O-N 2.67Å; Q568-L571 PolarHBondContact O-N 2.71Å; S569-L571 PolarHBondContact O-N 3.08Å; L571-E574 PolarHBondContact O-N 3.25Å; L571-R575 WeakPolarHBondContact O-CB 3.12Å; L571-R575 WeakPolarHBondContact O-CG 3.29Å; L571-R575 PolarHBondContact O-N 3.05Å
572A81.9Confident81.8Confident59 Ų59101.6 Ų101.649%0.48854%0.535SS..Hα-helixtrans-64.6-44.8175.200000111.4Q568 S569 S570 E574 R575 E576Q568-A572 WeakPolarHBondContact O-CB 3.21Å; Q568-A572 PolarHBondContact O-N 3.12Å; S569-A572 PolarHBondContact O-N 3.3Å; S570-A572 VanDerWaalsContact C-N 3.33Å; S570-A572 PolarHBondContact O-N 3.28Å; A572-E574 VanDerWaalsContact C-N 3.33Å; A572-E574 PolarHBondContact O-N 3.47Å; A572-R575 PolarHBondContact O-N 2.83Å; A572-E576 PolarHBondContact O-N 3.41Å
573T82.6Confident81.7Confident85 Ų85100.2 Ų100.252%0.52153%0.529SS..Hα-helixtrans-64-38.3176.250.10000112.5S569 S570 E576 S577S569-T573 PolarHBondContact O-N 2.93Å; S569-T573 PolarHBondContact O-OG1 2.98Å; S570-T573 WeakPolarHBondContact CA-OG1 3.3Å; S570-T573 PolarHBondContact O-N 3.08Å; S570-T573 PolarHBondContact O-OG1 2.95Å; T573-E576 PolarHBondContact O-N 3.5Å; T573-S577 PolarHBondContact O-N 2.91Å; T573-S577 PolarHBondContact O-OG 3.4Å
574E77.3Confident81.5Confident128 Ų12896.4 Ų96.460%0.59852%0.519SS*.Hα-helixtrans-71.8-37.6-179.1-162.4159.2-176.500111.6S570 L571 A572 S577 G578S570-E574 WeakPolarHBondContact O-CB 3.35Å; S570-E574 PolarHBondContact O-N 3.22Å; L571-E574 PolarHBondContact O-N 3.25Å; A572-E574 VanDerWaalsContact C-N 3.33Å; A572-E574 PolarHBondContact O-N 3.47Å; E574-S577 WeakPolarHBondContact CA-OG 3.34Å; E574-S577 PolarHBondContact O-N 3.4Å; E574-S577 PolarHBondContact O-OG 3.12Å; E574-G578 PolarHBondContact O-N 3.15Å
575R79.4Confident81.4Confident176 Ų17696.7 Ų96.766%0.66452%0.52SS*.Hα-helixtrans-62-44.6169.7-78.7-178.9175.9-176.9-0.2112.2L571 A572 G578 V579L571-R575 WeakPolarHBondContact O-CB 3.12Å; L571-R575 WeakPolarHBondContact O-CG 3.29Å; L571-R575 PolarHBondContact O-N 3.05Å; A572-R575 PolarHBondContact O-N 2.83Å; R575-G578 PolarHBondContact O-N 3.43Å; R575-V579 WeakPolarHBondContact O-CG2 3.45Å; R575-V579 PolarHBondContact O-N 3.48Å
576E82.6Confident81.1Confident109 Ų10994.9 Ų94.951%0.50951%0.512SS..Hα-helixtrans-64.4-41.1178-165.7-172.915500111.4A572 T573 G578 V579 K580A572-E576 PolarHBondContact O-N 3.41Å; T573-E576 PolarHBondContact O-N 3.5Å; E576-G578 VanDerWaalsContact C-N 3.35Å; E576-V579 PolarHBondContact O-N 3.1Å; E576-K580 WeakPolarHBondContact O-CG 3.09Å; E576-K580 PolarHBondContact O-N 3.09Å; E576-K580 VanDerWaalsContact O-N 3.1Å; E576-K580 WeakPolarHBondContact OE1-CE 3.3Å; E576-K580 IonicContact OE1-NZ 3.77Å; E576-K580 PolarHBondContact OE1-NZ 3.23Å
577S78Confident80.9Confident61 Ų6190 Ų9043%0.42750%0.501SS..Hα-helixtrans-64.2-39.417361.20000112.4T573 E574 K580 T581T573-S577 PolarHBondContact O-N 2.91Å; T573-S577 PolarHBondContact O-OG 3.4Å; E574-S577 WeakPolarHBondContact CA-OG 3.34Å; E574-S577 PolarHBondContact O-N 3.4Å; E574-S577 PolarHBondContact O-OG 3.12Å; S577-K580 PolarHBondContact O-N 3.1Å; S577-T581 WeakPolarHBondContact O-CG2 3.45Å; S577-T581 PolarHBondContact O-N 2.85Å; S577-T581 PolarHBondContact O-OG1 3.19Å
578G77.4Confident80.6Confident33 Ų3390.9 Ų90.934%0.3450%0.499SS..Hα-helixtrans-62-44.6177.100000112.5E574 R575 E576 T581 A582E574-G578 PolarHBondContact O-N 3.15Å; R575-G578 PolarHBondContact O-N 3.43Å; E576-G578 VanDerWaalsContact C-N 3.35Å; G578-T581 WeakPolarHBondContact CA-OG1 3.46Å; G578-T581 PolarHBondContact O-N 2.84Å; G578-T581 PolarHBondContact O-OG1 3.31Å; G578-A582 WeakPolarHBondContact O-CB 3.48Å; G578-A582 PolarHBondContact O-N 3Å
579V83.5Confident80.5Confident83 Ų8390 Ų9050%0.50350%0.497SS..Hα-helixtrans-61.4-46.9175.5172.90000110.9R575 E576 T581 A582 E583R575-V579 WeakPolarHBondContact O-CG2 3.45Å; R575-V579 PolarHBondContact O-N 3.48Å; E576-V579 PolarHBondContact O-N 3.1Å; V579-T581 VanDerWaalsContact C-N 3.31Å; V579-T581 PolarHBondContact O-N 3.39Å; V579-A582 PolarHBondContact O-N 3.18Å; V579-A582 VanDerWaalsContact O-N 3.15Å; V579-E583 HydrophobicContact CG1-CG 4.47Å; V579-E583 WeakPolarHBondContact O-CG 3.38Å; V579-E583 PolarHBondContact O-N 3.15Å
580K82.9Confident80.4Confident117 Ų11790.5 Ų90.551%0.50950%0.495SS..Hα-helixtrans-59.9-39.9176.8-72.2174.8-174.61670112.4E576 S577 A584E576-K580 WeakPolarHBondContact O-CG 3.09Å; E576-K580 PolarHBondContact O-N 3.09Å; E576-K580 VanDerWaalsContact O-N 3.1Å; E576-K580 WeakPolarHBondContact OE1-CE 3.3Å; E576-K580 IonicContact OE1-NZ 3.77Å; E576-K580 PolarHBondContact OE1-NZ 3.23Å; S577-K580 PolarHBondContact O-N 3.1Å; K580-A584 WeakPolarHBondContact O-CB 3.39Å; K580-A584 PolarHBondContact O-N 3.41Å
581T79.4Confident80.3Confident83 Ų8393.7 Ų93.751%0.50950%0.503SS..Hα-helixtrans-68-37.8176.155.50000112.7S577 G578 V579 A584 L585S577-T581 WeakPolarHBondContact O-CG2 3.45Å; S577-T581 PolarHBondContact O-N 2.85Å; S577-T581 PolarHBondContact O-OG1 3.19Å; G578-T581 WeakPolarHBondContact CA-OG1 3.46Å; G578-T581 PolarHBondContact O-N 2.84Å; G578-T581 PolarHBondContact O-OG1 3.31Å; V579-T581 VanDerWaalsContact C-N 3.31Å; V579-T581 PolarHBondContact O-N 3.39Å; T581-A584 PolarHBondContact O-N 3.02Å; T581-L585 WeakPolarHBondContact O-CG 3.48Å; T581-L585 PolarHBondContact O-N 3.38Å
582A73.3Confident80Confident57 Ų5796.8 Ų96.847%0.47151%0.512SS..Hα-helixtrans-67.4-42.2177.200000111.8G578 V579 L585 Q586G578-A582 WeakPolarHBondContact O-CB 3.48Å; G578-A582 PolarHBondContact O-N 3Å; V579-A582 PolarHBondContact O-N 3.18Å; V579-A582 VanDerWaalsContact O-N 3.15Å; A582-L585 PolarHBondContact O-N 3.03Å; A582-Q586 WeakPolarHBondContact O-CB 3.25Å; A582-Q586 PolarHBondContact O-N 3.12Å
583E83.4Confident79.7Confident117 Ų11799 Ų9955%0.54751%0.512SS..Hα-helixtrans-62.1-42.4173.8-72.5176170.600111.8V579 L585 Q586 N587V579-E583 HydrophobicContact CG1-CG 4.47Å; V579-E583 WeakPolarHBondContact O-CG 3.38Å; V579-E583 PolarHBondContact O-N 3.15Å; E583-L585 PolarHBondContact O-N 3.29Å; E583-Q586 PolarHBondContact O-N 3.26Å; E583-N587 VanDerWaalsContact O-CG 3.29Å; E583-N587 PolarHBondContact O-N 3.42Å; E583-N587 PolarHBondContact O-ND2 3.09Å
584A80.6Confident79.7Confident46 Ų4698.1 Ų98.138%0.3851%0.51SS..Hα-helixtrans-62.3-42.7176.100000112.4K580 T581 N587 Q588K580-A584 WeakPolarHBondContact O-CB 3.39Å; K580-A584 PolarHBondContact O-N 3.41Å; T581-A584 PolarHBondContact O-N 3.02Å; A584-N587 PolarHBondContact O-N 3.2Å; A584-Q588 WeakPolarHBondContact O-CG 3.32Å; A584-Q588 PolarHBondContact O-N 3.13Å
585L79.5Confident80Confident111 Ų111100.6 Ų100.658%0.58151%0.514SS*.Hα-helixtrans-67.3-38.8176.6-72.8171.5000112.3T581 A582 E583 Q588 L589T581-L585 WeakPolarHBondContact O-CG 3.48Å; T581-L585 PolarHBondContact O-N 3.38Å; A582-L585 PolarHBondContact O-N 3.03Å; E583-L585 PolarHBondContact O-N 3.29Å; L585-Q588 PolarHBondContact O-N 2.91Å; L585-L589 PolarHBondContact O-N 2.88Å
586Q78.3Confident79.9Confident100 Ų10097.9 Ų97.947%0.46751%0.509SS..Hα-helixtrans-64.4-40.8176-173.762.450.700111.7A582 E583 L589 N590A582-Q586 WeakPolarHBondContact O-CB 3.25Å; A582-Q586 PolarHBondContact O-N 3.12Å; E583-Q586 PolarHBondContact O-N 3.26Å; Q586-L589 PolarHBondContact O-N 3.36Å; Q586-N590 PolarHBondContact NE2-OD1 3.46Å; Q586-N590 VanDerWaalsContact NE2-OD1 3.08Å; Q586-N590 VanDerWaalsContact O-CG 3.26Å; Q586-N590 PolarHBondContact O-N 3.46Å; Q586-N590 PolarHBondContact O-OD1 3.06Å
587N82.8Confident80Confident96 Ų9697.8 Ų97.851%0.51351%0.508SS..Hα-helixtrans-64.2-43.2175.1-70.9-21.9000111.5E583 A584 L589 N590 E591E583-N587 VanDerWaalsContact O-CG 3.29Å; E583-N587 PolarHBondContact O-N 3.42Å; E583-N587 PolarHBondContact O-ND2 3.09Å; A584-N587 PolarHBondContact O-N 3.2Å; N587-L589 VanDerWaalsContact C-N 3.29Å; N587-L589 PolarHBondContact O-N 2.89Å; N587-N590 PolarHBondContact O-N 3.28Å; N587-E591 WeakPolarHBondContact O-CB 3.46Å; N587-E591 WeakPolarHBondContact O-CG 3.43Å; N587-E591 PolarHBondContact O-N 3.06Å
588Q77.3Confident80.3Confident110 Ų11097.1 Ų97.151%0.51451%0.506SS..Hα-helixtrans-61.7-36.1174.9-74.3179.511.100112.7A584 L585 K592A584-Q588 WeakPolarHBondContact O-CG 3.32Å; A584-Q588 PolarHBondContact O-N 3.13Å; L585-Q588 PolarHBondContact O-N 2.91Å; Q588-K592 WeakPolarHBondContact O-CG 3.48Å; Q588-K592 PolarHBondContact O-N 3.41Å
589L78.1Confident80.7Confident102 Ų102100 Ų10053%0.53451%0.513SS..Hα-helixtrans-66.2-47.1176.3-173.166.5000111.2L585 Q586 N587 E591 K592 E593L585-L589 PolarHBondContact O-N 2.88Å; Q586-L589 PolarHBondContact O-N 3.36Å; N587-L589 VanDerWaalsContact C-N 3.29Å; N587-L589 PolarHBondContact O-N 2.89Å; L589-E591 VanDerWaalsContact C-N 3.32Å; L589-E591 PolarHBondContact O-N 3.31Å; L589-K592 PolarHBondContact O-N 2.9Å; L589-K592 VanDerWaalsContact O-N 3.14Å; L589-E593 PolarHBondContact O-N 3.42Å
590N81.1Confident80.6Confident75 Ų75101.6 Ų101.640%0.40152%0.515SS..Hα-helixtrans-62.3-39.3177.3-64.2-10000111.7Q586 N587 E593 S594Q586-N590 PolarHBondContact NE2-OD1 3.46Å; Q586-N590 VanDerWaalsContact NE2-OD1 3.08Å; Q586-N590 VanDerWaalsContact O-CG 3.26Å; Q586-N590 PolarHBondContact O-N 3.46Å; Q586-N590 PolarHBondContact O-OD1 3.06Å; N587-N590 PolarHBondContact O-N 3.28Å; N590-E593 PolarHBondContact O-N 3.46Å; N590-S594 WeakPolarHBondContact O-CB 3.43Å; N590-S594 PolarHBondContact O-N 3Å; N590-S594 PolarHBondContact O-OG 3.44Å
591E81.9Confident80.8Confident132 Ų132100 Ų10062%0.61752%0.519SS*.Hα-helixtrans-63-40.5173.6-77.4178.3-17700112N587 L589 S594 R595N587-E591 WeakPolarHBondContact O-CB 3.46Å; N587-E591 WeakPolarHBondContact O-CG 3.43Å; N587-E591 PolarHBondContact O-N 3.06Å; L589-E591 VanDerWaalsContact C-N 3.32Å; L589-E591 PolarHBondContact O-N 3.31Å; E591-S594 PolarHBondContact O-OG 2.83Å; E591-R595 WeakPolarHBondContact O-CB 3.47Å; E591-R595 PolarHBondContact O-N 3.47Å
592K77.7Confident81.3Confident152 Ų152102 Ų10266%0.66152%0.523SS*.Hα-helixtrans-67.7-42.8176.3-78.3-164.2177.8-172.90112.8Q588 L589 R595 E596Q588-K592 WeakPolarHBondContact O-CG 3.48Å; Q588-K592 PolarHBondContact O-N 3.41Å; L589-K592 PolarHBondContact O-N 2.9Å; L589-K592 VanDerWaalsContact O-N 3.14Å; K592-R595 PolarHBondContact O-N 2.98Å; K592-E596 WeakPolarHBondContact O-CB 3.48Å; K592-E596 PolarHBondContact O-N 3.31Å
593E77.5Confident81.9Confident105 Ų105103.5 Ų103.549%0.49152%0.522SS..Hα-helixtrans-63.2-44178.1-171.5176.4-17700111.4L589 N590 R595 E596 Q597L589-E593 PolarHBondContact O-N 3.42Å; N590-E593 PolarHBondContact O-N 3.46Å; E593-R595 VanDerWaalsContact C-N 3.31Å; E593-R595 PolarHBondContact O-N 3.3Å; E593-E596 PolarHBondContact O-N 3.36Å; E593-Q597 WeakPolarHBondContact O-CG 3.48Å; E593-Q597 PolarHBondContact O-N 3Å
594S81.9Confident82.2Confident68 Ų68100.2 Ų100.248%0.47651%0.51SS..Hα-helixtrans-63.9-36.5174.865.50000112.6N590 E591 A598N590-S594 WeakPolarHBondContact O-CB 3.43Å; N590-S594 PolarHBondContact O-N 3Å; N590-S594 PolarHBondContact O-OG 3.44Å; E591-S594 PolarHBondContact O-OG 2.83Å; S594-A598 WeakPolarHBondContact O-CB 3.48Å; S594-A598 PolarHBondContact O-N 2.92Å
595R83.1Confident82.6Confident179 Ų179100.7 Ų100.768%0.67551%0.514SS*.Hα-helixtrans-68-39.2175.1-174.5174.7-179.2140.30.7112.1E591 K592 E593 A598 L599E591-R595 WeakPolarHBondContact O-CB 3.47Å; E591-R595 PolarHBondContact O-N 3.47Å; K592-R595 PolarHBondContact O-N 2.98Å; E593-R595 VanDerWaalsContact C-N 3.31Å; E593-R595 PolarHBondContact O-N 3.3Å; R595-A598 PolarHBondContact O-N 2.83Å; R595-L599 HydrophobicContact CG-CD1 4.23Å; R595-L599 WeakPolarHBondContact O-CB 3.36Å; R595-L599 VanDerWaalsContact O-CG 3.29Å; R595-L599 WeakPolarHBondContact O-CG 3.37Å; R595-L599 PolarHBondContact O-N 3.01Å
596E77.5Confident83Confident119 Ų11998 Ų9856%0.55651%0.507SS*.Hα-helixtrans-63-48.4176.2-174.9169.9-171.500111K592 E593 A598 L599 E600K592-E596 WeakPolarHBondContact O-CB 3.48Å; K592-E596 PolarHBondContact O-N 3.31Å; E593-E596 PolarHBondContact O-N 3.36Å; E596-A598 VanDerWaalsContact C-N 3.29Å; E596-A598 PolarHBondContact O-N 2.7Å; E596-L599 PolarHBondContact O-N 2.68Å; E596-L599 VanDerWaalsContact O-N 3.11Å; E596-E600 PolarHBondContact O-N 3.25Å
597Q83.9Confident83.6Confident108 Ų10896.2 Ų96.251%0.50550%0.496SS..Hα-helixtrans-59.8-38.2174.8-69.5175.93.400112.6E593 S601E593-Q597 WeakPolarHBondContact O-CG 3.48Å; E593-Q597 PolarHBondContact O-N 3Å; Q597-S601 WeakPolarHBondContact O-CB 2.8Å; Q597-S601 PolarHBondContact O-N 3.35Å; Q597-S601 PolarHBondContact O-OG 3.46Å
598A86.1Confident84.1Confident46 Ų4693.5 Ų93.538%0.3848%0.479SS..Hα-helixtrans-66.1-41.3175.200000112.1S594 R595 E596 S601 Q602S594-A598 WeakPolarHBondContact O-CB 3.48Å; S594-A598 PolarHBondContact O-N 2.92Å; R595-A598 PolarHBondContact O-N 2.83Å; E596-A598 VanDerWaalsContact C-N 3.29Å; E596-A598 PolarHBondContact O-N 2.7Å; A598-S601 PolarHBondContact O-N 2.94Å; A598-Q602 WeakPolarHBondContact O-CB 3.03Å; A598-Q602 VanDerWaalsContact O-CG 3.28Å; A598-Q602 WeakPolarHBondContact O-CG 3.49Å; A598-Q602 PolarHBondContact O-N 3.46Å
599L85.1Confident84.8Confident93 Ų9391.7 Ų91.749%0.48748%0.479SS..Hα-helixtrans-67.8-41177-73.8171.1000112R595 E596 S601 Q602 L603R595-L599 HydrophobicContact CG-CD1 4.23Å; R595-L599 WeakPolarHBondContact O-CB 3.36Å; R595-L599 VanDerWaalsContact O-CG 3.29Å; R595-L599 WeakPolarHBondContact O-CG 3.37Å; R595-L599 PolarHBondContact O-N 3.01Å; E596-L599 PolarHBondContact O-N 2.68Å; E596-L599 VanDerWaalsContact O-N 3.11Å; L599-S601 VanDerWaalsContact C-N 3.34Å; L599-Q602 PolarHBondContact O-N 2.95Å; L599-L603 WeakPolarHBondContact O-CB 3.42Å; L599-L603 PolarHBondContact O-N 3.27Å
600E81.7Confident85.5Confident118 Ų11890.2 Ų90.255%0.55148%0.477SS*.Hα-helixtrans-61.2-43.8173.9-75-173155.600111.6E596 Q602 L603 V604E596-E600 PolarHBondContact O-N 3.25Å; E600-Q602 PolarHBondContact O-N 3.46Å; E600-L603 PolarHBondContact O-N 3.33Å; E600-V604 WeakPolarHBondContact O-CG2 3.34Å; E600-V604 PolarHBondContact O-N 3.01Å
601S86.9Confident86.1Confident83 Ų8386.6 Ų86.658%0.5846%0.458SS*.Hα-helixtrans-62.1-42175.8-61.40000112Q597 A598 L599 V604 A605Q597-S601 WeakPolarHBondContact O-CB 2.8Å; Q597-S601 PolarHBondContact O-N 3.35Å; Q597-S601 PolarHBondContact O-OG 3.46Å; A598-S601 PolarHBondContact O-N 2.94Å; L599-S601 VanDerWaalsContact C-N 3.34Å; S601-V604 PolarHBondContact O-N 3.07Å; S601-A605 WeakPolarHBondContact O-CB 3.47Å; S601-A605 PolarHBondContact O-N 3.01Å
602Q90.1Very high86.6Confident126 Ų12683.5 Ų83.559%0.58944%0.443SS*.Hα-helixtrans-64.3-39.8174.7-75.4175.11300112.1A598 L599 E600 A605 A606A598-Q602 WeakPolarHBondContact O-CB 3.03Å; A598-Q602 VanDerWaalsContact O-CG 3.28Å; A598-Q602 WeakPolarHBondContact O-CG 3.49Å; A598-Q602 PolarHBondContact O-N 3.46Å; L599-Q602 PolarHBondContact O-N 2.95Å; E600-Q602 PolarHBondContact O-N 3.46Å; Q602-A605 PolarHBondContact O-N 3.31Å; Q602-A606 WeakPolarHBondContact O-CB 3.23Å; Q602-A606 PolarHBondContact O-N 2.64Å
603L86.3Confident87.4Confident87 Ų8777.9 Ų77.946%0.45543%0.429SS..Hα-helixtrans-64.6-44178.4-170.475000111.3L599 E600 A605 A606 R607L599-L603 WeakPolarHBondContact O-CB 3.42Å; L599-L603 PolarHBondContact O-N 3.27Å; E600-L603 PolarHBondContact O-N 3.33Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.28Å; L603-A606 PolarHBondContact O-N 2.94Å; L603-R607 VanDerWaalsContact O-CG 3.23Å; L603-R607 WeakPolarHBondContact O-CG 2.96Å; L603-R607 PolarHBondContact O-N 3.36Å
604V88.4Confident88.2Confident48 Ų4873.4 Ų73.429%0.29141%0.409SS..Hα-helixtrans-62.1-42.6175.4172.60000110.9E600 S601 R607 W608E600-V604 WeakPolarHBondContact O-CG2 3.34Å; E600-V604 PolarHBondContact O-N 3.01Å; S601-V604 PolarHBondContact O-N 3.07Å; V604-R607 PolarHBondContact O-N 2.87Å; V604-W608 PolarHBondContact O-N 2.99Å
605A88.9Confident88.9Confident57 Ų5770.1 Ų70.147%0.47139%0.387SS..Hα-helixtrans-63.8-42176.100000112.5S601 Q602 L603 W608 S609S601-A605 WeakPolarHBondContact O-CB 3.47Å; S601-A605 PolarHBondContact O-N 3.01Å; Q602-A605 PolarHBondContact O-N 3.31Å; L603-A605 VanDerWaalsContact C-N 3.34Å; L603-A605 PolarHBondContact O-N 3.28Å; A605-W608 PolarHBondContact O-N 3.18Å; A605-S609 WeakPolarHBondContact O-CB 3.37Å; A605-S609 PolarHBondContact O-N 3.35Å
606A89.4Confident89.5Confident53 Ų5365 Ų6544%0.43837%0.37SS..Hα-helixtrans-65.7-40.2178.200000112.4Q602 L603 S609 S610Q602-A606 WeakPolarHBondContact O-CB 3.23Å; Q602-A606 PolarHBondContact O-N 2.64Å; L603-A606 PolarHBondContact O-N 2.94Å; A606-S609 PolarHBondContact O-N 3Å; A606-S610 PolarHBondContact O-N 3.31Å; A606-S610 PolarHBondContact O-OG 2.97Å
607R90.8Very high90.4Very high63 Ų6362.8 Ų62.824%0.23836%0.36CS..Hα-helixtrans-60.7-47173.8-70.5171.6172.7169.8-0.4110.9L603 V604 S610 L611 V672L603-R607 VanDerWaalsContact O-CG 3.23Å; L603-R607 WeakPolarHBondContact O-CG 2.96Å; L603-R607 PolarHBondContact O-N 3.36Å; V604-R607 PolarHBondContact O-N 2.87Å; R607-S610 PolarHBondContact O-N 3.37Å; R607-L611 PolarHBondContact O-N 3.21Å; R607-L611 VanDerWaalsContact O-N 3.14Å; R607-V672 HydrophobicContact CB-CB 4.4Å; R607-V672 HydrophobicContact CB-CG1 4.29Å; R607-V672 HydrophobicContact CB-CG2 4.29Å; R607-V672 HydrophobicContact CG-CG1 4.03Å; R607-V672 WeakPolarHBondContact O-CG2 3.39Å
608W92.6Very high91Very high39 Ų3957.7 Ų57.715%0.14834%0.336CS..Hα-helixtrans-60.4-46.3175.8-177.5-100.8000112.5V604 A605 S610 L611 Q612 F665 R729 L732V604-W608 PolarHBondContact O-N 2.99Å; A605-W608 PolarHBondContact O-N 3.18Å; W608-S610 VanDerWaalsContact C-N 3.26Å; W608-S610 PolarHBondContact O-N 3.01Å; W608-L611 HydrophobicContact CE3-CD2 4.34Å; W608-L611 HydrophobicContact CH2-CD2 4.45Å; W608-L611 HydrophobicContact CZ3-CD2 3.91Å; W608-L611 PolarHBondContact O-N 3.23Å; W608-Q612 PolarHBondContact O-N 3.35Å; W608-F665 HydrophobicContact CE3-CE1 4.48Å; W608-F665 HydrophobicContact CE3-CZ 4.5Å; W608-F665 HydrophobicContact CZ3-CE1 4.33Å; W608-R729 HydrophobicContact CD2-CB 4.33Å; W608-R729 HydrophobicContact CD2-CG 4.19Å; W608-R729 HydrophobicContact CE3-CB 4.48Å; W608-R729 HydrophobicContact CE3-CG 4.06Å; W608-R729 HydrophobicContact CH2-CB 3.72Å; W608-R729 HydrophobicContact CH2-CG 4.04Å; W608-R729 HydrophobicContact CZ2-CB 3.47Å; W608-R729 VanDerWaalsContact CZ2-CB 3.47Å; W608-R729 HydrophobicContact CZ2-CG 4.11Å; W608-R729 VanDerWaalsContact CZ2-N 3.25Å; W608-R729 HydrophobicContact CZ3-CB 4.18Å; W608-R729 HydrophobicContact CZ3-CG 3.96Å; W608-L732 HydrophobicContact CH2-CB 4.49Å; W608-L732 HydrophobicContact CH2-CD2 4.2Å; W608-L732 HydrophobicContact CZ3-CD2 3.76Å
609S92.6Very high91.5Very high73 Ų7356.6 Ų56.651%0.5132%0.323SS..Hα-helixtrans-60.2-35.6177.3-174.50000112.8A605 A606 Q612 G613A605-S609 WeakPolarHBondContact O-CB 3.37Å; A605-S609 PolarHBondContact O-N 3.35Å; A606-S609 PolarHBondContact O-N 3Å; S609-Q612 PolarHBondContact O-N 3.08Å; S609-G613 PolarHBondContact O-N 3.34Å
610S91.6Very high92Very high70 Ų7057.7 Ų57.749%0.4932%0.321SS..Hα-helixtrans-69.4-42.2178.7-570000111.6A606 R607 W608 G613 A614A606-S610 PolarHBondContact O-N 3.31Å; A606-S610 PolarHBondContact O-OG 2.97Å; R607-S610 PolarHBondContact O-N 3.37Å; W608-S610 VanDerWaalsContact C-N 3.26Å; W608-S610 PolarHBondContact O-N 3.01Å; S610-G613 PolarHBondContact O-N 3.29Å; S610-A614 PolarHBondContact O-N 3.03Å; S610-A614 VanDerWaalsContact O-N 3.08Å
611L93.3Very high92.8Very high0 Ų053.2 Ų53.20%030%0.3CS..Hα-helixtrans-61.8-45.8173.2177.461.3000111.2R607 W608 G613 A614 V615 F665 V672 L675 V679 L732R607-L611 PolarHBondContact O-N 3.21Å; R607-L611 VanDerWaalsContact O-N 3.14Å; W608-L611 HydrophobicContact CE3-CD2 4.34Å; W608-L611 HydrophobicContact CH2-CD2 4.45Å; W608-L611 HydrophobicContact CZ3-CD2 3.91Å; W608-L611 PolarHBondContact O-N 3.23Å; L611-G613 VanDerWaalsContact C-N 3.34Å; L611-G613 PolarHBondContact O-N 3.12Å; L611-A614 PolarHBondContact O-N 3.31Å; L611-V615 HydrophobicContact CD1-CG2 4.18Å; L611-V615 HydrophobicContact CG-CG2 4.43Å; L611-V615 WeakPolarHBondContact O-CG2 3.41Å; L611-V615 PolarHBondContact O-N 3.16Å; L611-F665 HydrophobicContact CD2-CD1 4.22Å; L611-F665 HydrophobicContact CD2-CE1 3.73Å; L611-F665 HydrophobicContact CD2-CZ 4.07Å; L611-V672 HydrophobicContact CB-CG2 4.28Å; L611-L675 HydrophobicContact CD1-CB 4.49Å; L611-L675 HydrophobicContact CD1-CD2 3.58Å; L611-L675 HydrophobicContact CD1-CG 3.62Å; L611-L675 HydrophobicContact CD2-CD2 3.71Å; L611-L675 HydrophobicContact CG-CD2 4.3Å; L611-V679 HydrophobicContact CD1-CG2 4.37Å; L611-L732 HydrophobicContact CD2-CD2 4.01Å
612Q93.9Very high93.2Very high66 Ų6649.3 Ų49.331%0.30827%0.273SS..Hα-helixtrans-59-45.2178.6-173-178-16.400111.7W608 S609 A614 V615 E616 K727W608-Q612 PolarHBondContact O-N 3.35Å; S609-Q612 PolarHBondContact O-N 3.08Å; Q612-A614 VanDerWaalsContact C-N 3.33Å; Q612-A614 PolarHBondContact O-N 2.97Å; Q612-V615 PolarHBondContact O-N 3.14Å; Q612-E616 PolarHBondContact NE2-OE1 3.08Å; Q612-E616 WeakPolarHBondContact O-CB 3.34Å; Q612-E616 WeakPolarHBondContact O-CG 3.21Å; Q612-E616 PolarHBondContact O-N 3.33Å; Q612-K727 HydrophobicContact CG-CG 4.23Å
613G93.5Very high93.5Very high35 Ų3548.3 Ų48.336%0.36127%0.268SS..Hα-helixtrans-61.8-38.8175.900000113.1S609 S610 L611 E616 E617S609-G613 PolarHBondContact O-N 3.34Å; S610-G613 PolarHBondContact O-N 3.29Å; L611-G613 VanDerWaalsContact C-N 3.34Å; L611-G613 PolarHBondContact O-N 3.12Å; G613-E616 PolarHBondContact O-N 3.32Å; G613-E617 PolarHBondContact O-N 3.38Å
614A95.1Very high93.9Very high10 Ų1048.2 Ų48.28%0.08327%0.268CS..Hα-helixtrans-67.9-38.4176.800000112.9S610 L611 Q612 E617 A618 V676S610-A614 PolarHBondContact O-N 3.03Å; S610-A614 VanDerWaalsContact O-N 3.08Å; L611-A614 PolarHBondContact O-N 3.31Å; Q612-A614 VanDerWaalsContact C-N 3.33Å; Q612-A614 PolarHBondContact O-N 2.97Å; A614-E617 PolarHBondContact O-N 3.47Å; A614-A618 PolarHBondContact O-N 3.4Å; A614-V676 HydrophobicContact CB-CB 4.2Å; A614-V676 HydrophobicContact CB-CG1 3.8Å; A614-V676 HydrophobicContact CB-CG2 4.02Å
615V96Very high94.2Very high0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-66.1-43.4174.1173.20000110.6L611 Q612 E617 A618 E619 V679 L723 M726 K727L611-V615 HydrophobicContact CD1-CG2 4.18Å; L611-V615 HydrophobicContact CG-CG2 4.43Å; L611-V615 WeakPolarHBondContact O-CG2 3.41Å; L611-V615 PolarHBondContact O-N 3.16Å; Q612-V615 PolarHBondContact O-N 3.14Å; V615-E617 VanDerWaalsContact C-N 3.3Å; V615-E617 PolarHBondContact O-N 3.28Å; V615-A618 PolarHBondContact O-N 3.27Å; V615-E619 HydrophobicContact CG1-CG 4.47Å; V615-E619 WeakPolarHBondContact O-CG 3.37Å; V615-E619 PolarHBondContact O-N 3.41Å; V615-V679 HydrophobicContact CB-CG1 4.43Å; V615-V679 HydrophobicContact CG2-CG1 3.86Å; V615-V679 HydrophobicContact CG2-CG2 4.45Å; V615-L723 HydrophobicContact CG1-CB 4.08Å; V615-L723 HydrophobicContact CG1-CD2 4.34Å; V615-L723 WeakPolarHBondContact CG1-O 3.37Å; V615-M726 HydrophobicContact CG1-CB 4.47Å; V615-M726 HydrophobicContact CG2-CB 4.12Å; V615-K727 HydrophobicContact CG1-CB 3.95Å
616E95.4Very high94.4Very high70 Ų7045.4 Ų45.433%0.32724%0.244SC..Hα-helixtrans-61.5-36.9175.8-77.2171.6-174.300112.7Q612 G613 R620 K727Q612-E616 PolarHBondContact NE2-OE1 3.08Å; Q612-E616 WeakPolarHBondContact O-CB 3.34Å; Q612-E616 WeakPolarHBondContact O-CG 3.21Å; Q612-E616 PolarHBondContact O-N 3.33Å; G613-E616 PolarHBondContact O-N 3.32Å; E616-R620 PolarHBondContact O-N 3.42Å; E616-K727 HydrophobicContact CG-CD 4.43Å; E616-K727 VanDerWaalsContact CG-CE 3.48Å; E616-K727 VanDerWaalsContact OE1-CE 3.23Å; E616-K727 WeakPolarHBondContact OE1-CE 3.26Å; E616-K727 IonicContact OE1-NZ 2.64Å
617E96.1Very high94.5Very high74 Ų7446 Ų4635%0.34625%0.249SC..Hα-helixtrans-66.7-46.3174.2-167.361.2-150.600111.7G613 A614 V615 E619 R620 I621G613-E617 PolarHBondContact O-N 3.38Å; A614-E617 PolarHBondContact O-N 3.47Å; V615-E617 VanDerWaalsContact C-N 3.3Å; V615-E617 PolarHBondContact O-N 3.28Å; E617-E619 VanDerWaalsContact C-N 3.31Å; E617-E619 PolarHBondContact O-N 3.04Å; E617-R620 PolarHBondContact O-N 2.9Å; E617-R620 IonicContact OE1-NH1 3.23Å; E617-R620 PolarHBondContact OE1-NH1 3.12Å; E617-R620 IonicContact OE2-CZ 2.81Å; E617-R620 IonicContact OE2-NH1 3.69Å; E617-R620 PolarHBondContact OE2-NH1 3.2Å; E617-R620 IonicContact OE2-NH2 3.8Å; E617-R620 PolarHBondContact OE2-NH2 2.99Å; E617-R620 VanDerWaalsContact OE2-NH2 3.13Å; E617-I621 HydrophobicContact CG-CD1 4.24Å; E617-I621 WeakPolarHBondContact O-CG1 3.38Å; E617-I621 PolarHBondContact O-N 3.1Å
618A96.6Very high94.3Very high0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-61.2-40.4175.600000111.6A614 V615 R620 I621 I622 V679 L723A614-A618 PolarHBondContact O-N 3.4Å; V615-A618 PolarHBondContact O-N 3.27Å; A618-R620 VanDerWaalsContact C-N 3.33Å; A618-R620 PolarHBondContact O-N 3.22Å; A618-I621 PolarHBondContact O-N 3.47Å; A618-I622 WeakPolarHBondContact O-CG1 3.31Å; A618-I622 PolarHBondContact O-N 3.05Å; A618-I622 VanDerWaalsContact O-N 3.14Å; A618-V679 HydrophobicContact CB-CG1 3.96Å; A618-L723 HydrophobicContact CB-CD1 3.89Å; A618-L723 HydrophobicContact CB-CD2 3.98Å
619E96.5Very high94.1Very high24 Ų2445.6 Ų45.611%0.11225%0.252CS..Hα-helixtrans-58.4-45.4174.1-76.2177.9165.800111V615 E617 I622 Q623 L720 L723 G724 K727V615-E619 HydrophobicContact CG1-CG 4.47Å; V615-E619 WeakPolarHBondContact O-CG 3.37Å; V615-E619 PolarHBondContact O-N 3.41Å; E617-E619 VanDerWaalsContact C-N 3.31Å; E617-E619 PolarHBondContact O-N 3.04Å; E619-I622 PolarHBondContact O-N 3.05Å; E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.18Å; E619-Q623 PolarHBondContact O-N 3Å; E619-L720 HydrophobicContact CB-CD2 4.29Å; E619-L720 HydrophobicContact CG-CD2 4.43Å; E619-L723 HydrophobicContact CG-CB 3.62Å; E619-L723 HydrophobicContact CG-CD1 4.04Å; E619-L723 HydrophobicContact CG-CG 4.46Å; E619-G724 WeakPolarHBondContact OE1-CA 3.49Å; E619-G724 PolarHBondContact OE1-N 3.43Å; E619-K727 IonicContact OE2-NZ 2.65Å; E619-K727 PolarHBondContact OE2-NZ 3.39Å
620R96.9Very high93.5Very high116 Ų11647.2 Ų47.244%0.43826%0.255SS..Hα-helixtrans-62.8-45.6179.4-163.2-172.7-50.9123.615.9111.8E616 E617 A618 I622 Q623 D624E616-R620 PolarHBondContact O-N 3.42Å; E617-R620 PolarHBondContact O-N 2.9Å; E617-R620 IonicContact OE1-NH1 3.23Å; E617-R620 PolarHBondContact OE1-NH1 3.12Å; E617-R620 IonicContact OE2-CZ 2.81Å; E617-R620 IonicContact OE2-NH1 3.69Å; E617-R620 PolarHBondContact OE2-NH1 3.2Å; E617-R620 IonicContact OE2-NH2 3.8Å; E617-R620 PolarHBondContact OE2-NH2 2.99Å; E617-R620 VanDerWaalsContact OE2-NH2 3.13Å; A618-R620 VanDerWaalsContact C-N 3.33Å; A618-R620 PolarHBondContact O-N 3.22Å; R620-I622 VanDerWaalsContact C-N 3.29Å; R620-I622 PolarHBondContact O-N 3.02Å; R620-Q623 PolarHBondContact O-N 3.31Å; R620-Q623 VanDerWaalsContact O-N 3.16Å; R620-D624 WeakPolarHBondContact O-CB 3.2Å; R620-D624 VanDerWaalsContact O-CG 3.25Å; R620-D624 PolarHBondContact O-N 3.37Å
621I96.9Very high93.1Very high23 Ų2347.3 Ų47.312%0.11825%0.25CC..Hα-helixtrans-57.2-43.9177.8-68.5159.2000111.2E617 A618 S625 H684E617-I621 HydrophobicContact CG-CD1 4.24Å; E617-I621 WeakPolarHBondContact O-CG1 3.38Å; E617-I621 PolarHBondContact O-N 3.1Å; A618-I621 PolarHBondContact O-N 3.47Å; I621-S625 WeakPolarHBondContact O-CB 3.49Å; I621-S625 PolarHBondContact O-N 3.31Å; I621-S625 PolarHBondContact O-OG 3.5Å; I621-H684 WeakPolarHBondContact CD1-CE1 3.48Å
622I96.9Very high92.1Very high1 Ų152.3 Ų52.31%0.00528%0.282CS..Hα-helixtrans-68.9-40.4178.5-61.3-56.5000111.4A618 E619 R620 S625 L626 G683 V686 G687 I690 A719 L720 L723A618-I622 WeakPolarHBondContact O-CG1 3.31Å; A618-I622 PolarHBondContact O-N 3.05Å; A618-I622 VanDerWaalsContact O-N 3.14Å; E619-I622 PolarHBondContact O-N 3.05Å; R620-I622 VanDerWaalsContact C-N 3.29Å; R620-I622 PolarHBondContact O-N 3.02Å; I622-S625 PolarHBondContact O-N 2.84Å; I622-L626 HydrophobicContact CG2-CD1 4.21Å; I622-L626 WeakPolarHBondContact O-CB 3.47Å; I622-L626 WeakPolarHBondContact O-CG 3.27Å; I622-L626 PolarHBondContact O-N 3.31Å; I622-G683 WeakPolarHBondContact CD1-O 3.35Å; I622-V686 HydrophobicContact CD1-CB 3.79Å; I622-V686 HydrophobicContact CD1-CG1 3.73Å; I622-G687 VanDerWaalsContact CD1-N 3.33Å; I622-I690 HydrophobicContact CD1-CD1 4.26Å; I622-I690 HydrophobicContact CG2-CD1 4.06Å; I622-A719 HydrophobicContact CG1-CB 4.47Å; I622-A719 HydrophobicContact CG2-CB 4.24Å; I622-L720 HydrophobicContact CB-CD2 3.97Å; I622-L720 HydrophobicContact CB-CG 4.42Å; I622-L720 HydrophobicContact CG2-CD1 4.4Å; I622-L720 HydrophobicContact CG2-CD2 3.91Å; I622-L720 HydrophobicContact CG2-CG 3.8Å; I622-L723 HydrophobicContact CG1-CD1 4.29Å
623Q96.2Very high91Very high106 Ų10652.2 Ų52.250%0.49529%0.293SS..Hα-helixtrans-61.5-44.7175.2-75.1172.4-0.800111.8E619 R620 L626 A627 L720E619-Q623 VanDerWaalsContact O-CG 3.31Å; E619-Q623 WeakPolarHBondContact O-CG 3.18Å; E619-Q623 PolarHBondContact O-N 3Å; R620-Q623 PolarHBondContact O-N 3.31Å; R620-Q623 VanDerWaalsContact O-N 3.16Å; Q623-L626 PolarHBondContact O-N 2.99Å; Q623-A627 WeakPolarHBondContact O-CB 3.45Å; Q623-A627 PolarHBondContact O-N 3.25Å; Q623-L720 HydrophobicContact CG-CD1 4.07Å; Q623-L720 HydrophobicContact CG-CD2 3.93Å
624D93.8Very high90.1Very high84 Ų8451.3 Ų51.345%0.44928%0.279SS..Hα-helixtrans-64-42177.5-67.9-17.9000110.9R620 L626 A627 Q628R620-D624 WeakPolarHBondContact O-CB 3.2Å; R620-D624 VanDerWaalsContact O-CG 3.25Å; R620-D624 PolarHBondContact O-N 3.37Å; D624-L626 VanDerWaalsContact C-N 3.34Å; D624-L626 PolarHBondContact O-N 3.46Å; D624-A627 PolarHBondContact O-N 3.41Å; D624-Q628 WeakPolarHBondContact O-CG 3.34Å; D624-Q628 PolarHBondContact O-N 2.91Å
625S94.9Very high89Confident10 Ų1055.4 Ų55.47%0.0730%0.299CS..Hα-helixtrans-63.3-39.1176.8-56.30000112.2I621 I622 G687I621-S625 WeakPolarHBondContact O-CB 3.49Å; I621-S625 PolarHBondContact O-N 3.31Å; I621-S625 PolarHBondContact O-OG 3.5Å; I622-S625 PolarHBondContact O-N 2.84Å; S625-G687 VanDerWaalsContact OG-CA 3.26Å; S625-G687 WeakPolarHBondContact OG-CA 3.47Å
626L93.9Very high87.8Confident36 Ų3660 Ų6019%0.18833%0.33CS..Hα-helixtrans-68.7-40174.8-78.1170.8000112.1I622 Q623 D624 Q628 I629 I690 L720I622-L626 HydrophobicContact CG2-CD1 4.21Å; I622-L626 WeakPolarHBondContact O-CB 3.47Å; I622-L626 WeakPolarHBondContact O-CG 3.27Å; I622-L626 PolarHBondContact O-N 3.31Å; Q623-L626 PolarHBondContact O-N 2.99Å; D624-L626 VanDerWaalsContact C-N 3.34Å; D624-L626 PolarHBondContact O-N 3.46Å; L626-Q628 VanDerWaalsContact C-N 3.28Å; L626-Q628 PolarHBondContact O-N 2.87Å; L626-I629 HydrophobicContact CD2-CD1 3.86Å; L626-I629 WeakPolarHBondContact O-CB 3.38Å; L626-I629 PolarHBondContact O-N 2.91Å; L626-I690 HydrophobicContact CD2-CG2 4.18Å; L626-L720 HydrophobicContact CD1-CD1 3.91Å
627A91.1Very high87.1Confident66 Ų6659.1 Ų59.155%0.54533%0.332SS..Hα-helixtrans-64.7-34177.300000112.2Q623 D624 I629 D630Q623-A627 WeakPolarHBondContact O-CB 3.45Å; Q623-A627 PolarHBondContact O-N 3.25Å; D624-A627 PolarHBondContact O-N 3.41Å; A627-I629 VanDerWaalsContact C-N 3.26Å; A627-I629 PolarHBondContact O-N 3.06Å; A627-D630 PolarHBondContact O-N 3.15Å
628Q87.3Confident86.4Confident81 Ų8159.8 Ų59.838%0.37934%0.341SS..Hα-helixtrans-64.5-26.9175.8-76.1174.218.300113.3D624 L626 D630 D631 H634D624-Q628 WeakPolarHBondContact O-CG 3.34Å; D624-Q628 PolarHBondContact O-N 2.91Å; L626-Q628 VanDerWaalsContact C-N 3.28Å; L626-Q628 PolarHBondContact O-N 2.87Å; Q628-D630 PolarHBondContact O-N 2.86Å; Q628-D631 WeakPolarHBondContact O-CB 3.45Å; Q628-D631 PolarHBondContact O-N 3.36Å; Q628-D631 VanDerWaalsContact O-N 3.14Å; Q628-H634 WeakPolarHBondContact O-CB 3.46Å; Q628-H634 VanDerWaalsContact O-CG 3.31Å
629I86.8Confident85.9Confident13 Ų1360.3 Ų60.37%0.06734%0.344CS..Hα-helixtrans-58.7-38.3178.8-58.6174.9000111.4L626 A627 I690 V712 K713L626-I629 HydrophobicContact CD2-CD1 3.86Å; L626-I629 WeakPolarHBondContact O-CB 3.38Å; L626-I629 PolarHBondContact O-N 2.91Å; A627-I629 VanDerWaalsContact C-N 3.26Å; A627-I629 PolarHBondContact O-N 3.06Å; I629-I690 HydrophobicContact CD1-CG2 3.71Å; I629-I690 HydrophobicContact CG1-CG2 4.15Å; I629-V712 HydrophobicContact CD1-CG1 3.7Å; I629-K713 HydrophobicContact CD1-CG 4.18Å
630D80.5Confident85.3Confident107 Ų10762 Ų6257%0.57236%0.359SS*.THydrogen-bonded Turntrans-95.96.1-176.2-56.9-41000112A627 Q628 K713A627-D630 PolarHBondContact O-N 3.15Å; Q628-D630 PolarHBondContact O-N 2.86Å; D630-K713 IonicContact OD1-NZ 3.6Å; D630-K713 PolarHBondContact OD1-NZ 2.89Å; D630-K713 IonicContact OD2-NZ 3.68Å
631D82.8Confident84.8Confident72 Ų7257 Ų5739%0.38534%0.342SS..  trans-79.7123.2177.8-174-19.1000111.1Q628 A633 H634 I635Q628-D631 WeakPolarHBondContact O-CB 3.45Å; Q628-D631 PolarHBondContact O-N 3.36Å; Q628-D631 VanDerWaalsContact O-N 3.14Å; D631-A633 PolarHBondContact O-N 3.38Å; D631-A633 WeakPolarHBondContact OD1-CB 3.46Å; D631-A633 PolarHBondContact OD1-N 2.89Å; D631-H634 HydrophobicContact CB-CB 4.16Å; D631-H634 WeakPolarHBondContact O-CB 3.49Å; D631-H634 PolarHBondContact O-N 3.38Å; D631-I635 PolarHBondContact O-N 3.31Å
632P72.9Confident84Confident104 Ų10459.7 Ų59.768%0.67536%0.357SS*.THydrogen-bonded Turntrans-52.3-29175.6-27.134.9000115.2
633A72.2Confident83.5Confident64 Ų6464.1 Ų64.153%0.52937%0.374SS..THydrogen-bonded Turntrans-69.6-35.2175.600000112.1D631 S636D631-A633 PolarHBondContact O-N 3.38Å; D631-A633 WeakPolarHBondContact OD1-CB 3.46Å; D631-A633 PolarHBondContact OD1-N 2.89Å; A633-S636 PolarHBondContact O-OG 3.39Å
634H72.6Confident83.3Confident17 Ų1759 Ų598%0.07935%0.351CS..G310 helixtrans-80.8-22-178.4-163.7-82.6000113.1Q628 D631 S636 C637 V691 H698Q628-H634 WeakPolarHBondContact O-CB 3.46Å; Q628-H634 VanDerWaalsContact O-CG 3.31Å; D631-H634 HydrophobicContact CB-CB 4.16Å; D631-H634 WeakPolarHBondContact O-CB 3.49Å; D631-H634 PolarHBondContact O-N 3.38Å; H634-S636 PolarHBondContact O-N 2.93Å; H634-C637 VanDerWaalsContact O-CB 3.27Å; H634-C637 WeakPolarHBondContact O-CB 3.17Å; H634-C637 PolarHBondContact O-N 3.37Å; H634-V691 PolarHBondContact CE1-O 3.1Å; H634-V691 VanDerWaalsContact NE2-CG1 3.34Å; H634-V691 WeakPolarHBondContact NE2-CG1 3.22Å; H634-H698 PolarHBondContact O-CE1 3.03Å
635I73.4Confident83.1Confident96 Ų9656.1 Ų56.149%0.49234%0.336SS..G310 helixtrans-59.4-25.7173.7-63.4175.8000111.6D631 H698D631-I635 PolarHBondContact O-N 3.31Å; I635-H698 VanDerWaalsContact CA-CE1 3.47Å; I635-H698 WeakPolarHBondContact CA-CE1 3.42Å; I635-H698 PolarHBondContact O-CE1 3.33Å; I635-H698 PolarHBondContact O-ND1 2.91Å
636S70.8Confident82.8Confident95 Ų9558 Ų5866%0.66435%0.349SS*.G310 helixtrans-83.1-9.7175.572.40000114.4A633 H634A633-S636 PolarHBondContact O-OG 3.39Å; H634-S636 PolarHBondContact O-N 2.93Å
637C79.9Confident82.8Confident53 Ų5359.4 Ų59.436%0.35835%0.352SS..  trans-78.5136.4179.9-62.90000110.5H634 A695 H698H634-C637 VanDerWaalsContact O-CB 3.27Å; H634-C637 WeakPolarHBondContact O-CB 3.17Å; H634-C637 PolarHBondContact O-N 3.37Å; C637-A695 HydrophobicContact CB-CB 4.18Å; C637-A695 WeakPolarHBondContact O-CA 3.27Å; C637-H698 PolarHBondContact O-ND1 3.21Å
638T81.4Confident82.9Confident87 Ų8756.2 Ų56.253%0.53433%0.326SS..  trans-122.4143.3179.960.90000110A695 M699T638-A695 WeakPolarHBondContact CA-O 3.36Å; T638-M699 VanDerWaalsContact CB-SD 3.56Å; T638-M699 HydrophobicContact CG2-CG 3.9Å; T638-M699 HydrophobicContact CG2-SD 3.3Å; T638-M699 WeakPolarHBondContact CG2-SD 3.5Å
639S85.6Confident83.2Confident11 Ų1156.7 Ų56.78%0.07733%0.328CS..  trans-136.2146.1175.9167.80000110.5Q692 A695 T696S639-Q692 PolarHBondContact OG-OE1 3.48Å; S639-A695 PolarHBondContact N-O 3.05Å; S639-A695 VanDerWaalsContact N-O 3.16Å; S639-T696 WeakPolarHBondContact CB-OG1 3.32Å; S639-T696 PolarHBondContact O-OG1 3.45Å; S639-T696 PolarHBondContact OG-OG1 3.44Å
640S84.2Confident83.4Confident59 Ų5957.3 Ų57.341%0.41334%0.335SS..  trans-77.3145.2174.166.10000111.4D642 Y643 L644S640-D642 PolarHBondContact O-N 3.37Å; S640-Y643 PolarHBondContact O-N 3.46Å; S640-Y643 VanDerWaalsContact O-N 3.12Å; S640-Y643 VanDerWaalsContact OG-CB 3.26Å; S640-Y643 WeakPolarHBondContact OG-CB 3.47Å; S640-Y643 PolarHBondContact OG-N 3.41Å; S640-L644 PolarHBondContact O-N 3.48Å; S640-L644 VanDerWaalsContact O-N 3.15Å
641A86.1Confident84.1Confident11 Ų1152.2 Ų52.29%0.09131%0.308CS..Hα-helixtrans-54.3-38173.700000112.9Y643 L644 V645 L754A641-Y643 PolarHBondContact O-N 2.9Å; A641-L644 WeakPolarHBondContact O-CB 2.95Å; A641-L644 PolarHBondContact O-N 3.12Å; A641-V645 WeakPolarHBondContact O-CG2 3.37Å; A641-V645 PolarHBondContact O-N 3.26Å; A641-L754 HydrophobicContact CB-CB 3.79Å
642D81.3Confident84.7Confident81 Ų8149.5 Ų49.543%0.43329%0.293SS..Hα-helixtrans-64.7-39.7178.1-72.7-28.8000113.6S640 L644 V645 S646 H755S640-D642 PolarHBondContact O-N 3.37Å; D642-L644 VanDerWaalsContact C-N 3.35Å; D642-V645 PolarHBondContact O-N 2.87Å; D642-S646 PolarHBondContact O-N 2.75Å; D642-H755 VanDerWaalsContact CG-CE1 3.5Å; D642-H755 IonicContact OD1-CE1 2.93Å; D642-H755 PolarHBondContact OD1-CE1 3.12Å; D642-H755 IonicContact OD1-CG 3.66Å; D642-H755 IonicContact OD1-ND1 2.84Å; D642-H755 PolarHBondContact OD1-ND1 3.28Å; D642-H755 IonicContact OD2-CE1 3.13Å; D642-H755 PolarHBondContact OD2-CE1 3.47Å; D642-H755 IonicContact OD2-ND1 3.06Å
643Y85Confident85.7Confident93 Ų9348.7 Ų48.737%0.36528%0.283SS..Hα-helixtrans-65.7-43.6176.5-171.6-119.1000110.3S640 A641 V645 S646 R647 Q692S640-Y643 PolarHBondContact O-N 3.46Å; S640-Y643 VanDerWaalsContact O-N 3.12Å; S640-Y643 VanDerWaalsContact OG-CB 3.26Å; S640-Y643 WeakPolarHBondContact OG-CB 3.47Å; S640-Y643 PolarHBondContact OG-N 3.41Å; A641-Y643 PolarHBondContact O-N 2.9Å; Y643-V645 PolarHBondContact O-N 3.32Å; Y643-S646 WeakPolarHBondContact O-CB 3.43Å; Y643-S646 PolarHBondContact O-N 3.49Å; Y643-R647 HydrophobicContact CD1-CG 4.38Å; Y643-R647 HydrophobicContact CE1-CG 4.1Å; Y643-R647 HydrophobicContact CE2-CG 4.47Å; Y643-R647 WeakPolarHBondContact O-CG 3.41Å; Y643-R647 PolarHBondContact O-N 2.96Å; Y643-Q692 HydrophobicContact CD1-CG 3.88Å; Y643-Q692 HydrophobicContact CE1-CG 3.63Å
644L92.2Very high86.8Confident0 Ų045.6 Ų45.60%026%0.258CS..Hα-helixtrans-59.6-43.6174.3178.959.1000112.4S640 A641 D642 S646 R647 C648 T689 Q692 T696 L708 I747 A751S640-L644 PolarHBondContact O-N 3.48Å; S640-L644 VanDerWaalsContact O-N 3.15Å; A641-L644 WeakPolarHBondContact O-CB 2.95Å; A641-L644 PolarHBondContact O-N 3.12Å; D642-L644 VanDerWaalsContact C-N 3.35Å; L644-S646 VanDerWaalsContact C-N 3.34Å; L644-S646 PolarHBondContact O-N 2.99Å; L644-R647 PolarHBondContact O-N 3.35Å; L644-C648 VanDerWaalsContact O-CB 3.27Å; L644-C648 WeakPolarHBondContact O-CB 3.24Å; L644-C648 PolarHBondContact O-N 3.41Å; L644-T689 HydrophobicContact CD1-CG2 4.33Å; L644-Q692 HydrophobicContact CD1-CB 4.13Å; L644-T696 HydrophobicContact CD2-CG2 3.97Å; L644-L708 HydrophobicContact CD2-CD1 4.17Å; L644-L708 HydrophobicContact CD2-CD2 4.07Å; L644-I747 HydrophobicContact CD1-CG2 4.11Å; L644-I747 HydrophobicContact CD2-CG2 4.31Å; L644-I747 HydrophobicContact CG-CG2 4.34Å; L644-A751 HydrophobicContact CB-CB 4.32Å; L644-A751 HydrophobicContact CD2-CB 3.72Å; L644-A751 HydrophobicContact CG-CB 3.86Å
645V90.2Very high87.9Confident22 Ų2245.1 Ų45.113%0.13326%0.256CS..Hα-helixtrans-56.3-48174.4166.40000110.8A641 D642 Y643 R647 C648 Q649 L748 A751 E752A641-V645 WeakPolarHBondContact O-CG2 3.37Å; A641-V645 PolarHBondContact O-N 3.26Å; D642-V645 PolarHBondContact O-N 2.87Å; Y643-V645 PolarHBondContact O-N 3.32Å; V645-R647 PolarHBondContact O-N 3.12Å; V645-C648 PolarHBondContact O-N 3.26Å; V645-Q649 WeakPolarHBondContact O-CG 3.46Å; V645-Q649 PolarHBondContact O-N 3.5Å; V645-L748 HydrophobicContact CB-CD1 4.22Å; V645-L748 HydrophobicContact CG1-CD1 3.83Å; V645-L748 HydrophobicContact CG2-CD1 4.24Å; V645-A751 HydrophobicContact CG2-CB 3.63Å; V645-E752 HydrophobicContact CG2-CG 3.97Å
646S89.7Confident88.8Confident49 Ų4945 Ų4534%0.34325%0.253SS..Hα-helixtrans-61.8-42.7178.3174.90000112.7D642 Y643 L644 A650D642-S646 PolarHBondContact O-N 2.75Å; Y643-S646 WeakPolarHBondContact O-CB 3.43Å; Y643-S646 PolarHBondContact O-N 3.49Å; L644-S646 VanDerWaalsContact C-N 3.34Å; L644-S646 PolarHBondContact O-N 2.99Å; S646-A650 PolarHBondContact O-N 2.87Å
647R92.6Very high89.9Confident66 Ų6645.3 Ų45.325%0.24924%0.24CC..Hα-helixtrans-65.1-45.2177.6-65.8-56.586.2159.55.7111.5Y643 L644 V645 Q649 A650 S651 D688 T689 Q692Y643-R647 HydrophobicContact CD1-CG 4.38Å; Y643-R647 HydrophobicContact CE1-CG 4.1Å; Y643-R647 HydrophobicContact CE2-CG 4.47Å; Y643-R647 WeakPolarHBondContact O-CG 3.41Å; Y643-R647 PolarHBondContact O-N 2.96Å; L644-R647 PolarHBondContact O-N 3.35Å; V645-R647 PolarHBondContact O-N 3.12Å; R647-Q649 PolarHBondContact O-N 3.39Å; R647-A650 WeakPolarHBondContact O-CB 3.41Å; R647-A650 PolarHBondContact O-N 3.05Å; R647-A650 VanDerWaalsContact O-N 3.16Å; R647-S651 PolarHBondContact O-N 3.46Å; R647-S651 PolarHBondContact O-OG 3.42Å; R647-S651 VanDerWaalsContact O-OG 3.12Å; R647-D688 WeakPolarHBondContact CD-OD2 3.41Å; R647-D688 IonicContact NH1-OD2 2.67Å; R647-T689 VanDerWaalsContact C-OG1 3.3Å; R647-T689 PolarHBondContact O-OG1 3.02Å; R647-Q692 HydrophobicContact CG-CG 4.11Å
648C93.8Very high90.6Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-64.3-40.2-177.8-159.50000112.3L644 V645 S651 L652 T689 L744 L748L644-C648 VanDerWaalsContact O-CB 3.27Å; L644-C648 WeakPolarHBondContact O-CB 3.24Å; L644-C648 PolarHBondContact O-N 3.41Å; V645-C648 PolarHBondContact O-N 3.26Å; C648-S651 WeakPolarHBondContact O-CB 3.48Å; C648-S651 PolarHBondContact O-N 2.89Å; C648-L652 WeakPolarHBondContact O-CG 3.34Å; C648-L652 PolarHBondContact O-N 3.16Å; C648-T689 HydrophobicContact CB-CG2 4.19Å; C648-L744 PolarHBondContact SG-O 3.18Å; C648-L748 HydrophobicContact CB-CB 4.34Å; C648-L748 HydrophobicContact CB-CD1 4.29Å
649Q92.6Very high91.2Very high90 Ų9042.8 Ų42.842%0.42122%0.217SC..Hα-helixtrans-60.7-45.4172.1-73.8172.8-8.800112V645 R647 S651 L652 D653 L748V645-Q649 WeakPolarHBondContact O-CG 3.46Å; V645-Q649 PolarHBondContact O-N 3.5Å; R647-Q649 PolarHBondContact O-N 3.39Å; Q649-S651 VanDerWaalsContact C-N 3.3Å; Q649-S651 PolarHBondContact O-N 2.9Å; Q649-L652 PolarHBondContact O-N 2.7Å; Q649-D653 PolarHBondContact O-N 2.94Å; Q649-D653 VanDerWaalsContact O-N 3.07Å; Q649-L748 HydrophobicContact CG-CD1 4.04Å; Q649-L748 HydrophobicContact CG-CD2 4.29Å
650A92.1Very high91.5Very high27 Ų2746 Ų4622%0.22324%0.24CC..Hα-helixtrans-63.1-36176.700000112.5S646 R647 S654 L685S646-A650 PolarHBondContact O-N 2.87Å; R647-A650 WeakPolarHBondContact O-CB 3.41Å; R647-A650 PolarHBondContact O-N 3.05Å; R647-A650 VanDerWaalsContact O-N 3.16Å; A650-S654 WeakPolarHBondContact O-CB 3.49Å; A650-S654 PolarHBondContact O-N 2.86Å; A650-S654 VanDerWaalsContact O-N 3.15Å; A650-L685 HydrophobicContact CB-CD2 4.11Å
651S95.9Very high92Very high0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-64-44.5172.9-56.70000111.7R647 C648 Q649 D653 S654 V655 L685 T689R647-S651 PolarHBondContact O-N 3.46Å; R647-S651 PolarHBondContact O-OG 3.42Å; R647-S651 VanDerWaalsContact O-OG 3.12Å; C648-S651 WeakPolarHBondContact O-CB 3.48Å; C648-S651 PolarHBondContact O-N 2.89Å; Q649-S651 VanDerWaalsContact C-N 3.3Å; Q649-S651 PolarHBondContact O-N 2.9Å; S651-D653 PolarHBondContact O-N 3.1Å; S651-S654 WeakPolarHBondContact O-CB 3.41Å; S651-S654 PolarHBondContact O-N 3.35Å; S651-S654 VanDerWaalsContact O-N 3.1Å; S651-S654 PolarHBondContact O-OG 3.49Å; S651-V655 WeakPolarHBondContact O-CG2 3.24Å; S651-V655 PolarHBondContact O-N 3.17Å; S651-V655 VanDerWaalsContact O-N 3.08Å; S651-L685 VanDerWaalsContact OG-C 3.31Å; S651-L685 PolarHBondContact OG-O 3.46Å; S651-T689 PolarHBondContact OG-OG1 3.4Å
652L94.9Very high92.4Very high14 Ų1444.5 Ų44.57%0.07322%0.224CC..Hα-helixtrans-59.1-47.9177.3-74.8166.9000112C648 Q649 S654 V655 E656 R741 L744 E745 L748C648-L652 WeakPolarHBondContact O-CG 3.34Å; C648-L652 PolarHBondContact O-N 3.16Å; Q649-L652 PolarHBondContact O-N 2.7Å; L652-S654 PolarHBondContact O-N 3.22Å; L652-V655 PolarHBondContact O-N 3.32Å; L652-V655 VanDerWaalsContact O-N 3.15Å; L652-E656 PolarHBondContact O-N 3.22Å; L652-R741 HydrophobicContact CD2-CB 4.48Å; L652-R741 HydrophobicContact CD2-CG 3.64Å; L652-L744 HydrophobicContact CD2-CB 3.61Å; L652-L744 HydrophobicContact CD2-CD1 4.19Å; L652-L744 HydrophobicContact CG-CB 3.96Å; L652-L744 HydrophobicContact CG-CD1 4.44Å; L652-E745 HydrophobicContact CD1-CG 4.22Å; L652-E745 HydrophobicContact CD2-CG 3.92Å; L652-L748 HydrophobicContact CD1-CD2 3.88Å
653D93.3Very high92.9Very high87 Ų8745.4 Ų45.447%0.46523%0.226SC..Hα-helixtrans-60.2-31.6176.1-68.8-12.1000112.3Q649 S651 R657Q649-D653 PolarHBondContact O-N 2.94Å; Q649-D653 VanDerWaalsContact O-N 3.07Å; S651-D653 PolarHBondContact O-N 3.1Å; D653-R657 WeakPolarHBondContact O-CG 3.19Å; D653-R657 PolarHBondContact O-N 3.33Å; D653-R657 PolarHBondContact O-NE 2.76Å; D653-R657 VanDerWaalsContact O-NE 3.12Å
654S95.6Very high93.3Very high0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-73.9-34.4178.979.70000112.6A650 S651 L652 R657 L658A650-S654 WeakPolarHBondContact O-CB 3.49Å; A650-S654 PolarHBondContact O-N 2.86Å; A650-S654 VanDerWaalsContact O-N 3.15Å; S651-S654 WeakPolarHBondContact O-CB 3.41Å; S651-S654 PolarHBondContact O-N 3.35Å; S651-S654 VanDerWaalsContact O-N 3.1Å; S651-S654 PolarHBondContact O-OG 3.49Å; L652-S654 PolarHBondContact O-N 3.22Å; S654-R657 PolarHBondContact O-N 3.4Å; S654-L658 WeakPolarHBondContact O-CB 3.48Å; S654-L658 PolarHBondContact O-N 2.95Å
655V95.1Very high93.3Very high6 Ų643.4 Ų43.44%0.03623%0.228CC..Hα-helixtrans-68-39.7176.3174.50000110.8S651 L652 L658 Q659 L740 R741 L744S651-V655 WeakPolarHBondContact O-CG2 3.24Å; S651-V655 PolarHBondContact O-N 3.17Å; S651-V655 VanDerWaalsContact O-N 3.08Å; L652-V655 PolarHBondContact O-N 3.32Å; L652-V655 VanDerWaalsContact O-N 3.15Å; V655-L658 WeakPolarHBondContact O-CB 3.49Å; V655-L658 PolarHBondContact O-N 3.27Å; V655-Q659 PolarHBondContact O-N 2.92Å; V655-Q659 VanDerWaalsContact O-N 3.1Å; V655-L740 HydrophobicContact CG2-CD2 3.74Å; V655-L740 HydrophobicContact CG2-CG 4.13Å; V655-R741 HydrophobicContact CG1-CB 4.49Å; V655-L744 HydrophobicContact CG2-CD1 3.99Å
656E92.9Very high93.3Very high94 Ų9446.1 Ų46.144%0.43924%0.242SC..Hα-helixtrans-62.2-46.6173.8-68.1-175.7177.400111.7L652 L658 Q659 S660 R741L652-E656 PolarHBondContact O-N 3.22Å; E656-L658 VanDerWaalsContact C-N 3.28Å; E656-L658 PolarHBondContact O-N 3.04Å; E656-Q659 PolarHBondContact O-N 3.03Å; E656-S660 PolarHBondContact O-N 3.3Å; E656-S660 VanDerWaalsContact O-N 3.13Å; E656-S660 PolarHBondContact O-OG 3.43Å; E656-R741 IonicContact OE1-CZ 3.21Å; E656-R741 IonicContact OE1-NH1 2.91Å; E656-R741 PolarHBondContact OE1-NH1 3.44Å; E656-R741 IonicContact OE1-NH2 3.68Å
657R93.9Very high93.4Very high101 Ų10148.1 Ų48.138%0.38126%0.261SS..Hα-helixtrans-62.3-36.6176.2-75.7-178.2-79.9130.5-8.1112.2D653 S654 Q659 S660 A661 V678D653-R657 WeakPolarHBondContact O-CG 3.19Å; D653-R657 PolarHBondContact O-N 3.33Å; D653-R657 PolarHBondContact O-NE 2.76Å; D653-R657 VanDerWaalsContact O-NE 3.12Å; S654-R657 PolarHBondContact O-N 3.4Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.41Å; R657-S660 PolarHBondContact O-N 2.89Å; R657-A661 WeakPolarHBondContact O-CB 3.33Å; R657-A661 PolarHBondContact O-N 3.48Å; R657-V678 HydrophobicContact CB-CG1 4.04Å
658L94.9Very high93.2Very high5 Ų548.9 Ų48.93%0.02627%0.27CS..Hα-helixtrans-62.2-42177-178.762000111.2S654 V655 E656 A661 R662 L675 V678 V679 C682 L722 M726S654-L658 WeakPolarHBondContact O-CB 3.48Å; S654-L658 PolarHBondContact O-N 2.95Å; V655-L658 WeakPolarHBondContact O-CB 3.49Å; V655-L658 PolarHBondContact O-N 3.27Å; E656-L658 VanDerWaalsContact C-N 3.28Å; E656-L658 PolarHBondContact O-N 3.04Å; L658-A661 PolarHBondContact O-N 2.9Å; L658-R662 WeakPolarHBondContact O-CB 3.4Å; L658-R662 PolarHBondContact O-N 2.96Å; L658-L675 HydrophobicContact CD1-CD1 4.07Å; L658-V678 VanDerWaalsContact CA-CG1 3.43Å; L658-V678 HydrophobicContact CB-CG1 3.87Å; L658-V678 HydrophobicContact CD1-CG1 4.12Å; L658-V679 HydrophobicContact CD1-CB 4.28Å; L658-V679 HydrophobicContact CD1-CG2 3.44Å; L658-V679 VanDerWaalsContact CD1-CG2 3.44Å; L658-C682 HydrophobicContact CD2-CB 4.23Å; L658-L722 HydrophobicContact CD2-CD2 4.05Å; L658-M726 HydrophobicContact CD1-CE 3.83Å; L658-M726 HydrophobicContact CD1-SD 4.27Å; L658-M726 HydrophobicContact CD2-SD 4.08Å; L658-M726 HydrophobicContact CG-CE 4.36Å; L658-M726 HydrophobicContact CG-SD 4.32Å
659Q92.6Very high92.9Very high83 Ų8351.8 Ų51.839%0.38829%0.285SS..Hα-helixtrans-63.9-46.9176.7-173.6170.6-5.800111.9V655 E656 R657 A661 R662 E663V655-Q659 PolarHBondContact O-N 2.92Å; V655-Q659 VanDerWaalsContact O-N 3.1Å; E656-Q659 PolarHBondContact O-N 3.03Å; R657-Q659 VanDerWaalsContact C-N 3.32Å; R657-Q659 PolarHBondContact O-N 3.41Å; Q659-A661 PolarHBondContact O-N 3.15Å; Q659-R662 WeakPolarHBondContact O-CB 3.36Å; Q659-R662 PolarHBondContact O-N 3.5Å; Q659-E663 WeakPolarHBondContact O-CG 3.37Å; Q659-E663 PolarHBondContact O-N 2.57Å; Q659-E663 VanDerWaalsContact O-N 3.08Å
660S93.1Very high92.7Very high79 Ų7951 Ų5155%0.55229%0.287SS*.Hα-helixtrans-62.3-41.9176.7-57.90000112.7E656 R657 R662 E663 A664E656-S660 PolarHBondContact O-N 3.3Å; E656-S660 VanDerWaalsContact O-N 3.13Å; E656-S660 PolarHBondContact O-OG 3.43Å; R657-S660 PolarHBondContact O-N 2.89Å; S660-R662 VanDerWaalsContact C-N 3.33Å; S660-R662 PolarHBondContact O-N 2.78Å; S660-E663 PolarHBondContact O-N 3Å; S660-A664 PolarHBondContact O-N 3.08Å
661A93.8Very high92.6Very high9 Ų951 Ų517%0.07429%0.287CS..Hα-helixtrans-66.4-35.5178.300000112.1R657 L658 Q659 A664 F665 E674 L675 V678R657-A661 WeakPolarHBondContact O-CB 3.33Å; R657-A661 PolarHBondContact O-N 3.48Å; L658-A661 PolarHBondContact O-N 2.9Å; Q659-A661 PolarHBondContact O-N 3.15Å; A661-A664 PolarHBondContact O-N 3.06Å; A661-F665 PolarHBondContact O-N 3.5Å; A661-E674 HydrophobicContact CB-CG 4.38Å; A661-L675 HydrophobicContact CB-CB 4.46Å; A661-L675 HydrophobicContact CB-CD1 4.01Å; A661-V678 HydrophobicContact CB-CB 4.32Å; A661-V678 HydrophobicContact CB-CG2 4.28Å
662R94.3Very high92.5Very high28 Ų2852 Ų5211%0.10629%0.293CS..Hα-helixtrans-64.6-46.5175.2-177.5-172.272.1118.3-3.6111.4L658 Q659 S660 A664 F665 L666 L675 L732 A733 A735L658-R662 WeakPolarHBondContact O-CB 3.4Å; L658-R662 PolarHBondContact O-N 2.96Å; Q659-R662 WeakPolarHBondContact O-CB 3.36Å; Q659-R662 PolarHBondContact O-N 3.5Å; S660-R662 VanDerWaalsContact C-N 3.33Å; S660-R662 PolarHBondContact O-N 2.78Å; R662-A664 VanDerWaalsContact C-N 3.33Å; R662-A664 PolarHBondContact O-N 3.14Å; R662-F665 PolarHBondContact O-N 2.82Å; R662-L666 HydrophobicContact CG-CD1 4.28Å; R662-L666 WeakPolarHBondContact O-CG 3.36Å; R662-L666 PolarHBondContact O-N 3.28Å; R662-L675 HydrophobicContact CB-CD1 4.22Å; R662-L732 WeakPolarHBondContact CD-O 3.41Å; R662-L732 HydrophobicContact CG-CD1 4.07Å; R662-L732 HydrophobicContact CG-CG 4.43Å; R662-L732 PolarHBondContact NH1-O 3.26Å; R662-A733 PolarHBondContact NH1-O 3.34Å; R662-A735 PolarHBondContact NE-O 2.99Å; R662-A735 PolarHBondContact NH1-O 3.2Å; R662-A735 PolarHBondContact NH2-O 3.35Å
663E92.6Very high92.3Very high100 Ų10058 Ų5847%0.46732%0.324SS..Hα-helixtrans-61.5-41.9177.2-71.9172.9-168.900111.6Q659 S660 F665 L666 A667Q659-E663 WeakPolarHBondContact O-CG 3.37Å; Q659-E663 PolarHBondContact O-N 2.57Å; Q659-E663 VanDerWaalsContact O-N 3.08Å; S660-E663 PolarHBondContact O-N 3Å; E663-F665 PolarHBondContact O-N 3.41Å; E663-L666 PolarHBondContact O-N 3.46Å; E663-A667 PolarHBondContact O-N 3.01Å
664A92.7Very high92.3Very high48 Ų4857.7 Ų57.740%0.39732%0.32SS..Hα-helixtrans-61.3-41.5175.300000112.5S660 A661 R662 A667 D668 A671S660-A664 PolarHBondContact O-N 3.08Å; A661-A664 PolarHBondContact O-N 3.06Å; R662-A664 VanDerWaalsContact C-N 3.33Å; R662-A664 PolarHBondContact O-N 3.14Å; A664-A667 PolarHBondContact O-N 3.07Å; A664-D668 PolarHBondContact O-N 2.97Å; A664-A671 HydrophobicContact CB-CB 4.31Å
665F92.8Very high92.2Very high3 Ų357.7 Ų57.71%0.01332%0.32CS..Hα-helixtrans-68.7-36.6177.4176.6-102.7000113.4W608 L611 A661 R662 E663 A667 D668 N669 V672 L675 L732W608-F665 HydrophobicContact CE3-CE1 4.48Å; W608-F665 HydrophobicContact CE3-CZ 4.5Å; W608-F665 HydrophobicContact CZ3-CE1 4.33Å; L611-F665 HydrophobicContact CD2-CD1 4.22Å; L611-F665 HydrophobicContact CD2-CE1 3.73Å; L611-F665 HydrophobicContact CD2-CZ 4.07Å; A661-F665 PolarHBondContact O-N 3.5Å; R662-F665 PolarHBondContact O-N 2.82Å; E663-F665 PolarHBondContact O-N 3.41Å; F665-A667 VanDerWaalsContact C-N 3.32Å; F665-D668 WeakPolarHBondContact CA-O 3.5Å; F665-D668 CarbonylContact O-C 3.57Å; F665-D668 PolarHBondContact O-N 3.35Å; F665-N669 HydrophobicContact CE2-CB 4.19Å; F665-N669 VanDerWaalsContact CZ-OD1 3.25Å; F665-N669 WeakPolarHBondContact CZ-OD1 3.29Å; F665-N669 PolarHBondContact O-N 2.93Å; F665-V672 HydrophobicContact CD2-CB 3.94Å; F665-V672 HydrophobicContact CD2-CG2 4.36Å; F665-V672 HydrophobicContact CE2-CB 3.69Å; F665-V672 HydrophobicContact CE2-CG2 3.85Å; F665-L675 HydrophobicContact CB-CB 4.35Å; F665-L675 HydrophobicContact CB-CD2 3.66Å; F665-L675 HydrophobicContact CD1-CD2 3.68Å; F665-L675 HydrophobicContact CD2-CD2 4.41Å; F665-L675 HydrophobicContact CE1-CD2 4.45Å; F665-L675 HydrophobicContact CG-CD2 3.64Å; F665-L732 HydrophobicContact CD1-CD2 3.76Å; F665-L732 HydrophobicContact CE1-CD2 3.67Å
666L90.4Very high92.3Very high80 Ų8059.1 Ų59.142%0.41933%0.329SS..Hα-helixtrans-67.7-33.9175.2-70.7170.6000112R662 E663 L732 A733R662-L666 HydrophobicContact CG-CD1 4.28Å; R662-L666 WeakPolarHBondContact O-CG 3.36Å; R662-L666 PolarHBondContact O-N 3.28Å; E663-L666 PolarHBondContact O-N 3.46Å; L666-L732 HydrophobicContact CD2-CD2 4.14Å; L666-L732 HydrophobicContact CD2-CG 4.25Å; L666-A733 HydrophobicContact CD1-CB 4.24Å; L666-A733 HydrophobicContact CD2-CB 4.46Å
667A91.4Very high92.4Very high91 Ų9162 Ų6275%0.75234%0.335SS*.Hα-helixtrans-74-41.5174.200000112.2E663 A664 F665E663-A667 PolarHBondContact O-N 3.01Å; A664-A667 PolarHBondContact O-N 3.07Å; F665-A667 VanDerWaalsContact C-N 3.32Å
668D89.6Confident92.4Very high82 Ų8257.2 Ų57.244%0.43932%0.318SS..  trans-143.1115.5177.1-177.64.6000111.7A664 F665 T670 A671A664-D668 PolarHBondContact O-N 2.97Å; F665-D668 WeakPolarHBondContact CA-O 3.5Å; F665-D668 CarbonylContact O-C 3.57Å; F665-D668 PolarHBondContact O-N 3.35Å; D668-T670 PolarHBondContact O-N 3.08Å; D668-T670 VanDerWaalsContact OD1-CG2 3.28Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.49Å; D668-T670 PolarHBondContact OD1-N 3.06Å; D668-T670 PolarHBondContact OD1-OG1 3.28Å; D668-T670 PolarHBondContact OD2-OG1 3.25Å; D668-A671 WeakPolarHBondContact O-CB 3.39Å; D668-A671 PolarHBondContact O-N 2.85Å
669N87.1Confident92.5Very high60 Ų6057 Ų5732%0.32132%0.317SS..G310 helixtrans-63.8-12.6179.1-76.6-86.2000113.4F665 A671F665-N669 HydrophobicContact CE2-CB 4.19Å; F665-N669 VanDerWaalsContact CZ-OD1 3.25Å; F665-N669 WeakPolarHBondContact CZ-OD1 3.29Å; F665-N669 PolarHBondContact O-N 2.93Å; N669-A671 PolarHBondContact O-N 3.45Å
670T88.1Confident92.5Very high75 Ų7554.8 Ų54.846%0.4631%0.309SS..G310 helixtrans-68-21.2172.675.70000112.7D668 V672D668-T670 PolarHBondContact O-N 3.08Å; D668-T670 VanDerWaalsContact OD1-CG2 3.28Å; D668-T670 WeakPolarHBondContact OD1-CG2 3.49Å; D668-T670 PolarHBondContact OD1-N 3.06Å; D668-T670 PolarHBondContact OD1-OG1 3.28Å; D668-T670 PolarHBondContact OD2-OG1 3.25Å; T670-V672 PolarHBondContact O-N 3.32Å; T670-V672 VanDerWaalsContact O-N 3.09Å
671A90.3Very high92.6Very high27 Ų2754.7 Ų54.722%0.22330%0.3CS..G310 helixtrans-759.6178.800000114.4A664 D668 N669 L673 E674 L675A664-A671 HydrophobicContact CB-CB 4.31Å; D668-A671 WeakPolarHBondContact O-CB 3.39Å; D668-A671 PolarHBondContact O-N 2.85Å; N669-A671 PolarHBondContact O-N 3.45Å; A671-L673 PolarHBondContact O-N 3.46Å; A671-L673 VanDerWaalsContact O-N 3.15Å; A671-E674 PolarHBondContact O-N 2.98Å; A671-L675 PolarHBondContact O-N 2.73Å
672V93.1Very high92.7Very high19 Ų1954.6 Ų54.612%0.11530%0.298CS..Hα-helixtrans-54.9-34.5-177.5710000113.6R607 L611 F665 T670 E674 L675 V676R607-V672 HydrophobicContact CB-CB 4.4Å; R607-V672 HydrophobicContact CB-CG1 4.29Å; R607-V672 HydrophobicContact CB-CG2 4.29Å; R607-V672 HydrophobicContact CG-CG1 4.03Å; R607-V672 WeakPolarHBondContact O-CG2 3.39Å; L611-V672 HydrophobicContact CB-CG2 4.28Å; F665-V672 HydrophobicContact CD2-CB 3.94Å; F665-V672 HydrophobicContact CD2-CG2 4.36Å; F665-V672 HydrophobicContact CE2-CB 3.69Å; F665-V672 HydrophobicContact CE2-CG2 3.85Å; T670-V672 PolarHBondContact O-N 3.32Å; T670-V672 VanDerWaalsContact O-N 3.09Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 3.25Å; V672-L675 PolarHBondContact O-N 3.28Å; V672-V676 HydrophobicContact CG2-CG2 4.17Å; V672-V676 WeakPolarHBondContact O-CB 3.49Å; V672-V676 VanDerWaalsContact O-CG2 3.28Å; V672-V676 WeakPolarHBondContact O-CG2 3.3Å; V672-V676 PolarHBondContact O-N 2.87Å
673L91.8Very high92.8Very high141 Ų14153.4 Ų53.474%0.73830%0.295SS*.Hα-helixtrans-63.2-42.2-177.2-178.967.9000111.5A671 R677A671-L673 PolarHBondContact O-N 3.46Å; A671-L673 VanDerWaalsContact O-N 3.15Å; L673-R677 WeakPolarHBondContact O-CB 3.48Å; L673-R677 PolarHBondContact O-N 2.9Å; L673-R677 VanDerWaalsContact O-N 3.1Å
674E91.9Very high93Very high80 Ų8053.6 Ų53.637%0.37430%0.296SS..Hα-helixtrans-69.2-43.2179.5-175.157.7-156.900110.6A661 A671 V672 R677 V678A661-E674 HydrophobicContact CB-CG 4.38Å; A671-E674 PolarHBondContact O-N 2.98Å; V672-E674 VanDerWaalsContact C-N 3.33Å; V672-E674 PolarHBondContact O-N 3.25Å; E674-R677 PolarHBondContact O-N 3.16Å; E674-R677 IonicContact OE1-CZ 2.73Å; E674-R677 IonicContact OE1-NE 2.57Å; E674-R677 IonicContact OE1-NH2 3.58Å; E674-R677 PolarHBondContact OE1-NH2 2.9Å; E674-R677 IonicContact OE2-CZ 3.08Å; E674-R677 IonicContact OE2-NE 3.97Å; E674-R677 PolarHBondContact OE2-NE 3.28Å; E674-R677 IonicContact OE2-NH2 3.59Å; E674-R677 PolarHBondContact OE2-NH2 2.79Å; E674-V678 VanDerWaalsContact O-CG2 3.29Å; E674-V678 WeakPolarHBondContact O-CG2 3.4Å; E674-V678 PolarHBondContact O-N 3.27Å; E674-V678 WeakPolarHBondContact OE1-CG2 3.37Å
675L94.9Very high93.2Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-62.7-44.9177-177.458.7000112.1L611 L658 A661 R662 F665 A671 V672 R677 V678 V679 M726L611-L675 HydrophobicContact CD1-CB 4.49Å; L611-L675 HydrophobicContact CD1-CD2 3.58Å; L611-L675 HydrophobicContact CD1-CG 3.62Å; L611-L675 HydrophobicContact CD2-CD2 3.71Å; L611-L675 HydrophobicContact CG-CD2 4.3Å; L658-L675 HydrophobicContact CD1-CD1 4.07Å; A661-L675 HydrophobicContact CB-CB 4.46Å; A661-L675 HydrophobicContact CB-CD1 4.01Å; R662-L675 HydrophobicContact CB-CD1 4.22Å; F665-L675 HydrophobicContact CB-CB 4.35Å; F665-L675 HydrophobicContact CB-CD2 3.66Å; F665-L675 HydrophobicContact CD1-CD2 3.68Å; F665-L675 HydrophobicContact CD2-CD2 4.41Å; F665-L675 HydrophobicContact CE1-CD2 4.45Å; F665-L675 HydrophobicContact CG-CD2 3.64Å; A671-L675 PolarHBondContact O-N 2.73Å; V672-L675 PolarHBondContact O-N 3.28Å; L675-R677 VanDerWaalsContact C-N 3.33Å; L675-R677 PolarHBondContact O-N 3.13Å; L675-V678 PolarHBondContact O-N 2.96Å; L675-V679 HydrophobicContact CD1-CG2 3.92Å; L675-V679 HydrophobicContact CG-CG2 4.21Å; L675-V679 WeakPolarHBondContact O-CB 3.25Å; L675-V679 WeakPolarHBondContact O-CG2 3.47Å; L675-V679 PolarHBondContact O-N 3.12Å; L675-M726 HydrophobicContact CD1-CE 3.93Å
676V95.6Very high93.4Very high36 Ų3652.7 Ų52.722%0.21828%0.284CS..Hα-helixtrans-55.8-48.5174.7162.20000110.7A614 V672 V678 V679 T680A614-V676 HydrophobicContact CB-CB 4.2Å; A614-V676 HydrophobicContact CB-CG1 3.8Å; A614-V676 HydrophobicContact CB-CG2 4.02Å; V672-V676 HydrophobicContact CG2-CG2 4.17Å; V672-V676 WeakPolarHBondContact O-CB 3.49Å; V672-V676 VanDerWaalsContact O-CG2 3.28Å; V672-V676 WeakPolarHBondContact O-CG2 3.3Å; V672-V676 PolarHBondContact O-N 2.87Å; V676-V678 PolarHBondContact O-N 3.32Å; V676-V679 PolarHBondContact O-N 2.86Å; V676-T680 PolarHBondContact O-N 3.2Å; V676-T680 VanDerWaalsContact O-N 3.15Å; V676-T680 PolarHBondContact O-OG1 2.98Å; V676-T680 VanDerWaalsContact O-OG1 3.11Å
677R94.6Very high93.7Very high154 Ų15449 Ų4958%0.58127%0.265SS*.Hα-helixtrans-59.8-47.1179.7-176.2179.573.7156.74.6112L673 E674 L675 Q681L673-R677 WeakPolarHBondContact O-CB 3.48Å; L673-R677 PolarHBondContact O-N 2.9Å; L673-R677 VanDerWaalsContact O-N 3.1Å; E674-R677 PolarHBondContact O-N 3.16Å; E674-R677 IonicContact OE1-CZ 2.73Å; E674-R677 IonicContact OE1-NE 2.57Å; E674-R677 IonicContact OE1-NH2 3.58Å; E674-R677 PolarHBondContact OE1-NH2 2.9Å; E674-R677 IonicContact OE2-CZ 3.08Å; E674-R677 IonicContact OE2-NE 3.97Å; E674-R677 PolarHBondContact OE2-NE 3.28Å; E674-R677 IonicContact OE2-NH2 3.59Å; E674-R677 PolarHBondContact OE2-NH2 2.79Å; L675-R677 VanDerWaalsContact C-N 3.33Å; L675-R677 PolarHBondContact O-N 3.13Å; R677-Q681 WeakPolarHBondContact O-CB 3.37Å; R677-Q681 PolarHBondContact O-N 2.77Å
678V95.4Very high93.8Very high2 Ų246.8 Ų46.81%0.01224%0.241CC..Hα-helixtrans-72.8-37.2-175.5179.10000111.6R657 L658 A661 E674 L675 V676 Q681 C682R657-V678 HydrophobicContact CB-CG1 4.04Å; L658-V678 VanDerWaalsContact CA-CG1 3.43Å; L658-V678 HydrophobicContact CB-CG1 3.87Å; L658-V678 HydrophobicContact CD1-CG1 4.12Å; A661-V678 HydrophobicContact CB-CB 4.32Å; A661-V678 HydrophobicContact CB-CG2 4.28Å; E674-V678 VanDerWaalsContact O-CG2 3.29Å; E674-V678 WeakPolarHBondContact O-CG2 3.4Å; E674-V678 PolarHBondContact O-N 3.27Å; E674-V678 WeakPolarHBondContact OE1-CG2 3.37Å; L675-V678 PolarHBondContact O-N 2.96Å; V676-V678 PolarHBondContact O-N 3.32Å; V678-Q681 PolarHBondContact O-N 3.18Å; V678-C682 VanDerWaalsContact O-CB 3.26Å; V678-C682 WeakPolarHBondContact O-CB 3.35Å; V678-C682 PolarHBondContact O-N 3.25Å
679V96.6Very high94.1Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-58.2-50.9173.6166.20000110.8L611 V615 A618 L658 L675 V676 Q681 C682 G683 L723 M726L611-V679 HydrophobicContact CD1-CG2 4.37Å; V615-V679 HydrophobicContact CB-CG1 4.43Å; V615-V679 HydrophobicContact CG2-CG1 3.86Å; V615-V679 HydrophobicContact CG2-CG2 4.45Å; A618-V679 HydrophobicContact CB-CG1 3.96Å; L658-V679 HydrophobicContact CD1-CB 4.28Å; L658-V679 HydrophobicContact CD1-CG2 3.44Å; L658-V679 VanDerWaalsContact CD1-CG2 3.44Å; L675-V679 HydrophobicContact CD1-CG2 3.92Å; L675-V679 HydrophobicContact CG-CG2 4.21Å; L675-V679 WeakPolarHBondContact O-CB 3.25Å; L675-V679 WeakPolarHBondContact O-CG2 3.47Å; L675-V679 PolarHBondContact O-N 3.12Å; V676-V679 PolarHBondContact O-N 2.86Å; V679-Q681 PolarHBondContact O-N 3.24Å; V679-C682 PolarHBondContact O-N 3.43Å; V679-G683 PolarHBondContact O-N 3.3Å; V679-L723 HydrophobicContact CG1-CD2 4.2Å; V679-M726 HydrophobicContact CG2-CE 3.67Å
680T93.3Very high94.5Very high37 Ų3740 Ų4023%0.22720%0.204CC..Hα-helixtrans-64.5-41.4179.5-53.20000111.5V676 C682 G683 H684V676-T680 PolarHBondContact O-N 3.2Å; V676-T680 VanDerWaalsContact O-N 3.15Å; V676-T680 PolarHBondContact O-OG1 2.98Å; V676-T680 VanDerWaalsContact O-OG1 3.11Å; T680-C682 PolarHBondContact O-N 3.49Å; T680-G683 PolarHBondContact O-N 3.37Å; T680-H684 PolarHBondContact O-CD2 3.47Å; T680-H684 PolarHBondContact O-N 3.01Å; T680-H684 VanDerWaalsContact O-N 3.1Å
681Q94.8Very high94.8Very high76 Ų7637.5 Ų37.536%0.35519%0.189SC..Hα-helixtrans-63.2-41.9176.3-172.1-179.122.900112.2R677 V678 V679 G683 H684 L685R677-Q681 WeakPolarHBondContact O-CB 3.37Å; R677-Q681 PolarHBondContact O-N 2.77Å; V678-Q681 PolarHBondContact O-N 3.18Å; V679-Q681 PolarHBondContact O-N 3.24Å; Q681-G683 VanDerWaalsContact C-N 3.34Å; Q681-H684 PolarHBondContact O-N 3.31Å; Q681-L685 HydrophobicContact CG-CD1 3.82Å; Q681-L685 HydrophobicContact CG-CG 4.37Å; Q681-L685 WeakPolarHBondContact O-CB 3.45Å; Q681-L685 WeakPolarHBondContact O-CG 3.48Å; Q681-L685 PolarHBondContact O-N 3.43Å
682C96.4Very high94.9Very high7 Ų737.8 Ų37.85%0.04719%0.186CC..Hα-helixtrans-61.7-43.2176-171.80000110.8L658 V678 V679 T680 H684 L685 V686L658-C682 HydrophobicContact CD2-CB 4.23Å; V678-C682 VanDerWaalsContact O-CB 3.26Å; V678-C682 WeakPolarHBondContact O-CB 3.35Å; V678-C682 PolarHBondContact O-N 3.25Å; V679-C682 PolarHBondContact O-N 3.43Å; T680-C682 PolarHBondContact O-N 3.49Å; C682-H684 PolarHBondContact O-N 2.58Å; C682-L685 PolarHBondContact O-N 3.08Å; C682-V686 WeakPolarHBondContact O-CB 3.29Å; C682-V686 VanDerWaalsContact O-CG2 3.26Å; C682-V686 WeakPolarHBondContact O-CG2 3.48Å; C682-V686 PolarHBondContact O-N 3.22Å
683G96.4Very high94.9Very high3 Ų336.9 Ų36.93%0.03118%0.18CC..Hα-helixtrans-56.7-47.9174.900000112.7I622 V679 T680 Q681 G687I622-G683 WeakPolarHBondContact CD1-O 3.35Å; V679-G683 PolarHBondContact O-N 3.3Å; T680-G683 PolarHBondContact O-N 3.37Å; Q681-G683 VanDerWaalsContact C-N 3.34Å; G683-G687 PolarHBondContact O-N 3.29Å
684H96.1Very high94.8Very high105 Ų10530.2 Ų30.249%0.48615%0.146SC..Hα-helixtrans-64.8-45.9176.8-75.2-65.1000113.5I621 T680 Q681 C682 G687 D688I621-H684 WeakPolarHBondContact CD1-CE1 3.48Å; T680-H684 PolarHBondContact O-CD2 3.47Å; T680-H684 PolarHBondContact O-N 3.01Å; T680-H684 VanDerWaalsContact O-N 3.1Å; Q681-H684 PolarHBondContact O-N 3.31Å; C682-H684 PolarHBondContact O-N 2.58Å; H684-G687 PolarHBondContact O-N 3.26Å; H684-D688 WeakPolarHBondContact O-CB 3.46Å; H684-D688 PolarHBondContact O-N 3.43Å
685L96.3Very high94.8Very high29 Ų2926.5 Ų26.515%0.15213%0.129CC..Hα-helixtrans-68.1-39.4-177.1-72.1170.4000111.8A650 S651 Q681 C682 T689A650-L685 HydrophobicContact CB-CD2 4.11Å; S651-L685 VanDerWaalsContact OG-C 3.31Å; S651-L685 PolarHBondContact OG-O 3.46Å; Q681-L685 HydrophobicContact CG-CD1 3.82Å; Q681-L685 HydrophobicContact CG-CG 4.37Å; Q681-L685 WeakPolarHBondContact O-CB 3.45Å; Q681-L685 WeakPolarHBondContact O-CG 3.48Å; Q681-L685 PolarHBondContact O-N 3.43Å; C682-L685 PolarHBondContact O-N 3.08Å; L685-T689 PolarHBondContact O-N 3.31Å; L685-T689 PolarHBondContact O-OG1 3.2Å
686V97.1Very high94.5Very high2 Ų226.6 Ų26.61%0.01213%0.129CC..Hα-helixtrans-70.1-40.1175.71760000110.4I622 C682 T689 I690 A719 L740 L744I622-V686 HydrophobicContact CD1-CB 3.79Å; I622-V686 HydrophobicContact CD1-CG1 3.73Å; C682-V686 WeakPolarHBondContact O-CB 3.29Å; C682-V686 VanDerWaalsContact O-CG2 3.26Å; C682-V686 WeakPolarHBondContact O-CG2 3.48Å; C682-V686 PolarHBondContact O-N 3.22Å; V686-T689 PolarHBondContact O-N 3.12Å; V686-I690 HydrophobicContact CG1-CD1 4.04Å; V686-I690 VanDerWaalsContact O-CG1 3.26Å; V686-I690 WeakPolarHBondContact O-CG1 3.44Å; V686-I690 PolarHBondContact O-N 3.22Å; V686-A719 HydrophobicContact CG1-CB 3.92Å; V686-L740 HydrophobicContact CG1-CD1 4.3Å; V686-L740 HydrophobicContact CG2-CD2 4.42Å; V686-L744 HydrophobicContact CG2-CD1 4.5Å
687G96.3Very high94.2Very high2 Ų225.1 Ų25.12%0.02112%0.12CC..Hα-helixtrans-59.9-44.7174.200000113.2I622 S625 G683 H684 I690 V691I622-G687 VanDerWaalsContact CD1-N 3.33Å; S625-G687 VanDerWaalsContact OG-CA 3.26Å; S625-G687 WeakPolarHBondContact OG-CA 3.47Å; G683-G687 PolarHBondContact O-N 3.29Å; H684-G687 PolarHBondContact O-N 3.26Å; G687-I690 WeakPolarHBondContact O-CB 3.31Å; G687-I690 PolarHBondContact O-N 2.95Å; G687-V691 PolarHBondContact O-N 2.66Å
688D94.3Very high93.8Very high45 Ų4521.1 Ų21.124%0.24111%0.108CC..Hα-helixtrans-62.8-44.3175.2-166.923000110.9R647 H684 I690 V691 Q692R647-D688 WeakPolarHBondContact CD-OD2 3.41Å; R647-D688 IonicContact NH1-OD2 2.67Å; H684-D688 WeakPolarHBondContact O-CB 3.46Å; H684-D688 PolarHBondContact O-N 3.43Å; D688-I690 VanDerWaalsContact C-N 3.26Å; D688-I690 PolarHBondContact O-N 3.38Å; D688-V691 PolarHBondContact O-N 3.34Å; D688-Q692 WeakPolarHBondContact O-CB 3.44Å; D688-Q692 VanDerWaalsContact O-CG 3.27Å; D688-Q692 WeakPolarHBondContact O-CG 3.28Å; D688-Q692 PolarHBondContact O-N 2.91Å; D688-Q692 PolarHBondContact OD1-NE2 3.23Å
689T96.1Very high93.1Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-59.8-35.5174.5-67.80000112.7L644 R647 C648 S651 L685 V686 G693 L744 I747L644-T689 HydrophobicContact CD1-CG2 4.33Å; R647-T689 VanDerWaalsContact C-OG1 3.3Å; R647-T689 PolarHBondContact O-OG1 3.02Å; C648-T689 HydrophobicContact CB-CG2 4.19Å; S651-T689 PolarHBondContact OG-OG1 3.4Å; L685-T689 PolarHBondContact O-N 3.31Å; L685-T689 PolarHBondContact O-OG1 3.2Å; V686-T689 PolarHBondContact O-N 3.12Å; T689-G693 WeakPolarHBondContact O-CA 3.29Å; T689-G693 PolarHBondContact O-N 3.38Å; T689-L744 HydrophobicContact CG2-CD2 3.84Å; T689-I747 HydrophobicContact CG2-CD1 4.43Å; T689-I747 HydrophobicContact CG2-CG2 4.37Å
690I95.4Very high92.4Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-65.7-50.6175.8-71.8166000110.8I622 L626 I629 V686 G687 D688 G693 S694 V712I622-I690 HydrophobicContact CD1-CD1 4.26Å; I622-I690 HydrophobicContact CG2-CD1 4.06Å; L626-I690 HydrophobicContact CD2-CG2 4.18Å; I629-I690 HydrophobicContact CD1-CG2 3.71Å; I629-I690 HydrophobicContact CG1-CG2 4.15Å; V686-I690 HydrophobicContact CG1-CD1 4.04Å; V686-I690 VanDerWaalsContact O-CG1 3.26Å; V686-I690 WeakPolarHBondContact O-CG1 3.44Å; V686-I690 PolarHBondContact O-N 3.22Å; G687-I690 WeakPolarHBondContact O-CB 3.31Å; G687-I690 PolarHBondContact O-N 2.95Å; D688-I690 VanDerWaalsContact C-N 3.26Å; D688-I690 PolarHBondContact O-N 3.38Å; I690-G693 PolarHBondContact O-N 2.78Å; I690-S694 PolarHBondContact O-N 2.83Å; I690-V712 HydrophobicContact CB-CG1 4.08Å; I690-V712 HydrophobicContact CG1-CG1 4.3Å; I690-V712 HydrophobicContact CG2-CG1 3.67Å; I690-V712 WeakPolarHBondContact O-CG1 3.26Å
691V93.6Very high91.9Very high22 Ų2230.1 Ų30.113%0.13316%0.158CC..Hα-helixtrans-61.2-49.61791580000111.5H634 G687 D688 G693 S694 A695H634-V691 PolarHBondContact CE1-O 3.1Å; H634-V691 VanDerWaalsContact NE2-CG1 3.34Å; H634-V691 WeakPolarHBondContact NE2-CG1 3.22Å; G687-V691 PolarHBondContact O-N 2.66Å; D688-V691 PolarHBondContact O-N 3.34Å; V691-G693 VanDerWaalsContact C-N 3.31Å; V691-G693 PolarHBondContact O-N 3.36Å; V691-S694 PolarHBondContact O-N 2.84Å; V691-A695 PolarHBondContact O-N 3.48Å
692Q92.9Very high91.2Very high34 Ų3431.8 Ų31.816%0.15917%0.173CC..Hα-helixtrans-67.9-32.9178.5-59-44.8-35.200112.3S639 Y643 L644 R647 D688 A695 T696S639-Q692 PolarHBondContact OG-OE1 3.48Å; Y643-Q692 HydrophobicContact CD1-CG 3.88Å; Y643-Q692 HydrophobicContact CE1-CG 3.63Å; L644-Q692 HydrophobicContact CD1-CB 4.13Å; R647-Q692 HydrophobicContact CG-CG 4.11Å; D688-Q692 WeakPolarHBondContact O-CB 3.44Å; D688-Q692 VanDerWaalsContact O-CG 3.27Å; D688-Q692 WeakPolarHBondContact O-CG 3.28Å; D688-Q692 PolarHBondContact O-N 2.91Å; D688-Q692 PolarHBondContact OD1-NE2 3.23Å; Q692-A695 PolarHBondContact O-N 2.77Å; Q692-T696 VanDerWaalsContact O-CB 3.27Å; Q692-T696 WeakPolarHBondContact O-CB 3.29Å; Q692-T696 PolarHBondContact O-N 3.42Å; Q692-T696 PolarHBondContact O-OG1 2.85Å
693G92.7Very high90.4Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-62.7-43.7175.400000111.8T689 I690 V691 T696 S697 L708T689-G693 WeakPolarHBondContact O-CA 3.29Å; T689-G693 PolarHBondContact O-N 3.38Å; I690-G693 PolarHBondContact O-N 2.78Å; V691-G693 VanDerWaalsContact C-N 3.31Å; V691-G693 PolarHBondContact O-N 3.36Å; G693-T696 PolarHBondContact O-N 2.93Å; G693-S697 PolarHBondContact O-N 2.91Å; G693-S697 VanDerWaalsContact O-N 3.12Å; G693-L708 WeakPolarHBondContact O-CD2 3.43Å
694S91.4Very high89.8Confident1 Ų143.7 Ų43.71%0.00723%0.227CC..Hα-helixtrans-63.3-50.7171.81770000111.9I690 V691 T696 S697I690-S694 PolarHBondContact O-N 2.83Å; V691-S694 PolarHBondContact O-N 2.84Å; S694-T696 PolarHBondContact O-N 2.9Å; S694-S697 WeakPolarHBondContact O-CB 3.47Å; S694-S697 PolarHBondContact O-N 3.06Å; S694-S697 PolarHBondContact O-OG 2.83Å
695A90Very high89.3Confident2 Ų239.3 Ų39.32%0.01721%0.209CC..Hα-helixtrans-62-29.2178.900000113.5C637 T638 S639 V691 Q692C637-A695 HydrophobicContact CB-CB 4.18Å; C637-A695 WeakPolarHBondContact O-CA 3.27Å; T638-A695 WeakPolarHBondContact CA-O 3.36Å; S639-A695 PolarHBondContact N-O 3.05Å; S639-A695 VanDerWaalsContact N-O 3.16Å; V691-A695 PolarHBondContact O-N 3.48Å; Q692-A695 PolarHBondContact O-N 2.77Å
696T90.3Very high88.8Confident1 Ų143 Ų431%0.00623%0.229CC..Hα-helixtrans-75.8-30.2175.3-53.70000111.3S639 L644 Q692 G693 S694 H698 M699 L708 L754S639-T696 WeakPolarHBondContact CB-OG1 3.32Å; S639-T696 PolarHBondContact O-OG1 3.45Å; S639-T696 PolarHBondContact OG-OG1 3.44Å; L644-T696 HydrophobicContact CD2-CG2 3.97Å; Q692-T696 VanDerWaalsContact O-CB 3.27Å; Q692-T696 WeakPolarHBondContact O-CB 3.29Å; Q692-T696 PolarHBondContact O-N 3.42Å; Q692-T696 PolarHBondContact O-OG1 2.85Å; G693-T696 PolarHBondContact O-N 2.93Å; S694-T696 PolarHBondContact O-N 2.9Å; T696-H698 PolarHBondContact O-N 3.33Å; T696-M699 PolarHBondContact O-N 3.36Å; T696-M699 VanDerWaalsContact O-N 3.1Å; T696-L708 HydrophobicContact CG2-CD2 4.1Å; T696-L754 HydrophobicContact CG2-CD1 4.42Å
697S89.3Confident88.3Confident6 Ų645 Ų454%0.04225%0.246CC..Hα-helixtrans-65.2-27.7178.481.50000112.1G693 S694 M699 V700 A705 S709G693-S697 PolarHBondContact O-N 2.91Å; G693-S697 VanDerWaalsContact O-N 3.12Å; S694-S697 WeakPolarHBondContact O-CB 3.47Å; S694-S697 PolarHBondContact O-N 3.06Å; S694-S697 PolarHBondContact O-OG 2.83Å; S697-M699 PolarHBondContact O-N 3.1Å; S697-V700 WeakPolarHBondContact O-CG2 3.46Å; S697-A705 WeakPolarHBondContact O-CB 3.46Å; S697-S709 WeakPolarHBondContact CB-OG 3.49Å; S697-S709 PolarHBondContact OG-OG 2.91Å; S697-S709 VanDerWaalsContact OG-OG 3.08Å
698H85.9Confident88.1Confident70 Ų7045 Ų4532%0.32425%0.245SC..THydrogen-bonded Turntrans-68.5-18.2174.9-52.9150.5000114.1H634 I635 C637 T696H634-H698 PolarHBondContact O-CE1 3.03Å; I635-H698 VanDerWaalsContact CA-CE1 3.47Å; I635-H698 WeakPolarHBondContact CA-CE1 3.42Å; I635-H698 PolarHBondContact O-CE1 3.33Å; I635-H698 PolarHBondContact O-ND1 2.91Å; C637-H698 PolarHBondContact O-ND1 3.21Å; T696-H698 PolarHBondContact O-N 3.33Å
699M80.6Confident87.9Confident119 Ų11944.1 Ų44.159%0.58624%0.242SC*.THydrogen-bonded Turntrans-101.83.9-174.1-65.7-60.7-69.500113.6T638 T696 S697T638-M699 VanDerWaalsContact CB-SD 3.56Å; T638-M699 HydrophobicContact CG2-CG 3.9Å; T638-M699 HydrophobicContact CG2-SD 3.3Å; T638-M699 WeakPolarHBondContact CG2-SD 3.5Å; T696-M699 PolarHBondContact O-N 3.36Å; T696-M699 VanDerWaalsContact O-N 3.1Å; S697-M699 PolarHBondContact O-N 3.1Å
700V81.4Confident87.7Confident27 Ų2750.7 Ų50.716%0.16427%0.273CS..SBendtrans-127.3159.3-171.1-57.70000111.1S697 Q704 A705 L754S697-V700 WeakPolarHBondContact O-CG2 3.46Å; V700-Q704 HydrophobicContact CB-CB 4.5Å; V700-Q704 HydrophobicContact CG2-CB 4.2Å; V700-A705 HydrophobicContact CG2-CB 3.99Å; V700-L754 HydrophobicContact CB-CD2 3.76Å; V700-L754 HydrophobicContact CG1-CB 4.31Å; V700-L754 HydrophobicContact CG1-CD1 3.86Å; V700-L754 HydrophobicContact CG1-CD2 3.51Å; V700-L754 HydrophobicContact CG1-CG 4.07Å; V700-L754 HydrophobicContact CG2-CD1 4.4Å; V700-L754 HydrophobicContact CG2-CD2 4.3Å
701P81.9Confident87.6Confident82 Ų8252 Ų5253%0.53228%0.282SS..  trans-54.6145.3-179.9-25.834.5000112.5E703 Q704 A705P701-E703 VanDerWaalsContact C-N 3.28Å; P701-E703 PolarHBondContact O-N 3.18Å; P701-E703 VanDerWaalsContact O-N 3.09Å; P701-Q704 CarbonylContact O-C 3.58Å; P701-Q704 WeakPolarHBondContact O-CA 3.35Å; P701-Q704 WeakPolarHBondContact O-CB 3.28Å; P701-Q704 PolarHBondContact O-N 3.28Å; P701-A705 PolarHBondContact O-N 3.36Å
702V81.3Confident87.6Confident110 Ų11051 Ų5167%0.66728%0.276SS*.Hα-helixtrans-48.9-43.6-172.1-179.30000113.4Q704 A705 D706V702-Q704 VanDerWaalsContact C-N 3.29Å; V702-Q704 PolarHBondContact O-N 2.76Å; V702-A705 WeakPolarHBondContact O-CB 3.32Å; V702-A705 PolarHBondContact O-N 3.32Å; V702-D706 PolarHBondContact O-N 3.4Å
703E78.6Confident87.7Confident172 Ų17253.6 Ų53.680%0.80429%0.287SS*.Hα-helixtrans-62.9-32.9178.3-63.3-177.4173.100113.4P701P701-E703 VanDerWaalsContact C-N 3.28Å; P701-E703 PolarHBondContact O-N 3.18Å; P701-E703 VanDerWaalsContact O-N 3.09Å
704Q84Confident87.8Confident89 Ų8956.3 Ų56.342%0.41630%0.304SS..Hα-helixtrans-85.2-30.6177.6-62.51735.400111.2V700 P701 V702 L708 L754V700-Q704 HydrophobicContact CB-CB 4.5Å; V700-Q704 HydrophobicContact CG2-CB 4.2Å; P701-Q704 CarbonylContact O-C 3.58Å; P701-Q704 WeakPolarHBondContact O-CA 3.35Å; P701-Q704 WeakPolarHBondContact O-CB 3.28Å; P701-Q704 PolarHBondContact O-N 3.28Å; V702-Q704 VanDerWaalsContact C-N 3.29Å; V702-Q704 PolarHBondContact O-N 2.76Å; Q704-L708 VanDerWaalsContact O-CB 3.3Å; Q704-L708 WeakPolarHBondContact O-CB 3.3Å; Q704-L708 PolarHBondContact O-N 3.12Å; Q704-L754 HydrophobicContact CB-CD2 4.14Å
705A85.8Confident88.1Confident13 Ų1356.3 Ų56.311%0.10730%0.303CS..Hα-helixtrans-64.9-45.217500000111.7S697 V700 P701 V702 L708 S709S697-A705 WeakPolarHBondContact O-CB 3.46Å; V700-A705 HydrophobicContact CG2-CB 3.99Å; P701-A705 PolarHBondContact O-N 3.36Å; V702-A705 WeakPolarHBondContact O-CB 3.32Å; V702-A705 PolarHBondContact O-N 3.32Å; A705-L708 PolarHBondContact O-N 3.35Å; A705-S709 VanDerWaalsContact O-CB 3.28Å; A705-S709 WeakPolarHBondContact O-CB 3.38Å; A705-S709 PolarHBondContact O-N 3.15Å; A705-S709 PolarHBondContact O-OG 3.22Å
706D86.1Confident88.3Confident106 Ų10656.2 Ų56.257%0.56730%0.303SS*.Hα-helixtrans-63.9-46.1178-73.1-22.5000111.2V702 L708 S709 E710V702-D706 PolarHBondContact O-N 3.4Å; D706-L708 PolarHBondContact O-N 3.13Å; D706-S709 PolarHBondContact O-N 3.44Å; D706-E710 WeakPolarHBondContact O-CB 3.47Å; D706-E710 PolarHBondContact O-N 3.28Å
707A87.4Confident88.6Confident45 Ų4559 Ų5937%0.37232%0.322SS..Hα-helixtrans-62.9-39.9178.100000112.8S711A707-S711 WeakPolarHBondContact O-CB 3.37Å; A707-S711 PolarHBondContact O-N 3.27Å; A707-S711 VanDerWaalsContact O-N 3.09Å; A707-S711 PolarHBondContact O-OG 2.99Å
708L91.1Very high89Confident0 Ų061.1 Ų61.10%033%0.332CS..Hα-helixtrans-69.3-42.5176.5-177.158000111.3L644 G693 T696 Q704 A705 D706 S711 V712 I747 T750 L754L644-L708 HydrophobicContact CD2-CD1 4.17Å; L644-L708 HydrophobicContact CD2-CD2 4.07Å; G693-L708 WeakPolarHBondContact O-CD2 3.43Å; T696-L708 HydrophobicContact CG2-CD2 4.1Å; Q704-L708 VanDerWaalsContact O-CB 3.3Å; Q704-L708 WeakPolarHBondContact O-CB 3.3Å; Q704-L708 PolarHBondContact O-N 3.12Å; A705-L708 PolarHBondContact O-N 3.35Å; D706-L708 PolarHBondContact O-N 3.13Å; L708-S711 PolarHBondContact O-N 3.15Å; L708-V712 HydrophobicContact CD1-CG2 4.43Å; L708-V712 WeakPolarHBondContact O-CB 3.47Å; L708-V712 VanDerWaalsContact O-CG2 3.24Å; L708-V712 WeakPolarHBondContact O-CG2 3.27Å; L708-V712 PolarHBondContact O-N 2.78Å; L708-I747 HydrophobicContact CD1-CG2 4.15Å; L708-T750 HydrophobicContact CB-CG2 4.19Å; L708-T750 HydrophobicContact CD1-CG2 4.1Å; L708-L754 HydrophobicContact CD2-CD1 3.96Å
709S90.6Very high89.5Confident27 Ų2757.9 Ų57.919%0.18932%0.317CS..Hα-helixtrans-65-39.8178.8-58.80000112.1S697 A705 D706 V712 K713S697-S709 WeakPolarHBondContact CB-OG 3.49Å; S697-S709 PolarHBondContact OG-OG 2.91Å; S697-S709 VanDerWaalsContact OG-OG 3.08Å; A705-S709 VanDerWaalsContact O-CB 3.28Å; A705-S709 WeakPolarHBondContact O-CB 3.38Å; A705-S709 PolarHBondContact O-N 3.15Å; A705-S709 PolarHBondContact O-OG 3.22Å; D706-S709 PolarHBondContact O-N 3.44Å; S709-V712 PolarHBondContact O-N 3.29Å; S709-K713 WeakPolarHBondContact O-CG 3.41Å; S709-K713 PolarHBondContact O-N 3.49Å
710E91.1Very high90.3Very high138 Ų13854.2 Ų54.265%0.64530%0.3SS*.Hα-helixtrans-64-46.3173.2-172.9172.6-162.100111.2D706 V712 K713 T714D706-E710 WeakPolarHBondContact O-CB 3.47Å; D706-E710 PolarHBondContact O-N 3.28Å; E710-V712 VanDerWaalsContact C-N 3.28Å; E710-V712 PolarHBondContact O-N 3.02Å; E710-K713 PolarHBondContact O-N 3.38Å; E710-K713 VanDerWaalsContact O-N 3.15Å; E710-T714 PolarHBondContact O-N 2.93Å; E710-T714 PolarHBondContact O-OG1 2.97Å; E710-T714 VanDerWaalsContact O-OG1 3.14Å
711S93.4Very high90.9Very high27 Ų2755.1 Ų55.119%0.18931%0.31CS..Hα-helixtrans-59.4-39177.9-60.20000112.4A707 L708 C715A707-S711 WeakPolarHBondContact O-CB 3.37Å; A707-S711 PolarHBondContact O-N 3.27Å; A707-S711 VanDerWaalsContact O-N 3.09Å; A707-S711 PolarHBondContact O-OG 2.99Å; L708-S711 PolarHBondContact O-N 3.15Å; S711-C715 WeakPolarHBondContact O-CB 3.39Å; S711-C715 PolarHBondContact O-N 3.39Å
712V94.2Very high91.5Very high1 Ų151.7 Ų51.71%0.00629%0.287CS..Hα-helixtrans-65.8-44.9175.4165.90000111.8I629 I690 L708 S709 E710 C715 G716 I747I629-V712 HydrophobicContact CD1-CG1 3.7Å; I690-V712 HydrophobicContact CB-CG1 4.08Å; I690-V712 HydrophobicContact CG1-CG1 4.3Å; I690-V712 HydrophobicContact CG2-CG1 3.67Å; I690-V712 WeakPolarHBondContact O-CG1 3.26Å; L708-V712 HydrophobicContact CD1-CG2 4.43Å; L708-V712 WeakPolarHBondContact O-CB 3.47Å; L708-V712 VanDerWaalsContact O-CG2 3.24Å; L708-V712 WeakPolarHBondContact O-CG2 3.27Å; L708-V712 PolarHBondContact O-N 2.78Å; S709-V712 PolarHBondContact O-N 3.29Å; E710-V712 VanDerWaalsContact C-N 3.28Å; E710-V712 PolarHBondContact O-N 3.02Å; V712-C715 WeakPolarHBondContact O-CB 3.35Å; V712-C715 PolarHBondContact O-N 3.38Å; V712-G716 PolarHBondContact O-N 3.03Å; V712-I747 HydrophobicContact CG2-CD1 4.01Å; V712-I747 HydrophobicContact CG2-CG1 4.38Å
713K94.3Very high92.2Very high90 Ų9046.9 Ų46.939%0.39126%0.257SS..Hα-helixtrans-64.1-40.8177-72.4-178-179.4-163.40111.5I629 D630 S709 E710 G716 S717I629-K713 HydrophobicContact CD1-CG 4.18Å; D630-K713 IonicContact OD1-NZ 3.6Å; D630-K713 PolarHBondContact OD1-NZ 2.89Å; D630-K713 IonicContact OD2-NZ 3.68Å; S709-K713 WeakPolarHBondContact O-CG 3.41Å; S709-K713 PolarHBondContact O-N 3.49Å; E710-K713 PolarHBondContact O-N 3.38Å; E710-K713 VanDerWaalsContact O-N 3.15Å; K713-G716 PolarHBondContact O-N 3.31Å; K713-S717 PolarHBondContact O-N 2.93Å
714T95.4Very high92.9Very high57 Ų5739.9 Ų39.935%0.3523%0.231SC..Hα-helixtrans-64.1-40.9172.9-57.70000112.1E710 G716 S717 E718E710-T714 PolarHBondContact O-N 2.93Å; E710-T714 PolarHBondContact O-OG1 2.97Å; E710-T714 VanDerWaalsContact O-OG1 3.14Å; T714-G716 VanDerWaalsContact C-N 3.33Å; T714-G716 PolarHBondContact O-N 3.39Å; T714-S717 WeakPolarHBondContact CA-OG 3.26Å; T714-S717 PolarHBondContact O-N 3.25Å; T714-S717 PolarHBondContact O-OG 3.28Å; T714-E718 HydrophobicContact CG2-CG 4.32Å; T714-E718 WeakPolarHBondContact O-CG 3.46Å; T714-E718 PolarHBondContact O-N 3.42Å
715C96.8Very high93.3Very high0 Ų039.2 Ų39.20%023%0.228CC..Hα-helixtrans-59.7-43.6175.7-179.10000111.9S711 V712 A719 L740 L744 I747S711-C715 WeakPolarHBondContact O-CB 3.39Å; S711-C715 PolarHBondContact O-N 3.39Å; V712-C715 WeakPolarHBondContact O-CB 3.35Å; V712-C715 PolarHBondContact O-N 3.38Å; C715-A719 WeakPolarHBondContact O-CB 3.43Å; C715-A719 PolarHBondContact O-N 2.7Å; C715-L740 WeakPolarHBondContact O-CD1 3.41Å; C715-L744 VanDerWaalsContact SG-CD2 3.52Å; C715-I747 HydrophobicContact CB-CD1 3.58Å
716G96.1Very high93.6Very high0 Ų038.7 Ų38.70%022%0.224CC..Hα-helixtrans-66.2-38.9176.400000113.5V712 K713 T714 A719 L720V712-G716 PolarHBondContact O-N 3.03Å; K713-G716 PolarHBondContact O-N 3.31Å; T714-G716 VanDerWaalsContact C-N 3.33Å; T714-G716 PolarHBondContact O-N 3.39Å; G716-A719 PolarHBondContact O-N 2.92Å; G716-L720 WeakPolarHBondContact O-CG 3.48Å; G716-L720 PolarHBondContact O-N 3.38Å
717S95.8Very high93.8Very high60 Ų6036.9 Ų36.942%0.4221%0.211SC..Hα-helixtrans-67.2-41.5177.466.10000112.5K713 T714 A719 L720 A721K713-S717 PolarHBondContact O-N 2.93Å; T714-S717 WeakPolarHBondContact CA-OG 3.26Å; T714-S717 PolarHBondContact O-N 3.25Å; T714-S717 PolarHBondContact O-OG 3.28Å; S717-A719 VanDerWaalsContact C-N 3.35Å; S717-L720 PolarHBondContact O-N 3.03Å; S717-A721 WeakPolarHBondContact O-CB 3.41Å; S717-A721 PolarHBondContact O-N 3.1Å
718E96.8Very high93.9Very high50 Ų5040.7 Ų40.723%0.23422%0.221CC..Hα-helixtrans-68.3-33.8176-66.7-63.7167.900111.8T714 A721 L722 K739 L740T714-E718 HydrophobicContact CG2-CG 4.32Å; T714-E718 WeakPolarHBondContact O-CG 3.46Å; T714-E718 PolarHBondContact O-N 3.42Å; E718-A721 PolarHBondContact O-N 3.14Å; E718-L722 PolarHBondContact O-N 3.5Å; E718-K739 HydrophobicContact CB-CB 4.45Å; E718-K739 HydrophobicContact CG-CB 4.17Å; E718-K739 VanDerWaalsContact OE2-CB 3.27Å; E718-K739 WeakPolarHBondContact OE2-CB 3.26Å; E718-K739 WeakPolarHBondContact OE2-CD 3.31Å; E718-L740 HydrophobicContact CB-CB 4.41Å
719A96.7Very high93.6Very high3 Ų347.8 Ų47.83%0.02525%0.248CC..Hα-helixtrans-63.6-45.5172.200000112.1I622 V686 C715 G716 S717 A721 L722 L723 L740I622-A719 HydrophobicContact CG1-CB 4.47Å; I622-A719 HydrophobicContact CG2-CB 4.24Å; V686-A719 HydrophobicContact CG1-CB 3.92Å; C715-A719 WeakPolarHBondContact O-CB 3.43Å; C715-A719 PolarHBondContact O-N 2.7Å; G716-A719 PolarHBondContact O-N 2.92Å; S717-A719 VanDerWaalsContact C-N 3.35Å; A719-A721 VanDerWaalsContact C-N 3.34Å; A719-A721 PolarHBondContact O-N 2.79Å; A719-L722 PolarHBondContact O-N 2.78Å; A719-L723 VanDerWaalsContact O-CG 3.31Å; A719-L723 WeakPolarHBondContact O-CG 3.48Å; A719-L723 PolarHBondContact O-N 2.95Å; A719-L740 HydrophobicContact CB-CD1 3.81Å; A719-L740 HydrophobicContact CB-CD2 4.19Å
720L96.8Very high93.4Very high42 Ų4254.1 Ų54.122%0.2228%0.279CS..Hα-helixtrans-65.3-36.6176.1-69.8174.9000112.3E619 I622 Q623 L626 G716 S717 G724E619-L720 HydrophobicContact CB-CD2 4.29Å; E619-L720 HydrophobicContact CG-CD2 4.43Å; I622-L720 HydrophobicContact CB-CD2 3.97Å; I622-L720 HydrophobicContact CB-CG 4.42Å; I622-L720 HydrophobicContact CG2-CD1 4.4Å; I622-L720 HydrophobicContact CG2-CD2 3.91Å; I622-L720 HydrophobicContact CG2-CG 3.8Å; Q623-L720 HydrophobicContact CG-CD1 4.07Å; Q623-L720 HydrophobicContact CG-CD2 3.93Å; L626-L720 HydrophobicContact CD1-CD1 3.91Å; G716-L720 WeakPolarHBondContact O-CG 3.48Å; G716-L720 PolarHBondContact O-N 3.38Å; S717-L720 PolarHBondContact O-N 3.03Å; L720-G724 PolarHBondContact O-N 3.49Å
721A95Very high93.2Very high45 Ų4548.5 Ų48.537%0.37226%0.257SS..Hα-helixtrans-64-42.9175.300000112S717 E718 A719 Q725S717-A721 WeakPolarHBondContact O-CB 3.41Å; S717-A721 PolarHBondContact O-N 3.1Å; E718-A721 PolarHBondContact O-N 3.14Å; A719-A721 VanDerWaalsContact C-N 3.34Å; A719-A721 PolarHBondContact O-N 2.79Å; A721-Q725 WeakPolarHBondContact O-CG 3.34Å; A721-Q725 PolarHBondContact O-N 3.47Å
722L95.3Very high93Very high11 Ų1147.3 Ų47.36%0.05825%0.248CC..Hα-helixtrans-62.6-50.1175.417662.2000111.4L658 E718 A719 G724 Q725 M726 A735 L740L658-L722 HydrophobicContact CD2-CD2 4.05Å; E718-L722 PolarHBondContact O-N 3.5Å; A719-L722 PolarHBondContact O-N 2.78Å; L722-G724 VanDerWaalsContact C-N 3.32Å; L722-G724 PolarHBondContact O-N 3.08Å; L722-Q725 WeakPolarHBondContact O-CB 3.46Å; L722-Q725 PolarHBondContact O-N 3.21Å; L722-Q725 VanDerWaalsContact O-N 3.16Å; L722-M726 HydrophobicContact CD1-SD 4.43Å; L722-M726 HydrophobicContact CG-SD 4.32Å; L722-M726 WeakPolarHBondContact O-CG 3.41Å; L722-M726 PolarHBondContact O-N 3.15Å; L722-A735 HydrophobicContact CD1-CB 4.06Å; L722-L740 HydrophobicContact CD2-CD2 3.89Å
723L95.4Very high92.6Very high8 Ų850.4 Ų50.44%0.04227%0.274CS..Hα-helixtrans-62-40.1179.5-68.2172000111.6V615 A618 E619 I622 V679 A719 Q725 M726 K727V615-L723 HydrophobicContact CG1-CB 4.08Å; V615-L723 HydrophobicContact CG1-CD2 4.34Å; V615-L723 WeakPolarHBondContact CG1-O 3.37Å; A618-L723 HydrophobicContact CB-CD1 3.89Å; A618-L723 HydrophobicContact CB-CD2 3.98Å; E619-L723 HydrophobicContact CG-CB 3.62Å; E619-L723 HydrophobicContact CG-CD1 4.04Å; E619-L723 HydrophobicContact CG-CG 4.46Å; I622-L723 HydrophobicContact CG1-CD1 4.29Å; V679-L723 HydrophobicContact CG1-CD2 4.2Å; A719-L723 VanDerWaalsContact O-CG 3.31Å; A719-L723 WeakPolarHBondContact O-CG 3.48Å; A719-L723 PolarHBondContact O-N 2.95Å; L723-Q725 VanDerWaalsContact C-N 3.29Å; L723-Q725 PolarHBondContact O-N 3.41Å; L723-M726 CarbonylContact O-C 3.36Å; L723-M726 WeakPolarHBondContact O-CA 3.46Å; L723-M726 PolarHBondContact O-N 2.97Å; L723-K727 PolarHBondContact O-N 3.49Å
724G93.3Very high92.2Very high25 Ų2549.7 Ų49.726%0.25829%0.285SS..Hα-helixtrans-61.1-34.3175.200000113.7E619 L720 L722 K727E619-G724 WeakPolarHBondContact OE1-CA 3.49Å; E619-G724 PolarHBondContact OE1-N 3.43Å; L720-G724 PolarHBondContact O-N 3.49Å; L722-G724 VanDerWaalsContact C-N 3.32Å; L722-G724 PolarHBondContact O-N 3.08Å; G724-K727 WeakPolarHBondContact O-CB 3.36Å
725Q92.8Very high91.9Very high76 Ų7647 Ų4736%0.35527%0.269SS..Hα-helixtrans-70.8-38.8172.2-68.6169.69.500111.6A721 L722 L723 K727 Q728 A731 L732 A735A721-Q725 WeakPolarHBondContact O-CG 3.34Å; A721-Q725 PolarHBondContact O-N 3.47Å; L722-Q725 WeakPolarHBondContact O-CB 3.46Å; L722-Q725 PolarHBondContact O-N 3.21Å; L722-Q725 VanDerWaalsContact O-N 3.16Å; L723-Q725 VanDerWaalsContact C-N 3.29Å; L723-Q725 PolarHBondContact O-N 3.41Å; Q725-K727 VanDerWaalsContact C-N 3.25Å; Q725-K727 PolarHBondContact O-N 2.92Å; Q725-Q728 PolarHBondContact O-N 2.85Å; Q725-A731 CarbonylContact O-C 3.39Å; Q725-L732 PolarHBondContact O-N 3.26Å; Q725-A735 HydrophobicContact CB-CB 3.95Å
726M92.5Very high91.4Very high2 Ų251 Ų511%0.0129%0.29CS..Hα-helixtrans-69.4-23.2177.4-64.5-174.668.400113.3V615 L658 L675 V679 L722 L723 Q728 L732 A735V615-M726 HydrophobicContact CG1-CB 4.47Å; V615-M726 HydrophobicContact CG2-CB 4.12Å; L658-M726 HydrophobicContact CD1-CE 3.83Å; L658-M726 HydrophobicContact CD1-SD 4.27Å; L658-M726 HydrophobicContact CD2-SD 4.08Å; L658-M726 HydrophobicContact CG-CE 4.36Å; L658-M726 HydrophobicContact CG-SD 4.32Å; L675-M726 HydrophobicContact CD1-CE 3.93Å; V679-M726 HydrophobicContact CG2-CE 3.67Å; L722-M726 HydrophobicContact CD1-SD 4.43Å; L722-M726 HydrophobicContact CG-SD 4.32Å; L722-M726 WeakPolarHBondContact O-CG 3.41Å; L722-M726 PolarHBondContact O-N 3.15Å; L723-M726 CarbonylContact O-C 3.36Å; L723-M726 WeakPolarHBondContact O-CA 3.46Å; L723-M726 PolarHBondContact O-N 2.97Å; M726-Q728 VanDerWaalsContact C-N 3.32Å; M726-L732 HydrophobicContact CB-CD1 3.92Å; M726-L732 HydrophobicContact CE-CD1 4.14Å; M726-L732 HydrophobicContact CG-CD1 3.96Å; M726-A735 HydrophobicContact CG-CB 3.74Å
727K90.3Very high91.2Very high67 Ų6751.5 Ų51.529%0.29130%0.295SS..Hα-helixtrans-70.4-26.3175.9-165.4174.8-170.9160.90113.3Q612 V615 E616 E619 L723 G724 Q725Q612-K727 HydrophobicContact CG-CG 4.23Å; V615-K727 HydrophobicContact CG1-CB 3.95Å; E616-K727 HydrophobicContact CG-CD 4.43Å; E616-K727 VanDerWaalsContact CG-CE 3.48Å; E616-K727 VanDerWaalsContact OE1-CE 3.23Å; E616-K727 WeakPolarHBondContact OE1-CE 3.26Å; E616-K727 IonicContact OE1-NZ 2.64Å; E619-K727 IonicContact OE2-NZ 2.65Å; E619-K727 PolarHBondContact OE2-NZ 3.39Å; L723-K727 PolarHBondContact O-N 3.49Å; G724-K727 WeakPolarHBondContact O-CB 3.36Å; Q725-K727 VanDerWaalsContact C-N 3.25Å; Q725-K727 PolarHBondContact O-N 2.92Å
728Q89.6Confident91Very high126 Ų12651.4 Ų51.459%0.58929%0.294SS*.SBendtrans-98.4127.4-178.4-65-177.83.100111.1Q725 M726 D730 A731 L732Q725-Q728 PolarHBondContact O-N 2.85Å; M726-Q728 VanDerWaalsContact C-N 3.32Å; Q728-D730 VanDerWaalsContact C-N 3.3Å; Q728-D730 PolarHBondContact O-N 3Å; Q728-A731 HydrophobicContact CB-CB 3.87Å; Q728-A731 PolarHBondContact O-N 3.37Å; Q728-A731 VanDerWaalsContact O-N 3.1Å; Q728-L732 PolarHBondContact O-N 3.49Å
729R84.7Confident90.9Very high148 Ų14855.2 Ų55.256%0.55831%0.31SS*.THydrogen-bonded Turntrans-59.2-40.3-176.5-166.9172174.7175.1-1.7113.4W608 A731W608-R729 HydrophobicContact CD2-CB 4.33Å; W608-R729 HydrophobicContact CD2-CG 4.19Å; W608-R729 HydrophobicContact CE3-CB 4.48Å; W608-R729 HydrophobicContact CE3-CG 4.06Å; W608-R729 HydrophobicContact CH2-CB 3.72Å; W608-R729 HydrophobicContact CH2-CG 4.04Å; W608-R729 HydrophobicContact CZ2-CB 3.47Å; W608-R729 VanDerWaalsContact CZ2-CB 3.47Å; W608-R729 HydrophobicContact CZ2-CG 4.11Å; W608-R729 VanDerWaalsContact CZ2-N 3.25Å; W608-R729 HydrophobicContact CZ3-CB 4.18Å; W608-R729 HydrophobicContact CZ3-CG 3.96Å; R729-A731 VanDerWaalsContact C-N 3.33Å
730D84.6Confident90.8Very high160 Ų16055.2 Ų55.286%0.85631%0.31SS*.THydrogen-bonded Turntrans-78.2-20.6-178.5-57.4-35.2000112.6Q728Q728-D730 VanDerWaalsContact C-N 3.3Å; Q728-D730 PolarHBondContact O-N 3Å
731A87.4Confident90.8Very high20 Ų2057.1 Ų57.117%0.16531%0.314CS..THydrogen-bonded Turntrans-98.5-13.6-17900000113.5Q725 Q728 R729 A733 A734 A735Q725-A731 CarbonylContact O-C 3.39Å; Q728-A731 HydrophobicContact CB-CB 3.87Å; Q728-A731 PolarHBondContact O-N 3.37Å; Q728-A731 VanDerWaalsContact O-N 3.1Å; R729-A731 VanDerWaalsContact C-N 3.33Å; A731-A733 PolarHBondContact O-N 2.9Å; A731-A734 CarbonylContact O-C 3.59Å; A731-A734 WeakPolarHBondContact O-CA 3.4Å; A731-A734 PolarHBondContact O-N 2.95Å; A731-A735 PolarHBondContact O-N 2.89Å; A731-A735 VanDerWaalsContact O-N 3.12Å
732L88.8Confident90.8Very high2 Ų257.5 Ų57.51%0.0132%0.317CS..G310 helixtrans-56.3-37-178.3-179.163.9000112.8W608 L611 R662 F665 L666 Q725 M726 Q728 A734 A735W608-L732 HydrophobicContact CH2-CB 4.49Å; W608-L732 HydrophobicContact CH2-CD2 4.2Å; W608-L732 HydrophobicContact CZ3-CD2 3.76Å; L611-L732 HydrophobicContact CD2-CD2 4.01Å; R662-L732 WeakPolarHBondContact CD-O 3.41Å; R662-L732 HydrophobicContact CG-CD1 4.07Å; R662-L732 HydrophobicContact CG-CG 4.43Å; R662-L732 PolarHBondContact NH1-O 3.26Å; F665-L732 HydrophobicContact CD1-CD2 3.76Å; F665-L732 HydrophobicContact CE1-CD2 3.67Å; L666-L732 HydrophobicContact CD2-CD2 4.14Å; L666-L732 HydrophobicContact CD2-CG 4.25Å; Q725-L732 PolarHBondContact O-N 3.26Å; M726-L732 HydrophobicContact CB-CD1 3.92Å; M726-L732 HydrophobicContact CE-CD1 4.14Å; M726-L732 HydrophobicContact CG-CD1 3.96Å; Q728-L732 PolarHBondContact O-N 3.49Å; L732-A734 VanDerWaalsContact C-N 3.28Å; L732-A734 PolarHBondContact O-N 2.9Å; L732-A735 WeakPolarHBondContact O-CB 3.5Å; L732-A735 PolarHBondContact O-N 3.02Å
733A86.6Confident90.8Very high67 Ų6757.7 Ų57.755%0.55432%0.319SS*.G310 helixtrans-67.1-28.9176.500000113R662 L666 A731R662-A733 PolarHBondContact NH1-O 3.34Å; L666-A733 HydrophobicContact CD1-CB 4.24Å; L666-A733 HydrophobicContact CD2-CB 4.46Å; A731-A733 PolarHBondContact O-N 2.9Å
734A85.9Confident90.9Very high74 Ų7457.3 Ų57.361%0.61232%0.317SS*.G310 helixtrans-92.1-4.3179.800000113.9A731 L732 D736A731-A734 CarbonylContact O-C 3.59Å; A731-A734 WeakPolarHBondContact O-CA 3.4Å; A731-A734 PolarHBondContact O-N 2.95Å; L732-A734 VanDerWaalsContact C-N 3.28Å; L732-A734 PolarHBondContact O-N 2.9Å; A734-D736 PolarHBondContact O-N 2.64Å; A734-D736 VanDerWaalsContact O-N 3.17Å
735A89.6Confident90.9Very high2 Ų259.7 Ų59.72%0.01732%0.322CS..  trans-63111.2-17900000112.5R662 L722 Q725 M726 A731 L732R662-A735 PolarHBondContact NE-O 2.99Å; R662-A735 PolarHBondContact NH1-O 3.2Å; R662-A735 PolarHBondContact NH2-O 3.35Å; L722-A735 HydrophobicContact CD1-CB 4.06Å; Q725-A735 HydrophobicContact CB-CB 3.95Å; M726-A735 HydrophobicContact CG-CB 3.74Å; A731-A735 PolarHBondContact O-N 2.89Å; A731-A735 VanDerWaalsContact O-N 3.12Å; L732-A735 WeakPolarHBondContact O-CB 3.5Å; L732-A735 PolarHBondContact O-N 3.02Å
736D86.3Confident91Very high83 Ų8358 Ų5844%0.44432%0.321SS..  trans-115.2121.8-176.1-179.517.7000111.9A734 S738A734-D736 PolarHBondContact O-N 2.64Å; A734-D736 VanDerWaalsContact O-N 3.17Å; D736-S738 VanDerWaalsContact C-N 3.32Å; D736-S738 WeakPolarHBondContact OD1-CB 3.49Å; D736-S738 PolarHBondContact OD1-N 2.72Å; D736-S738 PolarHBondContact OD1-OG 3.06Å; D736-S738 WeakPolarHBondContact OD2-CB 3.3Å; D736-S738 PolarHBondContact OD2-OG 3.01Å
737G90.6Very high91.1Very high10 Ų1058 Ų5810%0.10332%0.321CS..  trans-83.2-0.6179.700000114.7K739 L740 R741G737-K739 VanDerWaalsContact C-N 3.32Å; G737-K739 PolarHBondContact O-N 3.13Å; G737-L740 PolarHBondContact O-N 2.97Å; G737-R741 WeakPolarHBondContact O-CB 3.21Å; G737-R741 PolarHBondContact O-N 3.05Å
738S92.3Very high91.2Very high59 Ų5955.9 Ų55.941%0.41331%0.313SS..Hα-helixtrans-56.5-39.9-175.465.70000114.1D736 R741 A742D736-S738 VanDerWaalsContact C-N 3.32Å; D736-S738 WeakPolarHBondContact OD1-CB 3.49Å; D736-S738 PolarHBondContact OD1-N 2.72Å; D736-S738 PolarHBondContact OD1-OG 3.06Å; D736-S738 WeakPolarHBondContact OD2-CB 3.3Å; D736-S738 PolarHBondContact OD2-OG 3.01Å; S738-R741 PolarHBondContact O-N 3.44Å; S738-A742 WeakPolarHBondContact O-CB 3.48Å; S738-A742 PolarHBondContact O-N 3.39Å
739K93.8Very high91.3Very high129 Ų12952.9 Ų52.956%0.56130%0.303SS*.Hα-helixtrans-71.3-40.8179.5-63.5-175.5179.6-177.80113.3E718 G737 R741 A742 S743E718-K739 HydrophobicContact CB-CB 4.45Å; E718-K739 HydrophobicContact CG-CB 4.17Å; E718-K739 VanDerWaalsContact OE2-CB 3.27Å; E718-K739 WeakPolarHBondContact OE2-CB 3.26Å; E718-K739 WeakPolarHBondContact OE2-CD 3.31Å; G737-K739 VanDerWaalsContact C-N 3.32Å; G737-K739 PolarHBondContact O-N 3.13Å; K739-R741 VanDerWaalsContact C-N 3.33Å; K739-A742 PolarHBondContact O-N 3.16Å; K739-S743 PolarHBondContact O-N 2.84Å; K739-S743 PolarHBondContact O-OG 3.33Å
740L95.8Very high91.5Very high3 Ų347.2 Ų47.22%0.01629%0.285CS..Hα-helixtrans-62.7-44.6173.6174.158.2000110.2V655 V686 C715 E718 A719 L722 G737 A742 S743 L744V655-L740 HydrophobicContact CG2-CD2 3.74Å; V655-L740 HydrophobicContact CG2-CG 4.13Å; V686-L740 HydrophobicContact CG1-CD1 4.3Å; V686-L740 HydrophobicContact CG2-CD2 4.42Å; C715-L740 WeakPolarHBondContact O-CD1 3.41Å; E718-L740 HydrophobicContact CB-CB 4.41Å; A719-L740 HydrophobicContact CB-CD1 3.81Å; A719-L740 HydrophobicContact CB-CD2 4.19Å; L722-L740 HydrophobicContact CD2-CD2 3.89Å; G737-L740 PolarHBondContact O-N 2.97Å; L740-A742 PolarHBondContact O-N 3.46Å; L740-S743 PolarHBondContact O-N 3.19Å; L740-L744 HydrophobicContact CD1-CD1 4.27Å; L740-L744 HydrophobicContact CD1-CG 4.33Å; L740-L744 HydrophobicContact CG-CD1 4.18Å; L740-L744 WeakPolarHBondContact O-CG 3.44Å; L740-L744 PolarHBondContact O-N 3.25Å
741R95.9Very high91.7Very high83 Ų8339.6 Ų39.631%0.31324%0.244SC..Hα-helixtrans-58-48.3175.4-172.5-165.9166.293.88.9111.8L652 V655 E656 G737 S738 K739 S743 L744 E745L652-R741 HydrophobicContact CD2-CB 4.48Å; L652-R741 HydrophobicContact CD2-CG 3.64Å; V655-R741 HydrophobicContact CG1-CB 4.49Å; E656-R741 IonicContact OE1-CZ 3.21Å; E656-R741 IonicContact OE1-NH1 2.91Å; E656-R741 PolarHBondContact OE1-NH1 3.44Å; E656-R741 IonicContact OE1-NH2 3.68Å; G737-R741 WeakPolarHBondContact O-CB 3.21Å; G737-R741 PolarHBondContact O-N 3.05Å; S738-R741 PolarHBondContact O-N 3.44Å; K739-R741 VanDerWaalsContact C-N 3.33Å; R741-S743 VanDerWaalsContact C-N 3.27Å; R741-S743 PolarHBondContact O-N 3.14Å; R741-L744 PolarHBondContact O-N 3.29Å; R741-E745 IonicContact CZ-OE1 3.51Å; R741-E745 VanDerWaalsContact CZ-OE1 3.23Å; R741-E745 IonicContact NE-OE1 3.24Å; R741-E745 PolarHBondContact NE-OE1 2.8Å; R741-E745 IonicContact NH2-OE1 2.68Å; R741-E745 PolarHBondContact NH2-OE1 3.17Å; R741-E745 WeakPolarHBondContact O-CG 3.32Å; R741-E745 PolarHBondContact O-N 3.19Å
742A95.2Very high91.6Very high53 Ų5343.6 Ų43.644%0.43826%0.26SS..Hα-helixtrans-60.5-37.5177.800000112.4S738 K739 L740 E745 A746S738-A742 WeakPolarHBondContact O-CB 3.48Å; S738-A742 PolarHBondContact O-N 3.39Å; K739-A742 PolarHBondContact O-N 3.16Å; L740-A742 PolarHBondContact O-N 3.46Å; A742-E745 PolarHBondContact O-N 2.95Å; A742-A746 PolarHBondContact O-N 3.34Å
743S95.7Very high91.4Very high15 Ų1551.1 Ų51.111%0.10529%0.292CS..Hα-helixtrans-67.8-41.3176.4-56.10000112K739 L740 R741 A746 I747K739-S743 PolarHBondContact O-N 2.84Å; K739-S743 PolarHBondContact O-OG 3.33Å; L740-S743 PolarHBondContact O-N 3.19Å; R741-S743 VanDerWaalsContact C-N 3.27Å; R741-S743 PolarHBondContact O-N 3.14Å; S743-A746 WeakPolarHBondContact O-CB 3.37Å; S743-A746 PolarHBondContact O-N 3.06Å; S743-I747 WeakPolarHBondContact O-CG1 3.27Å; S743-I747 PolarHBondContact O-N 2.83Å; S743-I747 VanDerWaalsContact O-N 3.1Å
744L96.4Very high91Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-64.4-43173.2-72.7168.3000111.6C648 L652 V655 V686 T689 C715 L740 R741 A746 I747 L748C648-L744 PolarHBondContact SG-O 3.18Å; L652-L744 HydrophobicContact CD2-CB 3.61Å; L652-L744 HydrophobicContact CD2-CD1 4.19Å; L652-L744 HydrophobicContact CG-CB 3.96Å; L652-L744 HydrophobicContact CG-CD1 4.44Å; V655-L744 HydrophobicContact CG2-CD1 3.99Å; V686-L744 HydrophobicContact CG2-CD1 4.5Å; T689-L744 HydrophobicContact CG2-CD2 3.84Å; C715-L744 VanDerWaalsContact SG-CD2 3.52Å; L740-L744 HydrophobicContact CD1-CD1 4.27Å; L740-L744 HydrophobicContact CD1-CG 4.33Å; L740-L744 HydrophobicContact CG-CD1 4.18Å; L740-L744 WeakPolarHBondContact O-CG 3.44Å; L740-L744 PolarHBondContact O-N 3.25Å; R741-L744 PolarHBondContact O-N 3.29Å; L744-A746 VanDerWaalsContact C-N 3.26Å; L744-A746 PolarHBondContact O-N 3.29Å; L744-I747 PolarHBondContact O-N 3Å; L744-I747 VanDerWaalsContact O-N 3.17Å; L744-L748 WeakPolarHBondContact O-CB 3.39Å; L744-L748 PolarHBondContact O-N 3.24Å
745E95.2Very high90.2Very high74 Ų7450 Ų5035%0.34626%0.263SS..Hα-helixtrans-60.6-34.7175.4-73.7174.1175.100112.2L652 R741 A742 T749L652-E745 HydrophobicContact CD1-CG 4.22Å; L652-E745 HydrophobicContact CD2-CG 3.92Å; R741-E745 IonicContact CZ-OE1 3.51Å; R741-E745 VanDerWaalsContact CZ-OE1 3.23Å; R741-E745 IonicContact NE-OE1 3.24Å; R741-E745 PolarHBondContact NE-OE1 2.8Å; R741-E745 IonicContact NH2-OE1 2.68Å; R741-E745 PolarHBondContact NH2-OE1 3.17Å; R741-E745 WeakPolarHBondContact O-CG 3.32Å; R741-E745 PolarHBondContact O-N 3.19Å; A742-E745 PolarHBondContact O-N 2.95Å; E745-T749 WeakPolarHBondContact O-CB 3.22Å; E745-T749 PolarHBondContact O-N 3.15Å; E745-T749 PolarHBondContact O-OG1 2.88Å
746A93.4Very high88.5Confident42 Ų4254.6 Ų54.635%0.34729%0.293SS..Hα-helixtrans-67.8-41.5174.100000112.7A742 S743 L744 T750A742-A746 PolarHBondContact O-N 3.34Å; S743-A746 WeakPolarHBondContact O-CB 3.37Å; S743-A746 PolarHBondContact O-N 3.06Å; L744-A746 VanDerWaalsContact C-N 3.26Å; L744-A746 PolarHBondContact O-N 3.29Å; A746-T750 WeakPolarHBondContact O-CB 3.42Å; A746-T750 PolarHBondContact O-N 3.33Å; A746-T750 VanDerWaalsContact O-N 3.07Å; A746-T750 PolarHBondContact O-OG1 3.05Å
747I94.3Very high86.8Confident0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-62.8-47.4173.6-67.2169.4000110.1L644 T689 L708 V712 C715 S743 L744 T749 T750 A751L644-I747 HydrophobicContact CD1-CG2 4.11Å; L644-I747 HydrophobicContact CD2-CG2 4.31Å; L644-I747 HydrophobicContact CG-CG2 4.34Å; T689-I747 HydrophobicContact CG2-CD1 4.43Å; T689-I747 HydrophobicContact CG2-CG2 4.37Å; L708-I747 HydrophobicContact CD1-CG2 4.15Å; V712-I747 HydrophobicContact CG2-CD1 4.01Å; V712-I747 HydrophobicContact CG2-CG1 4.38Å; C715-I747 HydrophobicContact CB-CD1 3.58Å; S743-I747 WeakPolarHBondContact O-CG1 3.27Å; S743-I747 PolarHBondContact O-N 2.83Å; S743-I747 VanDerWaalsContact O-N 3.1Å; L744-I747 PolarHBondContact O-N 3Å; L744-I747 VanDerWaalsContact O-N 3.17Å; I747-T749 PolarHBondContact O-N 2.94Å; I747-T750 PolarHBondContact O-N 3.36Å; I747-T750 VanDerWaalsContact O-N 3.13Å; I747-A751 WeakPolarHBondContact O-CB 3.35Å; I747-A751 PolarHBondContact O-N 3.39Å
748L93.3Very high84.5Confident23 Ų2364.2 Ų64.212%0.1234%0.34CS..Hα-helixtrans-57.4-49.6178.5179.962.5000111.4V645 C648 Q649 L652 L744 T750 A751 E752V645-L748 HydrophobicContact CB-CD1 4.22Å; V645-L748 HydrophobicContact CG1-CD1 3.83Å; V645-L748 HydrophobicContact CG2-CD1 4.24Å; C648-L748 HydrophobicContact CB-CB 4.34Å; C648-L748 HydrophobicContact CB-CD1 4.29Å; Q649-L748 HydrophobicContact CG-CD1 4.04Å; Q649-L748 HydrophobicContact CG-CD2 4.29Å; L652-L748 HydrophobicContact CD1-CD2 3.88Å; L744-L748 WeakPolarHBondContact O-CB 3.39Å; L744-L748 PolarHBondContact O-N 3.24Å; L748-T750 PolarHBondContact O-N 3.29Å; L748-A751 PolarHBondContact O-N 3.42Å; L748-E752 HydrophobicContact CD1-CG 4.37Å; L748-E752 WeakPolarHBondContact O-CG 3.2Å; L748-E752 PolarHBondContact O-N 3.02Å
749T91.8Very high82.3Confident64 Ų6468.5 Ų68.539%0.39336%0.358SS..Hα-helixtrans-60.1-34.8178.2-58.30000112E745 I747 K753E745-T749 WeakPolarHBondContact O-CB 3.22Å; E745-T749 PolarHBondContact O-N 3.15Å; E745-T749 PolarHBondContact O-OG1 2.88Å; I747-T749 PolarHBondContact O-N 2.94Å; T749-K753 WeakPolarHBondContact O-CD 3.5Å; T749-K753 VanDerWaalsContact O-CG 3.32Å; T749-K753 WeakPolarHBondContact O-CG 3.33Å
750T89.2Confident80.1Confident28 Ų2869.8 Ų69.817%0.17237%0.366CS..Hα-helixtrans-73.5-45.4177.3-55.70000110.4L708 A746 I747 L748 E752 K753 L754L708-T750 HydrophobicContact CB-CG2 4.19Å; L708-T750 HydrophobicContact CD1-CG2 4.1Å; A746-T750 WeakPolarHBondContact O-CB 3.42Å; A746-T750 PolarHBondContact O-N 3.33Å; A746-T750 VanDerWaalsContact O-N 3.07Å; A746-T750 PolarHBondContact O-OG1 3.05Å; I747-T750 PolarHBondContact O-N 3.36Å; I747-T750 VanDerWaalsContact O-N 3.13Å; L748-T750 PolarHBondContact O-N 3.29Å; T750-E752 PolarHBondContact O-N 3.4Å; T750-K753 WeakPolarHBondContact O-CB 3.44Å; T750-K753 PolarHBondContact O-N 2.96Å; T750-K753 VanDerWaalsContact O-N 3.14Å; T750-L754 HydrophobicContact CG2-CD1 4.26Å; T750-L754 VanDerWaalsContact O-CG 3.3Å; T750-L754 WeakPolarHBondContact O-CG 3.48Å; T750-L754 PolarHBondContact O-N 3.06Å
751A88.3Confident77.8Confident0 Ų078 Ų780%041%0.409CS..Hα-helixtrans-60.4-40.417700000112.7L644 V645 I747 L748 K753 L754L644-A751 HydrophobicContact CB-CB 4.32Å; L644-A751 HydrophobicContact CD2-CB 3.72Å; L644-A751 HydrophobicContact CG-CB 3.86Å; V645-A751 HydrophobicContact CG2-CB 3.63Å; I747-A751 WeakPolarHBondContact O-CB 3.35Å; I747-A751 PolarHBondContact O-N 3.39Å; L748-A751 PolarHBondContact O-N 3.42Å; A751-K753 VanDerWaalsContact C-N 3.28Å; A751-K753 PolarHBondContact O-N 2.98Å; A751-L754 WeakPolarHBondContact O-CB 3.49Å; A751-L754 PolarHBondContact O-N 3.38Å; A751-L754 VanDerWaalsContact O-N 3.1Å
752E85.8Confident75.7Confident105 Ų10580.4 Ų80.449%0.49142%0.424SS..Hα-helixtrans-63.7-31.1176.2-73.5176.4167.200113V645 L748 T750 L754V645-E752 HydrophobicContact CG2-CG 3.97Å; L748-E752 HydrophobicContact CD1-CG 4.37Å; L748-E752 WeakPolarHBondContact O-CG 3.2Å; L748-E752 PolarHBondContact O-N 3.02Å; T750-E752 PolarHBondContact O-N 3.4Å; E752-L754 VanDerWaalsContact C-N 3.29Å
753K84.1Confident73.6Confident160 Ų16081.6 Ų81.670%0.69642%0.42SS*.Hα-helixtrans-74.8-19.8175.9-69.2170.1-172.4171.50113.1T749 T750 A751 H755T749-K753 WeakPolarHBondContact O-CD 3.5Å; T749-K753 VanDerWaalsContact O-CG 3.32Å; T749-K753 WeakPolarHBondContact O-CG 3.33Å; T750-K753 WeakPolarHBondContact O-CB 3.44Å; T750-K753 PolarHBondContact O-N 2.96Å; T750-K753 VanDerWaalsContact O-N 3.14Å; A751-K753 VanDerWaalsContact C-N 3.28Å; A751-K753 PolarHBondContact O-N 2.98Å; K753-H755 VanDerWaalsContact C-N 3.34Å
754L78.5Confident71.6Confident22 Ų2283.8 Ų83.812%0.11545%0.445CS..THydrogen-bonded Turntrans-88.61.7-177.4-65.9170000113.4A641 T696 V700 Q704 L708 T750 A751 E752A641-L754 HydrophobicContact CB-CB 3.79Å; T696-L754 HydrophobicContact CG2-CD1 4.42Å; V700-L754 HydrophobicContact CB-CD2 3.76Å; V700-L754 HydrophobicContact CG1-CB 4.31Å; V700-L754 HydrophobicContact CG1-CD1 3.86Å; V700-L754 HydrophobicContact CG1-CD2 3.51Å; V700-L754 HydrophobicContact CG1-CG 4.07Å; V700-L754 HydrophobicContact CG2-CD1 4.4Å; V700-L754 HydrophobicContact CG2-CD2 4.3Å; Q704-L754 HydrophobicContact CB-CD2 4.14Å; L708-L754 HydrophobicContact CD2-CD1 3.96Å; T750-L754 HydrophobicContact CG2-CD1 4.26Å; T750-L754 VanDerWaalsContact O-CG 3.3Å; T750-L754 WeakPolarHBondContact O-CG 3.48Å; T750-L754 PolarHBondContact O-N 3.06Å; A751-L754 WeakPolarHBondContact O-CB 3.49Å; A751-L754 PolarHBondContact O-N 3.38Å; A751-L754 VanDerWaalsContact O-N 3.1Å; E752-L754 VanDerWaalsContact C-N 3.29Å
755H68.3Low69.9Low95 Ų9590.3 Ų90.344%0.4448%0.476SS..SBendtrans-62.3128.4178.8-161.398.2000111.3D642 K753 R757D642-H755 VanDerWaalsContact CG-CE1 3.5Å; D642-H755 IonicContact OD1-CE1 2.93Å; D642-H755 PolarHBondContact OD1-CE1 3.12Å; D642-H755 IonicContact OD1-CG 3.66Å; D642-H755 IonicContact OD1-ND1 2.84Å; D642-H755 PolarHBondContact OD1-ND1 3.28Å; D642-H755 IonicContact OD2-CE1 3.13Å; D642-H755 PolarHBondContact OD2-CE1 3.47Å; D642-H755 IonicContact OD2-ND1 3.06Å; K753-H755 VanDerWaalsContact C-N 3.34Å; H755-R757 PolarHBondContact O-N 3.1Å; H755-R757 VanDerWaalsContact O-N 3.12Å
756P55.6Low68.6Low98 Ų9887.4 Ų87.464%0.63646%0.462SS*.  trans-65.1113.3-179.9-16.728.8000111G758P756-G758 PolarHBondContact O-N 3.34Å; P756-G758 VanDerWaalsContact O-N 3.12Å
757R50.3Low67.3Low230 Ų23085.8 Ų85.887%0.86845%0.449SS*.  trans-77.316176.7-67-177.4173.6-178.1-2.6114H755H755-R757 PolarHBondContact O-N 3.1Å; H755-R757 VanDerWaalsContact O-N 3.12Å
758G42.6Very low66.4Low66 Ų6689.5 Ų89.568%0.6847%0.469SS*.  trans-97.2-6.8-158.500000118.7P756P756-G758 PolarHBondContact O-N 3.34Å; P756-G758 VanDerWaalsContact O-N 3.12Å
759L45.2Very low65.6Low148 Ų14891.5 Ų91.578%0.77548%0.48SS*.  trans-134.433.5-172.4-82.5158.2000113.9L761L759-L761 VanDerWaalsContact C-N 3.25Å; L759-L761 PolarHBondContact O-N 3.19Å
760E46.9Very low65.2Low156 Ų15688.6 Ų88.673%0.72946%0.462SS*.THydrogen-bonded Turntrans-75.9-6.4175.3-74.9-179.216000113.8Q762E760-Q762 PolarHBondContact O-N 2.82Å
761L47.1Very low64.8Low175 Ų17591.3 Ų91.392%0.91647%0.473SS*.THydrogen-bonded Turntrans-83.3-7.2-171.2-81.6159.6000116.4L759L759-L761 VanDerWaalsContact C-N 3.25Å; L759-L761 PolarHBondContact O-N 3.19Å
762Q52.5Low64.7Low135 Ų13597.5 Ų97.563%0.63150%0.501SS*.SBendtrans-126.41.8179.1-78.5-172.9-23.600115.6E760 G764 E765 L766E760-Q762 PolarHBondContact O-N 2.82Å; Q762-G764 PolarHBondContact O-N 3.13Å; Q762-G764 VanDerWaalsContact O-N 3.14Å; Q762-E765 PolarHBondContact O-N 3.46Å; Q762-L766 HydrophobicContact CB-CD1 4.41Å; Q762-L766 WeakPolarHBondContact O-CD1 3.16Å
763Q51.3Low64.9Low78 Ų7894 Ų9436%0.36449%0.485SS..THydrogen-bonded Turntrans-64.1-21.9-177-75.2-174.515.200114E765 A850Q763-E765 PolarHBondContact O-N 2.9Å; Q763-A850 HydrophobicContact CB-CB 4.1Å; Q763-A850 VanDerWaalsContact O-CB 3.25Å; Q763-A850 WeakPolarHBondContact O-CB 3Å
764G54.6Low65Low61 Ų6186.6 Ų86.663%0.62945%0.453SS*.THydrogen-bonded Turntrans-72-21.617800000115.5Q762Q762-G764 PolarHBondContact O-N 3.13Å; Q762-G764 VanDerWaalsContact O-N 3.14Å
765E60.5Low65.5Low137 Ų13787.9 Ų87.964%0.6447%0.467SS*.THydrogen-bonded Turntrans-108-14.5-171.3-65.3-174161.600113.9Q762 Q763 G767 D768 L769Q762-E765 PolarHBondContact O-N 3.46Å; Q763-E765 PolarHBondContact O-N 2.9Å; E765-G767 VanDerWaalsContact C-N 3.26Å; E765-G767 PolarHBondContact O-N 2.99Å; E765-D768 PolarHBondContact O-N 2.9Å; E765-D768 VanDerWaalsContact O-N 3.14Å; E765-L769 PolarHBondContact O-N 3.14Å; E765-L769 VanDerWaalsContact O-N 3.14Å
766L66.6Low66.6Low13 Ų1385.6 Ų85.67%0.06847%0.465CS..Hα-helixtrans-57.9-35.8-178.2-102.377.7000113.1Q762 L769 V770 T856 E857Q762-L766 HydrophobicContact CB-CD1 4.41Å; Q762-L766 WeakPolarHBondContact O-CD1 3.16Å; L766-L769 PolarHBondContact O-N 2.83Å; L766-V770 WeakPolarHBondContact O-CG2 3.35Å; L766-V770 PolarHBondContact O-N 3.07Å; L766-V770 VanDerWaalsContact O-N 3.16Å; L766-T856 HydrophobicContact CB-CG2 4.19Å; L766-T856 HydrophobicContact CD2-CG2 3.92Å; L766-T856 HydrophobicContact CG-CG2 4.34Å; L766-E857 HydrophobicContact CD2-CG 4.18Å
767G67.8Low68.4Low7 Ų781 Ų817%0.07244%0.435CS..Hα-helixtrans-66.9-34.9179.200000114E765E765-G767 VanDerWaalsContact C-N 3.26Å; E765-G767 PolarHBondContact O-N 2.99Å
768D73.6Confident70.4Confident78 Ų7871 Ų7142%0.41740%0.4SS..Hα-helixtrans-74.8-32.9175-67-38000110.7E765 E771 Q772 K846E765-D768 PolarHBondContact O-N 2.9Å; E765-D768 VanDerWaalsContact O-N 3.14Å; D768-E771 PolarHBondContact O-N 2.79Å; D768-Q772 VanDerWaalsContact O-CB 3.28Å; D768-Q772 WeakPolarHBondContact O-CB 3.19Å; D768-Q772 PolarHBondContact O-N 3.13Å; D768-K846 WeakPolarHBondContact OD1-CE 3.43Å; D768-K846 IonicContact OD1-NZ 3.76Å; D768-K846 PolarHBondContact OD1-NZ 3.12Å; D768-K846 IonicContact OD2-NZ 3.27Å; D768-K846 PolarHBondContact OD2-NZ 3.36Å
769L77.9Confident72.7Confident65 Ų6570.4 Ų70.434%0.3439%0.389SS..Hα-helixtrans-69.2-33.8-179.1-164.562.7000113.1E765 L766 E773 I860E765-L769 PolarHBondContact O-N 3.14Å; E765-L769 VanDerWaalsContact O-N 3.14Å; L766-L769 PolarHBondContact O-N 2.83Å; L769-E773 WeakPolarHBondContact O-CB 3.5Å; L769-E773 PolarHBondContact O-N 3.24Å; L769-I860 HydrophobicContact CB-CD1 4.13Å; L769-I860 HydrophobicContact CD2-CD1 4.05Å; L769-I860 HydrophobicContact CG-CD1 4.02Å
770V82.3Confident74.9Confident3 Ų364.7 Ų64.72%0.01836%0.363CS..Hα-helixtrans-61.8-50.4174.3176.60000111.3L766 E773 M774 Y849 T856 L859 I860L766-V770 WeakPolarHBondContact O-CG2 3.35Å; L766-V770 PolarHBondContact O-N 3.07Å; L766-V770 VanDerWaalsContact O-N 3.16Å; V770-E773 PolarHBondContact O-N 3.22Å; V770-M774 WeakPolarHBondContact O-CB 3.33Å; V770-M774 VanDerWaalsContact O-CG 3.31Å; V770-M774 WeakPolarHBondContact O-CG 3.49Å; V770-M774 PolarHBondContact O-N 3.13Å; V770-Y849 HydrophobicContact CG1-CE1 4.28Å; V770-Y849 HydrophobicContact CG2-CD1 4.1Å; V770-Y849 HydrophobicContact CG2-CE1 4.19Å; V770-Y849 HydrophobicContact CG2-CG 4.38Å; V770-T856 HydrophobicContact CG2-CG2 3.29Å; V770-L859 HydrophobicContact CG1-CD2 4Å; V770-I860 HydrophobicContact CB-CG1 4.47Å; V770-I860 HydrophobicContact CG2-CD1 3.83Å; V770-I860 HydrophobicContact CG2-CG1 3.86Å
771E81.8Confident77.2Confident86 Ų8657.3 Ų57.340%0.40233%0.328SS..Hα-helixtrans-67.8-40.5-178-17561.8-149.500110.9D768 A775 K829D768-E771 PolarHBondContact O-N 2.79Å; E771-A775 VanDerWaalsContact O-CB 3.27Å; E771-A775 WeakPolarHBondContact O-CB 3.25Å; E771-A775 PolarHBondContact O-N 2.94Å; E771-K829 WeakPolarHBondContact OE1-CE 3.33Å; E771-K829 IonicContact OE1-NZ 2.7Å; E771-K829 PolarHBondContact OE1-NZ 3.32Å
772Q85.3Confident79.3Confident129 Ų12953.3 Ų53.360%0.60331%0.305SS*.Hα-helixtrans-60.7-46.2174.6-176.61785.900111.7D768 A775 A776D768-Q772 VanDerWaalsContact O-CB 3.28Å; D768-Q772 WeakPolarHBondContact O-CB 3.19Å; D768-Q772 PolarHBondContact O-N 3.13Å; Q772-A775 PolarHBondContact O-N 3.31Å; Q772-A776 WeakPolarHBondContact O-CB 3.35Å; Q772-A776 PolarHBondContact O-N 3.1Å
773E89.8Confident81.2Confident32 Ų3250.3 Ų50.315%0.1530%0.299CS..Hα-helixtrans-69.6-42.5-178.5-166.460.9-134.300111.7L769 V770 A775 A776 T777 I860 K864L769-E773 WeakPolarHBondContact O-CB 3.5Å; L769-E773 PolarHBondContact O-N 3.24Å; V770-E773 PolarHBondContact O-N 3.22Å; E773-A775 VanDerWaalsContact C-N 3.29Å; E773-A775 PolarHBondContact O-N 2.97Å; E773-A776 PolarHBondContact O-N 3.22Å; E773-T777 WeakPolarHBondContact O-CB 3.09Å; E773-T777 PolarHBondContact O-N 3.37Å; E773-T777 PolarHBondContact O-OG1 3.31Å; E773-T777 VanDerWaalsContact O-OG1 3.08Å; E773-I860 HydrophobicContact CB-CG2 4.25Å; E773-I860 HydrophobicContact CG-CG2 4.03Å; E773-K864 HydrophobicContact CG-CD 4.42Å; E773-K864 HydrophobicContact CG-CG 3.69Å; E773-K864 WeakPolarHBondContact OE1-CG 3.12Å; E773-K864 WeakPolarHBondContact OE2-CE 3.3Å; E773-K864 IonicContact OE2-NZ 3.22Å
774M87.8Confident83.1Confident4 Ų446.9 Ų46.92%0.0228%0.284CS..Hα-helixtrans-61.4-39.1175-75.5-60.9-154.200112.5V770 S778 S828 L859 S863 L904V770-M774 WeakPolarHBondContact O-CB 3.33Å; V770-M774 VanDerWaalsContact O-CG 3.31Å; V770-M774 WeakPolarHBondContact O-CG 3.49Å; V770-M774 PolarHBondContact O-N 3.13Å; M774-S778 WeakPolarHBondContact O-CB 3.45Å; M774-S778 PolarHBondContact O-N 3.43Å; M774-S828 WeakPolarHBondContact CE-OG 3.19Å; M774-L859 HydrophobicContact CE-CD1 4.25Å; M774-L859 HydrophobicContact CE-CG 4.44Å; M774-S863 PolarHBondContact SD-OG 3.11Å; M774-L904 HydrophobicContact CE-CD1 3.94Å
775A88.5Confident84.9Confident49 Ų4945 Ų4541%0.40526%0.262SS..Hα-helixtrans-66-42.2173.500000111.9E771 Q772 E773 S778 A779E771-A775 VanDerWaalsContact O-CB 3.27Å; E771-A775 WeakPolarHBondContact O-CB 3.25Å; E771-A775 PolarHBondContact O-N 2.94Å; Q772-A775 PolarHBondContact O-N 3.31Å; E773-A775 VanDerWaalsContact C-N 3.29Å; E773-A775 PolarHBondContact O-N 2.97Å; A775-S778 PolarHBondContact O-N 3.4Å; A775-A779 WeakPolarHBondContact O-CB 3.26Å; A775-A779 PolarHBondContact O-N 3.03Å
776A91Very high86.4Confident48 Ų4841.1 Ų41.140%0.39725%0.254SS..Hα-helixtrans-63.2-45.8177.500000112Q772 E773 S778 A779 A780Q772-A776 WeakPolarHBondContact O-CB 3.35Å; Q772-A776 PolarHBondContact O-N 3.1Å; E773-A776 PolarHBondContact O-N 3.22Å; A776-S778 PolarHBondContact O-N 3.36Å; A776-A779 PolarHBondContact O-N 3.48Å; A776-A780 WeakPolarHBondContact O-CB 3.21Å; A776-A780 PolarHBondContact O-N 2.92Å
777T92.4Very high87.7Confident2 Ų244.5 Ų44.51%0.01227%0.265CS..Hα-helixtrans-60.8-44.1175.2-62.20000111.6E773 A779 A780 V781 I825 S863 V866E773-T777 WeakPolarHBondContact O-CB 3.09Å; E773-T777 PolarHBondContact O-N 3.37Å; E773-T777 PolarHBondContact O-OG1 3.31Å; E773-T777 VanDerWaalsContact O-OG1 3.08Å; T777-A779 VanDerWaalsContact C-N 3.34Å; T777-A779 PolarHBondContact O-N 2.91Å; T777-A780 PolarHBondContact O-N 3.46Å; T777-V781 WeakPolarHBondContact O-CG2 3.49Å; T777-V781 PolarHBondContact O-N 3.43Å; T777-V781 VanDerWaalsContact O-N 3.07Å; T777-I825 HydrophobicContact CG2-CD1 3.74Å; T777-I825 HydrophobicContact CG2-CG1 4.25Å; T777-S863 WeakPolarHBondContact CB-OG 3.4Å; T777-S863 WeakPolarHBondContact CG2-O 3.42Å; T777-S863 PolarHBondContact OG1-O 3.48Å; T777-S863 PolarHBondContact OG1-OG 2.88Å; T777-V866 HydrophobicContact CG2-CB 4.1Å; T777-V866 HydrophobicContact CG2-CG1 4.06Å
778S92.1Very high88.8Confident20 Ų2044.1 Ų44.114%0.1426%0.262CS..Hα-helixtrans-60.7-43.2175.1-171.50000111.9M774 A775 A776 V781 E782M774-S778 WeakPolarHBondContact O-CB 3.45Å; M774-S778 PolarHBondContact O-N 3.43Å; A775-S778 PolarHBondContact O-N 3.4Å; A776-S778 PolarHBondContact O-N 3.36Å; S778-V781 PolarHBondContact O-N 3.44Å; S778-E782 WeakPolarHBondContact O-CG 3.4Å; S778-E782 PolarHBondContact O-N 3.02Å
779A91.8Very high89.5Confident53 Ų5345.8 Ų45.844%0.43827%0.267SS..Hα-helixtrans-66.1-38177.900000112.3A775 A776 T777 E782 S783A775-A779 WeakPolarHBondContact O-CB 3.26Å; A775-A779 PolarHBondContact O-N 3.03Å; A776-A779 PolarHBondContact O-N 3.48Å; T777-A779 VanDerWaalsContact C-N 3.34Å; T777-A779 PolarHBondContact O-N 2.91Å; A779-E782 PolarHBondContact O-N 2.88Å; A779-S783 WeakPolarHBondContact O-CB 3.31Å; A779-S783 PolarHBondContact O-N 3.28Å
780A92.4Very high90.1Very high27 Ų2747.5 Ų47.522%0.22327%0.273CS..Hα-helixtrans-62.1-42.8175.600000111.7A776 T777 S783 A784A776-A780 WeakPolarHBondContact O-CB 3.21Å; A776-A780 PolarHBondContact O-N 2.92Å; T777-A780 PolarHBondContact O-N 3.46Å; A780-S783 PolarHBondContact O-N 2.95Å; A780-A784 VanDerWaalsContact O-CB 3.25Å; A780-A784 WeakPolarHBondContact O-CB 3.48Å; A780-A784 PolarHBondContact O-N 3.14Å
781V93.3Very high90.6Very high1 Ų147.9 Ų47.91%0.00628%0.275CS..Hα-helixtrans-67.3-39.1176.8173.20000112T777 S778 A784 A785 M818 I821 K822 I825 A870T777-V781 WeakPolarHBondContact O-CG2 3.49Å; T777-V781 PolarHBondContact O-N 3.43Å; T777-V781 VanDerWaalsContact O-N 3.07Å; S778-V781 PolarHBondContact O-N 3.44Å; V781-A784 WeakPolarHBondContact O-CB 3.5Å; V781-A784 PolarHBondContact O-N 2.88Å; V781-A785 PolarHBondContact O-N 3.49Å; V781-M818 WeakPolarHBondContact CG1-O 3.23Å; V781-M818 HydrophobicContact CG1-SD 4.14Å; V781-I821 HydrophobicContact CG1-CB 4.43Å; V781-I821 HydrophobicContact CG1-CG2 4.2Å; V781-I821 HydrophobicContact CG2-CG2 3.85Å; V781-K822 HydrophobicContact CG1-CB 4.04Å; V781-I825 HydrophobicContact CB-CD1 4.28Å; V781-I825 HydrophobicContact CG2-CD1 3.63Å; V781-A870 HydrophobicContact CG2-CB 3.77Å
782E91.8Very high90.8Very high92 Ų9245.1 Ų45.143%0.4326%0.263SS..Hα-helixtrans-66.4-42174.8-73.2-176.5162.700112.4S778 A779 A784 A785 A786 K822S778-E782 WeakPolarHBondContact O-CG 3.4Å; S778-E782 PolarHBondContact O-N 3.02Å; A779-E782 PolarHBondContact O-N 2.88Å; E782-A784 VanDerWaalsContact C-N 3.31Å; E782-A784 PolarHBondContact O-N 3.47Å; E782-A785 PolarHBondContact O-N 3.32Å; E782-A786 PolarHBondContact O-N 3.04Å; E782-K822 HydrophobicContact CG-CD 4.13Å; E782-K822 WeakPolarHBondContact OE1-CE 3.2Å; E782-K822 IonicContact OE1-NZ 3.48Å; E782-K822 PolarHBondContact OE1-NZ 3.17Å
783S92.4Very high90.9Very high72 Ų7243.7 Ų43.750%0.50326%0.259SS..Hα-helixtrans-63.7-38.1174.3-175.70000111.8A779 A780 R787A779-S783 WeakPolarHBondContact O-CB 3.31Å; A779-S783 PolarHBondContact O-N 3.28Å; A780-S783 PolarHBondContact O-N 2.95Å; S783-R787 PolarHBondContact O-N 2.84Å
784A92.4Very high90.7Very high5 Ų547.7 Ų47.74%0.04128%0.277CS..Hα-helixtrans-62.3-47.2174.300000111A780 V781 E782 A786 R787 I788 M818 A870 V874A780-A784 VanDerWaalsContact O-CB 3.25Å; A780-A784 WeakPolarHBondContact O-CB 3.48Å; A780-A784 PolarHBondContact O-N 3.14Å; V781-A784 WeakPolarHBondContact O-CB 3.5Å; V781-A784 PolarHBondContact O-N 2.88Å; E782-A784 VanDerWaalsContact C-N 3.31Å; E782-A784 PolarHBondContact O-N 3.47Å; A784-A786 PolarHBondContact O-N 3.33Å; A784-R787 PolarHBondContact O-N 3.17Å; A784-I788 WeakPolarHBondContact O-CG1 3.39Å; A784-I788 PolarHBondContact O-N 3.39Å; A784-M818 HydrophobicContact CB-CG 4.47Å; A784-M818 HydrophobicContact CB-SD 3.72Å; A784-A870 HydrophobicContact CB-CB 4.33Å; A784-V874 HydrophobicContact CB-CB 4.48Å; A784-V874 HydrophobicContact CB-CG2 3.58Å
785A91.6Very high90.5Very high22 Ų2247.7 Ų47.718%0.18228%0.277CS..Hα-helixtrans-59.4-45.6175.600000112.5V781 E782 R787 I788 E789 M818V781-A785 PolarHBondContact O-N 3.49Å; E782-A785 PolarHBondContact O-N 3.32Å; A785-R787 PolarHBondContact O-N 3.32Å; A785-I788 PolarHBondContact O-N 3Å; A785-I788 VanDerWaalsContact O-N 3.14Å; A785-E789 PolarHBondContact O-N 3.43Å; A785-E789 VanDerWaalsContact O-N 3.08Å; A785-M818 HydrophobicContact CB-CB 4.05Å
786A91.7Very high90.2Very high56 Ų5651.7 Ų51.746%0.46328%0.281SS..Hα-helixtrans-62.8-39.4178.100000112.7E782 A784 I788 E789 E790E782-A786 PolarHBondContact O-N 3.04Å; A784-A786 PolarHBondContact O-N 3.33Å; A786-I788 VanDerWaalsContact C-N 3.34Å; A786-I788 PolarHBondContact O-N 3.18Å; A786-E789 PolarHBondContact O-N 3.3Å; A786-E790 PolarHBondContact O-N 3.07Å
787R93.8Very high89.7Confident83 Ų8353.5 Ų53.531%0.31330%0.296SS..Hα-helixtrans-63-39.1173.3-87.5-176.371.8-170.1-3111.9S783 A784 A785 E790 M791 V874 D875 D878S783-R787 PolarHBondContact O-N 2.84Å; A784-R787 PolarHBondContact O-N 3.17Å; A785-R787 PolarHBondContact O-N 3.32Å; R787-E790 PolarHBondContact O-N 3.19Å; R787-M791 VanDerWaalsContact O-CG 3.29Å; R787-M791 WeakPolarHBondContact O-CG 3.36Å; R787-M791 PolarHBondContact O-N 3.27Å; R787-V874 HydrophobicContact CB-CG1 3.79Å; R787-D875 IonicContact CZ-OD1 2.7Å; R787-D875 IonicContact NH1-OD1 2.64Å; R787-D875 PolarHBondContact NH1-OD1 2.87Å; R787-D875 IonicContact NH2-OD1 3.81Å; R787-D875 PolarHBondContact NH2-OD1 2.97Å; R787-D878 IonicContact NH2-OD2 2.78Å
788I92.1Very high89Confident0 Ų058.9 Ų58.90%033%0.329CS..Hα-helixtrans-62.8-42.5176.2-63162.4000111.3A784 A785 A786 E790 M791 L792 L811 C814 T815 M818 M873 V874A784-I788 WeakPolarHBondContact O-CG1 3.39Å; A784-I788 PolarHBondContact O-N 3.39Å; A785-I788 PolarHBondContact O-N 3Å; A785-I788 VanDerWaalsContact O-N 3.14Å; A786-I788 VanDerWaalsContact C-N 3.34Å; A786-I788 PolarHBondContact O-N 3.18Å; I788-E790 PolarHBondContact O-N 2.87Å; I788-M791 HydrophobicContact CB-CE 4.17Å; I788-M791 HydrophobicContact CG1-CE 3.81Å; I788-M791 PolarHBondContact O-N 3.16Å; I788-L792 WeakPolarHBondContact O-CB 3.4Å; I788-L792 PolarHBondContact O-N 3.07Å; I788-L811 HydrophobicContact CG2-CB 4.14Å; I788-L811 HydrophobicContact CG2-CD2 3.98Å; I788-L811 VanDerWaalsContact CG2-O 3.28Å; I788-L811 WeakPolarHBondContact CG2-O 3.3Å; I788-C814 HydrophobicContact CD1-CB 3.89Å; I788-C814 HydrophobicContact CG2-CB 4.37Å; I788-T815 WeakPolarHBondContact CG2-OG1 3.35Å; I788-M818 HydrophobicContact CD1-CB 4.5Å; I788-M818 HydrophobicContact CD1-CG 3.56Å; I788-M873 HydrophobicContact CD1-CE 4.25Å; I788-V874 HydrophobicContact CD1-CG2 3.69Å; I788-V874 HydrophobicContact CG1-CG1 4.36Å; I788-V874 HydrophobicContact CG1-CG2 3.7Å
789E88.2Confident88.5Confident112 Ų11258.9 Ų58.952%0.52333%0.327SS..Hα-helixtrans-63.1-40.4175.3-70.2-173.7169.100112.4A785 A786 L792 N793A785-E789 PolarHBondContact O-N 3.43Å; A785-E789 VanDerWaalsContact O-N 3.08Å; A786-E789 PolarHBondContact O-N 3.3Å; E789-L792 PolarHBondContact O-N 2.85Å; E789-N793 PolarHBondContact O-N 2.9Å; E789-N793 VanDerWaalsContact O-N 3.07Å; E789-N793 PolarHBondContact O-ND2 2.86Å; E789-N793 VanDerWaalsContact O-ND2 3.16Å
790E90.4Very high87.7Confident101 Ų10162 Ų6247%0.47234%0.341SS..Hα-helixtrans-62.1-43.8174.6-168.3-172169.500111.4A786 R787 I788 L792 N793 K794A786-E790 PolarHBondContact O-N 3.07Å; R787-E790 PolarHBondContact O-N 3.19Å; I788-E790 PolarHBondContact O-N 2.87Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.37Å; E790-N793 PolarHBondContact O-N 2.88Å; E790-K794 HydrophobicContact CG-CD 4.46Å; E790-K794 WeakPolarHBondContact O-CG 3.37Å; E790-K794 PolarHBondContact O-N 3.37Å; E790-K794 WeakPolarHBondContact OE1-CE 3.43Å; E790-K794 IonicContact OE1-NZ 2.99Å; E790-K794 PolarHBondContact OE1-NZ 3.15Å
791M91.4Very high87.2Confident12 Ų1263 Ų636%0.05935%0.353CS..Hα-helixtrans-62.2-40.5175.5-70.9-174.6-65.600112.1R787 I788 N793 K794 S795 L811 V874 A877 D878R787-M791 VanDerWaalsContact O-CG 3.29Å; R787-M791 WeakPolarHBondContact O-CG 3.36Å; R787-M791 PolarHBondContact O-N 3.27Å; I788-M791 HydrophobicContact CB-CE 4.17Å; I788-M791 HydrophobicContact CG1-CE 3.81Å; I788-M791 PolarHBondContact O-N 3.16Å; M791-N793 VanDerWaalsContact C-N 3.34Å; M791-N793 PolarHBondContact O-N 3.29Å; M791-K794 PolarHBondContact O-N 3.18Å; M791-S795 VanDerWaalsContact O-CB 3.28Å; M791-S795 WeakPolarHBondContact O-CB 3.4Å; M791-S795 PolarHBondContact O-N 3.27Å; M791-L811 HydrophobicContact CB-CD1 3.99Å; M791-L811 HydrophobicContact CB-CD2 4.05Å; M791-L811 HydrophobicContact CE-CD2 3.87Å; M791-L811 HydrophobicContact SD-CD2 4.44Å; M791-V874 HydrophobicContact CE-CG1 3.83Å; M791-A877 HydrophobicContact CE-CB 4.43Å; M791-D878 HydrophobicContact CE-CB 4.44Å; M791-D878 WeakPolarHBondContact SD-CA 3.32Å; M791-D878 HydrophobicContact SD-CB 3.3Å; M791-D878 WeakPolarHBondContact SD-CB 3.41Å; M791-D878 VanDerWaalsContact SD-CG 3.52Å
792L86.9Confident86.6Confident28 Ų2867.4 Ų67.415%0.14738%0.376CS..Hα-helixtrans-61.5-44.5178-172.576.2000110.9I788 E789 E790 S795 R796 E808 L811I788-L792 WeakPolarHBondContact O-CB 3.4Å; I788-L792 PolarHBondContact O-N 3.07Å; E789-L792 PolarHBondContact O-N 2.85Å; E790-L792 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.37Å; L792-S795 PolarHBondContact O-N 3.31Å; L792-R796 WeakPolarHBondContact O-CG 3.2Å; L792-R796 PolarHBondContact O-N 3.32Å; L792-R796 VanDerWaalsContact O-N 3.13Å; L792-E808 HydrophobicContact CD1-CB 4.24Å; L792-E808 HydrophobicContact CD1-CG 4.12Å; L792-L811 HydrophobicContact CB-CD1 4.21Å; L792-L811 HydrophobicContact CD1-CB 3.8Å; L792-L811 HydrophobicContact CD1-CD1 4.18Å
793N86.4Confident86.1Confident98 Ų9867.1 Ų67.152%0.52437%0.374SS..Hα-helixtrans-67.5-37.8177.7-70.5-36.3000112.6E789 E790 M791 A797E789-N793 PolarHBondContact O-N 2.9Å; E789-N793 VanDerWaalsContact O-N 3.07Å; E789-N793 PolarHBondContact O-ND2 2.86Å; E789-N793 VanDerWaalsContact O-ND2 3.16Å; E790-N793 PolarHBondContact O-N 2.88Å; M791-N793 VanDerWaalsContact C-N 3.34Å; M791-N793 PolarHBondContact O-N 3.29Å; N793-A797 PolarHBondContact O-N 3.26Å
794K86.1Confident85.8Confident117 Ų11766.3 Ų66.351%0.50936%0.363SS..Hα-helixtrans-67.5-44.2174.5-74.8176.5-175.8166.90112.2E790 M791 R796 A797 V798E790-K794 HydrophobicContact CG-CD 4.46Å; E790-K794 WeakPolarHBondContact O-CG 3.37Å; E790-K794 PolarHBondContact O-N 3.37Å; E790-K794 WeakPolarHBondContact OE1-CE 3.43Å; E790-K794 IonicContact OE1-NZ 2.99Å; E790-K794 PolarHBondContact OE1-NZ 3.15Å; M791-K794 PolarHBondContact O-N 3.18Å; K794-R796 VanDerWaalsContact C-N 3.32Å; K794-R796 PolarHBondContact O-N 2.86Å; K794-A797 PolarHBondContact O-N 2.91Å; K794-V798 WeakPolarHBondContact O-CG2 3.32Å; K794-V798 PolarHBondContact O-N 2.86Å; K794-V798 VanDerWaalsContact O-N 3.12Å
795S83.6Confident85.5Confident3 Ų371.1 Ų71.12%0.02138%0.384CS..Hα-helixtrans-56.6-45.4177.2176.70000111.2M791 L792 A797 V798 D799 N807M791-S795 VanDerWaalsContact O-CB 3.28Å; M791-S795 WeakPolarHBondContact O-CB 3.4Å; M791-S795 PolarHBondContact O-N 3.27Å; L792-S795 PolarHBondContact O-N 3.31Å; S795-A797 PolarHBondContact O-N 3.43Å; S795-V798 PolarHBondContact O-N 3.01Å; S795-D799 WeakPolarHBondContact O-CB 3.32Å; S795-D799 PolarHBondContact O-N 3.13Å; S795-D799 PolarHBondContact OG-OD2 2.68Å; S795-N807 WeakPolarHBondContact OG-CB 3.22Å
796R82.4Confident85.3Confident133 Ų13370.1 Ų70.150%0.50238%0.376SS..Hα-helixtrans-58.8-28.8174.7-77.1173.5172.2168.72.3115.1L792 K794 E808L792-R796 WeakPolarHBondContact O-CG 3.2Å; L792-R796 PolarHBondContact O-N 3.32Å; L792-R796 VanDerWaalsContact O-N 3.13Å; K794-R796 VanDerWaalsContact C-N 3.32Å; K794-R796 PolarHBondContact O-N 2.86Å; R796-E808 HydrophobicContact CG-CG 4.46Å; R796-E808 WeakPolarHBondContact CG-OE1 3.35Å; R796-E808 IonicContact CZ-OE1 2.79Å; R796-E808 IonicContact NE-OE1 3.21Å; R796-E808 PolarHBondContact NE-OE1 3.07Å; R796-E808 IonicContact NH2-OE1 2.61Å; R796-E808 PolarHBondContact NH2-OE1 2.93Å
797A80.1Confident85.2Confident86 Ų8667.6 Ų67.671%0.71135%0.354SS*.Hα-helixtrans-90.1-23.6-177.600000113.2N793 K794 S795N793-A797 PolarHBondContact O-N 3.26Å; K794-A797 PolarHBondContact O-N 2.91Å; S795-A797 PolarHBondContact O-N 3.43Å
798V78.4Confident85Confident116 Ų11666.1 Ų66.170%0.70335%0.351SS*.Hα-helixtrans-113.7-38.9-168.7179.10000112.6K794 S795K794-V798 WeakPolarHBondContact O-CG2 3.32Å; K794-V798 PolarHBondContact O-N 2.86Å; K794-V798 VanDerWaalsContact O-N 3.12Å; S795-V798 PolarHBondContact O-N 3.01Å
799D80.7Confident85Confident19 Ų1970.2 Ų70.210%0.10237%0.367CS..  trans-89.9149.7-178-67.1-47.5000111.3S795 K803 M804 N807S795-D799 WeakPolarHBondContact O-CB 3.32Å; S795-D799 PolarHBondContact O-N 3.13Å; S795-D799 PolarHBondContact OG-OD2 2.68Å; D799-K803 WeakPolarHBondContact OD1-CE 3.32Å; D799-K803 IonicContact OD1-NZ 3.64Å; D799-K803 PolarHBondContact OD1-NZ 2.8Å; D799-M804 HydrophobicContact CB-CB 4.01Å; D799-M804 HydrophobicContact CB-CG 4.5Å; D799-N807 PolarHBondContact OD2-ND2 3.25Å
800T76.1Confident85.2Confident120 Ų12064.9 Ų64.974%0.73634%0.342SS*.  trans-135.4155.7177.8560000111.4
801G81.3Confident85.3Confident46 Ų4660.1 Ų60.147%0.47432%0.319SS..THydrogen-bonded Turntrans67-146.1177.600000113.8K803 M804 E805G801-K803 PolarHBondContact O-N 2.93Å; G801-M804 WeakPolarHBondContact O-CB 3.42Å; G801-M804 PolarHBondContact O-N 3.4Å; G801-M804 VanDerWaalsContact O-N 3.1Å; G801-E805 PolarHBondContact O-N 3.21Å
802I80.1Confident85.4Confident94 Ų9461.6 Ų61.648%0.48233%0.333SS..Hα-helixtrans-58.4-35.7-174.3-62.1171.2000112M804 E805 V806 Q946I802-M804 VanDerWaalsContact C-N 3.33Å; I802-M804 PolarHBondContact O-N 3.2Å; I802-E805 PolarHBondContact O-N 3.43Å; I802-V806 HydrophobicContact CG2-CG2 4.3Å; I802-V806 WeakPolarHBondContact O-CG2 3.49Å; I802-V806 PolarHBondContact O-N 3.11Å; I802-Q946 HydrophobicContact CG2-CB 4.3Å
803K82.4Confident85.8Confident87 Ų8760.5 Ų60.538%0.37833%0.328SS..Hα-helixtrans-62.3-39.1178.6-171.4-176.3176.6-142.10112.3D799 G801 N807D799-K803 WeakPolarHBondContact OD1-CE 3.32Å; D799-K803 IonicContact OD1-NZ 3.64Å; D799-K803 PolarHBondContact OD1-NZ 2.8Å; G801-K803 PolarHBondContact O-N 2.93Å; K803-N807 WeakPolarHBondContact O-CB 3.45Å; K803-N807 VanDerWaalsContact O-CG 3.28Å; K803-N807 PolarHBondContact O-N 2.81Å
804M85.6Confident86.2Confident55 Ų5555.8 Ų55.827%0.27130%0.303SS..Hα-helixtrans-65.5-46.5176.7-174.8-17371.700110.9D799 G801 I802 V806 N807 E808D799-M804 HydrophobicContact CB-CB 4.01Å; D799-M804 HydrophobicContact CB-CG 4.5Å; G801-M804 WeakPolarHBondContact O-CB 3.42Å; G801-M804 PolarHBondContact O-N 3.4Å; G801-M804 VanDerWaalsContact O-N 3.1Å; I802-M804 VanDerWaalsContact C-N 3.33Å; I802-M804 PolarHBondContact O-N 3.2Å; M804-V806 VanDerWaalsContact C-N 3.31Å; M804-V806 PolarHBondContact O-N 3.43Å; M804-N807 PolarHBondContact O-N 2.93Å; M804-E808 WeakPolarHBondContact O-CB 3.42Å; M804-E808 WeakPolarHBondContact O-CG 3.4Å; M804-E808 PolarHBondContact O-N 3.42Å
805E85Confident86.5Confident106 Ų10652 Ų5250%0.49529%0.29SS..Hα-helixtrans-62-38.2179.2-65.7-178-178.400112.6G801 I802 R809G801-E805 PolarHBondContact O-N 3.21Å; I802-E805 PolarHBondContact O-N 3.43Å; E805-R809 WeakPolarHBondContact O-CB 3.34Å; E805-R809 PolarHBondContact O-N 3.18Å
806V88.4Confident87Confident1 Ų157.3 Ų57.31%0.00631%0.314CS..Hα-helixtrans-67.2-48.4175.6170.20000110.9I802 M804 E808 R809 I810 Q946 I947I802-V806 HydrophobicContact CG2-CG2 4.3Å; I802-V806 WeakPolarHBondContact O-CG2 3.49Å; I802-V806 PolarHBondContact O-N 3.11Å; M804-V806 VanDerWaalsContact C-N 3.31Å; M804-V806 PolarHBondContact O-N 3.43Å; V806-E808 PolarHBondContact O-N 3.34Å; V806-R809 PolarHBondContact O-N 3.23Å; V806-I810 HydrophobicContact CG1-CD1 3.8Å; V806-I810 WeakPolarHBondContact O-CG1 3.45Å; V806-I810 PolarHBondContact O-N 3.46Å; V806-Q946 HydrophobicContact CG2-CB 4.04Å; V806-I947 HydrophobicContact CB-CD1 4.18Å; V806-I947 HydrophobicContact CG1-CD1 3.72Å; V806-I947 HydrophobicContact CG1-CG1 4.46Å; V806-I947 HydrophobicContact CG2-CD1 4.48Å; V806-I947 HydrophobicContact CG2-CG1 4.41Å
807N89.8Confident87.6Confident2 Ų251 Ų511%0.01129%0.29CS..Hα-helixtrans-62.9-40.8179.9-76.1-8000111.8S795 D799 K803 M804 L811 V881S795-N807 WeakPolarHBondContact OG-CB 3.22Å; D799-N807 PolarHBondContact OD2-ND2 3.25Å; K803-N807 WeakPolarHBondContact O-CB 3.45Å; K803-N807 VanDerWaalsContact O-CG 3.28Å; K803-N807 PolarHBondContact O-N 2.81Å; M804-N807 PolarHBondContact O-N 2.93Å; N807-L811 WeakPolarHBondContact O-CB 3.4Å; N807-L811 VanDerWaalsContact O-CG 3.27Å; N807-L811 WeakPolarHBondContact O-CG 3.24Å; N807-L811 PolarHBondContact O-N 2.99Å; N807-V881 HydrophobicContact CB-CG2 4.37Å; N807-V881 PolarHBondContact ND2-O 3.23Å
808E89.8Confident88.3Confident52 Ų5247 Ų4724%0.24326%0.257CS..Hα-helixtrans-62.4-44.1175.8-76.6-168.3141.700112.6L792 R796 M804 V806 L811 A812L792-E808 HydrophobicContact CD1-CB 4.24Å; L792-E808 HydrophobicContact CD1-CG 4.12Å; R796-E808 HydrophobicContact CG-CG 4.46Å; R796-E808 WeakPolarHBondContact CG-OE1 3.35Å; R796-E808 IonicContact CZ-OE1 2.79Å; R796-E808 IonicContact NE-OE1 3.21Å; R796-E808 PolarHBondContact NE-OE1 3.07Å; R796-E808 IonicContact NH2-OE1 2.61Å; R796-E808 PolarHBondContact NH2-OE1 2.93Å; M804-E808 WeakPolarHBondContact O-CB 3.42Å; M804-E808 WeakPolarHBondContact O-CG 3.4Å; M804-E808 PolarHBondContact O-N 3.42Å; V806-E808 PolarHBondContact O-N 3.34Å; E808-L811 PolarHBondContact O-N 3.01Å; E808-A812 VanDerWaalsContact O-CB 3.23Å; E808-A812 WeakPolarHBondContact O-CB 3.27Å; E808-A812 PolarHBondContact O-N 3.47Å
809R91.6Very high89Confident87 Ų8745.8 Ų45.833%0.32824%0.243SC..Hα-helixtrans-64.6-43.8-179.7-168.4-174.2-57.1126.26.5111.7E805 V806 S813E805-R809 WeakPolarHBondContact O-CB 3.34Å; E805-R809 PolarHBondContact O-N 3.18Å; V806-R809 PolarHBondContact O-N 3.23Å; R809-S813 PolarHBondContact O-N 3.48Å; R809-S813 VanDerWaalsContact O-N 3.08Å; R809-S813 PolarHBondContact O-OG 2.97Å
810I92.7Very high89.7Confident0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-62.7-51.9177.5-69.1172.2000109.9V806 A812 S813 C814 V880 F887 L890V806-I810 HydrophobicContact CG1-CD1 3.8Å; V806-I810 WeakPolarHBondContact O-CG1 3.45Å; V806-I810 PolarHBondContact O-N 3.46Å; I810-A812 VanDerWaalsContact C-N 3.34Å; I810-A812 PolarHBondContact O-N 2.87Å; I810-S813 PolarHBondContact O-N 3.05Å; I810-S813 PolarHBondContact O-OG 3.2Å; I810-C814 PolarHBondContact O-N 3.32Å; I810-C814 PolarHBondContact O-SG 3.21Å; I810-C814 VanDerWaalsContact O-SG 3.36Å; I810-V880 HydrophobicContact CD1-CG1 4.46Å; I810-F887 HydrophobicContact CD1-CD1 4.17Å; I810-F887 HydrophobicContact CD1-CE1 3.73Å; I810-L890 HydrophobicContact CG2-CD2 3.52Å
811L93.5Very high90.6Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-64.1-36.3-179.1-69.6172.5000112.8I788 M791 L792 N807 E808 C814 T815 A877 V881I788-L811 HydrophobicContact CG2-CB 4.14Å; I788-L811 HydrophobicContact CG2-CD2 3.98Å; I788-L811 VanDerWaalsContact CG2-O 3.28Å; I788-L811 WeakPolarHBondContact CG2-O 3.3Å; M791-L811 HydrophobicContact CB-CD1 3.99Å; M791-L811 HydrophobicContact CB-CD2 4.05Å; M791-L811 HydrophobicContact CE-CD2 3.87Å; M791-L811 HydrophobicContact SD-CD2 4.44Å; L792-L811 HydrophobicContact CB-CD1 4.21Å; L792-L811 HydrophobicContact CD1-CB 3.8Å; L792-L811 HydrophobicContact CD1-CD1 4.18Å; N807-L811 WeakPolarHBondContact O-CB 3.4Å; N807-L811 VanDerWaalsContact O-CG 3.27Å; N807-L811 WeakPolarHBondContact O-CG 3.24Å; N807-L811 PolarHBondContact O-N 2.99Å; E808-L811 PolarHBondContact O-N 3.01Å; L811-C814 PolarHBondContact O-N 3.18Å; L811-T815 PolarHBondContact O-N 3.01Å; L811-T815 PolarHBondContact O-OG1 3.16Å; L811-A877 HydrophobicContact CD2-CB 4.48Å; L811-V881 HydrophobicContact CD1-CG1 4.49Å; L811-V881 HydrophobicContact CD1-CG2 3.83Å; L811-V881 HydrophobicContact CD2-CG2 3.91Å; L811-V881 HydrophobicContact CG-CG2 3.83Å
812A92.3Very high91.2Very high43 Ų4340.3 Ų40.336%0.35520%0.198SC..Hα-helixtrans-61.1-46.917300000111.5E808 I810 C814 T815 E816E808-A812 VanDerWaalsContact O-CB 3.23Å; E808-A812 WeakPolarHBondContact O-CB 3.27Å; E808-A812 PolarHBondContact O-N 3.47Å; I810-A812 VanDerWaalsContact C-N 3.34Å; I810-A812 PolarHBondContact O-N 2.87Å; A812-C814 VanDerWaalsContact C-N 3.35Å; A812-C814 PolarHBondContact O-N 2.99Å; A812-T815 WeakPolarHBondContact O-CB 3.46Å; A812-T815 PolarHBondContact O-N 2.87Å; A812-T815 VanDerWaalsContact O-N 3.14Å; A812-E816 PolarHBondContact O-N 3.38Å
813S94.8Very high91.9Very high5 Ų540.7 Ų40.74%0.03520%0.198CC..Hα-helixtrans-64-37176.867.60000113R809 I810 T815 E816 L817 V936R809-S813 PolarHBondContact O-N 3.48Å; R809-S813 VanDerWaalsContact O-N 3.08Å; R809-S813 PolarHBondContact O-OG 2.97Å; I810-S813 PolarHBondContact O-N 3.05Å; I810-S813 PolarHBondContact O-OG 3.2Å; S813-T815 VanDerWaalsContact C-N 3.31Å; S813-T815 PolarHBondContact O-N 3.45Å; S813-E816 PolarHBondContact O-N 3.18Å; S813-L817 PolarHBondContact O-N 3.42Å; S813-V936 VanDerWaalsContact C-CG2 3.42Å; S813-V936 VanDerWaalsContact O-CG2 3.27Å; S813-V936 WeakPolarHBondContact O-CG2 3.39Å; S813-V936 WeakPolarHBondContact OG-CA 3.46Å
814C94.8Very high92.5Very high0 Ų036.6 Ų36.60%018%0.18CC..Hα-helixtrans-65.8-34.4174.1-68.20000112I788 I810 L811 A812 L817 M818 M873I788-C814 HydrophobicContact CD1-CB 3.89Å; I788-C814 HydrophobicContact CG2-CB 4.37Å; I810-C814 PolarHBondContact O-N 3.32Å; I810-C814 PolarHBondContact O-SG 3.21Å; I810-C814 VanDerWaalsContact O-SG 3.36Å; L811-C814 PolarHBondContact O-N 3.18Å; A812-C814 VanDerWaalsContact C-N 3.35Å; A812-C814 PolarHBondContact O-N 2.99Å; C814-L817 PolarHBondContact O-N 3.27Å; C814-M818 WeakPolarHBondContact O-CG 3.46Å; C814-M818 PolarHBondContact O-N 3.46Å; C814-M873 HydrophobicContact CB-CE 3.86Å
815T93.4Very high92.9Very high37 Ų3734 Ų3423%0.22717%0.167CC..Hα-helixtrans-65.9-46.2175.6-53.10000110.9I788 L811 A812 S813 L817 M818 Q819I788-T815 WeakPolarHBondContact CG2-OG1 3.35Å; L811-T815 PolarHBondContact O-N 3.01Å; L811-T815 PolarHBondContact O-OG1 3.16Å; A812-T815 WeakPolarHBondContact O-CB 3.46Å; A812-T815 PolarHBondContact O-N 2.87Å; A812-T815 VanDerWaalsContact O-N 3.14Å; S813-T815 VanDerWaalsContact C-N 3.31Å; S813-T815 PolarHBondContact O-N 3.45Å; T815-L817 VanDerWaalsContact C-N 3.29Å; T815-L817 PolarHBondContact O-N 2.99Å; T815-M818 PolarHBondContact O-N 3.16Å; T815-Q819 PolarHBondContact O-N 3.47Å
816E93.7Very high93.2Very high115 Ų11532.9 Ų32.954%0.53716%0.164SC..Hα-helixtrans-59.8-40175.7-71.2178.8178.300111.9A812 S813 Q819 A820A812-E816 PolarHBondContact O-N 3.38Å; S813-E816 PolarHBondContact O-N 3.18Å; E816-Q819 PolarHBondContact O-N 2.93Å; E816-A820 PolarHBondContact O-N 3.32Å
817L95.1Very high93.4Very high0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-63.8-46.1175.1177.855.6000112.2S813 C814 T815 Q819 A820 I821 M873 I897 V929 A932 T933 V936S813-L817 PolarHBondContact O-N 3.42Å; C814-L817 PolarHBondContact O-N 3.27Å; T815-L817 VanDerWaalsContact C-N 3.29Å; T815-L817 PolarHBondContact O-N 2.99Å; L817-Q819 VanDerWaalsContact C-N 3.29Å; L817-Q819 PolarHBondContact O-N 2.95Å; L817-A820 PolarHBondContact O-N 2.92Å; L817-I821 HydrophobicContact CD1-CD1 3.8Å; L817-I821 HydrophobicContact CD1-CG1 4.11Å; L817-I821 HydrophobicContact CG-CD1 3.89Å; L817-I821 VanDerWaalsContact O-CG1 3.24Å; L817-I821 WeakPolarHBondContact O-CG1 3.46Å; L817-I821 PolarHBondContact O-N 3.43Å; L817-M873 HydrophobicContact CD2-CE 4.37Å; L817-M873 HydrophobicContact CD2-SD 3.45Å; L817-M873 WeakPolarHBondContact CD2-SD 3.32Å; L817-M873 HydrophobicContact CG-SD 4.23Å; L817-I897 HydrophobicContact CD2-CG2 4.35Å; L817-V929 HydrophobicContact CD1-CG1 3.91Å; L817-A932 HydrophobicContact CB-CB 3.94Å; L817-A932 HydrophobicContact CD1-CB 3.9Å; L817-T933 WeakPolarHBondContact CD1-OG1 3.24Å; L817-V936 HydrophobicContact CB-CG2 4.08Å; L817-V936 HydrophobicContact CD2-CG2 3.94Å
818M94.7Very high93.6Very high1 Ų133.1 Ų33.11%0.00517%0.166CC..Hα-helixtrans-61.1-38.3176-74.1-62.2115.300112.4V781 A784 A785 I788 C814 T815 I821 K822 A870 M873 I897V781-M818 WeakPolarHBondContact CG1-O 3.23Å; V781-M818 HydrophobicContact CG1-SD 4.14Å; A784-M818 HydrophobicContact CB-CG 4.47Å; A784-M818 HydrophobicContact CB-SD 3.72Å; A785-M818 HydrophobicContact CB-CB 4.05Å; I788-M818 HydrophobicContact CD1-CB 4.5Å; I788-M818 HydrophobicContact CD1-CG 3.56Å; C814-M818 WeakPolarHBondContact O-CG 3.46Å; C814-M818 PolarHBondContact O-N 3.46Å; T815-M818 PolarHBondContact O-N 3.16Å; M818-I821 HydrophobicContact CE-CD1 3.76Å; M818-I821 PolarHBondContact O-N 3.32Å; M818-K822 WeakPolarHBondContact O-CB 3.38Å; M818-K822 PolarHBondContact O-N 2.98Å; M818-A870 HydrophobicContact CE-CB 4.04Å; M818-A870 HydrophobicContact SD-CB 3.95Å; M818-M873 HydrophobicContact CE-CE 3.26Å; M818-M873 HydrophobicContact CE-SD 3.58Å; M818-M873 VanDerWaalsContact CE-SD 3.58Å; M818-M873 HydrophobicContact CG-CE 4.18Å; M818-M873 HydrophobicContact SD-CE 4.4Å; M818-I897 HydrophobicContact CE-CD1 3.53Å
819Q93.4Very high93.6Very high91 Ų9133.9 Ų33.943%0.42517%0.169SC..Hα-helixtrans-65.5-43.4176.3-176.259.524.600112T815 E816 L817 I821 K822 E823T815-Q819 PolarHBondContact O-N 3.47Å; E816-Q819 PolarHBondContact O-N 2.93Å; L817-Q819 VanDerWaalsContact C-N 3.29Å; L817-Q819 PolarHBondContact O-N 2.95Å; Q819-I821 VanDerWaalsContact C-N 3.32Å; Q819-I821 PolarHBondContact O-N 3.37Å; Q819-K822 WeakPolarHBondContact O-CB 3.38Å; Q819-K822 PolarHBondContact O-N 3.12Å; Q819-E823 PolarHBondContact NE2-OE1 3.02Å; Q819-E823 PolarHBondContact O-N 3.48Å
820A95.6Very high93.6Very high13 Ų1331.8 Ų31.811%0.10716%0.164CC..Hα-helixtrans-63-38.2175.700000112.3E816 L817 E823 L824 V929 A932E816-A820 PolarHBondContact O-N 3.32Å; L817-A820 PolarHBondContact O-N 2.92Å; A820-E823 PolarHBondContact O-N 2.86Å; A820-L824 PolarHBondContact O-N 3.26Å; A820-V929 HydrophobicContact CB-CG2 3.9Å; A820-A932 HydrophobicContact CB-CB 4.38Å
821I95.1Very high93.5Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-68-40177.1-67.1168.2000110.9V781 L817 M818 Q819 E823 L824 I825 V866 I897 T901 V929V781-I821 HydrophobicContact CG1-CB 4.43Å; V781-I821 HydrophobicContact CG1-CG2 4.2Å; V781-I821 HydrophobicContact CG2-CG2 3.85Å; L817-I821 HydrophobicContact CD1-CD1 3.8Å; L817-I821 HydrophobicContact CD1-CG1 4.11Å; L817-I821 HydrophobicContact CG-CD1 3.89Å; L817-I821 VanDerWaalsContact O-CG1 3.24Å; L817-I821 WeakPolarHBondContact O-CG1 3.46Å; L817-I821 PolarHBondContact O-N 3.43Å; M818-I821 HydrophobicContact CE-CD1 3.76Å; M818-I821 PolarHBondContact O-N 3.32Å; Q819-I821 VanDerWaalsContact C-N 3.32Å; Q819-I821 PolarHBondContact O-N 3.37Å; I821-E823 PolarHBondContact O-N 3.43Å; I821-L824 WeakPolarHBondContact O-CB 3.29Å; I821-L824 PolarHBondContact O-N 3.47Å; I821-I825 HydrophobicContact CG2-CD1 3.85Å; I821-I825 HydrophobicContact CG2-CG1 4.48Å; I821-I825 WeakPolarHBondContact O-CG1 3.42Å; I821-I825 PolarHBondContact O-N 3.29Å; I821-V866 HydrophobicContact CG2-CG1 3.82Å; I821-I897 HydrophobicContact CD1-CD1 3.34Å; I821-I897 HydrophobicContact CD1-CG1 3.79Å; I821-I897 HydrophobicContact CD1-CG2 4.5Å; I821-T901 HydrophobicContact CG1-CG2 4.13Å; I821-T901 HydrophobicContact CG2-CG2 4.26Å; I821-V929 HydrophobicContact CB-CG2 4.48Å; I821-V929 HydrophobicContact CG1-CG1 3.93Å; I821-V929 HydrophobicContact CG1-CG2 3.78Å
822K93.5Very high93.2Very high57 Ų5732 Ų3225%0.24817%0.165CC..Hα-helixtrans-59.1-46.5174.2177.1173.1171.4166.50111.6V781 E782 M818 Q819 L824 I825 L826V781-K822 HydrophobicContact CG1-CB 4.04Å; E782-K822 HydrophobicContact CG-CD 4.13Å; E782-K822 WeakPolarHBondContact OE1-CE 3.2Å; E782-K822 IonicContact OE1-NZ 3.48Å; E782-K822 PolarHBondContact OE1-NZ 3.17Å; M818-K822 WeakPolarHBondContact O-CB 3.38Å; M818-K822 PolarHBondContact O-N 2.98Å; Q819-K822 WeakPolarHBondContact O-CB 3.38Å; Q819-K822 PolarHBondContact O-N 3.12Å; K822-L824 VanDerWaalsContact C-N 3.27Å; K822-L824 PolarHBondContact O-N 2.94Å; K822-I825 PolarHBondContact O-N 3.44Å; K822-L826 HydrophobicContact CG-CD1 4.25Å; K822-L826 WeakPolarHBondContact O-CG 3.45Å; K822-L826 PolarHBondContact O-N 2.65Å
823E94.1Very high93Very high103 Ų10334.4 Ų34.448%0.48117%0.165SC..Hα-helixtrans-61.6-35.8176.1-72.7176.2-166.100112.5Q819 A820 I821 S827Q819-E823 PolarHBondContact NE2-OE1 3.02Å; Q819-E823 PolarHBondContact O-N 3.48Å; A820-E823 PolarHBondContact O-N 2.86Å; I821-E823 PolarHBondContact O-N 3.43Å; E823-S827 WeakPolarHBondContact O-CB 3.34Å; E823-S827 PolarHBondContact O-N 2.91Å; E823-S827 PolarHBondContact O-OG 2.9Å
824L95.6Very high92.6Very high0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-65.7-45.9175.3-176.4148.2000112.3A820 I821 K822 S827 S828 T901 L904 V905 L922 A925 V929A820-L824 PolarHBondContact O-N 3.26Å; I821-L824 WeakPolarHBondContact O-CB 3.29Å; I821-L824 PolarHBondContact O-N 3.47Å; K822-L824 VanDerWaalsContact C-N 3.27Å; K822-L824 PolarHBondContact O-N 2.94Å; L824-S827 PolarHBondContact O-N 3.04Å; L824-S828 WeakPolarHBondContact O-CB 3.13Å; L824-S828 PolarHBondContact O-N 3.32Å; L824-T901 HydrophobicContact CD1-CG2 4.47Å; L824-T901 HydrophobicContact CD2-CG2 4.41Å; L824-L904 HydrophobicContact CD2-CD2 3.93Å; L824-V905 HydrophobicContact CD1-CG2 3.95Å; L824-V905 HydrophobicContact CD2-CG2 4.45Å; L824-V905 HydrophobicContact CG-CG2 4.37Å; L824-L922 HydrophobicContact CD2-CD1 4.41Å; L824-L922 HydrophobicContact CG-CD1 3.99Å; L824-L922 WeakPolarHBondContact O-CD1 3.22Å; L824-A925 HydrophobicContact CB-CB 3.96Å; L824-A925 HydrophobicContact CG-CB 4.48Å; L824-V929 HydrophobicContact CB-CG2 4.24Å; L824-V929 HydrophobicContact CD1-CG2 3.87Å
825I93.5Very high92.1Very high2 Ų236.8 Ų36.81%0.0118%0.177CC..Hα-helixtrans-63.3-44.8178.9-67.5157.8000110.4T777 V781 I821 K822 S827 S828 K829 V866 L904T777-I825 HydrophobicContact CG2-CD1 3.74Å; T777-I825 HydrophobicContact CG2-CG1 4.25Å; V781-I825 HydrophobicContact CB-CD1 4.28Å; V781-I825 HydrophobicContact CG2-CD1 3.63Å; I821-I825 HydrophobicContact CG2-CD1 3.85Å; I821-I825 HydrophobicContact CG2-CG1 4.48Å; I821-I825 WeakPolarHBondContact O-CG1 3.42Å; I821-I825 PolarHBondContact O-N 3.29Å; K822-I825 PolarHBondContact O-N 3.44Å; I825-S827 VanDerWaalsContact C-N 3.33Å; I825-S827 PolarHBondContact O-N 3.32Å; I825-S828 PolarHBondContact O-N 2.9Å; I825-K829 PolarHBondContact O-N 3.14Å; I825-V866 HydrophobicContact CD1-CG1 4.11Å; I825-V866 HydrophobicContact CG1-CG1 4.42Å; I825-L904 HydrophobicContact CG1-CD2 4.49Å
826L91.8Very high91.5Very high81 Ų8135.1 Ų35.142%0.42417%0.167SC..Hα-helixtrans-61.3-42.9176.3-68.7174.4000111.6K822 S828 K829 D830K822-L826 HydrophobicContact CG-CD1 4.25Å; K822-L826 WeakPolarHBondContact O-CG 3.45Å; K822-L826 PolarHBondContact O-N 2.65Å; L826-S828 VanDerWaalsContact C-N 3.34Å; L826-S828 PolarHBondContact O-N 3.15Å; L826-K829 PolarHBondContact O-N 3.09Å; L826-D830 PolarHBondContact O-N 3.33Å
827S93.5Very high91Very high9 Ų934.5 Ų34.56%0.06316%0.164CC..Hα-helixtrans-66-35.1176.6-58.50000112.6E823 L824 I825 L831E823-S827 WeakPolarHBondContact O-CB 3.34Å; E823-S827 PolarHBondContact O-N 2.91Å; E823-S827 PolarHBondContact O-OG 2.9Å; L824-S827 PolarHBondContact O-N 3.04Å; I825-S827 VanDerWaalsContact C-N 3.33Å; I825-S827 PolarHBondContact O-N 3.32Å; S827-L831 WeakPolarHBondContact O-CB 3.24Å; S827-L831 PolarHBondContact O-N 2.99Å
828S92.8Very high90.1Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-67.5-42.6175.5175.90000111.1M774 L824 I825 L826 L831 Q832 S908M774-S828 WeakPolarHBondContact CE-OG 3.19Å; L824-S828 WeakPolarHBondContact O-CB 3.13Å; L824-S828 PolarHBondContact O-N 3.32Å; I825-S828 PolarHBondContact O-N 2.9Å; L826-S828 VanDerWaalsContact C-N 3.34Å; L826-S828 PolarHBondContact O-N 3.15Å; S828-L831 PolarHBondContact O-N 2.81Å; S828-Q832 VanDerWaalsContact O-CG 3.31Å; S828-Q832 WeakPolarHBondContact O-CG 3.38Å; S828-Q832 PolarHBondContact O-N 3.14Å; S828-Q832 PolarHBondContact OG-NE2 3.01Å; S828-S908 PolarHBondContact OG-OG 3.45Å
829K90.7Very high88.7Confident68 Ų6841 Ų4130%0.29622%0.216SC..Hα-helixtrans-62.5-43.6174.2178.2172.4171.4166.90112.4E771 I825 L826 Q832 R833E771-K829 WeakPolarHBondContact OE1-CE 3.33Å; E771-K829 IonicContact OE1-NZ 2.7Å; E771-K829 PolarHBondContact OE1-NZ 3.32Å; I825-K829 PolarHBondContact O-N 3.14Å; L826-K829 PolarHBondContact O-N 3.09Å; K829-Q832 PolarHBondContact O-N 2.61Å; K829-R833 PolarHBondContact O-N 2.85Å; K829-R833 VanDerWaalsContact O-N 3.13Å
830D90.4Very high87.2Confident43 Ų4342.2 Ų42.223%0.2322%0.217CC..Hα-helixtrans-63.1-42.7176-76.9-21.4000112L826 Q832 R833 D834L826-D830 PolarHBondContact O-N 3.33Å; D830-Q832 VanDerWaalsContact C-N 3.32Å; D830-Q832 PolarHBondContact O-N 2.97Å; D830-R833 WeakPolarHBondContact O-CB 3.29Å; D830-R833 PolarHBondContact O-N 3.02Å; D830-R833 IonicContact OD1-CZ 2.9Å; D830-R833 VanDerWaalsContact OD1-CZ 3.22Å; D830-R833 IonicContact OD1-NH1 2.7Å; D830-R833 PolarHBondContact OD1-NH1 3.25Å; D830-R833 IonicContact OD1-NH2 2.85Å; D830-R833 PolarHBondContact OD1-NH2 2.92Å; D830-D834 PolarHBondContact O-N 3.41Å; D830-D834 VanDerWaalsContact O-N 3.17Å
831L90.9Very high85.8Confident1 Ų145 Ų451%0.00525%0.247CC..Hα-helixtrans-62.8-38.3175.917960.3000112.2S827 S828 R833 D834 I835 A912 N918 L919 L922S827-L831 WeakPolarHBondContact O-CB 3.24Å; S827-L831 PolarHBondContact O-N 2.99Å; S828-L831 PolarHBondContact O-N 2.81Å; L831-R833 VanDerWaalsContact C-N 3.34Å; L831-D834 WeakPolarHBondContact O-CB 3.44Å; L831-D834 PolarHBondContact O-N 3.39Å; L831-I835 HydrophobicContact CD1-CD1 4.31Å; L831-I835 HydrophobicContact CD1-CG1 4.36Å; L831-I835 HydrophobicContact CG-CD1 3.91Å; L831-I835 HydrophobicContact CG-CG1 4.43Å; L831-I835 VanDerWaalsContact O-CG1 3.24Å; L831-I835 WeakPolarHBondContact O-CG1 3.38Å; L831-I835 PolarHBondContact O-N 3.29Å; L831-A912 HydrophobicContact CD1-CB 3.99Å; L831-A912 HydrophobicContact CD2-CB 4.17Å; L831-A912 HydrophobicContact CG-CB 4.4Å; L831-N918 HydrophobicContact CB-CB 4.22Å; L831-N918 HydrophobicContact CD1-CB 4.17Å; L831-L919 HydrophobicContact CD1-CB 4.07Å; L831-L919 HydrophobicContact CD2-CB 4.31Å; L831-L919 HydrophobicContact CD2-CD1 3.87Å; L831-L922 HydrophobicContact CD2-CD2 3.54Å
832Q88.6Confident83.6Confident3 Ų350.5 Ų50.51%0.01429%0.292CS..Hα-helixtrans-64.7-39.7176.9-76.1168.319.400112.7S828 K829 D830 D834 I835 V836 L859S828-Q832 VanDerWaalsContact O-CG 3.31Å; S828-Q832 WeakPolarHBondContact O-CG 3.38Å; S828-Q832 PolarHBondContact O-N 3.14Å; S828-Q832 PolarHBondContact OG-NE2 3.01Å; K829-Q832 PolarHBondContact O-N 2.61Å; D830-Q832 VanDerWaalsContact C-N 3.32Å; D830-Q832 PolarHBondContact O-N 2.97Å; Q832-D834 VanDerWaalsContact C-N 3.32Å; Q832-D834 PolarHBondContact O-N 2.96Å; Q832-I835 PolarHBondContact O-N 2.89Å; Q832-V836 VanDerWaalsContact O-CG2 3.28Å; Q832-V836 WeakPolarHBondContact O-CG2 3.19Å; Q832-V836 PolarHBondContact O-N 3.04Å; Q832-L859 VanDerWaalsContact CD-CD2 3.45Å; Q832-L859 HydrophobicContact CG-CD2 4.12Å
833R86.6Confident82Confident94 Ų9448.8 Ų48.836%0.35529%0.288SS..Hα-helixtrans-58.9-46.1173.9-175.7175.860.6-111.1-3.8110.8K829 D830 L831 V836 E837K829-R833 PolarHBondContact O-N 2.85Å; K829-R833 VanDerWaalsContact O-N 3.13Å; D830-R833 WeakPolarHBondContact O-CB 3.29Å; D830-R833 PolarHBondContact O-N 3.02Å; D830-R833 IonicContact OD1-CZ 2.9Å; D830-R833 VanDerWaalsContact OD1-CZ 3.22Å; D830-R833 IonicContact OD1-NH1 2.7Å; D830-R833 PolarHBondContact OD1-NH1 3.25Å; D830-R833 IonicContact OD1-NH2 2.85Å; D830-R833 PolarHBondContact OD1-NH2 2.92Å; L831-R833 VanDerWaalsContact C-N 3.34Å; R833-V836 PolarHBondContact O-N 3.05Å; R833-E837 WeakPolarHBondContact CG-OE1 3.32Å; R833-E837 WeakPolarHBondContact O-CB 3.4Å; R833-E837 VanDerWaalsContact O-CG 3.31Å; R833-E837 WeakPolarHBondContact O-CG 3.32Å; R833-E837 PolarHBondContact O-N 3.28Å
834D86.8Confident80.9Confident49 Ų4946.2 Ų46.226%0.26228%0.282SS..Hα-helixtrans-60.1-46.9176.2-71.97.6000112.2D830 L831 Q832 V836 E837 S838 N918D830-D834 PolarHBondContact O-N 3.41Å; D830-D834 VanDerWaalsContact O-N 3.17Å; L831-D834 WeakPolarHBondContact O-CB 3.44Å; L831-D834 PolarHBondContact O-N 3.39Å; Q832-D834 VanDerWaalsContact C-N 3.32Å; Q832-D834 PolarHBondContact O-N 2.96Å; D834-V836 VanDerWaalsContact C-N 3.31Å; D834-V836 PolarHBondContact O-N 2.69Å; D834-E837 PolarHBondContact O-N 2.99Å; D834-S838 WeakPolarHBondContact O-CB 3.33Å; D834-S838 PolarHBondContact O-N 2.8Å; D834-S838 PolarHBondContact O-OG 3.34Å; D834-S838 VanDerWaalsContact O-OG 3.07Å; D834-N918 PolarHBondContact OD1-ND2 2.95Å; D834-N918 WeakPolarHBondContact OD2-CB 3.33Å; D834-N918 PolarHBondContact OD2-ND2 2.9Å
835I83.8Confident79.8Confident5 Ų550 Ų503%0.02630%0.3CS..Hα-helixtrans-58.1-44.7-180-71.5166.8000111L831 Q832 S838 G839 F848 W855 S908 K911 A912L831-I835 HydrophobicContact CD1-CD1 4.31Å; L831-I835 HydrophobicContact CD1-CG1 4.36Å; L831-I835 HydrophobicContact CG-CD1 3.91Å; L831-I835 HydrophobicContact CG-CG1 4.43Å; L831-I835 VanDerWaalsContact O-CG1 3.24Å; L831-I835 WeakPolarHBondContact O-CG1 3.38Å; L831-I835 PolarHBondContact O-N 3.29Å; Q832-I835 PolarHBondContact O-N 2.89Å; I835-S838 PolarHBondContact O-OG 2.84Å; I835-G839 PolarHBondContact O-N 2.87Å; I835-F848 HydrophobicContact CG2-CE1 3.99Å; I835-F848 HydrophobicContact CG2-CZ 3.96Å; I835-W855 HydrophobicContact CD1-CZ2 4.36Å; I835-W855 HydrophobicContact CG2-CH2 4.07Å; I835-S908 WeakPolarHBondContact CD1-O 3.49Å; I835-K911 HydrophobicContact CD1-CB 4.5Å; I835-K911 HydrophobicContact CG2-CB 3.75Å; I835-A912 HydrophobicContact CD1-CB 3.98Å; I835-A912 HydrophobicContact CG1-CB 4.29Å
836V82.6Confident78.7Confident2 Ų254.3 Ų54.31%0.01232%0.319CS..Hα-helixtrans-67.8-44.7178.5174.70000110.3Q832 R833 D834 S838 G839 R840 M845 F848 Y849Q832-V836 VanDerWaalsContact O-CG2 3.28Å; Q832-V836 WeakPolarHBondContact O-CG2 3.19Å; Q832-V836 PolarHBondContact O-N 3.04Å; R833-V836 PolarHBondContact O-N 3.05Å; D834-V836 VanDerWaalsContact C-N 3.31Å; D834-V836 PolarHBondContact O-N 2.69Å; V836-S838 VanDerWaalsContact C-N 3.34Å; V836-S838 PolarHBondContact O-N 3.33Å; V836-G839 PolarHBondContact O-N 3.25Å; V836-R840 WeakPolarHBondContact O-CB 3.39Å; V836-R840 VanDerWaalsContact O-CG 3.23Å; V836-R840 WeakPolarHBondContact O-CG 3.38Å; V836-R840 PolarHBondContact O-N 3.38Å; V836-M845 HydrophobicContact CB-CE 3.92Å; V836-M845 HydrophobicContact CG1-CB 3.8Å; V836-M845 HydrophobicContact CG1-CE 3.82Å; V836-M845 HydrophobicContact CG1-CG 3.81Å; V836-M845 HydrophobicContact CG2-CE 3.98Å; V836-F848 HydrophobicContact CB-CD1 4.33Å; V836-F848 HydrophobicContact CG1-CB 4.4Å; V836-F848 HydrophobicContact CG1-CD1 4.41Å; V836-F848 HydrophobicContact CG1-CG 4.44Å; V836-F848 HydrophobicContact CG2-CD1 3.71Å; V836-F848 HydrophobicContact CG2-CE1 4Å; V836-Y849 HydrophobicContact CG2-CE1 4.18Å; V836-Y849 HydrophobicContact CG2-CE2 3.77Å; V836-Y849 WeakPolarHBondContact CG2-OH 2.83Å
837E81.3Confident77.7Confident103 Ų10355 Ų5548%0.48132%0.32SS..Hα-helixtrans-64-37.4-179.6-75.9178.5-176.200112.6R833 D834R833-E837 WeakPolarHBondContact CG-OE1 3.32Å; R833-E837 WeakPolarHBondContact O-CB 3.4Å; R833-E837 VanDerWaalsContact O-CG 3.31Å; R833-E837 WeakPolarHBondContact O-CG 3.32Å; R833-E837 PolarHBondContact O-N 3.28Å; D834-E837 PolarHBondContact O-N 2.99Å
838S76.3Confident77Confident93 Ų9355.5 Ų55.565%0.6532%0.321SS*.Hα-helixtrans-78.6-31.8177.267.10000113.3D834 I835 V836D834-S838 WeakPolarHBondContact O-CB 3.33Å; D834-S838 PolarHBondContact O-N 2.8Å; D834-S838 PolarHBondContact O-OG 3.34Å; D834-S838 VanDerWaalsContact O-OG 3.07Å; I835-S838 PolarHBondContact O-OG 2.84Å; V836-S838 VanDerWaalsContact C-N 3.34Å; V836-S838 PolarHBondContact O-N 3.33Å
839G65.4Low76.3Confident43 Ų4355.9 Ų55.944%0.44332%0.323SS..Hα-helixtrans-96.6-11.4-17200000116.1I835 V836I835-G839 PolarHBondContact O-N 2.87Å; V836-G839 PolarHBondContact O-N 3.25Å
840R62.2Low75.4Confident118 Ų11853.2 Ų53.245%0.44531%0.314SS..  trans-76.7-28.7-171.864-179.1-179.3-176.4-2.2115.9V836 A842 A843V836-R840 WeakPolarHBondContact O-CB 3.39Å; V836-R840 VanDerWaalsContact O-CG 3.23Å; V836-R840 WeakPolarHBondContact O-CG 3.38Å; V836-R840 PolarHBondContact O-N 3.38Å; R840-A842 PolarHBondContact O-N 3.44Å; R840-A842 VanDerWaalsContact O-N 3.12Å; R840-A843 VanDerWaalsContact O-CB 3.29Å; R840-A843 WeakPolarHBondContact O-CB 3.11Å; R840-A843 PolarHBondContact O-N 2.88Å
841G65.9Low74.5Confident71 Ų7158.7 Ų58.773%0.73234%0.335SS*.THydrogen-bonded Turntrans54-117.1-164.900000111.5
842A48.9Very low73.8Confident115 Ų11560.1 Ų60.195%0.9534%0.343SS*.THydrogen-bonded Turntrans-94.81175.300000114.7R840R840-A842 PolarHBondContact O-N 3.44Å; R840-A842 VanDerWaalsContact O-N 3.12Å
843A60.1Low72.9Confident21 Ų2161.7 Ų61.717%0.17435%0.354CS..SBendtrans-81.5157.2-177.600000112.7R840 E847R840-A843 VanDerWaalsContact O-CB 3.29Å; R840-A843 WeakPolarHBondContact O-CB 3.11Å; R840-A843 PolarHBondContact O-N 2.88Å; A843-E847 WeakPolarHBondContact CA-OE2 3.42Å; A843-E847 HydrophobicContact CB-CB 4.25Å; A843-E847 WeakPolarHBondContact CB-OE2 3.43Å
844S72.1Confident72.2Confident50 Ų5066 Ų6635%0.3537%0.371SS..  trans-75.8158.617572.80000112.3K846 E847 F848S844-K846 PolarHBondContact O-N 3.44Å; S844-E847 PolarHBondContact N-OE2 3.33Å; S844-E847 VanDerWaalsContact N-OE2 3.14Å; S844-E847 WeakPolarHBondContact O-CB 3.32Å; S844-E847 PolarHBondContact O-N 3Å; S844-E847 VanDerWaalsContact OG-CG 3.27Å; S844-E847 WeakPolarHBondContact OG-CG 3.32Å; S844-E847 PolarHBondContact OG-N 2.97Å; S844-E847 PolarHBondContact OG-OE1 3.08Å; S844-E847 VanDerWaalsContact OG-OE1 3.09Å; S844-F848 PolarHBondContact O-N 3.34Å
845M70.9Confident72Confident78 Ų7864.9 Ų64.938%0.38436%0.363SS..Hα-helixtrans-56.7-37.6176.1169.3171.9-104.800112V836 F848 Y849V836-M845 HydrophobicContact CB-CE 3.92Å; V836-M845 HydrophobicContact CG1-CB 3.8Å; V836-M845 HydrophobicContact CG1-CE 3.82Å; V836-M845 HydrophobicContact CG1-CG 3.81Å; V836-M845 HydrophobicContact CG2-CE 3.98Å; M845-F848 PolarHBondContact O-N 3.43Å; M845-Y849 HydrophobicContact CE-CE2 4.39Å; M845-Y849 HydrophobicContact CG-CD2 3.98Å; M845-Y849 HydrophobicContact CG-CE2 3.67Å; M845-Y849 WeakPolarHBondContact O-CD2 3.45Å; M845-Y849 PolarHBondContact O-N 3.12Å; M845-Y849 HydrophobicContact SD-CE2 4.39Å
846K71.9Confident72Confident93 Ų9364.7 Ų64.740%0.40436%0.362SS..Hα-helixtrans-65.7-45.2176.6-61.5-169.1-178.6-160.50111.8D768 S844 F848 Y849 A850D768-K846 WeakPolarHBondContact OD1-CE 3.43Å; D768-K846 IonicContact OD1-NZ 3.76Å; D768-K846 PolarHBondContact OD1-NZ 3.12Å; D768-K846 IonicContact OD2-NZ 3.27Å; D768-K846 PolarHBondContact OD2-NZ 3.36Å; S844-K846 PolarHBondContact O-N 3.44Å; K846-F848 VanDerWaalsContact C-N 3.25Å; K846-F848 PolarHBondContact O-N 3.22Å; K846-Y849 PolarHBondContact O-N 2.93Å; K846-A850 WeakPolarHBondContact O-CB 3.48Å; K846-A850 PolarHBondContact O-N 2.97Å
847E71.1Confident72Confident95 Ų9569.6 Ų69.644%0.44439%0.385SS..Hα-helixtrans-62.7-33.3175.7-75.4159.5-146.200112.4A843 S844 K851A843-E847 WeakPolarHBondContact CA-OE2 3.42Å; A843-E847 HydrophobicContact CB-CB 4.25Å; A843-E847 WeakPolarHBondContact CB-OE2 3.43Å; S844-E847 PolarHBondContact N-OE2 3.33Å; S844-E847 VanDerWaalsContact N-OE2 3.14Å; S844-E847 WeakPolarHBondContact O-CB 3.32Å; S844-E847 PolarHBondContact O-N 3Å; S844-E847 VanDerWaalsContact OG-CG 3.27Å; S844-E847 WeakPolarHBondContact OG-CG 3.32Å; S844-E847 PolarHBondContact OG-N 2.97Å; S844-E847 PolarHBondContact OG-OE1 3.08Å; S844-E847 VanDerWaalsContact OG-OE1 3.09Å; E847-K851 WeakPolarHBondContact O-CB 3.38Å; E847-K851 VanDerWaalsContact O-CG 3.25Å; E847-K851 WeakPolarHBondContact O-CG 3.34Å; E847-K851 PolarHBondContact O-N 3.04Å
848F77.6Confident72.1Confident21 Ų2166.4 Ų66.49%0.09238%0.379CS..Hα-helixtrans-65.6-47.1176.4-177.9-91000112I835 V836 S844 M845 K846 K851 N852 W855I835-F848 HydrophobicContact CG2-CE1 3.99Å; I835-F848 HydrophobicContact CG2-CZ 3.96Å; V836-F848 HydrophobicContact CB-CD1 4.33Å; V836-F848 HydrophobicContact CG1-CB 4.4Å; V836-F848 HydrophobicContact CG1-CD1 4.41Å; V836-F848 HydrophobicContact CG1-CG 4.44Å; V836-F848 HydrophobicContact CG2-CD1 3.71Å; V836-F848 HydrophobicContact CG2-CE1 4Å; S844-F848 PolarHBondContact O-N 3.34Å; M845-F848 PolarHBondContact O-N 3.43Å; K846-F848 VanDerWaalsContact C-N 3.25Å; K846-F848 PolarHBondContact O-N 3.22Å; F848-K851 PolarHBondContact O-N 2.78Å; F848-N852 PolarHBondContact O-N 2.7Å; F848-N852 PolarHBondContact O-ND2 3.48Å; F848-W855 HydrophobicContact CE1-CZ3 4.02Å
849Y78.9Confident72.5Confident7 Ų762 Ų623%0.02735%0.349CS..Hα-helixtrans-67.2-36.8176.7-74.2-62.2000112.6V770 V836 M845 K846 N852 S853 W855 T856V770-Y849 HydrophobicContact CG1-CE1 4.28Å; V770-Y849 HydrophobicContact CG2-CD1 4.1Å; V770-Y849 HydrophobicContact CG2-CE1 4.19Å; V770-Y849 HydrophobicContact CG2-CG 4.38Å; V836-Y849 HydrophobicContact CG2-CE1 4.18Å; V836-Y849 HydrophobicContact CG2-CE2 3.77Å; V836-Y849 WeakPolarHBondContact CG2-OH 2.83Å; M845-Y849 HydrophobicContact CE-CE2 4.39Å; M845-Y849 HydrophobicContact CG-CD2 3.98Å; M845-Y849 HydrophobicContact CG-CE2 3.67Å; M845-Y849 WeakPolarHBondContact O-CD2 3.45Å; M845-Y849 PolarHBondContact O-N 3.12Å; M845-Y849 HydrophobicContact SD-CE2 4.39Å; K846-Y849 PolarHBondContact O-N 2.93Å; Y849-N852 CarbonylContact O-C 3.51Å; Y849-N852 VanDerWaalsContact O-C 3.25Å; Y849-N852 PolarHBondContact O-N 3.33Å; Y849-S853 PolarHBondContact O-N 2.64Å; Y849-W855 HydrophobicContact CD1-CE3 4.46Å; Y849-W855 AromaticContact CD1-CZ3 3.73Å; Y849-W855 HydrophobicContact CD1-CZ3 3.73Å; Y849-W855 AromaticContact CE1-CH2 3.95Å; Y849-W855 HydrophobicContact CE1-CH2 3.95Å; Y849-W855 AromaticContact CE1-CZ3 3.6Å; Y849-W855 HydrophobicContact CE1-CZ3 3.6Å; Y849-T856 HydrophobicContact CD1-CG2 3.88Å; Y849-T856 HydrophobicContact CG-CG2 4.23Å; Y849-T856 PolarHBondContact O-OG1 2.99Å
850A71.8Confident73.5Confident13 Ų1360.5 Ų60.511%0.10733%0.33CS..Hα-helixtrans-61.4-46.8174.600000112.4Q763 K846 N852 S853Q763-A850 HydrophobicContact CB-CB 4.1Å; Q763-A850 VanDerWaalsContact O-CB 3.25Å; Q763-A850 WeakPolarHBondContact O-CB 3Å; K846-A850 WeakPolarHBondContact O-CB 3.48Å; K846-A850 PolarHBondContact O-N 2.97Å; A850-N852 PolarHBondContact O-N 3.28Å; A850-S853 PolarHBondContact O-N 3.07Å
851K71.5Confident74.7Confident157 Ų15758.6 Ų58.668%0.68334%0.335SS*.Hα-helixtrans-65.2-19.2176.6-76177-178.6-179.30113.7E847 F848E847-K851 WeakPolarHBondContact O-CB 3.38Å; E847-K851 VanDerWaalsContact O-CG 3.25Å; E847-K851 WeakPolarHBondContact O-CG 3.34Å; E847-K851 PolarHBondContact O-N 3.04Å; F848-K851 PolarHBondContact O-N 2.78Å
852N74.8Confident75.8Confident32 Ų3255.5 Ų55.517%0.17130%0.303CS..THydrogen-bonded Turntrans-116.738.8178.5-64.1-90000111F848 Y849 A850 R854 W855 T856 K911F848-N852 PolarHBondContact O-N 2.7Å; F848-N852 PolarHBondContact O-ND2 3.48Å; Y849-N852 CarbonylContact O-C 3.51Å; Y849-N852 VanDerWaalsContact O-C 3.25Å; Y849-N852 PolarHBondContact O-N 3.33Å; A850-N852 PolarHBondContact O-N 3.28Å; N852-R854 PolarHBondContact O-N 3.16Å; N852-W855 HydrophobicContact CB-CB 4.45Å; N852-W855 HydrophobicContact CB-CE3 3.97Å; N852-W855 WeakPolarHBondContact O-CB 3.35Å; N852-W855 PolarHBondContact O-N 2.83Å; N852-T856 PolarHBondContact O-N 3.33Å; N852-T856 PolarHBondContact O-OG1 3.24Å; N852-K911 WeakPolarHBondContact OD1-CE 3.47Å; N852-K911 PolarHBondContact OD1-NZ 2.94Å
853S71Confident77.8Confident35 Ų3550 Ų5025%0.24526%0.257CS..Hα-helixtrans-46.9-51.3-170.154.80000114.9Y849 A850 W855 T856 E857Y849-S853 PolarHBondContact O-N 2.64Å; A850-S853 PolarHBondContact O-N 3.07Å; S853-W855 VanDerWaalsContact C-N 3.34Å; S853-W855 PolarHBondContact O-N 2.84Å; S853-T856 WeakPolarHBondContact O-CB 3.42Å; S853-T856 PolarHBondContact O-N 3.3Å; S853-T856 VanDerWaalsContact O-N 3.15Å; S853-E857 WeakPolarHBondContact O-CG 3.3Å; S853-E857 PolarHBondContact O-N 2.98Å
854R72.2Confident79.2Confident185 Ų18553.7 Ų53.770%0.69827%0.269SS*.Hα-helixtrans-62.9-37.2-179.5-63.7-177.278.81755.6113.5N852 G858N852-R854 PolarHBondContact O-N 3.16Å; R854-G858 PolarHBondContact O-N 2.86Å; R854-G858 VanDerWaalsContact O-N 3.12Å
855W82.8Confident80.1Confident26 Ų2652.6 Ų52.610%0.09826%0.263CS..Hα-helixtrans-68.9-42.5175.316971.2000110.8I835 F848 Y849 N852 S853 E857 G858 L859 A907 K911I835-W855 HydrophobicContact CD1-CZ2 4.36Å; I835-W855 HydrophobicContact CG2-CH2 4.07Å; F848-W855 HydrophobicContact CE1-CZ3 4.02Å; Y849-W855 HydrophobicContact CD1-CE3 4.46Å; Y849-W855 AromaticContact CD1-CZ3 3.73Å; Y849-W855 HydrophobicContact CD1-CZ3 3.73Å; Y849-W855 AromaticContact CE1-CH2 3.95Å; Y849-W855 HydrophobicContact CE1-CH2 3.95Å; Y849-W855 AromaticContact CE1-CZ3 3.6Å; Y849-W855 HydrophobicContact CE1-CZ3 3.6Å; N852-W855 HydrophobicContact CB-CB 4.45Å; N852-W855 HydrophobicContact CB-CE3 3.97Å; N852-W855 WeakPolarHBondContact O-CB 3.35Å; N852-W855 PolarHBondContact O-N 2.83Å; S853-W855 VanDerWaalsContact C-N 3.34Å; S853-W855 PolarHBondContact O-N 2.84Å; W855-E857 VanDerWaalsContact C-N 3.35Å; W855-E857 PolarHBondContact O-N 3.49Å; W855-G858 PolarHBondContact O-N 3.39Å; W855-L859 HydrophobicContact CH2-CD2 4.38Å; W855-L859 HydrophobicContact CZ2-CD2 4.35Å; W855-L859 WeakPolarHBondContact O-CB 3.44Å; W855-L859 PolarHBondContact O-N 2.99Å; W855-A907 PolarHBondContact NE1-O 3.49Å; W855-K911 HydrophobicContact CD2-CG 3.82Å; W855-K911 HydrophobicContact CE3-CG 4.35Å; W855-K911 HydrophobicContact CG-CG 4.06Å; W855-K911 HydrophobicContact CZ2-CB 4.06Å; W855-K911 HydrophobicContact CZ2-CG 4.21Å
856T82.9Confident81.2Confident0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-59.9-42.7176.2-55.30000111.8L766 V770 Y849 N852 S853 L859 I860L766-T856 HydrophobicContact CB-CG2 4.19Å; L766-T856 HydrophobicContact CD2-CG2 3.92Å; L766-T856 HydrophobicContact CG-CG2 4.34Å; V770-T856 HydrophobicContact CG2-CG2 3.29Å; Y849-T856 HydrophobicContact CD1-CG2 3.88Å; Y849-T856 HydrophobicContact CG-CG2 4.23Å; Y849-T856 PolarHBondContact O-OG1 2.99Å; N852-T856 PolarHBondContact O-N 3.33Å; N852-T856 PolarHBondContact O-OG1 3.24Å; S853-T856 WeakPolarHBondContact O-CB 3.42Å; S853-T856 PolarHBondContact O-N 3.3Å; S853-T856 VanDerWaalsContact O-N 3.15Å; T856-L859 WeakPolarHBondContact O-CB 3.27Å; T856-L859 PolarHBondContact O-N 3.44Å; T856-I860 HydrophobicContact CG2-CD1 4.15Å; T856-I860 VanDerWaalsContact O-CG1 3.3Å; T856-I860 WeakPolarHBondContact O-CG1 3.44Å; T856-I860 PolarHBondContact O-N 3.39Å
857E81.9Confident82.2Confident106 Ų10644.8 Ų44.850%0.49523%0.229SC..Hα-helixtrans-65.5-45.7176.3-74.1168.5-179.100112.5L766 S853 W855 L859 I860 S861L766-E857 HydrophobicContact CD2-CG 4.18Å; S853-E857 WeakPolarHBondContact O-CG 3.3Å; S853-E857 PolarHBondContact O-N 2.98Å; W855-E857 VanDerWaalsContact C-N 3.35Å; W855-E857 PolarHBondContact O-N 3.49Å; E857-L859 PolarHBondContact O-N 3.2Å; E857-I860 PolarHBondContact O-N 3.05Å; E857-S861 WeakPolarHBondContact O-CB 3.48Å; E857-S861 PolarHBondContact O-N 3.49Å
858G83.3Confident83.2Confident36 Ų3647.7 Ų47.737%0.37124%0.236SC..Hα-helixtrans-60.1-35.3175.800000112.4R854 W855 A862R854-G858 PolarHBondContact O-N 2.86Å; R854-G858 VanDerWaalsContact O-N 3.12Å; W855-G858 PolarHBondContact O-N 3.39Å; G858-A862 WeakPolarHBondContact O-CB 3.4Å; G858-A862 PolarHBondContact O-N 2.89Å
859L86.2Confident83.8Confident1 Ų146.9 Ų46.91%0.00523%0.233CC..Hα-helixtrans-69.3-43.6176-177.671.1000112.9V770 M774 Q832 W855 T856 E857 S863 L904 A907V770-L859 HydrophobicContact CG1-CD2 4Å; M774-L859 HydrophobicContact CE-CD1 4.25Å; M774-L859 HydrophobicContact CE-CG 4.44Å; Q832-L859 VanDerWaalsContact CD-CD2 3.45Å; Q832-L859 HydrophobicContact CG-CD2 4.12Å; W855-L859 HydrophobicContact CH2-CD2 4.38Å; W855-L859 HydrophobicContact CZ2-CD2 4.35Å; W855-L859 WeakPolarHBondContact O-CB 3.44Å; W855-L859 PolarHBondContact O-N 2.99Å; T856-L859 WeakPolarHBondContact O-CB 3.27Å; T856-L859 PolarHBondContact O-N 3.44Å; E857-L859 PolarHBondContact O-N 3.2Å; L859-S863 WeakPolarHBondContact O-CB 3.48Å; L859-S863 PolarHBondContact O-N 2.89Å; L859-L904 HydrophobicContact CD1-CD1 4.1Å; L859-A907 HydrophobicContact CD1-CB 4.16Å
860I86.5Confident84.5Confident11 Ų1146.5 Ų46.56%0.05623%0.232CC..Hα-helixtrans-62.7-45.5175.4-70.2165.9000110.3L769 V770 E773 T856 E857 S863 K864L769-I860 HydrophobicContact CB-CD1 4.13Å; L769-I860 HydrophobicContact CD2-CD1 4.05Å; L769-I860 HydrophobicContact CG-CD1 4.02Å; V770-I860 HydrophobicContact CB-CG1 4.47Å; V770-I860 HydrophobicContact CG2-CD1 3.83Å; V770-I860 HydrophobicContact CG2-CG1 3.86Å; E773-I860 HydrophobicContact CB-CG2 4.25Å; E773-I860 HydrophobicContact CG-CG2 4.03Å; T856-I860 HydrophobicContact CG2-CD1 4.15Å; T856-I860 VanDerWaalsContact O-CG1 3.3Å; T856-I860 WeakPolarHBondContact O-CG1 3.44Å; T856-I860 PolarHBondContact O-N 3.39Å; E857-I860 PolarHBondContact O-N 3.05Å; I860-S863 WeakPolarHBondContact O-CB 3.08Å; I860-S863 PolarHBondContact O-N 3.31Å; I860-K864 HydrophobicContact CG2-CD 4.24Å; I860-K864 WeakPolarHBondContact O-CG 3.36Å; I860-K864 PolarHBondContact O-N 3.23Å
861S85.8Confident85.5Confident77 Ų7748.6 Ų48.654%0.53824%0.243SC..Hα-helixtrans-61-46.7179-175.60000112E857 S863 K864 A865E857-S861 WeakPolarHBondContact O-CB 3.48Å; E857-S861 PolarHBondContact O-N 3.49Å; S861-S863 VanDerWaalsContact C-N 3.31Å; S861-S863 PolarHBondContact O-N 3Å; S861-K864 WeakPolarHBondContact O-CB 3.05Å; S861-K864 PolarHBondContact O-N 3.29Å; S861-A865 PolarHBondContact O-N 3.47Å; S861-A865 VanDerWaalsContact O-N 3.08Å
862A89Confident86.5Confident7 Ų743.1 Ų43.16%0.05822%0.223CC..Hα-helixtrans-64.1-36.2177.500000112.4G858 V866 Q903 L904 A907G858-A862 WeakPolarHBondContact O-CB 3.4Å; G858-A862 PolarHBondContact O-N 2.89Å; A862-V866 WeakPolarHBondContact O-CG2 3.48Å; A862-V866 PolarHBondContact O-N 3.32Å; A862-Q903 HydrophobicContact CB-CB 4.4Å; A862-L904 HydrophobicContact CB-CB 4.19Å; A862-L904 HydrophobicContact CB-CD1 4.06Å; A862-A907 HydrophobicContact CB-CB 4.31Å
863S91.4Very high87.3Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-63.5-48174.1-175.80000111.8M774 T777 L859 I860 S861 A865 V866 G867M774-S863 PolarHBondContact SD-OG 3.11Å; T777-S863 WeakPolarHBondContact CB-OG 3.4Å; T777-S863 WeakPolarHBondContact CG2-O 3.42Å; T777-S863 PolarHBondContact OG1-O 3.48Å; T777-S863 PolarHBondContact OG1-OG 2.88Å; L859-S863 WeakPolarHBondContact O-CB 3.48Å; L859-S863 PolarHBondContact O-N 2.89Å; I860-S863 WeakPolarHBondContact O-CB 3.08Å; I860-S863 PolarHBondContact O-N 3.31Å; S861-S863 VanDerWaalsContact C-N 3.31Å; S861-S863 PolarHBondContact O-N 3Å; S863-A865 VanDerWaalsContact C-N 3.31Å; S863-A865 PolarHBondContact O-N 3.18Å; S863-V866 WeakPolarHBondContact O-CB 3.28Å; S863-V866 PolarHBondContact O-N 2.88Å; S863-V866 VanDerWaalsContact O-N 3.12Å; S863-G867 PolarHBondContact O-N 2.94Å; S863-G867 VanDerWaalsContact O-N 3.16Å
864K89.8Confident88.4Confident98 Ų9840 Ų4043%0.42620%0.204SC..Hα-helixtrans-54.4-45.7176.3-78.8172.7179.2-179.10112.6E773 I860 S861 V866 G867 W868E773-K864 HydrophobicContact CG-CD 4.42Å; E773-K864 HydrophobicContact CG-CG 3.69Å; E773-K864 WeakPolarHBondContact OE1-CG 3.12Å; E773-K864 WeakPolarHBondContact OE2-CE 3.3Å; E773-K864 IonicContact OE2-NZ 3.22Å; I860-K864 HydrophobicContact CG2-CD 4.24Å; I860-K864 WeakPolarHBondContact O-CG 3.36Å; I860-K864 PolarHBondContact O-N 3.23Å; S861-K864 WeakPolarHBondContact O-CB 3.05Å; S861-K864 PolarHBondContact O-N 3.29Å; K864-V866 VanDerWaalsContact C-N 3.29Å; K864-V866 PolarHBondContact O-N 3.43Å; K864-G867 PolarHBondContact O-N 3.37Å; K864-W868 PolarHBondContact O-N 3.17Å
865A90.6Very high89.4Confident27 Ų2734.2 Ų34.222%0.22319%0.187CC..Hα-helixtrans-60-39.6179.900000112S861 S863 G869S861-A865 PolarHBondContact O-N 3.47Å; S861-A865 VanDerWaalsContact O-N 3.08Å; S863-A865 VanDerWaalsContact C-N 3.31Å; S863-A865 PolarHBondContact O-N 3.18Å; A865-G869 PolarHBondContact O-N 3.26Å
866V94Very high89.9Confident0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-64.9-44.6176174.40000111.5T777 I821 I825 A862 S863 K864 G869 A870 S900 T901 L904T777-V866 HydrophobicContact CG2-CB 4.1Å; T777-V866 HydrophobicContact CG2-CG1 4.06Å; I821-V866 HydrophobicContact CG2-CG1 3.82Å; I825-V866 HydrophobicContact CD1-CG1 4.11Å; I825-V866 HydrophobicContact CG1-CG1 4.42Å; A862-V866 WeakPolarHBondContact O-CG2 3.48Å; A862-V866 PolarHBondContact O-N 3.32Å; S863-V866 WeakPolarHBondContact O-CB 3.28Å; S863-V866 PolarHBondContact O-N 2.88Å; S863-V866 VanDerWaalsContact O-N 3.12Å; K864-V866 VanDerWaalsContact C-N 3.29Å; K864-V866 PolarHBondContact O-N 3.43Å; V866-G869 PolarHBondContact O-N 2.86Å; V866-A870 PolarHBondContact O-N 3.24Å; V866-S900 VanDerWaalsContact CG2-C 3.49Å; V866-S900 WeakPolarHBondContact CG2-O 3.42Å; V866-T901 HydrophobicContact CG1-CG2 4.04Å; V866-T901 HydrophobicContact CG2-CG2 3.99Å; V866-L904 HydrophobicContact CG2-CB 4.18Å; V866-L904 HydrophobicContact CG2-CD2 4.07Å
867G92.4Very high90.4Very high7 Ų733.2 Ų33.27%0.07218%0.183CC..Hα-helixtrans-64.8-41.3179.600000112.7S863 K864 T871S863-G867 PolarHBondContact O-N 2.94Å; S863-G867 VanDerWaalsContact O-N 3.16Å; K864-G867 PolarHBondContact O-N 3.37Å; G867-T871 PolarHBondContact O-N 3.3Å; G867-T871 PolarHBondContact O-OG1 3.31Å
868W91.9Very high90.9Very high156 Ų15630 Ų3059%0.59117%0.17SC*.Hα-helixtrans-63.8-47.7173.2176.683000111.7K864 A870 T871 V872 E896K864-W868 PolarHBondContact O-N 3.17Å; W868-A870 VanDerWaalsContact C-N 3.27Å; W868-A870 PolarHBondContact O-N 3.14Å; W868-T871 WeakPolarHBondContact O-CB 3.18Å; W868-T871 PolarHBondContact O-N 3.1Å; W868-T871 VanDerWaalsContact O-N 3.08Å; W868-V872 HydrophobicContact CD2-CG2 3.92Å; W868-V872 VanDerWaalsContact CE2-CG2 3.48Å; W868-V872 HydrophobicContact CE3-CG2 4.42Å; W868-V872 HydrophobicContact CG-CG2 4.42Å; W868-V872 HydrophobicContact CH2-CG2 4.16Å; W868-V872 HydrophobicContact CZ2-CG2 3.64Å; W868-V872 WeakPolarHBondContact O-CG2 3.26Å; W868-V872 PolarHBondContact O-N 2.82Å; W868-E896 HydrophobicContact CZ3-CG 4.37Å
869G91.4Very high91.2Very high3 Ų331.8 Ų31.83%0.03117%0.169CC..Hα-helixtrans-57.6-38.9178.600000112.8A865 V866 T871 V872 M873A865-G869 PolarHBondContact O-N 3.26Å; V866-G869 PolarHBondContact O-N 2.86Å; G869-T871 PolarHBondContact O-N 3.38Å; G869-V872 PolarHBondContact O-N 3.37Å; G869-M873 WeakPolarHBondContact O-CB 3.15Å; G869-M873 PolarHBondContact O-N 2.89Å
870A93.6Very high91.4Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-61.9-42175.600000112.6V781 A784 M818 V866 W868 V874 I897V781-A870 HydrophobicContact CG2-CB 3.77Å; A784-A870 HydrophobicContact CB-CB 4.33Å; M818-A870 HydrophobicContact CE-CB 4.04Å; M818-A870 HydrophobicContact SD-CB 3.95Å; V866-A870 PolarHBondContact O-N 3.24Å; W868-A870 VanDerWaalsContact C-N 3.27Å; W868-A870 PolarHBondContact O-N 3.14Å; A870-V874 WeakPolarHBondContact O-CG2 3.34Å; A870-V874 PolarHBondContact O-N 3.44Å; A870-I897 HydrophobicContact CB-CD1 3.93Å; A870-I897 VanDerWaalsContact N-CD1 3.31Å
871T91.9Very high91.5Very high57 Ų5732 Ų3235%0.3517%0.171SC..Hα-helixtrans-66.7-48.7178.7-55.30000111G867 W868 G869 M873 V874 D875G867-T871 PolarHBondContact O-N 3.3Å; G867-T871 PolarHBondContact O-OG1 3.31Å; W868-T871 WeakPolarHBondContact O-CB 3.18Å; W868-T871 PolarHBondContact O-N 3.1Å; W868-T871 VanDerWaalsContact O-N 3.08Å; G869-T871 PolarHBondContact O-N 3.38Å; T871-M873 VanDerWaalsContact C-N 3.34Å; T871-M873 PolarHBondContact O-N 2.74Å; T871-V874 PolarHBondContact O-N 3.43Å; T871-D875 PolarHBondContact O-N 3.32Å
872V91.9Very high91.5Very high42 Ų4232.4 Ų32.426%0.25517%0.165SC..Hα-helixtrans-64.1-38.5-178.7176.20000111.9W868 G869 V874 D875 A876W868-V872 HydrophobicContact CD2-CG2 3.92Å; W868-V872 VanDerWaalsContact CE2-CG2 3.48Å; W868-V872 HydrophobicContact CE3-CG2 4.42Å; W868-V872 HydrophobicContact CG-CG2 4.42Å; W868-V872 HydrophobicContact CH2-CG2 4.16Å; W868-V872 HydrophobicContact CZ2-CG2 3.64Å; W868-V872 WeakPolarHBondContact O-CG2 3.26Å; W868-V872 PolarHBondContact O-N 2.82Å; G869-V872 PolarHBondContact O-N 3.37Å; V872-V874 VanDerWaalsContact C-N 3.34Å; V872-V874 PolarHBondContact O-N 2.82Å; V872-D875 PolarHBondContact O-N 3.09Å; V872-A876 WeakPolarHBondContact O-CB 3.26Å; V872-A876 PolarHBondContact O-N 3.23Å
873M93.4Very high91.2Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-62.3-41.4176.1-170.4-159.489.100112.1I788 C814 L817 M818 G869 T871 A876 A877 L890 C893 I897I788-M873 HydrophobicContact CD1-CE 4.25Å; C814-M873 HydrophobicContact CB-CE 3.86Å; L817-M873 HydrophobicContact CD2-CE 4.37Å; L817-M873 HydrophobicContact CD2-SD 3.45Å; L817-M873 WeakPolarHBondContact CD2-SD 3.32Å; L817-M873 HydrophobicContact CG-SD 4.23Å; M818-M873 HydrophobicContact CE-CE 3.26Å; M818-M873 HydrophobicContact CE-SD 3.58Å; M818-M873 VanDerWaalsContact CE-SD 3.58Å; M818-M873 HydrophobicContact CG-CE 4.18Å; M818-M873 HydrophobicContact SD-CE 4.4Å; G869-M873 WeakPolarHBondContact O-CB 3.15Å; G869-M873 PolarHBondContact O-N 2.89Å; T871-M873 VanDerWaalsContact C-N 3.34Å; T871-M873 PolarHBondContact O-N 2.74Å; M873-A876 PolarHBondContact O-N 3.08Å; M873-A877 WeakPolarHBondContact O-CB 3.37Å; M873-A877 PolarHBondContact O-N 3.2Å; M873-L890 HydrophobicContact CG-CD1 4.28Å; M873-C893 HydrophobicContact CB-CB 4.29Å; M873-C893 HydrophobicContact CG-CB 4.44Å; M873-I897 HydrophobicContact SD-CD1 4.42Å; M873-I897 HydrophobicContact SD-CG2 4.31Å
874V94.1Very high90.8Very high1 Ų141.8 Ų41.81%0.00622%0.22CC..Hα-helixtrans-68.2-39.8177.8169.50000111.9A784 R787 I788 M791 A870 T871 V872 A876 A877 D878A784-V874 HydrophobicContact CB-CB 4.48Å; A784-V874 HydrophobicContact CB-CG2 3.58Å; R787-V874 HydrophobicContact CB-CG1 3.79Å; I788-V874 HydrophobicContact CD1-CG2 3.69Å; I788-V874 HydrophobicContact CG1-CG1 4.36Å; I788-V874 HydrophobicContact CG1-CG2 3.7Å; M791-V874 HydrophobicContact CE-CG1 3.83Å; A870-V874 WeakPolarHBondContact O-CG2 3.34Å; A870-V874 PolarHBondContact O-N 3.44Å; T871-V874 PolarHBondContact O-N 3.43Å; V872-V874 VanDerWaalsContact C-N 3.34Å; V872-V874 PolarHBondContact O-N 2.82Å; V874-A876 VanDerWaalsContact C-N 3.34Å; V874-A877 PolarHBondContact O-N 3.47Å; V874-D878 WeakPolarHBondContact O-CB 3.36Å; V874-D878 PolarHBondContact O-N 3.22Å
875D92.8Very high90.5Very high64 Ų6437.9 Ų37.934%0.34221%0.208SC..Hα-helixtrans-63.9-40.5174.9-69.7-25.6000111.4R787 T871 V872 D878 M879R787-D875 IonicContact CZ-OD1 2.7Å; R787-D875 IonicContact NH1-OD1 2.64Å; R787-D875 PolarHBondContact NH1-OD1 2.87Å; R787-D875 IonicContact NH2-OD1 3.81Å; R787-D875 PolarHBondContact NH2-OD1 2.97Å; T871-D875 PolarHBondContact O-N 3.32Å; V872-D875 PolarHBondContact O-N 3.09Å; D875-D878 PolarHBondContact O-N 3.34Å; D875-M879 VanDerWaalsContact O-CG 3.29Å; D875-M879 WeakPolarHBondContact O-CG 3.27Å; D875-M879 PolarHBondContact O-N 3Å
876A93.1Very high90.3Very high4 Ų443.5 Ų43.53%0.03323%0.227CC..Hα-helixtrans-63.3-42173.600000112V872 M873 V874 M879 V880 E889 L890 C893V872-A876 WeakPolarHBondContact O-CB 3.26Å; V872-A876 PolarHBondContact O-N 3.23Å; M873-A876 PolarHBondContact O-N 3.08Å; V874-A876 VanDerWaalsContact C-N 3.34Å; A876-M879 PolarHBondContact O-N 3.42Å; A876-V880 WeakPolarHBondContact O-CG2 3.29Å; A876-V880 PolarHBondContact O-N 3.4Å; A876-E889 HydrophobicContact CB-CG 4.34Å; A876-L890 HydrophobicContact CB-CD1 4.32Å; A876-C893 HydrophobicContact CB-CB 4.4Å
877A93.1Very high90Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-63.3-41.5176.200000112M791 L811 M873 V874 V880 V881 L890M791-A877 HydrophobicContact CE-CB 4.43Å; L811-A877 HydrophobicContact CD2-CB 4.48Å; M873-A877 WeakPolarHBondContact O-CB 3.37Å; M873-A877 PolarHBondContact O-N 3.2Å; V874-A877 PolarHBondContact O-N 3.47Å; A877-V880 PolarHBondContact O-N 3.46Å; A877-V881 VanDerWaalsContact O-CG2 3.29Å; A877-V881 WeakPolarHBondContact O-CG2 3.48Å; A877-V881 PolarHBondContact O-N 3.42Å; A877-L890 HydrophobicContact CB-CD1 3.94Å; A877-L890 HydrophobicContact CB-CD2 4.49Å
878D92Very high89.9Confident38 Ų3848.2 Ų48.220%0.20325%0.247CC..Hα-helixtrans-60.2-46.8175.5-166.411.8000111.4R787 M791 V874 D875 V880 V881 Q882R787-D878 IonicContact NH2-OD2 2.78Å; M791-D878 HydrophobicContact CE-CB 4.44Å; M791-D878 WeakPolarHBondContact SD-CA 3.32Å; M791-D878 HydrophobicContact SD-CB 3.3Å; M791-D878 WeakPolarHBondContact SD-CB 3.41Å; M791-D878 VanDerWaalsContact SD-CG 3.52Å; V874-D878 WeakPolarHBondContact O-CB 3.36Å; V874-D878 PolarHBondContact O-N 3.22Å; D875-D878 PolarHBondContact O-N 3.34Å; D878-V880 VanDerWaalsContact C-N 3.35Å; D878-V880 PolarHBondContact O-N 2.96Å; D878-V881 PolarHBondContact O-N 3.42Å; D878-Q882 WeakPolarHBondContact O-CB 3.49Å; D878-Q882 VanDerWaalsContact O-CG 3.28Å; D878-Q882 WeakPolarHBondContact O-CG 3.37Å; D878-Q882 PolarHBondContact O-N 3.03Å; D878-Q882 PolarHBondContact OD1-NE2 3.3Å; D878-Q882 PolarHBondContact OD2-NE2 3.38Å
879M90.8Very high89.7Confident74 Ų7445.6 Ų45.637%0.36524%0.241SC..Hα-helixtrans-62.2-41.3178.2-71.4-65.5-71.400112.1D875 A876 Q882 G883 K884 G885D875-M879 VanDerWaalsContact O-CG 3.29Å; D875-M879 WeakPolarHBondContact O-CG 3.27Å; D875-M879 PolarHBondContact O-N 3Å; A876-M879 PolarHBondContact O-N 3.42Å; M879-Q882 PolarHBondContact O-N 3.42Å; M879-G883 PolarHBondContact O-N 2.89Å; M879-K884 HydrophobicContact CE-CB 3.63Å; M879-K884 PolarHBondContact O-N 2.85Å; M879-K884 HydrophobicContact SD-CB 4.33Å; M879-G885 VanDerWaalsContact C-N 3.34Å; M879-G885 PolarHBondContact O-N 3.31Å
880V89.8Confident89.7Confident6 Ų645.4 Ų45.44%0.03624%0.24CC..Hα-helixtrans-63.2-46175.5168.60000111.2I810 A876 A877 D878 Q882 G883 K886 F887 L890I810-V880 HydrophobicContact CD1-CG1 4.46Å; A876-V880 WeakPolarHBondContact O-CG2 3.29Å; A876-V880 PolarHBondContact O-N 3.4Å; A877-V880 PolarHBondContact O-N 3.46Å; D878-V880 VanDerWaalsContact C-N 3.35Å; D878-V880 PolarHBondContact O-N 2.96Å; V880-Q882 VanDerWaalsContact C-N 3.34Å; V880-Q882 PolarHBondContact O-N 3.07Å; V880-G883 PolarHBondContact O-N 3.05Å; V880-K886 WeakPolarHBondContact CG2-O 3.44Å; V880-F887 HydrophobicContact CG1-CD1 3.72Å; V880-F887 HydrophobicContact CG1-CE1 3.43Å; V880-F887 VanDerWaalsContact CG1-CE1 3.43Å; V880-F887 HydrophobicContact CG1-CG 4.49Å; V880-F887 HydrophobicContact CG1-CZ 3.99Å; V880-L890 HydrophobicContact CG2-CB 4.08Å; V880-L890 HydrophobicContact CG2-CD2 4.4Å
881V88.4Confident89.6Confident11 Ų1147.2 Ų47.27%0.06725%0.249CC..Hα-helixtrans-64.1-39.4179.3169.70000111.7N807 L811 A877 D878 G883N807-V881 HydrophobicContact CB-CG2 4.37Å; N807-V881 PolarHBondContact ND2-O 3.23Å; L811-V881 HydrophobicContact CD1-CG1 4.49Å; L811-V881 HydrophobicContact CD1-CG2 3.83Å; L811-V881 HydrophobicContact CD2-CG2 3.91Å; L811-V881 HydrophobicContact CG-CG2 3.83Å; A877-V881 VanDerWaalsContact O-CG2 3.29Å; A877-V881 WeakPolarHBondContact O-CG2 3.48Å; A877-V881 PolarHBondContact O-N 3.42Å; D878-V881 PolarHBondContact O-N 3.42Å; V881-G883 PolarHBondContact O-N 2.91Å
882Q85.6Confident89.4Confident86 Ų8649.1 Ų49.140%0.40226%0.26SS..THydrogen-bonded Turntrans-69.4-8.1173.8-69.2-17939.700113.8D878 M879 V880 K884D878-Q882 WeakPolarHBondContact O-CB 3.49Å; D878-Q882 VanDerWaalsContact O-CG 3.28Å; D878-Q882 WeakPolarHBondContact O-CG 3.37Å; D878-Q882 PolarHBondContact O-N 3.03Å; D878-Q882 PolarHBondContact OD1-NE2 3.3Å; D878-Q882 PolarHBondContact OD2-NE2 3.38Å; M879-Q882 PolarHBondContact O-N 3.42Å; V880-Q882 VanDerWaalsContact C-N 3.34Å; V880-Q882 PolarHBondContact O-N 3.07Å; Q882-K884 VanDerWaalsContact C-N 3.26Å; Q882-K884 HydrophobicContact CB-CD 4.43Å; Q882-K884 HydrophobicContact CB-CG 4.4Å; Q882-K884 PolarHBondContact O-N 2.9Å
883G82.7Confident89.3Confident57 Ų5747.9 Ų47.959%0.58825%0.253SS*.THydrogen-bonded Turntrans71.117.5-176.200000114.2M879 V880 V881M879-G883 PolarHBondContact O-N 2.89Å; V880-G883 PolarHBondContact O-N 3.05Å; V881-G883 PolarHBondContact O-N 2.91Å
884K84.4Confident89.2Confident146 Ų14647.9 Ų47.964%0.63525%0.253SS*.SBendtrans-105-17.2178.8-63.8175.5-170.8156.30112.9M879 Q882M879-K884 HydrophobicContact CE-CB 3.63Å; M879-K884 PolarHBondContact O-N 2.85Å; M879-K884 HydrophobicContact SD-CB 4.33Å; Q882-K884 VanDerWaalsContact C-N 3.26Å; Q882-K884 HydrophobicContact CB-CD 4.43Å; Q882-K884 HydrophobicContact CB-CG 4.4Å; Q882-K884 PolarHBondContact O-N 2.9Å
885G82.7Confident88.9Confident16 Ų1653.1 Ų53.117%0.16528%0.277CS..SBendtrans-100.1164.6-179.300000112.7M879M879-G885 VanDerWaalsContact C-N 3.34Å; M879-G885 PolarHBondContact O-N 3.31Å
886K87.1Confident88.7Confident146 Ų14654.2 Ų54.264%0.63528%0.28SS*.  trans-96.8139177.5-65.3179.1-178.8176.60110.5V880 E888 E889 L890V880-K886 WeakPolarHBondContact CG2-O 3.44Å; K886-E888 PolarHBondContact O-N 3.3Å; K886-E889 HydrophobicContact CB-CB 4.29Å; K886-E889 WeakPolarHBondContact O-CB 3.3Å; K886-E889 PolarHBondContact O-N 3.28Å; K886-L890 PolarHBondContact O-N 3.27Å
887F87.8Confident88.7Confident29 Ų2954 Ų5413%0.12728%0.279CS..Hα-helixtrans-59.3-31.7174-69.7-80.8000111.8I810 V880 E889 L890 M891 T940 K944 I947I810-F887 HydrophobicContact CD1-CD1 4.17Å; I810-F887 HydrophobicContact CD1-CE1 3.73Å; V880-F887 HydrophobicContact CG1-CD1 3.72Å; V880-F887 HydrophobicContact CG1-CE1 3.43Å; V880-F887 VanDerWaalsContact CG1-CE1 3.43Å; V880-F887 HydrophobicContact CG1-CG 4.49Å; V880-F887 HydrophobicContact CG1-CZ 3.99Å; F887-E889 VanDerWaalsContact C-N 3.34Å; F887-E889 PolarHBondContact O-N 3.4Å; F887-L890 PolarHBondContact O-N 2.59Å; F887-M891 WeakPolarHBondContact O-CG 3.47Å; F887-M891 PolarHBondContact O-N 3.22Å; F887-M891 VanDerWaalsContact O-N 3.15Å; F887-T940 HydrophobicContact CB-CG2 3.84Å; F887-T940 HydrophobicContact CD1-CG2 3.85Å; F887-T940 HydrophobicContact CG-CG2 4.35Å; F887-T940 WeakPolarHBondContact O-CG2 3.49Å; F887-K944 HydrophobicContact CB-CB 4.09Å; F887-K944 HydrophobicContact CB-CD 4.28Å; F887-K944 HydrophobicContact CB-CG 4.32Å; F887-K944 HydrophobicContact CD1-CB 4.33Å; F887-K944 HydrophobicContact CD2-CB 3.97Å; F887-K944 HydrophobicContact CD2-CG 4.01Å; F887-K944 HydrophobicContact CG-CB 3.86Å; F887-K944 HydrophobicContact CG-CG 4.26Å; F887-I947 HydrophobicContact CE2-CD1 4.44Å; F887-I947 HydrophobicContact CZ-CD1 3.69Å
888E88.7Confident88.5Confident77 Ų7754.9 Ų54.936%0.3629%0.286SS..Hα-helixtrans-63.6-37174.9-66.671.1-157.400113.3K886 M891 V892 K944K886-E888 PolarHBondContact O-N 3.3Å; E888-M891 HydrophobicContact CB-CE 4.3Å; E888-M891 HydrophobicContact CG-CE 4.01Å; E888-M891 PolarHBondContact O-N 3.4Å; E888-V892 WeakPolarHBondContact O-CG2 3.41Å; E888-V892 PolarHBondContact O-N 2.97Å; E888-K944 WeakPolarHBondContact OE1-CD 3.45Å; E888-K944 WeakPolarHBondContact OE1-CE 3.37Å; E888-K944 IonicContact OE1-NZ 3.49Å; E888-K944 PolarHBondContact OE1-NZ 2.85Å
889E88.6Confident88.3Confident100 Ų10055.2 Ų55.247%0.46729%0.294SS..Hα-helixtrans-64.5-45.4179.7-172.2172.5-169.400110.2A876 K886 F887 M891 V892 C893A876-E889 HydrophobicContact CB-CG 4.34Å; K886-E889 HydrophobicContact CB-CB 4.29Å; K886-E889 WeakPolarHBondContact O-CB 3.3Å; K886-E889 PolarHBondContact O-N 3.28Å; F887-E889 VanDerWaalsContact C-N 3.34Å; F887-E889 PolarHBondContact O-N 3.4Å; E889-M891 VanDerWaalsContact C-N 3.32Å; E889-M891 PolarHBondContact O-N 3.35Å; E889-V892 PolarHBondContact O-N 2.99Å; E889-C893 PolarHBondContact O-N 3.03Å; E889-C893 PolarHBondContact O-SG 3.26Å
890L92.2Very high88.3Confident0 Ų051.8 Ų51.80%028%0.277CS..Hα-helixtrans-61.6-38.5174.6-178.958.2000112.5I810 M873 A876 A877 V880 K886 F887 S894 T940I810-L890 HydrophobicContact CG2-CD2 3.52Å; M873-L890 HydrophobicContact CG-CD1 4.28Å; A876-L890 HydrophobicContact CB-CD1 4.32Å; A877-L890 HydrophobicContact CB-CD1 3.94Å; A877-L890 HydrophobicContact CB-CD2 4.49Å; V880-L890 HydrophobicContact CG2-CB 4.08Å; V880-L890 HydrophobicContact CG2-CD2 4.4Å; K886-L890 PolarHBondContact O-N 3.27Å; F887-L890 PolarHBondContact O-N 2.59Å; L890-S894 WeakPolarHBondContact O-CB 3.34Å; L890-S894 PolarHBondContact O-N 3.15Å; L890-S894 PolarHBondContact O-OG 2.89Å; L890-T940 HydrophobicContact CB-CG2 4.27Å; L890-T940 HydrophobicContact CD2-CG2 4.1Å; L890-T940 HydrophobicContact CG-CG2 4.35Å
891M90Very high88.4Confident38 Ų3851.6 Ų51.619%0.18728%0.276CS..Hα-helixtrans-63.8-43.4175-70.1-172.4-71.400112F887 E888 E889 S894 H895 V937 T940 K941F887-M891 WeakPolarHBondContact O-CG 3.47Å; F887-M891 PolarHBondContact O-N 3.22Å; F887-M891 VanDerWaalsContact O-N 3.15Å; E888-M891 HydrophobicContact CB-CE 4.3Å; E888-M891 HydrophobicContact CG-CE 4.01Å; E888-M891 PolarHBondContact O-N 3.4Å; E889-M891 VanDerWaalsContact C-N 3.32Å; E889-M891 PolarHBondContact O-N 3.35Å; M891-S894 PolarHBondContact O-N 3.29Å; M891-H895 PolarHBondContact O-CD2 2.97Å; M891-H895 VanDerWaalsContact O-CD2 3.25Å; M891-H895 PolarHBondContact O-N 3.22Å; M891-H895 VanDerWaalsContact O-N 3.14Å; M891-V937 HydrophobicContact CB-CG2 4.47Å; M891-V937 HydrophobicContact CG-CG1 4.22Å; M891-V937 HydrophobicContact CG-CG2 4.43Å; M891-V937 HydrophobicContact SD-CG1 4.01Å; M891-T940 HydrophobicContact CG-CG2 3.74Å; M891-K941 HydrophobicContact SD-CB 4.49Å
892V87.6Confident88.5Confident96 Ų9653.5 Ų53.558%0.58229%0.293SS*.Hα-helixtrans-66.1-46.7179172.80000111E888 E889 S894 H895 E896E888-V892 WeakPolarHBondContact O-CG2 3.41Å; E888-V892 PolarHBondContact O-N 2.97Å; E889-V892 PolarHBondContact O-N 2.99Å; V892-S894 PolarHBondContact O-N 3.3Å; V892-H895 PolarHBondContact O-N 2.9Å; V892-H895 VanDerWaalsContact O-N 3.1Å; V892-E896 PolarHBondContact O-N 3.44Å
893C90.4Very high88.6Confident17 Ų1754.6 Ų54.612%0.11530%0.298CS..Hα-helixtrans-59.9-36.7176.7-62.90000112.1M873 A876 E889 H895 E896 I897M873-C893 HydrophobicContact CB-CB 4.29Å; M873-C893 HydrophobicContact CG-CB 4.44Å; A876-C893 HydrophobicContact CB-CB 4.4Å; E889-C893 PolarHBondContact O-N 3.03Å; E889-C893 PolarHBondContact O-SG 3.26Å; C893-H895 VanDerWaalsContact C-N 3.34Å; C893-H895 PolarHBondContact O-N 3.26Å; C893-E896 PolarHBondContact O-N 3.18Å; C893-I897 WeakPolarHBondContact O-CG2 3.42Å; C893-I897 PolarHBondContact O-N 3.42Å; C893-I897 VanDerWaalsContact O-N 3.08Å
894S91.1Very high89.1Confident0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-67.3-32.6176.5-58.40000113L890 M891 V892 I897 T933 V936L890-S894 WeakPolarHBondContact O-CB 3.34Å; L890-S894 PolarHBondContact O-N 3.15Å; L890-S894 PolarHBondContact O-OG 2.89Å; M891-S894 PolarHBondContact O-N 3.29Å; V892-S894 PolarHBondContact O-N 3.3Å; S894-I897 VanDerWaalsContact O-CG2 3.3Å; S894-I897 WeakPolarHBondContact O-CG2 3.33Å; S894-T933 WeakPolarHBondContact O-CG2 3.31Å; S894-T933 PolarHBondContact O-OG1 3.32Å; S894-V936 VanDerWaalsContact OG-CG1 3.26Å; S894-V936 WeakPolarHBondContact OG-CG1 3.22Å
895H88.4Confident89.5Confident111 Ų11145.8 Ų45.851%0.51425%0.245SC..Hα-helixtrans-75.8-39.7173.1-80.3-59.5000112.5M891 V892 C893 A898 A899M891-H895 PolarHBondContact O-CD2 2.97Å; M891-H895 VanDerWaalsContact O-CD2 3.25Å; M891-H895 PolarHBondContact O-N 3.22Å; M891-H895 VanDerWaalsContact O-N 3.14Å; V892-H895 PolarHBondContact O-N 2.9Å; V892-H895 VanDerWaalsContact O-N 3.1Å; C893-H895 VanDerWaalsContact C-N 3.34Å; C893-H895 PolarHBondContact O-N 3.26Å; H895-A898 WeakPolarHBondContact O-CB 3.49Å; H895-A898 PolarHBondContact O-N 3.03Å; H895-A899 PolarHBondContact O-N 3.17Å
896E89.3Confident89.8Confident86 Ų8647.8 Ų47.840%0.40226%0.26SS..Hα-helixtrans-62.7-46.9-179.7-171.960.9-161.300111.5W868 V892 C893 A898 A899 S900W868-E896 HydrophobicContact CZ3-CG 4.37Å; V892-E896 PolarHBondContact O-N 3.44Å; C893-E896 PolarHBondContact O-N 3.18Å; E896-A898 VanDerWaalsContact C-N 3.29Å; E896-A898 PolarHBondContact O-N 2.79Å; E896-A899 WeakPolarHBondContact O-CB 3.21Å; E896-A899 PolarHBondContact O-N 2.86Å; E896-A899 VanDerWaalsContact O-N 3.07Å; E896-S900 PolarHBondContact O-N 3.47Å; E896-S900 PolarHBondContact O-OG 3.37Å
897I91.2Very high89.7Confident0 Ų041.7 Ų41.70%024%0.237CC..Hα-helixtrans-62.9-35.9177.4-164.1174000112.2L817 M818 I821 A870 M873 C893 S894 A899 S900 T901L817-I897 HydrophobicContact CD2-CG2 4.35Å; M818-I897 HydrophobicContact CE-CD1 3.53Å; I821-I897 HydrophobicContact CD1-CD1 3.34Å; I821-I897 HydrophobicContact CD1-CG1 3.79Å; I821-I897 HydrophobicContact CD1-CG2 4.5Å; A870-I897 HydrophobicContact CB-CD1 3.93Å; A870-I897 VanDerWaalsContact N-CD1 3.31Å; M873-I897 HydrophobicContact SD-CD1 4.42Å; M873-I897 HydrophobicContact SD-CG2 4.31Å; C893-I897 WeakPolarHBondContact O-CG2 3.42Å; C893-I897 PolarHBondContact O-N 3.42Å; C893-I897 VanDerWaalsContact O-N 3.08Å; S894-I897 VanDerWaalsContact O-CG2 3.3Å; S894-I897 WeakPolarHBondContact O-CG2 3.33Å; I897-A899 VanDerWaalsContact C-N 3.35Å; I897-S900 PolarHBondContact O-N 3.14Å; I897-T901 WeakPolarHBondContact O-CG2 3.29Å; I897-T901 PolarHBondContact O-N 3.1Å; I897-T901 PolarHBondContact O-OG1 3.39Å
898A90.1Very high89.7Confident18 Ų1840.3 Ų40.315%0.14923%0.231CC..Hα-helixtrans-63.9-41.1173.700000111.4H895 E896 T901 A902 T933H895-A898 WeakPolarHBondContact O-CB 3.49Å; H895-A898 PolarHBondContact O-N 3.03Å; E896-A898 VanDerWaalsContact C-N 3.29Å; E896-A898 PolarHBondContact O-N 2.79Å; A898-T901 PolarHBondContact O-N 3.19Å; A898-T901 PolarHBondContact O-OG1 3.19Å; A898-A902 PolarHBondContact O-N 3.27Å; A898-T933 HydrophobicContact CB-CG2 4.09Å
899A86.7Confident89.7Confident45 Ų4541.9 Ų41.937%0.37224%0.237SC..Hα-helixtrans-63-44.9174.500000111.9H895 E896 I897 T901 A902 Q903H895-A899 PolarHBondContact O-N 3.17Å; E896-A899 WeakPolarHBondContact O-CB 3.21Å; E896-A899 PolarHBondContact O-N 2.86Å; E896-A899 VanDerWaalsContact O-N 3.07Å; I897-A899 VanDerWaalsContact C-N 3.35Å; A899-T901 VanDerWaalsContact C-N 3.33Å; A899-T901 PolarHBondContact O-N 3.38Å; A899-A902 WeakPolarHBondContact O-CB 3.29Å; A899-A902 PolarHBondContact O-N 3.01Å; A899-A902 VanDerWaalsContact O-N 3.14Å; A899-Q903 WeakPolarHBondContact O-CG 3.25Å; A899-Q903 PolarHBondContact O-N 2.77Å
900S92Very high89.4Confident3 Ų342 Ų422%0.02124%0.244CC..Hα-helixtrans-60.9-40175.3-49.90000112V866 E896 I897 A902 Q903 L904V866-S900 VanDerWaalsContact CG2-C 3.49Å; V866-S900 WeakPolarHBondContact CG2-O 3.42Å; E896-S900 PolarHBondContact O-N 3.47Å; E896-S900 PolarHBondContact O-OG 3.37Å; I897-S900 PolarHBondContact O-N 3.14Å; S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.2Å; S900-Q903 WeakPolarHBondContact O-CB 3.35Å; S900-Q903 PolarHBondContact O-N 2.9Å; S900-L904 PolarHBondContact O-N 3.44Å
901T92.4Very high88.9Confident2 Ų246.5 Ų46.51%0.01226%0.263CS..Hα-helixtrans-67.1-33.7175.162.30000113I821 L824 V866 I897 A898 A899 L904 V905 V929I821-T901 HydrophobicContact CG1-CG2 4.13Å; I821-T901 HydrophobicContact CG2-CG2 4.26Å; L824-T901 HydrophobicContact CD1-CG2 4.47Å; L824-T901 HydrophobicContact CD2-CG2 4.41Å; V866-T901 HydrophobicContact CG1-CG2 4.04Å; V866-T901 HydrophobicContact CG2-CG2 3.99Å; I897-T901 WeakPolarHBondContact O-CG2 3.29Å; I897-T901 PolarHBondContact O-N 3.1Å; I897-T901 PolarHBondContact O-OG1 3.39Å; A898-T901 PolarHBondContact O-N 3.19Å; A898-T901 PolarHBondContact O-OG1 3.19Å; A899-T901 VanDerWaalsContact C-N 3.33Å; A899-T901 PolarHBondContact O-N 3.38Å; T901-L904 PolarHBondContact O-N 2.81Å; T901-V905 VanDerWaalsContact O-CG2 3.26Å; T901-V905 WeakPolarHBondContact O-CG2 3.42Å; T901-V905 PolarHBondContact O-N 2.8Å; T901-V929 HydrophobicContact CG2-CG1 4.18Å
902A89.6Confident88.5Confident51 Ų5145.5 Ų45.542%0.42126%0.261SS..Hα-helixtrans-67.3-39174.200000111.8A898 A899 S900 V905 A906A898-A902 PolarHBondContact O-N 3.27Å; A899-A902 WeakPolarHBondContact O-CB 3.29Å; A899-A902 PolarHBondContact O-N 3.01Å; A899-A902 VanDerWaalsContact O-N 3.14Å; S900-A902 VanDerWaalsContact C-N 3.34Å; S900-A902 PolarHBondContact O-N 3.2Å; A902-V905 PolarHBondContact O-N 2.81Å; A902-A906 WeakPolarHBondContact O-CB 3.4Å; A902-A906 PolarHBondContact O-N 3.44Å
903Q88.4Confident88.2Confident108 Ų10845.9 Ų45.951%0.50526%0.26SS..Hα-helixtrans-60.8-43.5172.4-70.7173.9-8.600111.5A862 A899 S900 V905 A906 A907A862-Q903 HydrophobicContact CB-CB 4.4Å; A899-Q903 WeakPolarHBondContact O-CG 3.25Å; A899-Q903 PolarHBondContact O-N 2.77Å; S900-Q903 WeakPolarHBondContact O-CB 3.35Å; S900-Q903 PolarHBondContact O-N 2.9Å; Q903-V905 VanDerWaalsContact C-N 3.34Å; Q903-V905 PolarHBondContact O-N 2.83Å; Q903-A906 PolarHBondContact O-N 3.27Å; Q903-A907 WeakPolarHBondContact O-CB 3.43Å; Q903-A907 PolarHBondContact O-N 2.94Å
904L92.1Very high87.8Confident0 Ų053.7 Ų53.70%029%0.292CS..Hα-helixtrans-61.9-40176.6-175.958.5000112.5M774 L824 I825 L859 A862 V866 S900 T901 S908M774-L904 HydrophobicContact CE-CD1 3.94Å; L824-L904 HydrophobicContact CD2-CD2 3.93Å; I825-L904 HydrophobicContact CG1-CD2 4.49Å; L859-L904 HydrophobicContact CD1-CD1 4.1Å; A862-L904 HydrophobicContact CB-CB 4.19Å; A862-L904 HydrophobicContact CB-CD1 4.06Å; V866-L904 HydrophobicContact CG2-CB 4.18Å; V866-L904 HydrophobicContact CG2-CD2 4.07Å; S900-L904 PolarHBondContact O-N 3.44Å; T901-L904 PolarHBondContact O-N 2.81Å; L904-S908 VanDerWaalsContact O-CB 3.29Å; L904-S908 WeakPolarHBondContact O-CB 3.47Å; L904-S908 PolarHBondContact O-N 2.93Å; L904-S908 PolarHBondContact O-OG 3Å
905V92.8Very high87.3Confident18 Ų1860.5 Ų60.511%0.10933%0.328CS..Hα-helixtrans-65.6-42.8175.1173.50000111.1L824 T901 A902 Q903 S908 K909 L922L824-V905 HydrophobicContact CD1-CG2 3.95Å; L824-V905 HydrophobicContact CD2-CG2 4.45Å; L824-V905 HydrophobicContact CG-CG2 4.37Å; T901-V905 VanDerWaalsContact O-CG2 3.26Å; T901-V905 WeakPolarHBondContact O-CG2 3.42Å; T901-V905 PolarHBondContact O-N 2.8Å; A902-V905 PolarHBondContact O-N 2.81Å; Q903-V905 VanDerWaalsContact C-N 3.34Å; Q903-V905 PolarHBondContact O-N 2.83Å; V905-S908 PolarHBondContact O-N 2.85Å; V905-K909 WeakPolarHBondContact O-CB 3.47Å; V905-K909 PolarHBondContact O-N 3Å; V905-L922 HydrophobicContact CG1-CD2 4.46Å; V905-L922 HydrophobicContact CG1-CG 4.41Å; V905-L922 HydrophobicContact CG2-CD1 4.08Å; V905-L922 HydrophobicContact CG2-CG 4.15Å
906A88.5Confident87.3Confident59 Ų5956 Ų5649%0.48831%0.31SS..Hα-helixtrans-61.5-49.4176.900000111.1A902 Q903 S908 K909 V910A902-A906 WeakPolarHBondContact O-CB 3.4Å; A902-A906 PolarHBondContact O-N 3.44Å; Q903-A906 PolarHBondContact O-N 3.27Å; A906-S908 VanDerWaalsContact C-N 3.32Å; A906-S908 PolarHBondContact O-N 3.06Å; A906-K909 PolarHBondContact O-N 3.49Å; A906-V910 WeakPolarHBondContact O-CG2 3.3Å
907A86.1Confident87.3Confident17 Ų1755.7 Ų55.714%0.1432%0.321CS..Hα-helixtrans-59.2-42176.200000112W855 L859 A862 Q903 K909W855-A907 PolarHBondContact NE1-O 3.49Å; L859-A907 HydrophobicContact CD1-CB 4.16Å; A862-A907 HydrophobicContact CB-CB 4.31Å; Q903-A907 WeakPolarHBondContact O-CB 3.43Å; Q903-A907 PolarHBondContact O-N 2.94Å; A907-K909 VanDerWaalsContact C-N 3.31Å; A907-K909 PolarHBondContact O-N 3.39Å
908S87.8Confident87.2Confident0 Ų056.7 Ų56.70%033%0.327CS..Hα-helixtrans-68.4-25.7179.1-58.40000113.5S828 I835 L904 V905 A906S828-S908 PolarHBondContact OG-OG 3.45Å; I835-S908 WeakPolarHBondContact CD1-O 3.49Å; L904-S908 VanDerWaalsContact O-CB 3.29Å; L904-S908 WeakPolarHBondContact O-CB 3.47Å; L904-S908 PolarHBondContact O-N 2.93Å; L904-S908 PolarHBondContact O-OG 3Å; V905-S908 PolarHBondContact O-N 2.85Å; A906-S908 VanDerWaalsContact C-N 3.32Å; A906-S908 PolarHBondContact O-N 3.06Å
909K87.8Confident87.2Confident111 Ų11156.1 Ų56.148%0.48332%0.321SS..Hα-helixtrans-80.6-26.1-176.4-176.7178.4177.2-173.40114V905 A906 A907 K911 A912 L919V905-K909 WeakPolarHBondContact O-CB 3.47Å; V905-K909 PolarHBondContact O-N 3Å; A906-K909 PolarHBondContact O-N 3.49Å; A907-K909 VanDerWaalsContact C-N 3.31Å; A907-K909 PolarHBondContact O-N 3.39Å; K909-K911 PolarHBondContact O-N 2.89Å; K909-K911 VanDerWaalsContact O-N 3.08Å; K909-A912 WeakPolarHBondContact O-CB 3.47Å; K909-A912 PolarHBondContact O-N 3.39Å; K909-L919 HydrophobicContact CB-CD1 4.2Å; K909-L919 HydrophobicContact CG-CD1 4.01Å; K909-L919 HydrophobicContact CG-CD2 4.5Å
910V84.1Confident87.3Confident102 Ų10259.3 Ų59.362%0.61833%0.328SS*.THydrogen-bonded Turntrans-54-35.6-170176.40000113.5A906A906-V910 WeakPolarHBondContact O-CG2 3.3Å
911K81.3Confident87.4Confident94 Ų9465.6 Ų65.641%0.40935%0.351SS..THydrogen-bonded Turntrans-112.26.7-177.9-63.5-73.5178.2155.90113.3I835 N852 W855 K909I835-K911 HydrophobicContact CD1-CB 4.5Å; I835-K911 HydrophobicContact CG2-CB 3.75Å; N852-K911 WeakPolarHBondContact OD1-CE 3.47Å; N852-K911 PolarHBondContact OD1-NZ 2.94Å; W855-K911 HydrophobicContact CD2-CG 3.82Å; W855-K911 HydrophobicContact CE3-CG 4.35Å; W855-K911 HydrophobicContact CG-CG 4.06Å; W855-K911 HydrophobicContact CZ2-CB 4.06Å; W855-K911 HydrophobicContact CZ2-CG 4.21Å; K909-K911 PolarHBondContact O-N 2.89Å; K909-K911 VanDerWaalsContact O-N 3.08Å
912A81.9Confident87.4Confident17 Ų1765.5 Ų65.514%0.1435%0.351CS..SBendtrans-80.5142.1-18000000111.9L831 I835 K909 L919L831-A912 HydrophobicContact CD1-CB 3.99Å; L831-A912 HydrophobicContact CD2-CB 4.17Å; L831-A912 HydrophobicContact CG-CB 4.4Å; I835-A912 HydrophobicContact CD1-CB 3.98Å; I835-A912 HydrophobicContact CG1-CB 4.29Å; K909-A912 WeakPolarHBondContact O-CB 3.47Å; K909-A912 PolarHBondContact O-N 3.39Å; A912-L919 HydrophobicContact CB-CD1 4.21Å; A912-L919 HydrophobicContact CB-CD2 4.11Å
913D81.1Confident87.5Confident105 Ų10565.7 Ų65.756%0.56134%0.343SS*.  trans-63.4137.8165.3-163.9-27.3000109.8D915 S916 L919D913-D915 PolarHBondContact O-N 3.29Å; D913-D915 PolarHBondContact OD1-N 2.98Å; D913-D915 VanDerWaalsContact OD1-N 3.13Å; D913-S916 WeakPolarHBondContact O-CB 3.39Å; D913-S916 PolarHBondContact O-N 3.18Å; D913-L919 WeakPolarHBondContact O-CD2 3.42Å
914K80.4Confident87.6Confident180 Ų18067.5 Ų67.578%0.78335%0.351SS*.THydrogen-bonded Turntrans-63.1-28.3179.5-68.3-179.9-178.3175.30112
915D82Confident87.7Confident144 Ų14468 Ų6877%0.7736%0.356SS*.THydrogen-bonded Turntrans-96.89.8-179.3-62-32.2000113D913 A917D913-D915 PolarHBondContact O-N 3.29Å; D913-D915 PolarHBondContact OD1-N 2.98Å; D913-D915 VanDerWaalsContact OD1-N 3.13Å; D915-A917 PolarHBondContact O-N 2.96Å
916S87.1Confident87.7Confident17 Ų1768.2 Ų68.212%0.11936%0.358CS..  trans-66.9126.8179.1172.20000112.3D913 N918 L919 H920D913-S916 WeakPolarHBondContact O-CB 3.39Å; D913-S916 PolarHBondContact O-N 3.18Å; S916-N918 VanDerWaalsContact C-N 3.27Å; S916-N918 PolarHBondContact O-N 3.43Å; S916-N918 PolarHBondContact OG-N 3.45Å; S916-L919 WeakPolarHBondContact O-CB 3.44Å; S916-L919 PolarHBondContact O-N 3.5Å; S916-L919 PolarHBondContact OG-N 3.26Å; S916-H920 PolarHBondContact O-N 2.96Å
917A89.3Confident87.8Confident78 Ų7874.3 Ų74.365%0.64537%0.368SS*.Hα-helixtrans-62.3-34.8173.600000112.4D915 L919 H920 R921D915-A917 PolarHBondContact O-N 2.96Å; A917-L919 VanDerWaalsContact C-N 3.35Å; A917-H920 PolarHBondContact O-N 3.19Å; A917-R921 PolarHBondContact O-N 3.06Å
918N90.3Very high88.2Confident22 Ų2274.8 Ų74.812%0.11838%0.375CS..Hα-helixtrans-72.2-29176.9-76.7-29.1000111.9L831 D834 S916 R921 L922L831-N918 HydrophobicContact CB-CB 4.22Å; L831-N918 HydrophobicContact CD1-CB 4.17Å; D834-N918 PolarHBondContact OD1-ND2 2.95Å; D834-N918 WeakPolarHBondContact OD2-CB 3.33Å; D834-N918 PolarHBondContact OD2-ND2 2.9Å; S916-N918 VanDerWaalsContact C-N 3.27Å; S916-N918 PolarHBondContact O-N 3.43Å; S916-N918 PolarHBondContact OG-N 3.45Å; N918-R921 PolarHBondContact O-N 2.89Å; N918-R921 PolarHBondContact OD1-NH1 3.37Å; N918-L922 WeakPolarHBondContact O-CB 3.42Å; N918-L922 PolarHBondContact O-N 3.41Å
919L89.8Confident88.5Confident6 Ų674.8 Ų74.83%0.03138%0.375CS..Hα-helixtrans-66.1-42170.4179.263000111.4L831 K909 A912 D913 S916 A917 L922 Q923L831-L919 HydrophobicContact CD1-CB 4.07Å; L831-L919 HydrophobicContact CD2-CB 4.31Å; L831-L919 HydrophobicContact CD2-CD1 3.87Å; K909-L919 HydrophobicContact CB-CD1 4.2Å; K909-L919 HydrophobicContact CG-CD1 4.01Å; K909-L919 HydrophobicContact CG-CD2 4.5Å; A912-L919 HydrophobicContact CB-CD1 4.21Å; A912-L919 HydrophobicContact CB-CD2 4.11Å; D913-L919 WeakPolarHBondContact O-CD2 3.42Å; S916-L919 WeakPolarHBondContact O-CB 3.44Å; S916-L919 PolarHBondContact O-N 3.5Å; S916-L919 PolarHBondContact OG-N 3.26Å; A917-L919 VanDerWaalsContact C-N 3.35Å; L919-L922 PolarHBondContact O-N 3.4Å; L919-Q923 VanDerWaalsContact O-CG 3.32Å; L919-Q923 WeakPolarHBondContact O-CG 3.4Å; L919-Q923 PolarHBondContact O-N 2.99Å
920H89.8Confident88.6Confident111 Ų11173.6 Ų73.651%0.51438%0.377SS..Hα-helixtrans-63.4-41.8174.3-81.4-58.7000112.6S916 A917 Q923 Q924S916-H920 PolarHBondContact O-N 2.96Å; A917-H920 PolarHBondContact O-N 3.19Å; H920-Q923 PolarHBondContact O-N 2.91Å; H920-Q924 PolarHBondContact O-N 2.81Å
921R92.5Very high89Confident136 Ų13675.5 Ų75.551%0.51338%0.379SS..Hα-helixtrans-61.9-44.1175.1-174.4-179.9-76.9151-4.5111.7A917 N918 Q923 Q924 A925A917-R921 PolarHBondContact O-N 3.06Å; N918-R921 PolarHBondContact O-N 2.89Å; N918-R921 PolarHBondContact OD1-NH1 3.37Å; R921-Q923 VanDerWaalsContact C-N 3.34Å; R921-Q923 PolarHBondContact O-N 3.49Å; R921-Q924 WeakPolarHBondContact O-CB 3.28Å; R921-Q924 PolarHBondContact O-N 3.18Å; R921-A925 PolarHBondContact O-N 3.2Å
922L93.6Very high89.6Confident0 Ų071.5 Ų71.50%036%0.364CS..Hα-helixtrans-60.5-41.4176179.661.7000112.2L824 L831 V905 N918 L919 Q924 A925 S926L824-L922 HydrophobicContact CD2-CD1 4.41Å; L824-L922 HydrophobicContact CG-CD1 3.99Å; L824-L922 WeakPolarHBondContact O-CD1 3.22Å; L831-L922 HydrophobicContact CD2-CD2 3.54Å; V905-L922 HydrophobicContact CG1-CD2 4.46Å; V905-L922 HydrophobicContact CG1-CG 4.41Å; V905-L922 HydrophobicContact CG2-CD1 4.08Å; V905-L922 HydrophobicContact CG2-CG 4.15Å; N918-L922 WeakPolarHBondContact O-CB 3.42Å; N918-L922 PolarHBondContact O-N 3.41Å; L919-L922 PolarHBondContact O-N 3.4Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; L922-A925 PolarHBondContact O-N 3.42Å; L922-S926 WeakPolarHBondContact O-CB 3.47Å; L922-S926 PolarHBondContact O-N 2.94Å
923Q90.6Very high90.2Very high55 Ų5570.9 Ų70.926%0.25736%0.358SS..Hα-helixtrans-65-37.6175.4-71.9172.24.700112.5L919 H920 R921 S926 R927L919-Q923 VanDerWaalsContact O-CG 3.32Å; L919-Q923 WeakPolarHBondContact O-CG 3.4Å; L919-Q923 PolarHBondContact O-N 2.99Å; H920-Q923 PolarHBondContact O-N 2.91Å; R921-Q923 VanDerWaalsContact C-N 3.34Å; R921-Q923 PolarHBondContact O-N 3.49Å; Q923-S926 PolarHBondContact O-N 2.95Å; Q923-R927 WeakPolarHBondContact O-CG 3.46Å; Q923-R927 PolarHBondContact O-N 3.19Å
924Q91.2Very high90.6Very high145 Ų14568.8 Ų68.868%0.67836%0.355SS*.Hα-helixtrans-65.8-45174.8-175.5177.6-2.200111.4H920 R921 L922 S926 R927 G928H920-Q924 PolarHBondContact O-N 2.81Å; R921-Q924 WeakPolarHBondContact O-CB 3.28Å; R921-Q924 PolarHBondContact O-N 3.18Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; Q924-S926 VanDerWaalsContact C-N 3.3Å; Q924-S926 PolarHBondContact O-N 3.47Å; Q924-R927 WeakPolarHBondContact O-CB 2.92Å; Q924-R927 PolarHBondContact O-N 2.61Å; Q924-G928 PolarHBondContact O-N 3.08Å
925A93.5Very high91.2Very high11 Ų1162.7 Ų62.79%0.09133%0.333CS..Hα-helixtrans-59.9-40.1175.600000111.8L824 R921 L922 R927 G928 V929L824-A925 HydrophobicContact CB-CB 3.96Å; L824-A925 HydrophobicContact CG-CB 4.48Å; R921-A925 PolarHBondContact O-N 3.2Å; L922-A925 PolarHBondContact O-N 3.42Å; A925-R927 PolarHBondContact O-N 3.03Å; A925-G928 WeakPolarHBondContact O-CA 3.16Å; A925-G928 PolarHBondContact O-N 3.3Å; A925-G928 VanDerWaalsContact O-N 3.08Å; A925-V929 PolarHBondContact O-N 3.41Å
926S93.2Very high91.7Very high22 Ų2255.8 Ų55.815%0.15430%0.297CS..Hα-helixtrans-60.6-39.4174.6-178.20000113.6L922 Q923 Q924 G928 V929 T930L922-S926 WeakPolarHBondContact O-CB 3.47Å; L922-S926 PolarHBondContact O-N 2.94Å; Q923-S926 PolarHBondContact O-N 2.95Å; Q924-S926 VanDerWaalsContact C-N 3.3Å; Q924-S926 PolarHBondContact O-N 3.47Å; S926-G928 VanDerWaalsContact C-N 3.34Å; S926-V929 PolarHBondContact O-N 3.15Å; S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 VanDerWaalsContact O-N 3.11Å; S926-T930 PolarHBondContact O-OG1 3.42Å
927R90.9Very high92Very high187 Ų18756.3 Ų56.371%0.70630%0.299SS*.Hα-helixtrans-65.7-39.2172.3-67.8176.1-172.6173.63.2111.5Q923 Q924 A925 T930 Q931Q923-R927 WeakPolarHBondContact O-CG 3.46Å; Q923-R927 PolarHBondContact O-N 3.19Å; Q924-R927 WeakPolarHBondContact O-CB 2.92Å; Q924-R927 PolarHBondContact O-N 2.61Å; A925-R927 PolarHBondContact O-N 3.03Å; R927-T930 PolarHBondContact O-N 3.09Å; R927-Q931 PolarHBondContact O-N 3.37Å
928G93.5Very high92.1Very high28 Ų2855.4 Ų55.429%0.28929%0.291SS..Hα-helixtrans-57.4-47.4173.800000112.5Q924 A925 S926 T930 Q931 A932Q924-G928 PolarHBondContact O-N 3.08Å; A925-G928 WeakPolarHBondContact O-CA 3.16Å; A925-G928 PolarHBondContact O-N 3.3Å; A925-G928 VanDerWaalsContact O-N 3.08Å; S926-G928 VanDerWaalsContact C-N 3.34Å; G928-T930 PolarHBondContact O-N 3.15Å; G928-Q931 PolarHBondContact O-N 3.48Å; G928-A932 WeakPolarHBondContact O-CB 3.43Å; G928-A932 PolarHBondContact O-N 2.86Å
929V95Very high92.1Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-59.1-46.1175.4174.70000111.3L817 A820 I821 L824 T901 A925 S926 Q931 A932 T933L817-V929 HydrophobicContact CD1-CG1 3.91Å; A820-V929 HydrophobicContact CB-CG2 3.9Å; I821-V929 HydrophobicContact CB-CG2 4.48Å; I821-V929 HydrophobicContact CG1-CG1 3.93Å; I821-V929 HydrophobicContact CG1-CG2 3.78Å; L824-V929 HydrophobicContact CB-CG2 4.24Å; L824-V929 HydrophobicContact CD1-CG2 3.87Å; T901-V929 HydrophobicContact CG2-CG1 4.18Å; A925-V929 PolarHBondContact O-N 3.41Å; S926-V929 PolarHBondContact O-N 3.15Å; V929-Q931 VanDerWaalsContact C-N 3.32Å; V929-Q931 PolarHBondContact O-N 3.21Å; V929-A932 PolarHBondContact O-N 3.31Å; V929-T933 WeakPolarHBondContact O-CB 3.47Å; V929-T933 PolarHBondContact O-N 3.5Å; V929-T933 PolarHBondContact O-OG1 3.39Å; V929-T933 VanDerWaalsContact O-OG1 3.11Å
930T89.8Confident92.2Very high86 Ų8654.8 Ų54.853%0.52829%0.289SS..Hα-helixtrans-60.4-41.7179.3-54.30000112S926 R927 G928 A934S926-T930 PolarHBondContact O-N 2.92Å; S926-T930 VanDerWaalsContact O-N 3.11Å; S926-T930 PolarHBondContact O-OG1 3.42Å; R927-T930 PolarHBondContact O-N 3.09Å; G928-T930 PolarHBondContact O-N 3.15Å; T930-A934 PolarHBondContact O-N 3.09Å; T930-A934 VanDerWaalsContact O-N 3.09Å
931Q92.1Very high92.1Very high141 Ų14156.4 Ų56.466%0.65930%0.295SS*.Hα-helixtrans-68.4-42.3177.9-177177.2-4.800112.3R927 G928 V929 A934 T935R927-Q931 PolarHBondContact O-N 3.37Å; G928-Q931 PolarHBondContact O-N 3.48Å; V929-Q931 VanDerWaalsContact C-N 3.32Å; V929-Q931 PolarHBondContact O-N 3.21Å; Q931-A934 PolarHBondContact O-N 3.33Å; Q931-T935 PolarHBondContact O-N 3.01Å; Q931-T935 PolarHBondContact O-OG1 2.93Å
932A94.9Very high91.8Very high10 Ų1052.3 Ų52.38%0.08329%0.287CS..Hα-helixtrans-65.1-41.1176.600000111.3L817 A820 G928 V929 A934 T935 V936L817-A932 HydrophobicContact CB-CB 3.94Å; L817-A932 HydrophobicContact CD1-CB 3.9Å; A820-A932 HydrophobicContact CB-CB 4.38Å; G928-A932 WeakPolarHBondContact O-CB 3.43Å; G928-A932 PolarHBondContact O-N 2.86Å; V929-A932 PolarHBondContact O-N 3.31Å; A932-A934 PolarHBondContact O-N 2.96Å; A932-T935 WeakPolarHBondContact O-CA 3.4Å; A932-T935 WeakPolarHBondContact O-CB 3.35Å; A932-T935 PolarHBondContact O-N 3.02Å; A932-T935 VanDerWaalsContact O-N 3.08Å; A932-V936 WeakPolarHBondContact O-CG2 3.49Å; A932-V936 PolarHBondContact O-N 2.88Å
933T93.4Very high91.4Very high5 Ų552.3 Ų52.33%0.03129%0.287CS..Hα-helixtrans-57.4-45.8172.4-67.20000111.9L817 S894 A898 V929 T935 V936 V937L817-T933 WeakPolarHBondContact CD1-OG1 3.24Å; S894-T933 WeakPolarHBondContact O-CG2 3.31Å; S894-T933 PolarHBondContact O-OG1 3.32Å; A898-T933 HydrophobicContact CB-CG2 4.09Å; V929-T933 WeakPolarHBondContact O-CB 3.47Å; V929-T933 PolarHBondContact O-N 3.5Å; V929-T933 PolarHBondContact O-OG1 3.39Å; V929-T933 VanDerWaalsContact O-OG1 3.11Å; T933-T935 PolarHBondContact O-N 2.94Å; T933-V936 PolarHBondContact O-N 3.3Å; T933-V937 WeakPolarHBondContact O-CG2 3.34Å; T933-V937 PolarHBondContact O-N 3.05Å
934A90Very high91.1Very high60 Ų6052.3 Ų52.350%0.49629%0.286SS..Hα-helixtrans-61.2-36.5176.700000112T930 Q931 A932 V937 A938T930-A934 PolarHBondContact O-N 3.09Å; T930-A934 VanDerWaalsContact O-N 3.09Å; Q931-A934 PolarHBondContact O-N 3.33Å; A932-A934 PolarHBondContact O-N 2.96Å; A934-V937 PolarHBondContact O-N 2.81Å; A934-A938 VanDerWaalsContact O-CB 3.32Å; A934-A938 WeakPolarHBondContact O-CB 3.37Å; A934-A938 PolarHBondContact O-N 3.46Å
935T93.3Very high90.7Very high52 Ų5248 Ų4832%0.31927%0.272SS..Hα-helixtrans-68.6-39.5177.5-54.10000111.9Q931 A932 T933 A938 S939Q931-T935 PolarHBondContact O-N 3.01Å; Q931-T935 PolarHBondContact O-OG1 2.93Å; A932-T935 WeakPolarHBondContact O-CA 3.4Å; A932-T935 WeakPolarHBondContact O-CB 3.35Å; A932-T935 PolarHBondContact O-N 3.02Å; A932-T935 VanDerWaalsContact O-N 3.08Å; T933-T935 PolarHBondContact O-N 2.94Å; T935-A938 PolarHBondContact O-N 3.38Å; T935-S939 VanDerWaalsContact O-CB 3.31Å; T935-S939 WeakPolarHBondContact O-CB 3.38Å; T935-S939 PolarHBondContact O-N 3.01Å; T935-S939 PolarHBondContact O-OG 2.95Å
936V93.1Very high90Very high0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-62.3-48.1172.9176.20000110.8S813 L817 S894 A932 T933 A938 S939 T940S813-V936 VanDerWaalsContact C-CG2 3.42Å; S813-V936 VanDerWaalsContact O-CG2 3.27Å; S813-V936 WeakPolarHBondContact O-CG2 3.39Å; S813-V936 WeakPolarHBondContact OG-CA 3.46Å; L817-V936 HydrophobicContact CB-CG2 4.08Å; L817-V936 HydrophobicContact CD2-CG2 3.94Å; S894-V936 VanDerWaalsContact OG-CG1 3.26Å; S894-V936 WeakPolarHBondContact OG-CG1 3.22Å; A932-V936 WeakPolarHBondContact O-CG2 3.49Å; A932-V936 PolarHBondContact O-N 2.88Å; T933-V936 PolarHBondContact O-N 3.3Å; V936-A938 VanDerWaalsContact C-N 3.34Å; V936-A938 PolarHBondContact O-N 3.01Å; V936-S939 PolarHBondContact O-N 3.5Å; V936-T940 WeakPolarHBondContact O-CB 3.32Å; V936-T940 PolarHBondContact O-N 3.35Å; V936-T940 PolarHBondContact O-OG1 3.46Å
937V92.9Very high89.2Confident27 Ų2752.7 Ų52.716%0.16429%0.291CS..Hα-helixtrans-61.8-43.2178.8172.60000111.1M891 T933 A934 T940 K941M891-V937 HydrophobicContact CB-CG2 4.47Å; M891-V937 HydrophobicContact CG-CG1 4.22Å; M891-V937 HydrophobicContact CG-CG2 4.43Å; M891-V937 HydrophobicContact SD-CG1 4.01Å; T933-V937 WeakPolarHBondContact O-CG2 3.34Å; T933-V937 PolarHBondContact O-N 3.05Å; A934-V937 PolarHBondContact O-N 2.81Å; V937-T940 PolarHBondContact O-N 3.49Å; V937-K941 VanDerWaalsContact O-CB 3.31Å; V937-K941 WeakPolarHBondContact O-CB 3.42Å; V937-K941 PolarHBondContact O-N 3.07Å
938A89.9Confident88.2Confident59 Ų5948.7 Ų48.749%0.48828%0.28SS..Hα-helixtrans-63.3-45.5176.800000112.3A934 T935 V936 T940 K941 S942A934-A938 VanDerWaalsContact O-CB 3.32Å; A934-A938 WeakPolarHBondContact O-CB 3.37Å; A934-A938 PolarHBondContact O-N 3.46Å; T935-A938 PolarHBondContact O-N 3.38Å; V936-A938 VanDerWaalsContact C-N 3.34Å; V936-A938 PolarHBondContact O-N 3.01Å; A938-T940 VanDerWaalsContact C-N 3.35Å; A938-K941 PolarHBondContact O-N 3.44Å; A938-S942 WeakPolarHBondContact O-CB 3.24Å; A938-S942 PolarHBondContact O-N 3.37Å
939S91.3Very high86.5Confident15 Ų1552.5 Ų52.511%0.10529%0.294CS..Hα-helixtrans-64.4-40.4178.3-60.90000111.7T935 V936 G943T935-S939 VanDerWaalsContact O-CB 3.31Å; T935-S939 WeakPolarHBondContact O-CB 3.38Å; T935-S939 PolarHBondContact O-N 3.01Å; T935-S939 PolarHBondContact O-OG 2.95Å; V936-S939 PolarHBondContact O-N 3.5Å; S939-G943 PolarHBondContact O-N 2.99Å
940T91.1Very high84.6Confident0 Ų057.1 Ų57.10%032%0.322CS..Hα-helixtrans-66.1-44.7177.4-57.50000111.3F887 L890 M891 V936 V937 A938 G943 K944F887-T940 HydrophobicContact CB-CG2 3.84Å; F887-T940 HydrophobicContact CD1-CG2 3.85Å; F887-T940 HydrophobicContact CG-CG2 4.35Å; F887-T940 WeakPolarHBondContact O-CG2 3.49Å; L890-T940 HydrophobicContact CB-CG2 4.27Å; L890-T940 HydrophobicContact CD2-CG2 4.1Å; L890-T940 HydrophobicContact CG-CG2 4.35Å; M891-T940 HydrophobicContact CG-CG2 3.74Å; V936-T940 WeakPolarHBondContact O-CB 3.32Å; V936-T940 PolarHBondContact O-N 3.35Å; V936-T940 PolarHBondContact O-OG1 3.46Å; V937-T940 PolarHBondContact O-N 3.49Å; A938-T940 VanDerWaalsContact C-N 3.35Å; T940-G943 PolarHBondContact O-N 3.23Å; T940-K944 WeakPolarHBondContact O-CB 3.29Å; T940-K944 PolarHBondContact O-N 2.92Å
941K87.5Confident82.8Confident146 Ų14661.1 Ų61.164%0.63534%0.335SS*.Hα-helixtrans-66.3-42.8176.8-173.2177.9-178179.50112.6M891 V937 A938 G943 K944 S945M891-K941 HydrophobicContact SD-CB 4.49Å; V937-K941 VanDerWaalsContact O-CB 3.31Å; V937-K941 WeakPolarHBondContact O-CB 3.42Å; V937-K941 PolarHBondContact O-N 3.07Å; A938-K941 PolarHBondContact O-N 3.44Å; K941-G943 VanDerWaalsContact C-N 3.33Å; K941-K944 PolarHBondContact O-N 3.27Å; K941-S945 PolarHBondContact O-N 2.99Å
942S87.3Confident80.8Confident50 Ų5060 Ų6035%0.3534%0.338SS..Hα-helixtrans-65-39.7174.8-176.80000111.6A938 S945 Q946A938-S942 WeakPolarHBondContact O-CB 3.24Å; A938-S942 PolarHBondContact O-N 3.37Å; S942-S945 PolarHBondContact O-N 3.29Å; S942-Q946 WeakPolarHBondContact O-CG 3.28Å; S942-Q946 PolarHBondContact O-N 3.02Å; S942-Q946 VanDerWaalsContact O-N 3.12Å
943G85.3Confident79.1Confident0 Ų066.5 Ų66.50%037%0.368CS..Hα-helixtrans-62.7-43.5176.500000112.6S939 T940 K941 Q946 I947S939-G943 PolarHBondContact O-N 2.99Å; T940-G943 PolarHBondContact O-N 3.23Å; K941-G943 VanDerWaalsContact C-N 3.33Å; G943-Q946 PolarHBondContact O-N 2.94Å; G943-I947 WeakPolarHBondContact O-CG1 3.44Å; G943-I947 PolarHBondContact O-N 3.2Å; G943-I947 VanDerWaalsContact O-N 3.1Å
944K85.3Confident77.4Confident54 Ų5471.6 Ų71.624%0.23540%0.396CS..Hα-helixtrans-55-53.6173.8-175.9-176.3174.6-175.60111.9F887 E888 T940 K941 Q946 I947 E948F887-K944 HydrophobicContact CB-CB 4.09Å; F887-K944 HydrophobicContact CB-CD 4.28Å; F887-K944 HydrophobicContact CB-CG 4.32Å; F887-K944 HydrophobicContact CD1-CB 4.33Å; F887-K944 HydrophobicContact CD2-CB 3.97Å; F887-K944 HydrophobicContact CD2-CG 4.01Å; F887-K944 HydrophobicContact CG-CB 3.86Å; F887-K944 HydrophobicContact CG-CG 4.26Å; E888-K944 WeakPolarHBondContact OE1-CD 3.45Å; E888-K944 WeakPolarHBondContact OE1-CE 3.37Å; E888-K944 IonicContact OE1-NZ 3.49Å; E888-K944 PolarHBondContact OE1-NZ 2.85Å; T940-K944 WeakPolarHBondContact O-CB 3.29Å; T940-K944 PolarHBondContact O-N 2.92Å; K941-K944 PolarHBondContact O-N 3.27Å; K944-Q946 PolarHBondContact O-N 3.41Å; K944-I947 PolarHBondContact O-N 2.96Å; K944-E948 WeakPolarHBondContact CE-OE1 3.44Å; K944-E948 WeakPolarHBondContact CE-OE2 3.45Å; K944-E948 HydrophobicContact CG-CG 4.33Å; K944-E948 IonicContact NZ-OE1 2.89Å; K944-E948 WeakPolarHBondContact O-CB 3.43Å; K944-E948 WeakPolarHBondContact O-CG 3.49Å; K944-E948 PolarHBondContact O-N 3.19Å
945S81.2Confident76.2Confident56 Ų5673.7 Ų73.739%0.39239%0.394SS..Hα-helixtrans-58.8-44.9179.1-165.10000112K941 S942 I947 E948 D949K941-S945 PolarHBondContact O-N 2.99Å; S942-S945 PolarHBondContact O-N 3.29Å; S945-I947 VanDerWaalsContact C-N 3.28Å; S945-I947 PolarHBondContact O-N 2.93Å; S945-E948 PolarHBondContact O-N 3.12Å; S945-D949 WeakPolarHBondContact O-CB 3.19Å; S945-D949 PolarHBondContact O-N 3.49Å; S945-D949 PolarHBondContact OG-OD2 3.34Å
946Q79.3Confident75Confident71 Ų7176 Ų7633%0.33241%0.412SS..Hα-helixtrans-65.6-29.5-177.9-74.3175.4-6.100113.3I802 V806 S942 G943 K944 T950I802-Q946 HydrophobicContact CG2-CB 4.3Å; V806-Q946 HydrophobicContact CG2-CB 4.04Å; S942-Q946 WeakPolarHBondContact O-CG 3.28Å; S942-Q946 PolarHBondContact O-N 3.02Å; S942-Q946 VanDerWaalsContact O-N 3.12Å; G943-Q946 PolarHBondContact O-N 2.94Å; K944-Q946 PolarHBondContact O-N 3.41Å; Q946-T950 PolarHBondContact O-OG1 3.01Å
947I76.3Confident73.4Confident59 Ų5980.9 Ų80.930%0.30345%0.446SS..Hα-helixtrans-83.9-40.7176.9-69.3169.5000110.9V806 F887 G943 K944 S945V806-I947 HydrophobicContact CB-CD1 4.18Å; V806-I947 HydrophobicContact CG1-CD1 3.72Å; V806-I947 HydrophobicContact CG1-CG1 4.46Å; V806-I947 HydrophobicContact CG2-CD1 4.48Å; V806-I947 HydrophobicContact CG2-CG1 4.41Å; F887-I947 HydrophobicContact CE2-CD1 4.44Å; F887-I947 HydrophobicContact CZ-CD1 3.69Å; G943-I947 WeakPolarHBondContact O-CG1 3.44Å; G943-I947 PolarHBondContact O-N 3.2Å; G943-I947 VanDerWaalsContact O-N 3.1Å; K944-I947 PolarHBondContact O-N 2.96Å; S945-I947 VanDerWaalsContact C-N 3.28Å; S945-I947 PolarHBondContact O-N 2.93Å
948E69.5Low72.6Confident103 Ų10382 Ų8248%0.48145%0.45SS..Hα-helixtrans-73.2-34.3179.8-70.4178.9168.100113.3K944 S945 T950 E951K944-E948 WeakPolarHBondContact CE-OE1 3.44Å; K944-E948 WeakPolarHBondContact CE-OE2 3.45Å; K944-E948 HydrophobicContact CG-CG 4.33Å; K944-E948 IonicContact NZ-OE1 2.89Å; K944-E948 WeakPolarHBondContact O-CB 3.43Å; K944-E948 WeakPolarHBondContact O-CG 3.49Å; K944-E948 PolarHBondContact O-N 3.19Å; S945-E948 PolarHBondContact O-N 3.12Å; E948-T950 PolarHBondContact O-N 3.44Å; E948-E951 PolarHBondContact O-N 3.08Å; E948-E951 VanDerWaalsContact O-N 3.08Å
949D58.1Low71.9Confident109 Ų10983 Ų8358%0.58345%0.45SS*.THydrogen-bonded Turntrans-67.3-7.9178.4-72.2-33.9000113.2S945S945-D949 WeakPolarHBondContact O-CB 3.19Å; S945-D949 PolarHBondContact O-N 3.49Å; S945-D949 PolarHBondContact OG-OD2 3.34Å
950T54.5Low71.1Confident96 Ų9688.2 Ų88.259%0.58948%0.476SS*.THydrogen-bonded Turntrans-83.7-14.5174.9-47.40000112.1Q946 E948 T952Q946-T950 PolarHBondContact O-OG1 3.01Å; E948-T950 PolarHBondContact O-N 3.44Å; T950-T952 VanDerWaalsContact C-N 3.27Å; T950-T952 PolarHBondContact O-N 3.36Å
951E53.5Low70.3Confident171 Ų17193.5 Ų93.580%0.79951%0.509SS*.  trans-87.649.4173-67.5-170.7163.100112.1E948 M953E948-E951 PolarHBondContact O-N 3.08Å; E948-E951 VanDerWaalsContact O-N 3.08Å; E951-M953 PolarHBondContact O-N 2.82Å
952T50.5Low69.8Low118 Ų11891 Ų9172%0.72450%0.499SS*.  trans-67.2119.1175.147.30000110.8T950 D954T950-T952 VanDerWaalsContact C-N 3.27Å; T950-T952 PolarHBondContact O-N 3.36Å; T952-D954 PolarHBondContact O-N 2.94Å; T952-D954 VanDerWaalsContact O-N 3.12Å
953M58.7Low69.3Low145 Ų14591.6 Ų91.671%0.71450%0.498SS*.  trans-58.8111.8177.8-68.9-167.1-83.900111.5E951 F955E951-M953 PolarHBondContact O-N 2.82Å; M953-F955 HydrophobicContact CB-CD2 4.36Å; M953-F955 HydrophobicContact CB-CE1 4.05Å; M953-F955 HydrophobicContact CB-CE2 3.6Å; M953-F955 HydrophobicContact CB-CZ 3.42Å; M953-F955 VanDerWaalsContact CB-CZ 3.42Å; M953-F955 HydrophobicContact CE-CZ 3.87Å; M953-F955 HydrophobicContact CG-CZ 4.21Å; M953-F955 VanDerWaalsContact O-CD2 3.29Å; M953-F955 WeakPolarHBondContact O-CD2 3.44Å; M953-F955 WeakPolarHBondContact O-CE2 3.31Å; M953-F955 PolarHBondContact O-N 3.45Å; M953-F955 HydrophobicContact SD-CE1 4.22Å; M953-F955 HydrophobicContact SD-CZ 3.8Å
954D57Low68.9Low112 Ų11297.6 Ų97.660%0.59952%0.524SS*.  trans-84.9102.4174.6-175.56.7000110.7T952 S956T952-D954 PolarHBondContact O-N 2.94Å; T952-D954 VanDerWaalsContact O-N 3.12Å; D954-S956 VanDerWaalsContact C-N 3.32Å; D954-S956 VanDerWaalsContact CG-OG 3.29Å; D954-S956 WeakPolarHBondContact OD1-CB 3.48Å; D954-S956 PolarHBondContact OD1-N 3.44Å; D954-S956 PolarHBondContact OD1-OG 3.22Å; D954-S956 PolarHBondContact OD2-OG 3.35Å
955F64.1Low68.7Low105 Ų105103.5 Ų103.546%0.46155%0.545SS..  trans-87-0.7178.7-58.3-73.3000113.4M953 S957 M958M953-F955 HydrophobicContact CB-CD2 4.36Å; M953-F955 HydrophobicContact CB-CE1 4.05Å; M953-F955 HydrophobicContact CB-CE2 3.6Å; M953-F955 HydrophobicContact CB-CZ 3.42Å; M953-F955 VanDerWaalsContact CB-CZ 3.42Å; M953-F955 HydrophobicContact CE-CZ 3.87Å; M953-F955 HydrophobicContact CG-CZ 4.21Å; M953-F955 VanDerWaalsContact O-CD2 3.29Å; M953-F955 WeakPolarHBondContact O-CD2 3.44Å; M953-F955 WeakPolarHBondContact O-CE2 3.31Å; M953-F955 PolarHBondContact O-N 3.45Å; M953-F955 HydrophobicContact SD-CE1 4.22Å; M953-F955 HydrophobicContact SD-CZ 3.8Å; F955-S957 PolarHBondContact O-N 2.81Å; F955-S957 VanDerWaalsContact O-N 3.15Å; F955-M958 PolarHBondContact O-N 3.41Å
956S68.9Low68.6Low101 Ų101105.1 Ų105.171%0.70655%0.546SS*.THydrogen-bonded Turntrans-67.2-18.5-167.766.30000114.4D954D954-S956 VanDerWaalsContact C-N 3.32Å; D954-S956 VanDerWaalsContact CG-OG 3.29Å; D954-S956 WeakPolarHBondContact OD1-CB 3.48Å; D954-S956 PolarHBondContact OD1-N 3.44Å; D954-S956 PolarHBondContact OD1-OG 3.22Å; D954-S956 PolarHBondContact OD2-OG 3.35Å
957S60.3Low68.5Low101 Ų101106.7 Ų106.771%0.70655%0.554SS**THydrogen-bonded Turntrans-109.77.4179.867.70000115.3F955F955-S957 PolarHBondContact O-N 2.81Å; F955-S957 VanDerWaalsContact O-N 3.15Å
958M74.8Confident68.5Low50 Ų50109.9 Ų109.925%0.24657%0.569CS.*  trans-103.8138.6-170.8-64.3-164.666.200113.8F955 Q962 I963 Q966F955-M958 PolarHBondContact O-N 3.41Å; M958-Q962 HydrophobicContact CE-CB 3.55Å; M958-I963 HydrophobicContact CB-CD1 4.47Å; M958-I963 HydrophobicContact CB-CG1 4.05Å; M958-Q966 HydrophobicContact CE-CG 4.1Å; M958-Q966 PolarHBondContact SD-OE1 2.88Å; M958-Q966 VanDerWaalsContact SD-OE1 3.33Å
959T75.4Confident69Low80 Ų80109.4 Ų109.449%0.49157%0.569SS.*  trans-81.9155.6174.562.90000111.7T961 Q962 I963T959-T961 PolarHBondContact O-N 3.33Å; T959-T961 VanDerWaalsContact O-N 3.12Å; T959-Q962 WeakPolarHBondContact O-CA 3.33Å; T959-Q962 WeakPolarHBondContact O-CB 3.5Å; T959-Q962 PolarHBondContact O-N 3.44Å; T959-Q962 VanDerWaalsContact OG1-CD 3.26Å; T959-Q962 WeakPolarHBondContact OG1-CG 3.47Å; T959-Q962 PolarHBondContact OG1-OE1 2.86Å; T959-I963 PolarHBondContact O-N 2.88Å
960L73.9Confident69.9Low126 Ų126106.7 Ų106.766%0.6656%0.562SS**Hα-helixtrans-52.3-37.9-178.9-176.467.8000113.6I963 K964L960-I963 PolarHBondContact O-N 3.23Å; L960-K964 PolarHBondContact O-N 2.97Å
961T75.7Confident70.5Confident111 Ų111107.1 Ų107.168%0.68156%0.558SS**Hα-helixtrans-70.4-35.2178.3-51.90000112T959 R965T959-T961 PolarHBondContact O-N 3.33Å; T959-T961 VanDerWaalsContact O-N 3.12Å; T961-R965 WeakPolarHBondContact O-CB 3.46Å; T961-R965 PolarHBondContact O-N 3.48Å
962Q76.3Confident72Confident93 Ų93102.7 Ų102.744%0.43554%0.542SS..Hα-helixtrans-70.3-37175.4-67.5165.4-42.800111.2M958 T959 R965 Q966M958-Q962 HydrophobicContact CE-CB 3.55Å; T959-Q962 WeakPolarHBondContact O-CA 3.33Å; T959-Q962 WeakPolarHBondContact O-CB 3.5Å; T959-Q962 PolarHBondContact O-N 3.44Å; T959-Q962 VanDerWaalsContact OG1-CD 3.26Å; T959-Q962 WeakPolarHBondContact OG1-CG 3.47Å; T959-Q962 PolarHBondContact OG1-OE1 2.86Å; Q962-R965 PolarHBondContact O-N 3.4Å; Q962-Q966 PolarHBondContact O-N 3.37Å
963I77.6Confident73.2Confident63 Ų63101.4 Ų101.432%0.32353%0.53SS..Hα-helixtrans-63.4-47.7173.9-65.4172.9000110.4M958 T959 L960 R965 Q966 E967M958-I963 HydrophobicContact CB-CD1 4.47Å; M958-I963 HydrophobicContact CB-CG1 4.05Å; T959-I963 PolarHBondContact O-N 2.88Å; L960-I963 PolarHBondContact O-N 3.23Å; I963-R965 VanDerWaalsContact C-N 3.29Å; I963-R965 PolarHBondContact O-N 3.24Å; I963-Q966 PolarHBondContact O-N 3.15Å; I963-E967 WeakPolarHBondContact O-CB 3.45Å; I963-E967 PolarHBondContact O-N 3.18Å
964K76Confident74Confident125 Ų12598 Ų9854%0.54352%0.517SS..Hα-helixtrans-60.6-37175.8-82.6-175.4173.2-174.30113.2L960 E967 M968L960-K964 PolarHBondContact O-N 2.97Å; K964-E967 PolarHBondContact O-N 3.11Å; K964-M968 WeakPolarHBondContact O-CG 3.25Å; K964-M968 PolarHBondContact O-N 2.97Å
965R81Confident74.9Confident179 Ų17997.8 Ų97.868%0.67552%0.516SS*.Hα-helixtrans-66.2-45.9175.4-175.9173.7179.2164.91.6111.2T961 Q962 I963 E967 M968 D969T961-R965 WeakPolarHBondContact O-CB 3.46Å; T961-R965 PolarHBondContact O-N 3.48Å; Q962-R965 PolarHBondContact O-N 3.4Å; I963-R965 VanDerWaalsContact C-N 3.29Å; I963-R965 PolarHBondContact O-N 3.24Å; R965-E967 VanDerWaalsContact C-N 3.3Å; R965-E967 PolarHBondContact O-N 3.36Å; R965-M968 PolarHBondContact O-N 3.23Å; R965-D969 WeakPolarHBondContact O-CB 3.37Å; R965-D969 PolarHBondContact O-N 3.41Å
966Q79.4Confident75.6Confident90 Ų9096.9 Ų96.942%0.42151%0.513SS..Hα-helixtrans-64.2-34.4174.9-79-173.4-22.300112.8M958 Q962 I963 D969 A970M958-Q966 HydrophobicContact CE-CG 4.1Å; M958-Q966 PolarHBondContact SD-OE1 2.88Å; M958-Q966 VanDerWaalsContact SD-OE1 3.33Å; Q962-Q966 PolarHBondContact O-N 3.37Å; I963-Q966 PolarHBondContact O-N 3.15Å; Q966-D969 PolarHBondContact O-N 3.49Å; Q966-A970 WeakPolarHBondContact O-CB 3.34Å; Q966-A970 PolarHBondContact O-N 3.4Å
967E77.8Confident76.2Confident104 Ų10496.4 Ų96.449%0.48650%0.502SS..Hα-helixtrans-62.5-47.2173.1-176-173.2174.700111I963 K964 R965 A970 Q971I963-E967 WeakPolarHBondContact O-CB 3.45Å; I963-E967 PolarHBondContact O-N 3.18Å; K964-E967 PolarHBondContact O-N 3.11Å; R965-E967 VanDerWaalsContact C-N 3.3Å; R965-E967 PolarHBondContact O-N 3.36Å; E967-A970 PolarHBondContact O-N 3.42Å; E967-Q971 VanDerWaalsContact O-CG 3.31Å; E967-Q971 WeakPolarHBondContact O-CG 3.46Å; E967-Q971 PolarHBondContact O-N 3.46Å
968M75.9Confident76.6Confident126 Ų12697.1 Ų97.162%0.62149%0.494SS*.Hα-helixtrans-63.1-44.5175-72.1-178.875.700111.7K964 R965 A970 Q971 V972K964-M968 WeakPolarHBondContact O-CG 3.25Å; K964-M968 PolarHBondContact O-N 2.97Å; R965-M968 PolarHBondContact O-N 3.23Å; M968-A970 VanDerWaalsContact C-N 3.29Å; M968-A970 PolarHBondContact O-N 3.17Å; M968-Q971 PolarHBondContact O-N 2.9Å; M968-V972 WeakPolarHBondContact O-CG2 3.43Å; M968-V972 PolarHBondContact O-N 2.85Å
969D79.1Confident77Confident92 Ų9298.3 Ų98.349%0.49250%0.504SS..Hα-helixtrans-62.7-37.3177.4-67.3-22.7000111.1R965 Q966 V972 L973R965-D969 WeakPolarHBondContact O-CB 3.37Å; R965-D969 PolarHBondContact O-N 3.41Å; Q966-D969 PolarHBondContact O-N 3.49Å; D969-V972 PolarHBondContact O-N 3.08Å; D969-L973 WeakPolarHBondContact O-CB 3.29Å; D969-L973 PolarHBondContact O-N 2.91Å
970A78.3Confident77.3Confident52 Ų52101.2 Ų101.243%0.4351%0.506SS..Hα-helixtrans-69-40.1174.300000112.3Q966 E967 M968 V972 L973 V974Q966-A970 WeakPolarHBondContact O-CB 3.34Å; Q966-A970 PolarHBondContact O-N 3.4Å; E967-A970 PolarHBondContact O-N 3.42Å; M968-A970 VanDerWaalsContact C-N 3.29Å; M968-A970 PolarHBondContact O-N 3.17Å; A970-V972 VanDerWaalsContact C-N 3.34Å; A970-L973 PolarHBondContact O-N 3.21Å; A970-V974 VanDerWaalsContact O-CG2 3.32Å; A970-V974 WeakPolarHBondContact O-CG2 3.43Å; A970-V974 PolarHBondContact O-N 3.45Å
971Q67.3Low77.4Confident106 Ų10699.6 Ų99.650%0.49550%0.498SS..Hα-helixtrans-62.2-41.2173.9-74.9172.93.200111.7E967 M968 V974 L975E967-Q971 VanDerWaalsContact O-CG 3.31Å; E967-Q971 WeakPolarHBondContact O-CG 3.46Å; E967-Q971 PolarHBondContact O-N 3.46Å; M968-Q971 PolarHBondContact O-N 2.9Å; Q971-V974 PolarHBondContact O-N 3.4Å; Q971-L975 WeakPolarHBondContact O-CG 3.39Å; Q971-L975 PolarHBondContact O-N 3.33Å; Q971-L975 VanDerWaalsContact O-N 3.15Å
972V84.9Confident77.3Confident78 Ų7898.8 Ų98.847%0.47349%0.486SS..Hα-helixtrans-62.1-45.6173.2172.60000110.4M968 D969 A970 V974 L975 E976M968-V972 WeakPolarHBondContact O-CG2 3.43Å; M968-V972 PolarHBondContact O-N 2.85Å; D969-V972 PolarHBondContact O-N 3.08Å; A970-V972 VanDerWaalsContact C-N 3.34Å; V972-V974 VanDerWaalsContact C-N 3.32Å; V972-V974 PolarHBondContact O-N 2.88Å; V972-L975 PolarHBondContact O-N 2.95Å; V972-E976 PolarHBondContact O-N 3.5Å
973L75.7Confident77.7Confident90 Ų90100.6 Ų100.647%0.47149%0.493SS..Hα-helixtrans-62.4-37.8178.1-173.463.8000112.3D969 A970 E976 L977D969-L973 WeakPolarHBondContact O-CB 3.29Å; D969-L973 PolarHBondContact O-N 2.91Å; A970-L973 PolarHBondContact O-N 3.21Å; L973-E976 PolarHBondContact O-N 2.97Å; L973-L977 HydrophobicContact CD1-CG 4.42Å; L973-L977 HydrophobicContact CG-CD1 4.04Å; L973-L977 HydrophobicContact CG-CG 4.38Å; L973-L977 WeakPolarHBondContact O-CB 3.46Å; L973-L977 VanDerWaalsContact O-CG 3.22Å; L973-L977 WeakPolarHBondContact O-CG 3.4Å; L973-L977 PolarHBondContact O-N 3.23Å
974V73.8Confident77.7Confident74 Ų74102.7 Ų102.745%0.44850%0.501SS..Hα-helixtrans-59.5-49.4174.2167.20000110.6A970 Q971 V972 E976 L977 E978A970-V974 VanDerWaalsContact O-CG2 3.32Å; A970-V974 WeakPolarHBondContact O-CG2 3.43Å; A970-V974 PolarHBondContact O-N 3.45Å; Q971-V974 PolarHBondContact O-N 3.4Å; V972-V974 VanDerWaalsContact C-N 3.32Å; V972-V974 PolarHBondContact O-N 2.88Å; V974-E976 VanDerWaalsContact C-N 3.32Å; V974-E976 PolarHBondContact O-N 3.02Å; V974-L977 PolarHBondContact O-N 3.02Å; V974-E978 HydrophobicContact CG1-CG 4.43Å; V974-E978 WeakPolarHBondContact O-CG 3.22Å; V974-E978 PolarHBondContact O-N 2.95Å
975L75.9Confident77.4Confident108 Ų108104.1 Ų104.157%0.56550%0.503SS*.Hα-helixtrans-62.1-39.4178.4-69.1170.2000112.3Q971 V972 T979Q971-L975 WeakPolarHBondContact O-CG 3.39Å; Q971-L975 PolarHBondContact O-N 3.33Å; Q971-L975 VanDerWaalsContact O-N 3.15Å; V972-L975 PolarHBondContact O-N 2.95Å; L975-T979 WeakPolarHBondContact O-CB 3.37Å; L975-T979 PolarHBondContact O-N 2.96Å; L975-T979 VanDerWaalsContact O-N 3.08Å; L975-T979 PolarHBondContact O-OG1 3.22Å
976E80.3Confident77.2Confident85 Ų85100.6 Ų100.640%0.39749%0.494SS..Hα-helixtrans-64-42.8174.4-74-170-172.800112.2V972 L973 V974 T979 R980V972-E976 PolarHBondContact O-N 3.5Å; L973-E976 PolarHBondContact O-N 2.97Å; V974-E976 VanDerWaalsContact C-N 3.32Å; V974-E976 PolarHBondContact O-N 3.02Å; E976-T979 PolarHBondContact O-N 3.27Å; E976-R980 WeakPolarHBondContact O-CB 3.49Å; E976-R980 WeakPolarHBondContact O-CG 3.46Å; E976-R980 PolarHBondContact O-N 3.46Å; E976-R980 IonicContact OE2-NH2 3.11Å; E976-R980 PolarHBondContact OE2-NH2 2.68Å; E976-R980 VanDerWaalsContact OE2-NH2 3.11Å
977L80.1Confident77.3Confident92 Ų92103 Ų10348%0.48250%0.5SS..Hα-helixtrans-68.4-39.8179.3-73.3172.7000112L973 V974 T979 R980 L981L973-L977 HydrophobicContact CD1-CG 4.42Å; L973-L977 HydrophobicContact CG-CD1 4.04Å; L973-L977 HydrophobicContact CG-CG 4.38Å; L973-L977 WeakPolarHBondContact O-CB 3.46Å; L973-L977 VanDerWaalsContact O-CG 3.22Å; L973-L977 WeakPolarHBondContact O-CG 3.4Å; L973-L977 PolarHBondContact O-N 3.23Å; V974-L977 PolarHBondContact O-N 3.02Å; L977-T979 VanDerWaalsContact C-N 3.33Å; L977-T979 PolarHBondContact O-N 3.01Å; L977-R980 PolarHBondContact O-N 2.86Å; L977-L981 VanDerWaalsContact O-CB 3.29Å; L977-L981 WeakPolarHBondContact O-CB 3.28Å; L977-L981 PolarHBondContact O-N 3.27Å
978E70.3Confident76.6Confident115 Ų115102 Ų10254%0.53750%0.497SS..Hα-helixtrans-60.7-43.7173.3-74.1178.1163.200111.2V974 L981 Q982V974-E978 HydrophobicContact CG1-CG 4.43Å; V974-E978 WeakPolarHBondContact O-CG 3.22Å; V974-E978 PolarHBondContact O-N 2.95Å; E978-L981 PolarHBondContact O-N 2.88Å; E978-Q982 PolarHBondContact O-N 3.47Å
979T82.4Confident76.1Confident75 Ų7598 Ų9846%0.4649%0.487SS..Hα-helixtrans-64.4-43.4176.3-56.50000111.7L975 E976 L977 Q982 K983L975-T979 WeakPolarHBondContact O-CB 3.37Å; L975-T979 PolarHBondContact O-N 2.96Å; L975-T979 VanDerWaalsContact O-N 3.08Å; L975-T979 PolarHBondContact O-OG1 3.22Å; E976-T979 PolarHBondContact O-N 3.27Å; L977-T979 VanDerWaalsContact C-N 3.33Å; L977-T979 PolarHBondContact O-N 3.01Å; T979-Q982 PolarHBondContact O-N 3.38Å; T979-K983 WeakPolarHBondContact O-CG 3.49Å; T979-K983 PolarHBondContact O-N 2.95Å
980R82.5Confident75.9Confident142 Ų14299.9 Ų99.954%0.53649%0.493SS..Hα-helixtrans-65.6-40.2176.5-74178.6-164.8168.412.7111.8E976 L977 Q982 K983 E984E976-R980 WeakPolarHBondContact O-CB 3.49Å; E976-R980 WeakPolarHBondContact O-CG 3.46Å; E976-R980 PolarHBondContact O-N 3.46Å; E976-R980 IonicContact OE2-NH2 3.11Å; E976-R980 PolarHBondContact OE2-NH2 2.68Å; E976-R980 VanDerWaalsContact OE2-NH2 3.11Å; L977-R980 PolarHBondContact O-N 2.86Å; R980-Q982 VanDerWaalsContact C-N 3.33Å; R980-Q982 PolarHBondContact O-N 3.29Å; R980-K983 PolarHBondContact O-N 2.94Å; R980-E984 WeakPolarHBondContact O-CG 3.41Å; R980-E984 PolarHBondContact O-N 3.46Å
981L74.6Confident75.3Confident92 Ų92102.2 Ų102.248%0.48250%0.498SS..Hα-helixtrans-59.9-44.5176.8179.165.9000111.2L977 E978 E984 R985L977-L981 VanDerWaalsContact O-CB 3.29Å; L977-L981 WeakPolarHBondContact O-CB 3.28Å; L977-L981 PolarHBondContact O-N 3.27Å; E978-L981 PolarHBondContact O-N 2.88Å; L981-E984 PolarHBondContact O-N 3.43Å; L981-R985 WeakPolarHBondContact O-CG 3.4Å; L981-R985 PolarHBondContact O-N 3Å
982Q75.4Confident75.1Confident94 Ų94104.3 Ų104.344%0.43950%0.501SS..Hα-helixtrans-61.8-45.6177.6-176.657.925.500111.6E978 T979 R980 E984 R985 E986E978-Q982 PolarHBondContact O-N 3.47Å; T979-Q982 PolarHBondContact O-N 3.38Å; R980-Q982 VanDerWaalsContact C-N 3.33Å; R980-Q982 PolarHBondContact O-N 3.29Å; Q982-E984 PolarHBondContact O-N 3.32Å; Q982-R985 WeakPolarHBondContact O-CB 3.48Å; Q982-R985 PolarHBondContact O-N 2.92Å; Q982-E986 PolarHBondContact NE2-OE1 3.47Å; Q982-E986 PolarHBondContact O-N 3.17Å
983K83.1Confident74.2Confident130 Ų130107.1 Ų107.157%0.56551%0.507SS*.Hα-helixtrans-62.6-42.4176.8-72.3178.8178.5-179.10113.2T979 R980 R985 E986 R987T979-K983 WeakPolarHBondContact O-CG 3.49Å; T979-K983 PolarHBondContact O-N 2.95Å; R980-K983 PolarHBondContact O-N 2.94Å; K983-R985 VanDerWaalsContact C-N 3.33Å; K983-R985 PolarHBondContact O-N 3.49Å; K983-E986 PolarHBondContact O-N 2.86Å; K983-R987 WeakPolarHBondContact O-CB 3.31Å; K983-R987 PolarHBondContact O-N 2.93Å
984E77.4Confident73.8Confident108 Ų108109.1 Ų109.151%0.50551%0.512SS..Hα-helixtrans-68.8-31.3177.7-71.4-59.6149.300112.1R980 L981 Q982 R987 L988R980-E984 WeakPolarHBondContact O-CG 3.41Å; R980-E984 PolarHBondContact O-N 3.46Å; L981-E984 PolarHBondContact O-N 3.43Å; Q982-E984 PolarHBondContact O-N 3.32Å; E984-R987 IonicContact OE1-NH1 3.77Å; E984-L988 VanDerWaalsContact O-CB 3.25Å; E984-L988 WeakPolarHBondContact O-CB 3.39Å; E984-L988 PolarHBondContact O-N 3.45Å
985R71.4Confident72.8Confident155 Ų155111.3 Ų111.359%0.58552%0.517SS*.Hα-helixtrans-65.1-43.3171.5-76.9174.5173.5175.6-0.9112.2L981 Q982 K983 L988 G989L981-R985 WeakPolarHBondContact O-CG 3.4Å; L981-R985 PolarHBondContact O-N 3Å; Q982-R985 WeakPolarHBondContact O-CB 3.48Å; Q982-R985 PolarHBondContact O-N 2.92Å; K983-R985 VanDerWaalsContact C-N 3.33Å; K983-R985 PolarHBondContact O-N 3.49Å; R985-L988 PolarHBondContact O-N 2.96Å; R985-G989 PolarHBondContact O-N 3.07Å
986E75.6Confident71.6Confident105 Ų105114.5 Ų114.549%0.49152%0.523SS..Hα-helixtrans-61-50.1175.1-73.6164.9-168.500110.6Q982 K983 L988 G989 E990Q982-E986 PolarHBondContact NE2-OE1 3.47Å; Q982-E986 PolarHBondContact O-N 3.17Å; K983-E986 PolarHBondContact O-N 2.86Å; E986-L988 VanDerWaalsContact C-N 3.35Å; E986-L988 PolarHBondContact O-N 2.98Å; E986-G989 WeakPolarHBondContact O-CA 3.19Å; E986-G989 PolarHBondContact O-N 2.93Å; E986-E990 PolarHBondContact O-N 3Å
987R81.3Confident70.5Confident141 Ų141115.2 Ų115.253%0.53253%0.526SS..Hα-helixtrans-59.8-40.9176.6-171.9-177.7-178.6-173.80.4113K983 E984 G989 E990 L991K983-R987 WeakPolarHBondContact O-CB 3.31Å; K983-R987 PolarHBondContact O-N 2.93Å; E984-R987 IonicContact OE1-NH1 3.77Å; R987-G989 VanDerWaalsContact C-N 3.31Å; R987-G989 PolarHBondContact O-N 3.07Å; R987-E990 PolarHBondContact O-N 3.35Å; R987-L991 HydrophobicContact CG-CD1 4.42Å; R987-L991 WeakPolarHBondContact O-CG 3.49Å; R987-L991 PolarHBondContact O-N 3.4Å
988L64Low69.2Low83 Ų83116.5 Ų116.544%0.43553%0.533SS..Hα-helixtrans-63.4-38.8174.9-178.964.8000111.3E984 R985 E986 L991 R992E984-L988 VanDerWaalsContact O-CB 3.25Å; E984-L988 WeakPolarHBondContact O-CB 3.39Å; E984-L988 PolarHBondContact O-N 3.45Å; R985-L988 PolarHBondContact O-N 2.96Å; E986-L988 VanDerWaalsContact C-N 3.35Å; E986-L988 PolarHBondContact O-N 2.98Å; L988-L991 PolarHBondContact O-N 3.4Å; L988-R992 WeakPolarHBondContact O-CB 3.15Å; L988-R992 WeakPolarHBondContact O-CG 3.24Å; L988-R992 PolarHBondContact O-N 2.88Å
989G64.8Low67.9Low40 Ų40113 Ų11341%0.41252%0.524SS..Hα-helixtrans-60.5-45.517200000112.4R985 E986 R987 R992 K993R985-G989 PolarHBondContact O-N 3.07Å; E986-G989 WeakPolarHBondContact O-CA 3.19Å; E986-G989 PolarHBondContact O-N 2.93Å; R987-G989 VanDerWaalsContact C-N 3.31Å; R987-G989 PolarHBondContact O-N 3.07Å; G989-R992 PolarHBondContact O-N 3.27Å; G989-K993 PolarHBondContact O-N 2.84Å
990E75.6Confident66.1Low132 Ų132110.5 Ų110.562%0.61751%0.513SS*.Hα-helixtrans-63.5-43.2176.2-69.1178.4170.600112.7E986 R987 R992 K993 K994E986-E990 PolarHBondContact O-N 3Å; R987-E990 PolarHBondContact O-N 3.35Å; E990-R992 VanDerWaalsContact C-N 3.35Å; E990-R992 PolarHBondContact O-N 3.41Å; E990-K993 WeakPolarHBondContact O-CB 3.36Å; E990-K993 PolarHBondContact O-N 3.32Å; E990-K994 PolarHBondContact O-N 3.1Å
991L64.6Low64.1Low101 Ų101107.3 Ų107.353%0.52951%0.509SS..Hα-helixtrans-62.9-41.4176.5-76.2171.3000111.7R987 L988 K994 H995R987-L991 HydrophobicContact CG-CD1 4.42Å; R987-L991 WeakPolarHBondContact O-CG 3.49Å; R987-L991 PolarHBondContact O-N 3.4Å; L988-L991 PolarHBondContact O-N 3.4Å; L991-K994 PolarHBondContact O-N 2.92Å; L991-H995 WeakPolarHBondContact O-CB 3.39Å; L991-H995 PolarHBondContact O-N 3.39Å
992R62.9Low62.1Low151 Ų151107.3 Ų107.357%0.5752%0.522SS*.Hα-helixtrans-63.1-43.3174-75.7173.1174.4175.8-1.4111.4L988 G989 E990 K994 H995 Y996L988-R992 WeakPolarHBondContact O-CB 3.15Å; L988-R992 WeakPolarHBondContact O-CG 3.24Å; L988-R992 PolarHBondContact O-N 2.88Å; G989-R992 PolarHBondContact O-N 3.27Å; E990-R992 VanDerWaalsContact C-N 3.35Å; E990-R992 PolarHBondContact O-N 3.41Å; R992-K994 PolarHBondContact O-N 3.28Å; R992-H995 WeakPolarHBondContact O-CB 3.4Å; R992-H995 PolarHBondContact O-N 2.82Å; R992-Y996 WeakPolarHBondContact O-CD2 3.4Å; R992-Y996 PolarHBondContact O-N 3.21Å
993K67.8Low60.2Low137 Ų137109.7 Ų109.760%0.59653%0.533SS*.Hα-helixtrans-58.3-48.1175.4-172.5-177.7175-171.10111.3G989 E990 H995 Y996 E997G989-K993 PolarHBondContact O-N 2.84Å; E990-K993 WeakPolarHBondContact O-CB 3.36Å; E990-K993 PolarHBondContact O-N 3.32Å; K993-H995 VanDerWaalsContact C-N 3.34Å; K993-H995 PolarHBondContact O-N 3.46Å; K993-Y996 PolarHBondContact O-N 2.89Å; K993-E997 VanDerWaalsContact CE-OE1 3.24Å; K993-E997 WeakPolarHBondContact CE-OE1 3.31Å; K993-E997 WeakPolarHBondContact O-CG 3.27Å; K993-E997 PolarHBondContact O-N 3.46Å
994K65.7Low58.1Low132 Ų132106.6 Ų106.657%0.57454%0.539SS*.Hα-helixtrans-63-36.4174.7-78.9-162173.9-169.50113.6E990 L991 R992 Y996 E997 L998E990-K994 PolarHBondContact O-N 3.1Å; L991-K994 PolarHBondContact O-N 2.92Å; R992-K994 PolarHBondContact O-N 3.28Å; K994-Y996 VanDerWaalsContact C-N 3.32Å; K994-E997 PolarHBondContact O-N 2.63Å; K994-L998 WeakPolarHBondContact O-CB 3.35Å; K994-L998 WeakPolarHBondContact O-CG 3.49Å; K994-L998 PolarHBondContact O-N 3.44Å
995H53.6Low56.5Low120 Ų120111 Ų11156%0.55655%0.551SS**Hα-helixtrans-61.4-42.4175.2-179.782.3000111.2L991 R992 K993 A999L991-H995 WeakPolarHBondContact O-CB 3.39Å; L991-H995 PolarHBondContact O-N 3.39Å; R992-H995 WeakPolarHBondContact O-CB 3.4Å; R992-H995 PolarHBondContact O-N 2.82Å; K993-H995 VanDerWaalsContact C-N 3.34Å; K993-H995 PolarHBondContact O-N 3.46Å; H995-A999 VanDerWaalsContact O-CB 3.22Å; H995-A999 WeakPolarHBondContact O-CB 3.42Å; H995-A999 PolarHBondContact O-N 3.06Å
996Y50.7Low54.9Low174 Ų174105.7 Ų105.768%0.68254%0.544SS*.Hα-helixtrans-66.8-39.1174.1-70.2-63.9000113R992 K993 K994 G1000R992-Y996 WeakPolarHBondContact O-CD2 3.4Å; R992-Y996 PolarHBondContact O-N 3.21Å; K993-Y996 PolarHBondContact O-N 2.89Å; K994-Y996 VanDerWaalsContact C-N 3.32Å; Y996-G1000 PolarHBondContact O-N 2.96Å; Y996-G1000 VanDerWaalsContact O-N 3.11Å
997E56.5Low53Low101 Ų101110.1 Ų110.147%0.47257%0.565SS.*Hα-helixtrans-62-46.8175-71.5166.6-176.400111.5K993 K994 G1000 V1001K993-E997 VanDerWaalsContact CE-OE1 3.24Å; K993-E997 WeakPolarHBondContact CE-OE1 3.31Å; K993-E997 WeakPolarHBondContact O-CG 3.27Å; K993-E997 PolarHBondContact O-N 3.46Å; K994-E997 PolarHBondContact O-N 2.63Å; E997-G1000 PolarHBondContact O-N 3.49Å; E997-V1001 WeakPolarHBondContact O-CG2 3.47Å; E997-V1001 PolarHBondContact O-N 2.81Å
998L53.8Low51.1Low118 Ų118112.7 Ų112.762%0.61858%0.583SS**Hα-helixtrans-71.2-34.5179.3-70.2170000113.1K994 G1000 V1001 A1002K994-L998 WeakPolarHBondContact O-CB 3.35Å; K994-L998 WeakPolarHBondContact O-CG 3.49Å; K994-L998 PolarHBondContact O-N 3.44Å; L998-G1000 VanDerWaalsContact C-N 3.28Å; L998-G1000 PolarHBondContact O-N 3.42Å; L998-V1001 PolarHBondContact O-N 2.83Å; L998-A1002 PolarHBondContact O-N 2.97Å
999A43.6Very low49.9Very low43 Ų43118 Ų11836%0.35561%0.606SS.*Hα-helixtrans-62.5-35.9172.600000111.6H995 E1003H995-A999 VanDerWaalsContact O-CB 3.22Å; H995-A999 WeakPolarHBondContact O-CB 3.42Å; H995-A999 PolarHBondContact O-N 3.06Å; A999-E1003 PolarHBondContact O-N 3.37Å
1000G42.6Very low48.6Very low21 Ų21125.6 Ų125.622%0.21663%0.631CS.*Hα-helixtrans-65.3-43.8171.800000113.1Y996 E997 L998 A1002 E1003 W1005Y996-G1000 PolarHBondContact O-N 2.96Å; Y996-G1000 VanDerWaalsContact O-N 3.11Å; E997-G1000 PolarHBondContact O-N 3.49Å; L998-G1000 VanDerWaalsContact C-N 3.28Å; L998-G1000 PolarHBondContact O-N 3.42Å; G1000-A1002 PolarHBondContact O-N 3.35Å; G1000-E1003 PolarHBondContact O-N 3.28Å; G1000-W1005 WeakPolarHBondContact O-CB 3.37Å; G1000-W1005 PolarHBondContact O-N 2.94Å
1001V40.5Very low47Very low75 Ų75122.2 Ų122.246%0.45563%0.631SS.*Hα-helixtrans-64.6-38.3178.8176.70000112.2E997 L998 E1003 G1004E997-V1001 WeakPolarHBondContact O-CG2 3.47Å; E997-V1001 PolarHBondContact O-N 2.81Å; L998-V1001 PolarHBondContact O-N 2.83Å; V1001-E1003 PolarHBondContact O-N 2.98Å; V1001-G1004 PolarHBondContact O-N 3.34Å
1002A33.8Very low45.6Very low93 Ų93124.7 Ų124.777%0.76965%0.65SS**Hα-helixtrans-67.7-20176.300000114L998 G1000 G1004L998-A1002 PolarHBondContact O-N 2.97Å; G1000-A1002 PolarHBondContact O-N 3.35Å; A1002-G1004 VanDerWaalsContact C-N 3.3Å
1003E36.1Very low44.3Very low143 Ų143125 Ų12567%0.66870%0.701SS**THydrogen-bonded Turntrans-89.410.1170.3-68.2-173.1170.100113A999 G1000 V1001A999-E1003 PolarHBondContact O-N 3.37Å; G1000-E1003 PolarHBondContact O-N 3.28Å; V1001-E1003 PolarHBondContact O-N 2.98Å
1004G38.6Very low43.1Very low66 Ų66124.5 Ų124.568%0.6871%0.707SS**THydrogen-bonded Turntrans95.319.3174.400000115.7V1001 A1002 G1006V1001-G1004 PolarHBondContact O-N 3.34Å; A1002-G1004 VanDerWaalsContact C-N 3.3Å; G1004-G1006 PolarHBondContact O-N 3.39Å
1005W43.4Very low41.9Very low199 Ų199124.1 Ų124.175%0.75471%0.714SS**  trans-96.137-175-62.651000114.1G1000G1000-W1005 WeakPolarHBondContact O-CB 3.37Å; G1000-W1005 PolarHBondContact O-N 2.94Å
1006G37.7Very low41.3Very low44 Ų44124.3 Ų124.345%0.45472%0.722SS.*  trans-171.367.3-177.400000115.6G1004G1004-G1006 PolarHBondContact O-N 3.39Å
1007E36.4Very low40.7Very low198 Ų198121.4 Ų121.493%0.92573%0.725SS**  trans-124.279.4147.9-74.8-170.6170.200108.1
1008E40.7Very low39.7Very low195 Ų195122.6 Ų122.691%0.91174%0.74SS**  trans-97.6112.6148.7-80.8-172.4165.300107.1E1010E1008-E1010 PolarHBondContact O-N 3.22Å
1009E38.3Very low38.8Very low194 Ų194122.9 Ų122.991%0.90775%0.749SS**  trans-58.5119.8172-67.8179.914200110.3
1010E38.8Very low38.5Very low201 Ų201128.6 Ų128.694%0.93978%0.777SS**  trans-117.1106.4153.4-85.3-162.9158.900110.6E1008E1008-E1010 PolarHBondContact O-N 3.22Å
1011G41.5Very low38.1Very low60 Ų60136.9 Ų136.962%0.61982%0.82SS**  trans123.4108.8135.100000117.3
1012T35.6Very low37.9Very low153 Ų153142.1 Ų142.194%0.93985%0.85SS**  139.1124.8113.352.60000113.4
1013G34.4Very low38.3Very low159 Ų159146.5 Ų146.5100%1.63986%0.858SS**  trans118.1016300000115.6

Retrieved 1,013 of 1,013 residues in 580.7 ms (Link to these results)

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